#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tka s PHE 4 N 0.00 3.23 0.00 2.61 0.08 -1.26 -5.08 117.98 117.56 1tka s PHE 4 Ca 0.00 0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.10 1tka s PHE 4 Cb 0.00 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1tka s PHE 4 CO 0.00 0.16 0.00 0.25 -0.10 0.00 0.00 175.22 175.53 1tka n THR 5 N 3.43 0.00 0.25 0.64 -2.24 -1.26 -5.03 114.28 110.07 1tka n THR 5 Ca -0.17 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.75 1tka n THR 5 Cb 0.52 -0.11 0.52 0.00 -2.10 0.00 0.00 70.33 69.16 1tka n THR 5 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1tka h ASP 6 N 0.00 0.00 1.48 3.42 5.19 -1.98 -2.06 116.42 122.47 1tka h ASP 6 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1tka h ASP 6 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1tka h ASP 6 CO 0.00 0.07 -0.34 -0.29 -3.12 0.00 0.00 179.24 175.56 1tka h ILE 7 N 0.00 0.00 -0.09 0.35 6.09 -1.98 0.12 117.51 122.00 1tka h ILE 7 Ca -0.00 -0.82 -0.17 0.00 -1.37 0.00 0.00 64.86 62.50 1tka h ILE 7 Cb 0.68 1.63 0.01 0.00 0.47 0.00 0.00 36.82 39.61 1tka h ILE 7 CO 0.01 0.00 -0.60 0.44 -3.07 0.00 0.00 178.15 174.93 1tka h ASP 8 N 0.00 0.69 -0.32 2.19 3.32 -1.79 0.34 116.42 120.84 1tka h ASP 8 Ca 0.00 -0.66 -0.00 0.00 0.02 0.00 0.00 57.03 56.39 1tka h ASP 8 Cb 0.91 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1tka h ASP 8 CO 0.00 1.24 0.18 0.11 -1.72 0.00 0.00 179.24 179.05 1tka h LYS 9 N 0.19 0.44 -0.97 3.56 1.57 -1.30 -1.36 116.57 118.71 1tka h LYS 9 Ca -0.05 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1tka h LYS 9 Cb 1.25 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.42 1tka h LYS 9 CO 0.12 0.36 0.63 1.25 -0.57 0.00 0.00 179.45 181.25 1tka h LEU 10 N 0.40 1.12 -0.87 2.94 5.85 -0.64 -2.78 115.31 121.33 1tka h LEU 10 Ca 0.11 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1tka h LEU 10 Cb 0.04 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 1tka h LEU 10 CO -0.02 0.82 0.37 0.00 -0.34 0.00 0.00 178.44 179.27 1tka h ALA 11 N 1.38 1.11 -0.08 1.25 0.00 -0.79 -1.72 119.26 120.41 1tka h ALA 11 Ca 0.35 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1tka h ALA 11 Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.32 1tka h ALA 11 CO -0.07 0.66 -0.54 0.28 0.00 0.00 0.00 179.25 179.58 1tka h VAL 12 N 1.18 1.36 0.00 0.00 2.07 -0.97 -2.09 116.25 117.79 1tka h VAL 12 Ca 0.28 -1.83 -0.14 0.00 0.82 0.00 0.00 66.70 65.83 1tka h VAL 12 Cb 0.15 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 1tka h VAL 12 CO -0.03 0.54 -0.66 0.28 0.02 0.00 0.00 177.57 177.72 1tka h SER 13 N 0.18 0.00 -0.08 0.57 0.02 -1.35 -2.18 113.55 110.71 1tka h SER 13 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1tka h SER 13 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1tka h SER 13 CO 0.08 0.66 -0.28 0.74 -1.14 0.00 0.00 176.83 176.89 1tka h THR 14 N 0.00 1.42 -0.51 -2.27 2.02 -1.17 -0.23 112.91 112.17 1tka h THR 14 Ca -0.01 -1.65 0.08 0.00 0.77 0.00 0.00 66.41 65.60 1tka h THR 14 Cb 1.25 2.26 -0.06 0.00 -1.74 0.00 0.00 68.15 69.86 1tka h THR 14 CO 0.09 0.47 0.15 0.40 0.37 0.00 0.00 175.52 177.00 1tka h ILE 15 N -0.15 0.77 0.33 3.11 2.04 -1.38 0.18 117.51 122.40 1tka h ILE 15 Ca -0.01 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1tka h ILE 15 Cb 0.91 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1tka h ILE 15 CO 0.06 0.06 -0.16 0.03 0.00 0.00 0.00 178.15 178.14 1tka h ARG 16 N 0.30 -0.42 0.00 2.37 3.08 -1.35 -2.00 114.38 116.35 1tka h ARG 16 Ca 0.25 0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.29 1tka h ARG 16 Cb 0.31 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1tka h ARG 16 CO -0.29 -0.16 -0.19 0.82 -1.07 0.00 0.00 179.97 179.08 1tka h ILE 17 N -0.65 0.42 -0.10 2.04 2.04 -0.77 -1.50 117.51 118.99 1tka h ILE 17 Ca -0.04 -1.17 -0.05 0.00 1.00 0.00 0.00 64.86 64.60 1tka h ILE 17 Cb 0.46 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.40 1tka h ILE 17 CO 0.07 0.19 -0.14 0.25 0.00 0.00 0.00 178.15 178.53 1tka h LEU 18 N 0.00 0.29 -1.45 1.44 5.85 -0.59 -0.67 115.31 120.18 1tka h LEU 18 Ca -0.00 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.16 1tka h LEU 18 Cb 0.85 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1tka h LEU 18 CO 0.03 0.75 -0.07 0.00 -0.34 0.00 0.00 178.44 178.81 1tka h ALA 19 N 0.55 1.55 0.31 1.25 0.00 -1.16 -1.94 119.26 119.82 1tka h ALA 19 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1tka h ALA 19 Cb 0.68 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1tka h ALA 19 CO 0.03 0.33 -0.15 0.28 0.00 0.00 0.00 179.25 179.74 1tka h VAL 20 N 0.27 0.71 -0.72 0.00 2.07 -1.12 -2.55 116.25 114.91 1tka h VAL 20 Ca 0.06 -0.47 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1tka h VAL 20 Cb 0.30 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 1tka h VAL 20 CO 0.01 0.09 0.35 0.44 0.02 0.00 0.00 177.57 178.49 1tka h ASP 21 N -0.68 0.45 -0.59 0.57 3.32 -0.64 -1.49 116.42 117.35 1tka h ASP 21 Ca -0.04 0.07 0.08 0.00 0.02 0.00 0.00 57.03 57.16 1tka h ASP 21 Cb 0.47 -0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 1tka h ASP 21 CO 0.07 0.25 0.24 0.74 -1.72 0.00 0.00 179.24 178.81 1tka h THR 22 N 0.59 0.81 0.15 0.35 2.02 -1.34 0.10 112.91 115.59 1tka h THR 22 Ca 0.36 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 1tka h THR 22 Cb 0.40 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1tka h THR 22 CO -0.29 0.08 -0.07 0.58 0.37 0.00 0.00 175.52 176.19 1tka h VAL 23 N 0.43 0.98 -0.29 3.16 2.07 -0.93 -2.44 116.25 119.23 1tka h VAL 23 Ca 0.29 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1tka h VAL 23 Cb 0.32 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1tka h VAL 23 CO -0.27 0.16 -0.15 0.28 0.02 0.00 0.00 177.57 177.60 1tka h SER 24 N -0.53 0.48 -0.21 0.57 0.02 -1.11 0.14 113.55 112.91 1tka h SER 24 Ca -0.02 -0.13 -0.20 0.00 -0.84 0.00 0.00 61.79 60.60 1tka h SER 24 Cb 0.41 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1tka h SER 24 CO 0.03 0.66 -0.65 0.50 -1.14 0.00 0.00 176.83 176.23 1tka h LYS 25 N 0.45 0.83 0.00 3.45 3.64 -0.85 -3.00 116.57 121.10 1tka h LYS 25 Ca 0.08 -0.59 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1tka h LYS 25 Cb 0.53 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1tka h LYS 25 CO 0.03 1.21 -0.15 0.00 -2.27 0.00 0.00 179.45 178.27 1tka h ALA 26 N 0.65 1.35 -5.81 5.00 0.00 -0.91 -3.46 119.26 116.08 1tka h ALA 26 Ca -0.01 -0.14 -0.38 0.00 0.00 0.00 0.00 54.91 54.37 1tka h ALA 26 Cb 1.26 -0.02 0.15 0.00 0.00 0.00 0.00 17.79 19.18 1tka h ALA 26 CO 0.14 0.19 -0.70 -1.71 0.00 0.00 0.00 179.25 177.17 1tka n ASN 27 N -3.77 -5.40 -3.63 0.00 2.85 0.44 -4.96 115.26 100.78 1tka n ASN 27 Ca -0.02 -0.56 -0.09 0.00 -0.11 0.00 0.00 54.58 53.80 1tka n ASN 27 Cb 0.26 -5.05 -0.07 0.00 1.24 0.00 0.00 39.78 36.16 1tka n ASN 27 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1tka s SER 28 N -3.56 -0.42 0.00 1.20 0.15 -1.10 -4.83 113.70 105.14 1tka s SER 28 Ca 0.46 0.79 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1tka s SER 28 Cb -0.20 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1tka s SER 28 CO 0.73 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.62 1tka n GLY 29 N 2.05 1.31 3.09 9.45 0.00 -1.26 -4.66 105.19 115.16 1tka n GLY 29 Ca -0.12 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 43.50 1tka n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tka s HIS 30 N -1.17 3.26 0.11 1.61 3.76 -1.26 -2.28 115.29 119.31 1tka s HIS 30 Ca 0.00 -2.23 -0.00 0.00 -0.15 0.00 0.00 55.06 52.67 1tka s HIS 30 Cb 0.00 -1.96 -0.20 0.00 1.11 0.00 0.00 32.58 31.53 1tka s HIS 30 CO 0.00 -0.86 1.23 -1.00 -0.85 0.00 0.00 174.74 173.26 1tka h PRO 31 N 7.81 0.20 0.00 8.40 0.13 -1.73 -3.41 132.00 143.39 1tka h PRO 31 Ca -0.20 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1tka h PRO 31 Cb 1.05 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1tka h PRO 31 CO 0.48 1.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.77 1tka n GLY 32 N 1.33 -2.91 0.27 1.56 0.00 -0.02 -1.56 105.19 103.86 1tka n GLY 32 Ca -0.05 0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.23 1tka n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka h ALA 33 N -1.54 0.79 -0.83 4.61 0.00 -1.85 -0.97 119.26 119.47 1tka h ALA 33 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.82 1tka h ALA 33 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 1tka h ALA 33 CO 0.00 0.40 0.50 -1.00 0.00 0.00 0.00 179.25 179.14 1tka h PRO 34 N 0.84 0.85 0.00 0.00 0.13 -1.79 -0.11 132.00 131.93 1tka h PRO 34 Ca 0.20 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 1tka h PRO 34 Cb 0.19 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 1tka h PRO 34 CO -0.02 0.57 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.11 1tka h LEU 35 N 0.88 0.00 0.00 1.56 3.38 -1.17 -2.33 115.31 117.63 1tka h LEU 35 Ca 0.37 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 58.00 1tka h LEU 35 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1tka h LEU 35 CO -0.20 0.14 -2.18 0.61 0.09 0.00 0.00 178.44 176.90 1tka n GLY 36 N -1.08 -0.99 0.07 0.83 0.00 -0.75 -4.37 105.19 98.90 1tka n GLY 36 Ca -0.03 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1tka n GLY 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1tka n MET 37 N -2.85 0.27 -0.26 1.61 2.81 -0.13 -4.44 117.12 114.13 1tka n MET 37 Ca -0.28 0.12 0.05 0.00 -1.81 0.00 0.00 57.70 55.78 1tka n MET 37 Cb 1.12 -1.71 0.18 0.00 -0.71 0.00 0.00 33.22 32.10 1tka n MET 37 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1tka h ALA 38 N 2.54 1.07 -0.72 3.04 0.00 -1.62 0.07 119.26 123.65 1tka h ALA 38 Ca 0.00 0.10 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1tka h ALA 38 Cb 0.73 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.45 1tka h ALA 38 CO 0.00 -0.18 -0.02 -1.35 0.00 0.00 0.00 179.25 177.70 1tka h PRO 39 N 0.48 0.09 0.00 0.00 0.11 -1.85 -1.87 132.00 128.95 1tka h PRO 39 Ca 0.41 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.40 1tka h PRO 39 Cb 0.60 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1tka h PRO 39 CO -0.38 0.06 -0.55 0.00 -0.21 0.00 0.00 178.00 176.92 1tka h ALA 40 N 1.68 0.92 -0.23 -0.75 0.00 -1.54 -1.61 119.26 117.73 1tka h ALA 40 Ca 0.38 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1tka h ALA 40 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1tka h ALA 40 CO -0.65 0.68 -0.11 0.00 0.00 0.00 0.00 179.25 179.17 1tka h ALA 41 N 1.45 0.33 0.96 0.00 0.00 -0.71 -1.98 119.26 119.31 1tka h ALA 41 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1tka h ALA 41 Cb 1.09 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1tka h ALA 41 CO 0.07 0.18 -0.48 1.25 0.00 0.00 0.00 179.25 180.27 1tka h HIS 42 N 0.20 -1.25 -0.39 0.00 6.17 -1.21 -1.09 115.15 117.58 1tka h HIS 42 Ca 0.05 -0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.14 1tka h HIS 42 Cb 0.61 0.42 -0.04 0.00 2.52 0.00 0.00 27.41 30.92 1tka h HIS 42 CO 0.06 -0.76 0.18 0.28 0.71 0.00 0.00 177.93 178.40 1tka h VAL 43 N -1.31 0.95 0.22 5.26 2.07 -1.34 -2.27 116.25 119.83 1tka h VAL 43 Ca -0.13 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 1tka h VAL 43 Cb 1.01 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1tka h VAL 43 CO 0.20 0.07 -0.10 0.25 0.02 0.00 0.00 177.57 178.01 1tka h LEU 44 N 0.37 -0.25 -1.72 2.57 5.85 -1.31 -3.03 115.31 117.79 1tka h LEU 44 Ca 0.17 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1tka h LEU 44 Cb 0.10 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1tka h LEU 44 CO -0.14 0.02 0.09 -0.50 -0.34 0.00 0.00 178.44 177.58 1tka h TRP 45 N -0.52 0.27 -0.02 1.25 4.06 -1.07 -0.20 115.95 119.71 1tka h TRP 45 Ca -0.03 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.93 1tka h TRP 45 Cb 0.39 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1tka h TRP 45 CO 0.00 0.21 0.02 0.77 -3.56 0.00 0.00 178.44 175.87 1tka h SER 46 N 0.28 0.00 -0.15 -3.49 0.02 -1.29 -2.04 113.55 106.88 1tka h SER 46 Ca 0.07 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1tka h SER 46 Cb 0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1tka h SER 46 CO -0.01 0.00 -0.27 0.00 -1.14 0.00 0.00 176.83 175.41 1tka n GLN 47 N -4.35 1.72 -4.05 3.45 -0.00 -0.12 -4.80 117.38 109.23 1tka n GLN 47 Ca -0.03 -3.17 -0.31 0.00 -0.00 0.00 0.00 57.00 53.50 1tka n GLN 47 Cb 0.11 -1.69 -0.06 0.00 -0.00 0.00 0.00 30.24 28.59 1tka n GLN 47 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1tka s MET 48 N -3.19 2.96 -0.35 2.61 -1.94 -0.77 -5.05 119.30 113.57 1tka s MET 48 Ca 0.40 -0.63 -0.10 0.00 -1.71 0.00 0.00 55.69 53.65 1tka s MET 48 Cb 0.37 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 34.46 1tka s MET 48 CO -0.03 0.58 0.17 0.50 -0.01 0.00 0.00 175.02 176.24 1tka s ARG 49 N -2.27 2.99 0.05 2.03 3.52 -1.26 -4.97 118.95 119.04 1tka s ARG 49 Ca 0.28 -0.96 -0.27 0.00 -0.13 0.00 0.00 55.73 54.66 1tka s ARG 49 Cb -0.12 -3.64 0.08 0.00 -1.56 0.00 0.00 34.95 29.71 1tka s ARG 49 CO 0.21 -0.59 0.70 0.00 -0.81 0.00 0.00 175.30 174.81 1tka s MET 50 N 1.56 1.09 -0.44 5.12 0.23 -1.26 -0.61 119.30 124.99 1tka s MET 50 Ca 0.03 -0.19 0.02 0.00 -1.03 0.00 0.00 55.69 54.51 1tka s MET 50 Cb -0.18 0.51 0.12 0.00 -1.53 0.00 0.00 34.83 33.74 1tka s MET 50 CO 0.06 -0.43 0.19 1.21 -2.03 0.00 0.00 175.02 174.01 1tka s ASN 51 N -2.15 4.79 0.44 -1.18 3.84 -1.26 -3.94 114.94 115.48 1tka s ASN 51 Ca -0.02 -2.46 0.31 0.00 0.21 0.00 0.00 52.86 50.90 1tka s ASN 51 Cb -0.01 -1.70 1.46 0.00 -0.55 0.00 0.00 41.25 40.45 1tka s ASN 51 CO -0.05 -0.37 1.60 -0.65 -2.79 0.00 0.00 177.10 174.85 1tka h PRO 52 N 7.30 0.04 0.00 0.43 0.11 -1.86 0.34 132.00 138.36 1tka h PRO 52 Ca -0.06 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1tka h PRO 52 Cb 0.98 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1tka h PRO 52 CO 0.62 0.03 -0.24 1.79 -0.21 0.00 0.00 178.00 179.99 1tka h THR 53 N 0.05 0.00 -3.06 -1.15 1.35 -1.94 -3.39 112.91 104.76 1tka h THR 53 Ca 0.85 -0.60 -0.60 0.00 -0.55 0.00 0.00 66.41 65.51 1tka h THR 53 Cb 2.70 1.45 -0.40 0.00 -1.73 0.00 0.00 68.15 70.17 1tka h THR 53 CO -0.45 0.00 -0.75 0.21 -0.25 0.00 0.00 175.52 174.28 1tka s ASN 54 N -4.77 3.83 0.00 5.36 3.04 0.12 -4.98 114.94 117.53 1tka s ASN 54 Ca 0.08 -2.11 0.14 0.00 0.04 0.00 0.00 52.86 51.00 1tka s ASN 54 Cb 0.11 -0.93 0.81 0.00 -1.54 0.00 0.00 41.25 39.70 1tka s ASN 54 CO 0.66 -0.34 1.25 -2.65 -3.04 0.00 0.00 177.10 172.97 1tka n PRO 55 N 4.22 0.42 -0.10 0.43 -0.02 -1.24 -3.14 135.00 135.56 1tka n PRO 55 Ca 0.04 0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.58 1tka n PRO 55 Cb 0.38 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.47 1tka n PRO 55 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1tka n ASP 56 N -1.01 2.48 -4.66 2.55 8.00 -1.26 -4.89 116.55 117.75 1tka n ASP 56 Ca 0.10 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.40 1tka n ASP 56 Cb 0.05 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 1tka n ASP 56 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1tka s TRP 57 N -0.94 1.45 0.52 1.24 -0.00 -1.19 -4.85 118.94 115.17 1tka s TRP 57 Ca 0.18 -0.31 0.21 0.00 -0.00 0.00 0.00 56.10 56.18 1tka s TRP 57 Cb 0.10 -4.18 1.42 0.00 -0.00 0.00 0.00 33.47 30.82 1tka s TRP 57 CO 0.14 -5.20 2.15 0.97 -0.00 0.00 0.00 176.95 175.01 1tka h ILE 58 N 5.59 0.83 -0.79 5.86 6.09 -1.94 -1.18 117.51 131.97 1tka h ILE 58 Ca -0.47 -0.17 -0.32 0.00 -1.37 0.00 0.00 64.86 62.52 1tka h ILE 58 Cb 1.22 1.10 -0.19 0.00 0.47 0.00 0.00 36.82 39.42 1tka h ILE 58 CO 0.94 0.05 0.38 -3.20 -3.07 0.00 0.00 178.15 173.25 1tka n ASN 59 N -4.18 4.19 -4.77 2.19 5.15 -1.26 -4.92 115.26 111.66 1tka n ASN 59 Ca -0.03 -3.42 -0.37 0.00 -0.60 0.00 0.00 54.58 50.16 1tka n ASN 59 Cb 0.13 -0.77 -0.02 0.00 -0.53 0.00 0.00 39.78 38.60 1tka n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tka s ARG 60 N -3.13 3.95 0.04 1.20 1.70 -0.45 -4.70 118.95 117.55 1tka s ARG 60 Ca 0.55 1.76 -0.30 0.00 -0.47 0.00 0.00 55.73 57.26 1tka s ARG 60 Cb 0.45 -2.54 -0.07 0.00 -0.57 0.00 0.00 34.95 32.22 1tka s ARG 60 CO 0.11 -0.39 1.48 -0.51 -1.08 0.00 0.00 175.30 174.92 1tka s ASP 61 N -1.30 6.77 0.18 -2.89 1.01 0.22 -4.73 116.67 115.92 1tka s ASP 61 Ca 0.60 2.26 -0.04 0.00 0.71 0.00 0.00 52.55 56.08 1tka s ASP 61 Cb -0.28 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.03 1tka s ASP 61 CO 0.35 -0.77 0.41 -0.13 0.21 0.00 0.00 175.17 175.24 1tka s ARG 62 N 2.33 3.60 -0.02 8.23 0.52 -0.24 -4.85 118.95 128.51 1tka s ARG 62 Ca 0.67 -0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.74 1tka s ARG 62 Cb -0.35 -2.81 0.02 0.00 0.52 0.00 0.00 34.95 32.34 1tka s ARG 62 CO 0.29 0.41 0.01 0.12 0.02 0.00 0.00 175.30 176.14 1tka s PHE 63 N -1.79 0.18 -0.04 -0.53 5.36 -1.25 -0.58 117.98 119.32 1tka s PHE 63 Ca 0.41 0.05 0.06 0.00 -0.96 0.00 0.00 56.93 56.49 1tka s PHE 63 Cb -0.12 -0.30 -0.01 0.00 -0.34 0.00 0.00 43.02 42.25 1tka s PHE 63 CO 0.27 -0.10 -0.23 0.08 -1.46 0.00 0.00 175.22 173.78 1tka s VAL 64 N 0.92 1.87 -0.72 3.12 1.01 0.75 -4.64 120.40 122.71 1tka s VAL 64 Ca -0.08 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1tka s VAL 64 Cb -0.12 -1.58 0.16 0.00 0.00 0.00 0.00 36.38 34.84 1tka s VAL 64 CO -0.02 0.53 0.76 -0.22 0.00 0.00 0.00 175.10 176.14 1tka s LEU 65 N -0.24 6.00 0.31 3.92 2.96 -1.26 -1.63 118.68 128.75 1tka s LEU 65 Ca 0.00 -2.07 0.01 0.00 -0.22 0.00 0.00 54.13 51.85 1tka s LEU 65 Cb -0.12 -2.27 0.51 0.00 0.50 0.00 0.00 46.19 44.81 1tka s LEU 65 CO 0.02 -0.86 1.90 -1.28 -1.32 0.00 0.00 176.35 174.82 1tka h SER 66 N 8.55 0.73 -0.12 3.68 0.87 -0.90 -3.16 113.55 123.21 1tka h SER 66 Ca -0.07 -0.08 -0.68 0.00 -1.23 0.00 0.00 61.79 59.72 1tka h SER 66 Cb 1.06 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 1tka h SER 66 CO 0.96 0.65 2.77 -0.46 -0.53 0.00 0.00 176.83 180.22 1tka n ASN 67 N -4.34 3.66 0.16 6.23 2.04 -1.21 -4.32 115.26 117.48 1tka n ASN 67 Ca 0.05 -2.81 0.10 0.00 -0.44 0.00 0.00 54.58 51.48 1tka n ASN 67 Cb 0.15 -1.55 0.56 0.00 -2.53 0.00 0.00 39.78 36.41 1tka n ASN 67 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1tka n GLY 68 N 4.41 -0.83 0.17 4.83 0.00 -1.20 -0.66 105.19 111.91 1tka n GLY 68 Ca 0.51 0.19 0.14 0.00 0.00 0.00 0.00 46.02 46.85 1tka n GLY 68 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1tka h HIS 69 N 0.00 0.00 -0.42 1.61 2.07 -1.85 -2.63 115.15 113.93 1tka h HIS 69 Ca 0.00 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.38 1tka h HIS 69 Cb 0.05 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 29.95 1tka h HIS 69 CO 0.00 0.00 0.17 0.00 -3.07 0.00 0.00 177.93 175.03 1tka n ALA 70 N -1.87 3.70 -0.26 6.11 0.00 0.16 -4.43 120.51 123.91 1tka n ALA 70 Ca 0.02 -1.29 0.02 0.00 0.00 0.00 0.00 53.44 52.19 1tka n ALA 70 Cb 0.28 -1.15 0.06 0.00 0.00 0.00 0.00 19.45 18.64 1tka n ALA 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1tka n VAL 71 N -0.01 -0.34 -0.29 0.00 0.31 -0.99 -0.68 118.33 116.33 1tka n VAL 71 Ca 0.23 1.64 0.29 0.00 -0.01 0.00 0.00 64.34 66.49 1tka n VAL 71 Cb 0.94 -2.21 0.65 0.00 -0.91 0.00 0.00 33.84 32.31 1tka n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1tka h ALA 72 N 1.18 2.71 -0.17 3.52 0.00 -1.88 0.56 119.26 125.19 1tka h ALA 72 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1tka h ALA 72 Cb 0.47 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1tka h ALA 72 CO -0.71 -1.06 -0.08 1.25 0.00 0.00 0.00 179.25 178.65 1tka h LEU 73 N 0.16 0.35 -0.92 0.00 5.85 -1.26 -0.83 115.31 118.67 1tka h LEU 73 Ca 0.55 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1tka h LEU 73 Cb 1.85 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.74 1tka h LEU 73 CO -0.12 0.68 0.40 0.25 -0.34 0.00 0.00 178.44 179.31 1tka h LEU 74 N 0.02 1.06 -0.20 2.25 5.85 -0.11 -0.80 115.31 123.38 1tka h LEU 74 Ca 0.04 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.53 1tka h LEU 74 Cb 0.55 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1tka h LEU 74 CO 0.02 0.89 -0.30 1.88 -0.34 0.00 0.00 178.44 180.59 1tka h TYR 75 N 1.16 0.68 -0.02 1.25 0.05 -0.53 -0.90 116.97 118.66 1tka h TYR 75 Ca 0.28 -0.23 0.03 0.00 0.05 0.00 0.00 58.73 58.86 1tka h TYR 75 Cb 0.11 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 37.67 1tka h TYR 75 CO 0.01 0.95 -0.28 0.77 -1.05 0.00 0.00 178.16 178.57 1tka h SER 76 N 0.22 -0.84 -0.41 3.88 0.02 -0.91 -1.74 113.55 113.77 1tka h SER 76 Ca 0.02 0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1tka h SER 76 Cb 0.88 0.34 -0.04 0.00 0.14 0.00 0.00 62.40 63.73 1tka h SER 76 CO 0.07 -0.34 0.18 0.24 -1.14 0.00 0.00 176.83 175.83 1tka h MET 77 N -0.41 0.35 -0.92 3.45 2.86 -0.93 -1.01 114.93 118.32 1tka h MET 77 Ca 0.07 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.72 1tka h MET 77 Cb 0.51 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.04 1tka h MET 77 CO -0.26 0.23 0.61 -0.07 1.06 0.00 0.00 176.91 178.48 1tka h LEU 78 N 0.36 1.00 -0.04 1.22 3.38 -1.11 -1.36 115.31 118.75 1tka h LEU 78 Ca 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1tka h LEU 78 Cb 0.13 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1tka h LEU 78 CO -0.16 0.68 -0.01 -0.74 0.09 0.00 0.00 178.44 178.31 1tka h HIS 79 N 1.15 0.09 -0.62 1.13 2.76 -0.29 -1.16 115.15 118.21 1tka h HIS 79 Ca 0.37 -0.02 -0.10 0.00 -2.20 0.00 0.00 60.37 58.42 1tka h HIS 79 Cb 0.02 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1tka h HIS 79 CO -0.00 0.41 0.01 -0.07 -1.30 0.00 0.00 177.93 176.98 1tka h LEU 80 N -0.26 1.06 -0.34 0.26 3.38 -1.06 -3.17 115.31 115.19 1tka h LEU 80 Ca 0.01 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1tka h LEU 80 Cb 0.38 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1tka h LEU 80 CO 0.00 1.11 0.00 0.35 0.09 0.00 0.00 178.44 179.99 1tka n THR 81 N -4.18 0.01 0.00 0.22 -2.24 -0.53 -4.81 114.28 102.75 1tka n THR 81 Ca 0.03 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1tka n THR 81 Cb 0.34 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 1tka n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tka n GLY 82 N 1.04 1.07 3.86 3.38 0.00 -1.20 -4.62 105.19 108.72 1tka n GLY 82 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1tka n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1tka s TYR 83 N -2.00 3.32 -0.98 1.61 1.51 -0.44 -4.48 117.35 115.89 1tka s TYR 83 Ca 0.00 1.22 -0.24 0.00 -1.01 0.00 0.00 57.07 57.04 1tka s TYR 83 Cb 0.00 -2.92 -0.02 0.00 -0.11 0.00 0.00 41.96 38.91 1tka s TYR 83 CO 0.00 -1.10 1.82 0.34 -1.11 0.00 0.00 175.55 175.50 1tka s ASP 84 N -4.12 5.53 -0.27 2.29 2.15 -1.26 -4.66 116.67 116.32 1tka s ASP 84 Ca 0.57 -1.07 -0.22 0.00 0.43 0.00 0.00 52.55 52.27 1tka s ASP 84 Cb -0.12 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 40.01 1tka s ASP 84 CO 0.54 -2.42 0.71 -0.22 -0.17 0.00 0.00 175.17 173.60 1tka s LEU 85 N 8.72 -0.81 0.43 -1.34 2.96 -1.26 -4.92 118.68 122.46 1tka s LEU 85 Ca 0.63 1.47 0.03 0.00 -0.22 0.00 0.00 54.13 56.04 1tka s LEU 85 Cb -0.04 2.44 -0.02 0.00 0.50 0.00 0.00 46.19 49.07 1tka s LEU 85 CO -0.01 -0.25 0.10 -0.94 -1.32 0.00 0.00 176.35 173.94 1tka s SER 86 N 0.78 3.11 0.35 3.68 1.04 -1.26 -4.49 113.70 116.91 1tka s SER 86 Ca -0.03 -1.68 0.05 0.00 0.48 0.00 0.00 55.95 54.76 1tka s SER 86 Cb -0.05 0.53 0.64 0.00 0.10 0.00 0.00 66.02 67.24 1tka s SER 86 CO -0.06 -0.93 1.91 0.40 0.98 0.00 0.00 173.24 175.55 1tka h ILE 87 N 1.68 1.18 0.00 -1.02 1.08 -1.97 0.36 117.51 118.82 1tka h ILE 87 Ca -0.37 -0.66 -0.16 0.00 -0.39 0.00 0.00 64.86 63.28 1tka h ILE 87 Cb 1.28 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.84 1tka h ILE 87 CO 0.60 0.24 -0.78 -0.08 -0.69 0.00 0.00 178.15 177.44 1tka h GLU 88 N 0.53 0.00 -0.57 2.37 4.57 -1.98 0.16 114.58 119.67 1tka h GLU 88 Ca 0.12 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1tka h GLU 88 Cb 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1tka h GLU 88 CO -0.00 0.78 0.12 -0.44 -1.18 0.00 0.00 179.01 178.29 1tka h ASP 89 N 0.00 0.88 -0.52 1.04 3.32 -1.73 -2.55 116.42 116.86 1tka h ASP 89 Ca -0.01 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 1tka h ASP 89 Cb 1.47 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1tka h ASP 89 CO 0.10 0.90 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.39 1tka h LEU 90 N 0.83 0.96 -2.82 1.55 3.38 -0.54 -2.01 115.31 116.66 1tka h LEU 90 Ca 0.18 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1tka h LEU 90 Cb 0.37 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 1tka h LEU 90 CO 0.01 1.07 -0.00 0.11 0.09 0.00 0.00 178.44 179.71 1tka h LYS 91 N 0.83 0.00 -0.95 1.13 1.57 -0.40 -0.45 116.57 118.30 1tka h LYS 91 Ca 0.14 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.40 1tka h LYS 91 Cb 0.61 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.63 1tka h LYS 91 CO 0.04 0.00 0.62 1.04 -0.57 0.00 0.00 179.45 180.58 1tka n GLN 92 N -3.13 2.31 -2.07 3.15 3.00 -0.76 -4.86 117.38 115.02 1tka n GLN 92 Ca -0.03 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.00 53.46 1tka n GLN 92 Cb 0.09 -2.17 -0.03 0.00 0.00 0.00 0.00 30.24 28.14 1tka n GLN 92 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1tka s PHE 93 N -3.39 3.11 -1.27 1.08 5.36 -0.18 -3.05 117.98 119.65 1tka s PHE 93 Ca 0.57 1.02 0.00 0.00 -0.96 0.00 0.00 56.93 57.57 1tka s PHE 93 Cb 0.48 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 39.40 1tka s PHE 93 CO 0.08 -2.52 0.00 0.54 -1.46 0.00 0.00 175.22 171.86 1tka n ARG 94 N 2.78 -1.36 -4.12 10.12 1.74 -0.36 -4.57 116.66 120.89 1tka n ARG 94 Ca 0.08 0.89 -0.36 0.00 -0.77 0.00 0.00 57.85 57.69 1tka n ARG 94 Cb 0.41 -5.14 -0.08 0.00 -1.02 0.00 0.00 32.46 26.63 1tka n ARG 94 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1tka s GLN 95 N -2.90 3.29 -0.12 5.56 -1.52 -1.17 -4.88 119.66 117.91 1tka s GLN 95 Ca 0.00 -0.28 -0.33 0.00 -1.95 0.00 0.00 55.36 52.80 1tka s GLN 95 Cb 0.00 -3.01 -0.10 0.00 -0.22 0.00 0.00 33.01 29.68 1tka s GLN 95 CO 0.00 0.69 1.97 -0.11 -0.25 0.00 0.00 175.29 177.59 1tka n LEU 96 N 2.23 3.40 0.00 2.90 7.94 -1.26 -1.86 117.00 130.34 1tka n LEU 96 Ca -0.19 0.81 0.00 0.00 -1.11 0.00 0.00 56.01 55.52 1tka n LEU 96 Cb 0.54 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1tka n LEU 96 CO 0.30 -0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1tka n GLY 97 N 4.83 2.36 3.72 -3.96 0.00 -1.26 -5.10 105.19 105.78 1tka n GLY 97 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 1tka n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tka s SER 98 N -1.50 3.18 0.00 1.61 1.04 -0.78 -4.94 113.70 112.31 1tka s SER 98 Ca 0.00 1.22 0.22 0.00 0.48 0.00 0.00 55.95 57.87 1tka s SER 98 Cb 0.00 -1.88 0.83 0.00 0.10 0.00 0.00 66.02 65.08 1tka s SER 98 CO 0.00 -2.78 1.60 0.54 0.98 0.00 0.00 173.24 173.57 1tka n ARG 99 N -3.95 1.69 -3.05 4.02 1.74 -1.26 -4.42 116.66 111.43 1tka n ARG 99 Ca 0.06 -1.03 -0.29 0.00 -0.77 0.00 0.00 57.85 55.82 1tka n ARG 99 Cb 0.57 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1tka n ARG 99 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1tka n THR 100 N 0.25 3.28 -0.82 0.55 -2.24 -1.26 -4.99 114.28 109.05 1tka n THR 100 Ca 0.17 -5.54 -0.31 0.00 -2.27 0.00 0.00 64.05 56.10 1tka n THR 100 Cb 0.33 -1.64 0.15 0.00 -2.10 0.00 0.00 70.33 67.06 1tka n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1tka s PRO 101 N -3.25 1.29 0.00 -0.78 0.04 -1.26 -1.23 135.00 129.81 1tka s PRO 101 Ca 0.45 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.99 1tka s PRO 101 Cb 0.22 -1.76 0.15 0.00 0.04 0.00 0.00 34.50 33.15 1tka s PRO 101 CO -0.09 -2.42 0.94 0.41 0.04 0.00 0.00 177.00 175.88 1tka n GLY 102 N -0.09 -0.42 3.21 0.56 0.00 -1.26 -4.52 105.19 102.67 1tka n GLY 102 Ca 0.11 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 1tka n GLY 102 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tka s HIS 103 N -2.63 -0.37 0.62 1.61 3.76 -1.26 -4.80 115.29 112.20 1tka s HIS 103 Ca 0.03 0.90 -0.18 0.00 -0.15 0.00 0.00 55.06 55.65 1tka s HIS 103 Cb 0.02 0.13 -0.03 0.00 1.11 0.00 0.00 32.58 33.81 1tka s HIS 103 CO 0.05 -0.19 1.25 -1.25 -0.85 0.00 0.00 174.74 173.75 1tka s PRO 104 N 0.30 2.79 -0.04 8.40 0.04 -1.23 -4.88 135.00 140.38 1tka s PRO 104 Ca -0.01 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.95 1tka s PRO 104 Cb -0.03 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.64 1tka s PRO 104 CO -0.01 -1.38 0.06 -2.00 0.04 0.00 0.00 177.00 173.71 1tka s GLU 105 N -3.34 -0.07 0.16 4.56 2.12 -1.26 -1.74 118.70 119.12 1tka s GLU 105 Ca 0.80 0.36 0.03 0.00 0.36 0.00 0.00 54.97 56.52 1tka s GLU 105 Cb -0.34 -0.49 0.44 0.00 0.26 0.00 0.00 34.13 34.00 1tka s GLU 105 CO 0.36 -0.32 0.78 0.34 -0.54 0.00 0.00 175.26 175.89 1tka n PHE 106 N 5.21 0.37 -0.21 5.30 7.35 -1.25 -1.47 117.46 132.75 1tka n PHE 106 Ca -0.05 0.60 0.18 0.00 -0.76 0.00 0.00 57.45 57.42 1tka n PHE 106 Cb 0.50 -0.91 0.52 0.00 0.35 0.00 0.00 39.48 39.94 1tka n PHE 106 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1tka h GLU 107 N 0.00 0.38 -7.09 -4.13 4.81 -1.90 -3.43 114.58 103.22 1tka h GLU 107 Ca 0.33 -0.02 -0.48 0.00 -0.13 0.00 0.00 59.36 59.06 1tka h GLU 107 Cb 0.73 -0.09 0.04 0.00 0.63 0.00 0.00 28.75 30.06 1tka h GLU 107 CO -0.45 0.25 0.39 -1.17 -0.73 0.00 0.00 179.01 177.30 1tka s LEU 108 N -9.37 3.78 0.26 1.64 2.96 -0.54 -5.00 118.68 112.41 1tka s LEU 108 Ca -0.08 1.95 -0.29 0.00 -0.22 0.00 0.00 54.13 55.49 1tka s LEU 108 Cb 0.22 -4.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.26 1tka s LEU 108 CO 0.78 -0.91 1.18 -2.84 -1.32 0.00 0.00 176.35 173.24 1tka s PRO 109 N -3.36 4.53 0.00 0.98 0.02 -1.26 -2.85 135.00 133.05 1tka s PRO 109 Ca 0.68 1.92 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1tka s PRO 109 Cb -0.18 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1tka s PRO 109 CO 0.23 0.02 0.00 0.41 -0.33 0.00 0.00 177.00 177.33 1tka n GLY 110 N 1.47 3.03 3.54 0.52 0.00 -1.26 -4.88 105.19 107.60 1tka n GLY 110 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1tka n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tka s VAL 111 N -2.93 5.03 0.13 1.61 1.01 -1.13 -4.98 120.40 119.14 1tka s VAL 111 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.09 1tka s VAL 111 Cb 0.00 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.21 1tka s VAL 111 CO 0.00 -0.29 1.31 -0.33 0.00 0.00 0.00 175.10 175.79 1tka h GLU 112 N 8.57 0.32 -3.06 2.72 4.39 -1.82 -3.41 114.58 122.29 1tka h GLU 112 Ca -0.27 -0.37 -0.02 0.00 0.34 0.00 0.00 59.36 59.04 1tka h GLU 112 Cb 1.12 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.77 1tka h GLU 112 CO 0.78 1.07 0.17 0.14 -1.16 0.00 0.00 179.01 180.01 1tka s VAL 113 N -3.17 0.01 0.13 3.13 -7.23 -1.26 -4.87 120.40 107.14 1tka s VAL 113 Ca -0.05 -0.18 -0.25 0.00 -1.81 0.00 0.00 61.98 59.69 1tka s VAL 113 Cb 0.09 -1.12 -0.07 0.00 0.56 0.00 0.00 36.38 35.84 1tka s VAL 113 CO 0.86 -0.05 0.77 0.42 -0.31 0.00 0.00 175.10 176.79 1tka s THR 114 N -3.77 4.48 0.15 5.32 -4.23 -1.26 -3.96 115.64 112.37 1tka s THR 114 Ca 0.02 1.67 0.00 0.00 -1.18 0.00 0.00 61.69 62.21 1tka s THR 114 Cb -0.01 -4.13 -0.04 0.00 1.34 0.00 0.00 72.50 69.66 1tka s THR 114 CO -0.11 0.48 0.03 0.42 -0.54 0.00 0.00 174.62 174.90 1tka s THR 115 N -0.82 0.37 0.00 3.99 -4.23 -0.71 -4.84 115.64 109.40 1tka s THR 115 Ca 0.36 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.93 1tka s THR 115 Cb -0.22 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.53 1tka s THR 115 CO 0.25 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.48 1tka n GLY 116 N -0.17 2.02 3.72 3.99 0.00 -1.26 -3.54 105.19 109.96 1tka n GLY 116 Ca -0.06 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 1tka n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1tka s PRO 117 N 0.00 4.46 0.22 1.61 0.02 -1.26 -4.79 135.00 135.25 1tka s PRO 117 Ca 0.00 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.55 1tka s PRO 117 Cb 0.00 -3.30 -0.09 0.00 0.02 0.00 0.00 34.50 31.14 1tka s PRO 117 CO 0.00 -0.19 0.92 -0.51 -0.33 0.00 0.00 177.00 176.90 1tka s LEU 118 N 0.50 4.63 0.00 -5.54 1.43 -1.26 -3.38 118.68 115.06 1tka s LEU 118 Ca 0.56 1.90 0.00 0.00 -1.03 0.00 0.00 54.13 55.56 1tka s LEU 118 Cb -0.31 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.34 1tka s LEU 118 CO 0.32 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1tka n GLY 119 N 1.58 0.90 0.09 -3.19 0.00 -1.26 -4.89 105.19 98.41 1tka n GLY 119 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1tka n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1tka h GLN 120 N 3.51 0.17 -0.57 1.61 1.08 -1.88 -3.14 115.11 115.89 1tka h GLN 120 Ca 0.00 -0.17 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1tka h GLN 120 Cb 0.00 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1tka h GLN 120 CO 0.00 0.91 0.22 0.78 -0.95 0.00 0.00 178.83 179.78 1tka h GLY 121 N -0.51 0.92 0.97 3.46 0.00 -1.80 -1.73 103.07 104.39 1tka h GLY 121 Ca -0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1tka h GLY 121 CO 0.05 0.48 0.17 1.19 0.00 0.00 0.00 176.54 178.43 1tka h ILE 122 N 0.78 1.22 0.00 2.60 6.09 -1.90 -2.07 117.51 124.23 1tka h ILE 122 Ca 0.19 -0.73 -0.09 0.00 -1.37 0.00 0.00 64.86 62.86 1tka h ILE 122 Cb 0.22 0.78 -0.01 0.00 0.47 0.00 0.00 36.82 38.27 1tka h ILE 122 CO -0.01 0.27 -0.44 0.28 -3.07 0.00 0.00 178.15 175.17 1tka h SER 123 N 0.66 0.00 -0.03 2.19 0.02 -1.44 -2.29 113.55 112.66 1tka h SER 123 Ca 0.16 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1tka h SER 123 Cb 0.25 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1tka h SER 123 CO -0.01 0.44 0.01 0.78 -1.14 0.00 0.00 176.83 176.91 1tka h ASN 124 N 0.00 0.04 -1.20 3.07 -0.26 -1.20 -2.87 115.58 113.16 1tka h ASN 124 Ca -0.00 -0.19 0.35 0.00 -0.56 0.00 0.00 56.30 55.89 1tka h ASN 124 Cb 0.80 -0.01 -0.09 0.00 -1.06 0.00 0.00 38.32 37.96 1tka h ASN 124 CO 0.06 0.21 0.80 0.00 -1.06 0.00 0.00 177.43 177.44 1tka h ALA 125 N 0.82 2.65 -0.28 -0.83 0.00 -0.78 0.17 119.26 121.01 1tka h ALA 125 Ca 0.01 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1tka h ALA 125 Cb 0.19 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1tka h ALA 125 CO -0.00 -1.11 -0.27 0.28 0.00 0.00 0.00 179.25 178.15 1tka h VAL 126 N 0.20 1.30 -0.31 0.00 2.07 -1.38 0.86 116.25 118.99 1tka h VAL 126 Ca 0.67 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1tka h VAL 126 Cb 2.09 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1tka h VAL 126 CO -0.26 0.46 0.13 1.23 0.02 0.00 0.00 177.57 179.15 1tka h GLY 127 N 0.42 0.49 0.82 2.17 0.00 -0.65 -1.70 103.07 104.62 1tka h GLY 127 Ca 0.05 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.15 1tka h GLY 127 CO 0.07 0.25 0.36 -0.33 0.00 0.00 0.00 176.54 176.89 1tka h MET 128 N 0.35 0.68 -0.05 4.80 2.86 -1.05 -1.05 114.93 121.48 1tka h MET 128 Ca 0.10 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 1tka h MET 128 Cb 0.17 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1tka h MET 128 CO -0.01 0.45 -0.36 0.00 1.06 0.00 0.00 176.91 178.06 1tka h ALA 129 N 1.28 1.32 0.05 6.32 0.00 -0.52 0.12 119.26 127.83 1tka h ALA 129 Ca 0.26 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tka h ALA 129 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tka h ALA 129 CO -0.12 0.49 -0.02 0.52 0.00 0.00 0.00 179.25 180.11 1tka h MET 130 N 0.08 -0.06 -0.60 0.00 2.86 -1.04 -2.03 114.93 114.15 1tka h MET 130 Ca 0.01 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1tka h MET 130 Cb 0.67 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.31 1tka h MET 130 CO 0.05 0.37 0.39 0.00 1.06 0.00 0.00 176.91 178.79 1tka h ALA 131 N 0.40 1.75 0.82 6.32 0.00 -0.84 0.14 119.26 127.85 1tka h ALA 131 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1tka h ALA 131 Cb 0.46 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1tka h ALA 131 CO 0.01 0.17 -0.39 0.37 0.00 0.00 0.00 179.25 179.41 1tka h GLN 132 N 0.64 -1.06 -0.88 0.00 -0.00 -0.89 -2.42 115.11 110.49 1tka h GLN 132 Ca 0.25 0.07 0.16 0.00 -0.00 0.00 0.00 58.65 59.13 1tka h GLN 132 Cb 0.18 0.24 -0.16 0.00 0.00 0.00 0.00 27.48 27.74 1tka h GLN 132 CO -0.07 -0.69 -0.30 0.00 0.00 0.00 0.00 178.83 177.76 1tka h ALA 133 N -1.16 0.33 0.32 3.38 0.00 -0.58 -0.37 119.26 121.18 1tka h ALA 133 Ca -0.11 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1tka h ALA 133 Cb 0.85 0.82 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1tka h ALA 133 CO 0.18 -0.53 -0.15 -0.97 0.00 0.00 0.00 179.25 177.79 1tka h ASN 134 N -0.03 -0.36 -0.86 0.00 -0.73 -0.77 -1.40 115.58 111.43 1tka h ASN 134 Ca 0.37 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.53 1tka h ASN 134 Cb 0.62 0.09 -0.04 0.00 0.27 0.00 0.00 38.32 39.26 1tka h ASN 134 CO -0.91 -0.25 0.49 0.25 -0.37 0.00 0.00 177.43 176.64 1tka h LEU 135 N -0.44 1.06 -0.87 0.34 5.85 -0.83 -1.00 115.31 119.42 1tka h LEU 135 Ca -0.04 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.50 1tka h LEU 135 Cb 0.34 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1tka h LEU 135 CO 0.07 0.84 -0.19 0.00 -0.34 0.00 0.00 178.44 178.82 1tka h ALA 136 N 1.34 1.04 0.00 1.25 0.00 -0.89 -0.79 119.26 121.21 1tka h ALA 136 Ca 0.31 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1tka h ALA 136 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1tka h ALA 136 CO -0.05 0.58 -0.19 0.00 0.00 0.00 0.00 179.25 179.59 1tka h ALA 137 N 1.23 0.99 0.00 0.00 0.00 -0.46 -2.47 119.26 118.56 1tka h ALA 137 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1tka h ALA 137 Cb 0.64 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1tka h ALA 137 CO 0.05 0.23 -0.54 1.15 0.00 0.00 0.00 179.25 180.14 1tka h THR 138 N 0.00 1.29 0.00 0.00 2.02 -0.40 -3.43 112.91 112.39 1tka h THR 138 Ca -0.00 -2.17 0.00 0.00 0.77 0.00 0.00 66.41 65.01 1tka h THR 138 Cb 0.77 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1tka h THR 138 CO 0.02 0.44 -1.58 -1.22 0.37 0.00 0.00 175.52 173.55 1tka n TYR 139 N -4.54 0.00 -2.45 3.16 4.01 -0.38 -4.94 117.16 112.01 1tka n TYR 139 Ca -0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.14 1tka n TYR 139 Cb 0.53 -0.31 -0.04 0.00 -0.31 0.00 0.00 39.34 39.21 1tka n TYR 139 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1tka s ASN 140 N -3.72 7.19 0.17 7.72 0.01 -0.93 -4.90 114.94 120.47 1tka s ASN 140 Ca -0.03 2.18 0.09 0.00 -0.71 0.00 0.00 52.86 54.39 1tka s ASN 140 Cb 0.12 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 1tka s ASN 140 CO 0.73 -0.27 -0.19 -0.54 -1.51 0.00 0.00 177.10 175.32 1tka s LYS 141 N -0.50 1.31 -0.04 -0.60 -0.14 -1.05 -4.93 119.74 113.78 1tka s LYS 141 Ca 0.50 -1.42 -0.32 0.00 -1.36 0.00 0.00 55.97 53.37 1tka s LYS 141 Cb -0.31 -1.41 -0.10 0.00 -1.68 0.00 0.00 37.83 34.32 1tka s LYS 141 CO 0.37 0.29 1.95 -0.35 -0.76 0.00 0.00 175.35 176.85 1tka n PRO 142 N 0.30 2.48 -0.22 -1.68 -0.04 -1.26 0.15 135.00 134.73 1tka n PRO 142 Ca -0.13 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.23 1tka n PRO 142 Cb 0.57 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 1tka n PRO 142 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tka n GLY 143 N 4.57 0.79 2.46 0.55 0.00 -1.26 -5.00 105.19 107.29 1tka n GLY 143 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 1tka n GLY 143 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1tka n PHE 144 N -2.14 -1.74 -2.78 1.61 3.72 0.12 -5.03 117.46 111.22 1tka n PHE 144 Ca 0.00 -2.74 -0.43 0.00 -0.05 0.00 0.00 57.45 54.23 1tka n PHE 144 Cb 0.00 0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 39.05 1tka n PHE 144 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1tka s THR 145 N -0.13 4.48 -0.51 4.37 2.01 -1.26 -2.54 115.64 122.06 1tka s THR 145 Ca 0.33 -1.59 0.24 0.00 0.31 0.00 0.00 61.69 60.98 1tka s THR 145 Cb 0.13 -4.94 0.20 0.00 0.01 0.00 0.00 72.50 67.90 1tka s THR 145 CO -0.16 -1.72 1.48 -0.07 -0.69 0.00 0.00 174.62 173.47 1tka h LEU 146 N 11.22 0.00 -7.49 4.42 3.38 -1.91 -3.44 115.31 121.48 1tka h LEU 146 Ca 0.24 -0.04 -0.44 0.00 0.09 0.00 0.00 57.88 57.72 1tka h LEU 146 Cb 0.97 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.34 1tka h LEU 146 CO 1.27 0.02 -0.77 -0.55 0.09 0.00 0.00 178.44 178.50 1tka s SER 147 N -5.25 1.61 0.00 -0.43 0.15 -1.26 -4.74 113.70 103.77 1tka s SER 147 Ca 0.06 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1tka s SER 147 Cb 0.09 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 1tka s SER 147 CO 0.69 -0.19 0.60 -0.90 1.20 0.00 0.00 173.24 174.64 1tka n ASP 148 N 5.12 -0.11 -4.90 5.45 5.68 -1.26 -4.77 116.55 121.76 1tka n ASP 148 Ca -0.08 -1.19 -0.28 0.00 -0.50 0.00 0.00 54.79 52.73 1tka n ASP 148 Cb 0.50 0.02 0.01 0.00 -1.14 0.00 0.00 41.12 40.51 1tka n ASP 148 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1tka s ASN 149 N -0.20 6.17 0.26 -1.12 4.22 -1.26 -5.08 114.94 117.92 1tka s ASN 149 Ca 0.00 1.07 0.00 0.00 -2.14 0.00 0.00 52.86 51.79 1tka s ASN 149 Cb 0.00 -2.26 -0.04 0.00 1.28 0.00 0.00 41.25 40.23 1tka s ASN 149 CO -0.00 -0.73 0.44 -0.31 -2.04 0.00 0.00 177.10 174.46 1tka s TYR 150 N -2.91 3.48 -0.28 1.54 1.51 -1.26 -4.97 117.35 114.46 1tka s TYR 150 Ca 0.51 0.30 0.03 0.00 -1.01 0.00 0.00 57.07 56.90 1tka s TYR 150 Cb -0.11 -1.83 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 1tka s TYR 150 CO 0.48 0.30 -0.05 0.99 -1.11 0.00 0.00 175.55 176.16 1tka s THR 151 N -2.03 2.09 -0.08 -0.71 2.01 -0.93 -1.08 115.64 114.90 1tka s THR 151 Ca 0.38 -1.78 -0.04 0.00 0.31 0.00 0.00 61.69 60.56 1tka s THR 151 Cb -0.10 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1tka s THR 151 CO 0.31 -0.22 0.08 -0.31 -0.69 0.00 0.00 174.62 173.80 1tka s TYR 152 N 1.09 3.39 0.07 4.92 2.02 0.25 -1.79 117.35 127.31 1tka s TYR 152 Ca -0.02 0.35 0.06 0.00 -0.37 0.00 0.00 57.07 57.09 1tka s TYR 152 Cb -0.20 -1.85 -0.03 0.00 -0.40 0.00 0.00 41.96 39.49 1tka s TYR 152 CO -0.07 0.61 -0.17 0.08 -1.57 0.00 0.00 175.55 174.43 1tka s VAL 153 N -1.02 1.40 -0.13 0.71 1.01 -0.71 -0.17 120.40 121.49 1tka s VAL 153 Ca 0.16 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.84 1tka s VAL 153 Cb -0.12 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1tka s VAL 153 CO 0.06 -0.06 -0.15 -0.36 0.00 0.00 0.00 175.10 174.59 1tka s PHE 154 N -1.08 2.77 0.07 5.22 0.40 -0.64 -1.96 117.98 122.75 1tka s PHE 154 Ca 0.03 -0.78 -0.05 0.00 -0.60 0.00 0.00 56.93 55.53 1tka s PHE 154 Cb -0.09 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.59 1tka s PHE 154 CO 0.03 -0.29 0.09 -0.48 0.70 0.00 0.00 175.22 175.27 1tka s LEU 155 N 0.43 1.88 0.00 -0.37 2.34 -0.73 -0.20 118.68 122.03 1tka s LEU 155 Ca -0.11 -0.77 0.00 0.00 0.06 0.00 0.00 54.13 53.31 1tka s LEU 155 Cb -0.16 0.66 0.00 0.00 -0.56 0.00 0.00 46.19 46.13 1tka s LEU 155 CO 0.05 -0.65 0.00 0.61 -1.06 0.00 0.00 176.35 175.30 1tka n GLY 156 N 0.11 5.05 0.12 -3.48 0.00 -1.26 -1.01 105.19 104.72 1tka n GLY 156 Ca -0.15 -2.10 -0.06 0.00 0.00 0.00 0.00 46.02 43.70 1tka n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1tka h ASP 157 N 0.00 0.12 0.18 1.61 5.19 -1.88 -2.83 116.42 118.80 1tka h ASP 157 Ca 0.00 -0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.19 1tka h ASP 157 Cb 0.00 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1tka h ASP 157 CO 0.00 0.89 -0.47 1.23 -3.12 0.00 0.00 179.24 177.76 1tka h GLY 158 N 2.11 0.38 2.00 2.75 0.00 -1.95 -0.38 103.07 107.98 1tka h GLY 158 Ca -0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.76 1tka h GLY 158 CO 0.12 0.36 -0.67 0.00 0.00 0.00 0.00 176.54 176.35 1tka n LEU 160 N -3.63 0.23 0.00 0.00 4.77 -0.54 -3.10 117.00 114.74 1tka n LEU 160 Ca -0.01 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.62 1tka n LEU 160 Cb 0.69 -0.48 0.12 0.00 -2.33 0.00 0.00 43.42 41.41 1tka n LEU 160 CO 0.42 -0.19 0.27 0.00 -1.33 0.00 0.00 177.39 176.57 1tka n GLN 161 N -1.73 0.00 -3.23 3.23 6.02 -0.26 -4.95 117.38 116.45 1tka n GLN 161 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 57.00 56.65 1tka n GLN 161 Cb 0.29 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 1tka n GLN 161 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1tka s GLU 162 N -3.00 4.27 0.30 -1.09 0.41 -1.13 -4.99 118.70 113.47 1tka s GLU 162 Ca 0.10 0.74 0.01 0.00 -0.41 0.00 0.00 54.97 55.41 1tka s GLU 162 Cb 0.17 -3.30 0.54 0.00 -1.78 0.00 0.00 34.13 29.76 1tka s GLU 162 CO 0.76 0.48 1.90 0.78 -0.49 0.00 0.00 175.26 178.69 1tka h GLY 163 N 5.18 1.35 0.82 -1.39 0.00 -1.93 -2.78 103.07 104.33 1tka h GLY 163 Ca -0.47 -0.41 0.09 0.00 0.00 0.00 0.00 47.33 46.54 1tka h GLY 163 CO 0.67 0.28 0.53 1.19 0.00 0.00 0.00 176.54 179.21 1tka h ILE 164 N 1.02 0.96 0.00 2.60 2.10 -1.92 -0.13 117.51 122.13 1tka h ILE 164 Ca 0.40 -0.26 -0.13 0.00 1.08 0.00 0.00 64.86 65.95 1tka h ILE 164 Cb 0.25 0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 36.08 1tka h ILE 164 CO -0.16 0.14 -0.63 0.77 -1.08 0.00 0.00 178.15 177.19 1tka h SER 165 N 0.77 0.00 -0.15 2.19 4.64 -1.67 -0.04 113.55 119.29 1tka h SER 165 Ca 0.37 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.64 1tka h SER 165 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1tka h SER 165 CO -0.15 0.63 -0.10 0.28 -0.87 0.00 0.00 176.83 176.62 1tka h SER 166 N 0.00 0.34 0.08 4.97 0.02 -1.15 -0.68 113.55 117.13 1tka h SER 166 Ca -0.01 -0.44 0.02 0.00 -0.84 0.00 0.00 61.79 60.52 1tka h SER 166 Cb 1.38 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 63.78 1tka h SER 166 CO 0.08 0.71 -0.46 -0.33 -1.14 0.00 0.00 176.83 175.70 1tka h GLU 167 N -0.03 -0.64 -0.71 3.45 5.08 -0.79 0.16 114.58 121.11 1tka h GLU 167 Ca 0.03 0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.53 1tka h GLU 167 Cb 0.60 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 1tka h GLU 167 CO 0.03 -0.42 0.35 0.00 -1.00 0.00 0.00 179.01 177.96 1tka h ALA 168 N -0.24 0.98 -0.55 3.43 0.00 -1.05 -2.36 119.26 119.47 1tka h ALA 168 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1tka h ALA 168 Cb 0.70 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1tka h ALA 168 CO -0.28 -0.06 0.05 0.77 0.00 0.00 0.00 179.25 179.73 1tka h SER 169 N 0.59 0.86 -0.26 0.00 0.02 -0.56 0.14 113.55 114.35 1tka h SER 169 Ca 0.35 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1tka h SER 169 Cb 0.38 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1tka h SER 169 CO -0.27 0.89 0.16 -1.28 -1.14 0.00 0.00 176.83 175.19 1tka h SER 170 N 0.84 0.30 -0.32 3.07 0.87 -0.77 -1.07 113.55 116.47 1tka h SER 170 Ca 0.17 -0.02 -0.13 0.00 -1.23 0.00 0.00 61.79 60.57 1tka h SER 170 Cb 0.42 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 1tka h SER 170 CO 0.01 0.23 -0.29 0.25 -0.53 0.00 0.00 176.83 176.51 1tka h LEU 171 N 0.34 0.86 -1.16 2.23 5.85 -1.10 -2.61 115.31 119.72 1tka h LEU 171 Ca 0.09 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 1tka h LEU 171 Cb -0.02 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.76 1tka h LEU 171 CO -0.02 1.09 -0.30 0.00 -0.34 0.00 0.00 178.44 178.87 1tka h ALA 172 N 0.96 1.30 -0.06 1.25 0.00 -0.53 -1.11 119.26 121.07 1tka h ALA 172 Ca 0.08 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1tka h ALA 172 Cb 0.83 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1tka h ALA 172 CO 0.07 0.48 -0.03 0.78 0.00 0.00 0.00 179.25 180.56 1tka h GLY 173 N 1.03 0.13 0.49 0.00 0.00 -1.16 -1.81 103.07 101.75 1tka h GLY 173 Ca 0.03 -0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.31 1tka h GLY 173 CO 0.05 0.10 0.13 0.84 0.00 0.00 0.00 176.54 177.66 1tka h HIS 174 N -0.26 0.22 0.00 5.60 6.17 -1.12 -1.99 115.15 123.76 1tka h HIS 174 Ca 0.01 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1tka h HIS 174 Cb 0.46 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.36 1tka h HIS 174 CO 0.07 0.05 0.00 1.28 0.71 0.00 0.00 177.93 180.04 1tka n LEU 175 N -5.06 0.00 -3.16 0.26 4.77 -0.45 -4.82 117.00 108.53 1tka n LEU 175 Ca 0.04 0.38 -0.19 0.00 -0.03 0.00 0.00 56.01 56.22 1tka n LEU 175 Cb 0.20 -0.38 0.07 0.00 -2.33 0.00 0.00 43.42 40.98 1tka n LEU 175 CO 0.23 -0.07 0.18 0.29 -1.33 0.00 0.00 177.39 176.69 1tka n LYS 176 N -1.38 -6.60 -2.23 3.23 5.02 -0.69 -4.46 118.16 111.05 1tka n LYS 176 Ca 0.09 0.72 -0.43 0.00 -2.02 0.00 0.00 58.31 56.68 1tka n LYS 176 Cb 0.23 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 1tka n LYS 176 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tka n LEU 177 N -4.22 5.97 -0.06 -0.35 4.77 -1.14 -4.29 117.00 117.69 1tka n LEU 177 Ca -0.07 -4.14 0.24 0.00 -0.03 0.00 0.00 56.01 52.02 1tka n LEU 177 Cb 0.58 -1.67 0.72 0.00 -2.33 0.00 0.00 43.42 40.72 1tka n LEU 177 CO 0.55 0.75 1.22 1.23 -1.33 0.00 0.00 177.39 179.81 1tka h GLY 178 N 10.70 0.00 0.52 -0.72 0.00 -1.69 -1.63 103.07 110.24 1tka h GLY 178 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1tka h GLY 178 CO 1.64 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.88 1tka n ASN 179 N -4.09 0.13 -4.44 0.19 4.13 -1.26 -4.58 115.26 105.34 1tka n ASN 179 Ca 0.13 -1.40 -0.43 0.00 1.68 0.00 0.00 54.58 54.56 1tka n ASN 179 Cb 0.80 -0.01 -0.09 0.00 -1.54 0.00 0.00 39.78 38.94 1tka n ASN 179 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1tka s LEU 180 N -1.63 5.25 -0.23 3.41 2.96 -0.61 -2.20 118.68 125.63 1tka s LEU 180 Ca 0.30 -1.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.15 1tka s LEU 180 Cb 0.14 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1tka s LEU 180 CO 0.23 -0.50 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.11 1tka s ILE 181 N 1.67 3.47 -0.04 6.68 1.01 -0.74 -2.18 121.20 131.07 1tka s ILE 181 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1tka s ILE 181 Cb -0.21 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1tka s ILE 181 CO 0.09 0.38 -0.02 0.00 0.00 0.00 0.00 174.94 175.39 1tka s ALA 182 N 1.49 3.20 -0.19 9.38 0.00 -0.11 -1.74 121.76 133.79 1tka s ALA 182 Ca 0.05 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1tka s ALA 182 Cb -0.15 -1.34 0.05 0.00 0.00 0.00 0.00 23.12 21.68 1tka s ALA 182 CO -0.02 0.61 -0.05 0.42 0.00 0.00 0.00 175.76 176.72 1tka s ILE 183 N -0.96 1.19 -0.19 0.00 1.01 -0.83 -1.66 121.20 119.76 1tka s ILE 183 Ca 0.16 -0.79 -0.21 0.00 0.00 0.00 0.00 60.65 59.81 1tka s ILE 183 Cb -0.11 -1.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 1tka s ILE 183 CO 0.06 0.04 0.65 -0.47 0.00 0.00 0.00 174.94 175.22 1tka s TYR 184 N 1.58 3.39 -0.91 3.97 5.04 0.18 -1.78 117.35 128.82 1tka s TYR 184 Ca -0.01 0.97 -0.23 0.00 -2.44 0.00 0.00 57.07 55.36 1tka s TYR 184 Cb -0.16 -2.82 0.06 0.00 0.35 0.00 0.00 41.96 39.39 1tka s TYR 184 CO -0.07 -0.16 1.31 0.34 -1.34 0.00 0.00 175.55 175.63 1tka s ASP 185 N 1.17 6.42 -1.29 4.32 2.15 -0.18 -2.04 116.67 127.22 1tka s ASP 185 Ca 0.30 -1.29 -0.12 0.00 0.43 0.00 0.00 52.55 51.87 1tka s ASP 185 Cb -0.16 -2.52 0.14 0.00 -0.30 0.00 0.00 42.92 40.08 1tka s ASP 185 CO 0.11 -1.50 1.79 -0.67 -0.17 0.00 0.00 175.17 174.72 1tka n ASP 186 N 8.49 4.95 -0.93 -0.34 2.03 -1.02 -4.29 116.55 125.43 1tka n ASP 186 Ca 0.21 -3.02 0.10 0.00 0.52 0.00 0.00 54.79 52.61 1tka n ASP 186 Cb 0.50 -1.56 0.27 0.00 -0.72 0.00 0.00 41.12 39.61 1tka n ASP 186 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1tka n ASN 187 N 5.10 2.75 0.00 1.67 6.94 -1.26 -2.81 115.26 127.65 1tka n ASN 187 Ca 0.41 -1.92 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 1tka n ASN 187 Cb 0.39 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.56 1tka n ASN 187 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1tka n LYS 188 N 1.01 0.00 -4.18 -3.83 4.01 -1.26 -4.26 118.16 109.65 1tka n LYS 188 Ca 0.18 0.00 -0.28 0.00 -0.51 0.00 0.00 58.31 57.70 1tka n LYS 188 Cb 0.47 -3.10 -0.08 0.00 -0.51 0.00 0.00 35.03 31.81 1tka n LYS 188 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1tka s ILE 189 N -0.67 3.81 0.00 -0.18 -1.09 -1.26 -1.79 121.20 120.02 1tka s ILE 189 Ca 0.00 -1.28 0.00 0.00 -2.23 0.00 0.00 60.65 57.14 1tka s ILE 189 Cb 0.00 -2.88 0.00 0.00 -1.58 0.00 0.00 42.46 38.00 1tka s ILE 189 CO 0.00 -0.04 0.00 0.35 -1.23 0.00 0.00 174.94 174.02 1tka n THR 190 N 0.10 0.00 -0.09 2.92 -2.24 -0.47 -4.83 114.28 109.66 1tka n THR 190 Ca -0.10 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 1tka n THR 190 Cb 0.54 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.74 1tka n THR 190 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1tka h ILE 191 N 0.70 1.20 0.00 2.28 2.04 -1.97 -3.07 117.51 118.69 1tka h ILE 191 Ca 0.00 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 1tka h ILE 191 Cb 0.00 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1tka h ILE 191 CO 0.00 0.21 -0.53 0.44 0.00 0.00 0.00 178.15 178.27 1tka h ASP 192 N 0.29 0.00 0.00 1.72 5.19 -1.99 -3.49 116.42 118.14 1tka h ASP 192 Ca 0.09 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 1tka h ASP 192 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1tka h ASP 192 CO -0.00 0.53 0.00 0.61 -3.12 0.00 0.00 179.24 177.25 1tka n GLY 193 N 0.07 -0.32 3.66 2.75 0.00 -1.16 -5.11 105.19 105.08 1tka n GLY 193 Ca -0.01 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 1tka n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka s ALA 194 N -1.00 1.31 0.12 4.61 0.00 -1.26 -1.36 121.76 124.18 1tka s ALA 194 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.46 1tka s ALA 194 Cb 0.00 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 1tka s ALA 194 CO 0.00 -2.82 1.27 1.79 0.00 0.00 0.00 175.76 176.00 1tka h THR 195 N -1.91 1.55 -0.30 0.00 1.35 -1.64 -3.30 112.91 108.66 1tka h THR 195 Ca -0.45 -2.97 0.09 0.00 -0.55 0.00 0.00 66.41 62.53 1tka h THR 195 Cb 1.27 2.73 -0.01 0.00 -1.73 0.00 0.00 68.15 70.41 1tka h THR 195 CO 0.43 0.86 0.42 0.77 -0.25 0.00 0.00 175.52 177.75 1tka h SER 196 N 0.07 0.00 0.14 5.36 4.64 -1.87 0.79 113.55 122.68 1tka h SER 196 Ca -0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 1tka h SER 196 Cb 1.74 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.82 1tka h SER 196 CO 0.16 0.00 -0.19 0.40 -0.87 0.00 0.00 176.83 176.33 1tka h ILE 197 N 0.00 1.18 0.00 0.95 5.03 -1.97 -3.41 117.51 119.28 1tka h ILE 197 Ca 0.14 -0.81 0.00 0.00 -0.12 0.00 0.00 64.86 64.07 1tka h ILE 197 Cb 0.98 1.34 0.00 0.00 -3.03 0.00 0.00 36.82 36.11 1tka h ILE 197 CO -0.00 0.24 0.00 -1.54 -0.68 0.00 0.00 178.15 176.17 1tka n SER 198 N -4.26 0.00 -4.34 1.72 3.41 0.12 -5.04 113.62 105.22 1tka n SER 198 Ca -0.02 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.14 1tka n SER 198 Cb 0.28 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1tka n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1tka s PHE 199 N -1.08 3.14 -0.01 7.33 5.36 0.23 -4.88 117.98 128.07 1tka s PHE 199 Ca 0.00 -1.16 0.02 0.00 -0.96 0.00 0.00 56.93 54.83 1tka s PHE 199 Cb 0.00 -3.91 0.03 0.00 -0.34 0.00 0.00 43.02 38.80 1tka s PHE 199 CO 0.00 -1.16 0.82 -0.40 -1.46 0.00 0.00 175.22 173.02 1tka n ASP 200 N 5.75 0.99 -4.46 6.13 5.68 -1.26 -3.72 116.55 125.66 1tka n ASP 200 Ca -0.10 -1.73 -0.30 0.00 -0.50 0.00 0.00 54.79 52.16 1tka n ASP 200 Cb 0.42 -0.07 0.22 0.00 -1.14 0.00 0.00 41.12 40.54 1tka n ASP 200 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1tka n GLU 201 N -0.34 -1.86 -3.10 0.11 0.28 -1.26 -4.95 120.64 109.52 1tka n GLU 201 Ca 0.02 -0.51 -0.44 0.00 -0.16 0.00 0.00 57.16 56.07 1tka n GLU 201 Cb 0.45 -2.08 -0.05 0.00 1.43 0.00 0.00 31.44 31.18 1tka n GLU 201 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1tka s ASP 202 N -2.30 6.21 0.11 -1.84 -1.08 -1.26 -4.87 116.67 111.64 1tka s ASP 202 Ca 0.65 -1.06 -0.15 0.00 -0.52 0.00 0.00 52.55 51.46 1tka s ASP 202 Cb -0.22 -2.31 -0.05 0.00 -1.46 0.00 0.00 42.92 38.88 1tka s ASP 202 CO 0.64 -1.03 1.51 0.58 0.52 0.00 0.00 175.17 177.40 1tka h VAL 203 N 5.90 1.28 -0.30 1.11 2.07 -1.99 -1.88 116.25 122.44 1tka h VAL 203 Ca -0.28 -1.13 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1tka h VAL 203 Cb 1.09 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 1tka h VAL 203 CO 1.03 0.37 0.11 0.00 0.02 0.00 0.00 177.57 179.10 1tka h ALA 204 N 0.81 0.35 -0.08 1.67 0.00 -2.00 -0.04 119.26 119.98 1tka h ALA 204 Ca 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1tka h ALA 204 Cb 0.57 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1tka h ALA 204 CO 0.03 -0.29 -0.39 -0.22 0.00 0.00 0.00 179.25 178.38 1tka h LYS 205 N 0.24 0.16 -0.20 0.00 3.64 -1.97 -1.10 116.57 117.34 1tka h LYS 205 Ca 0.14 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1tka h LYS 205 Cb 0.10 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1tka h LYS 205 CO -0.14 0.53 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.39 1tka h ARG 206 N 0.14 0.42 -0.19 1.90 2.43 -0.44 -1.84 114.38 116.80 1tka h ARG 206 Ca 0.01 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 58.83 1tka h ARG 206 Cb 0.75 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1tka h ARG 206 CO 0.06 0.70 -0.57 1.88 -1.51 0.00 0.00 179.97 180.53 1tka h TYR 207 N 0.13 0.76 -0.56 2.20 -1.99 -0.87 -2.22 116.97 114.42 1tka h TYR 207 Ca 0.05 -0.28 0.04 0.00 2.00 0.00 0.00 58.73 60.54 1tka h TYR 207 Cb 0.57 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 1tka h TYR 207 CO 0.06 1.03 0.30 0.93 -0.00 0.00 0.00 178.16 180.48 1tka h GLU 208 N 0.46 0.56 -0.47 4.88 5.08 -1.27 -1.09 114.58 122.73 1tka h GLU 208 Ca 0.00 -0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.47 1tka h GLU 208 Cb 1.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1tka h GLU 208 CO 0.11 0.37 0.50 0.00 -1.00 0.00 0.00 179.01 179.00 1tka h ALA 209 N 1.28 2.21 0.00 3.43 0.00 -0.70 0.97 119.26 126.45 1tka h ALA 209 Ca 0.24 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1tka h ALA 209 Cb 0.12 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1tka h ALA 209 CO -0.15 -0.75 -0.68 1.88 0.00 0.00 0.00 179.25 179.56 1tka h TYR 210 N 0.00 0.00 0.00 0.00 0.05 -1.11 -3.48 116.97 112.44 1tka h TYR 210 Ca 0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1tka h TYR 210 Cb 1.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.97 1tka h TYR 210 CO 0.00 0.53 0.00 0.41 -1.05 0.00 0.00 178.16 178.05 1tka n GLY 211 N 1.26 1.30 3.87 3.88 0.00 0.34 -4.12 105.19 111.71 1tka n GLY 211 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1tka n GLY 211 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1tka s TRP 212 N -2.00 3.41 0.03 1.61 0.52 -0.50 -4.33 118.94 117.70 1tka s TRP 212 Ca 0.00 1.00 -0.25 0.00 0.02 0.00 0.00 56.10 56.87 1tka s TRP 212 Cb 0.00 -2.37 -0.05 0.00 -1.15 0.00 0.00 33.47 29.90 1tka s TRP 212 CO 0.00 0.15 0.78 -2.00 0.02 0.00 0.00 176.95 175.90 1tka s GLU 213 N -3.07 4.50 -0.13 4.98 2.12 0.72 -4.01 118.70 123.82 1tka s GLU 213 Ca 0.50 1.09 0.02 0.00 0.36 0.00 0.00 54.97 56.94 1tka s GLU 213 Cb -0.11 -3.38 -0.00 0.00 0.26 0.00 0.00 34.13 30.90 1tka s GLU 213 CO 0.22 0.23 -0.20 0.08 -0.54 0.00 0.00 175.26 175.05 1tka s VAL 214 N 0.11 2.36 0.34 3.70 1.01 -1.26 -0.61 120.40 126.04 1tka s VAL 214 Ca 0.40 -0.89 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1tka s VAL 214 Cb -0.20 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1tka s VAL 214 CO 0.23 0.54 0.03 -0.76 0.00 0.00 0.00 175.10 175.15 1tka s LEU 215 N 0.59 3.04 -0.00 3.92 1.43 -0.09 -4.99 118.68 122.58 1tka s LEU 215 Ca -0.11 -0.93 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 1tka s LEU 215 Cb -0.16 -1.44 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 1tka s LEU 215 CO 0.03 -0.23 -0.05 -0.31 0.23 0.00 0.00 176.35 176.02 1tka s TYR 216 N -2.49 0.43 -0.15 0.29 2.02 -1.26 -1.01 117.35 115.18 1tka s TYR 216 Ca 0.35 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 1tka s TYR 216 Cb -0.01 -0.28 0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1tka s TYR 216 CO 0.20 -0.01 -0.18 0.08 -1.57 0.00 0.00 175.55 174.08 1tka s VAL 217 N -0.11 1.81 -0.11 0.71 1.01 -0.53 -4.91 120.40 118.27 1tka s VAL 217 Ca 0.02 -0.80 0.15 0.00 0.00 0.00 0.00 61.98 61.35 1tka s VAL 217 Cb -0.02 -1.65 -0.08 0.00 0.00 0.00 0.00 36.38 34.63 1tka s VAL 217 CO -0.00 0.50 1.05 1.05 0.00 0.00 0.00 175.10 177.70 1tka h GLU 218 N 7.81 0.00 -3.01 2.72 -0.00 -1.90 -2.68 114.58 117.52 1tka h GLU 218 Ca -0.39 0.00 -0.67 0.00 -0.00 0.00 0.00 59.36 58.30 1tka h GLU 218 Cb 1.15 0.00 -0.38 0.00 -0.00 0.00 0.00 28.75 29.52 1tka h GLU 218 CO 0.57 0.42 -0.26 -1.71 -0.00 0.00 0.00 179.01 178.02 1tka n ASN 219 N -3.04 3.94 0.00 3.06 5.15 -1.26 -4.55 115.26 118.56 1tka n ASN 219 Ca -0.06 -3.24 0.10 0.00 -0.60 0.00 0.00 54.58 50.79 1tka n ASN 219 Cb 0.82 -0.91 0.50 0.00 -0.53 0.00 0.00 39.78 39.66 1tka n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1tka n GLY 220 N 1.85 -1.13 0.10 8.20 0.00 0.52 -0.67 105.19 114.06 1tka n GLY 220 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1tka n GLY 220 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1tka h ASN 221 N 0.00 0.00 0.00 1.61 2.35 -1.86 -3.41 115.58 114.27 1tka h ASN 221 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1tka h ASN 221 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1tka h ASN 221 CO 0.00 0.72 -0.12 -0.62 -1.65 0.00 0.00 177.43 175.76 1tka n GLU 222 N -3.14 3.35 -3.22 0.81 1.02 -1.19 -4.92 120.64 113.36 1tka n GLU 222 Ca -0.04 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.65 1tka n GLU 222 Cb 0.86 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.89 1tka n GLU 222 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tka n ASP 223 N -0.27 5.67 -0.15 1.62 2.03 0.16 -4.78 116.55 120.82 1tka n ASP 223 Ca 0.00 -3.11 0.19 0.00 0.52 0.00 0.00 54.79 52.39 1tka n ASP 223 Cb 0.00 -1.38 0.58 0.00 -0.72 0.00 0.00 41.12 39.60 1tka n ASP 223 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1tka h LEU 224 N 6.71 0.25 -0.28 -2.67 3.38 -1.92 -0.92 115.31 119.86 1tka h LEU 224 Ca 0.20 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 1tka h LEU 224 Cb 0.81 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1tka h LEU 224 CO 1.12 0.12 -0.87 0.00 0.09 0.00 0.00 178.44 178.89 1tka h ALA 225 N 1.64 0.55 -0.18 1.53 0.00 -1.97 -1.42 119.26 119.41 1tka h ALA 225 Ca 0.37 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1tka h ALA 225 Cb 1.08 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1tka h ALA 225 CO -0.09 1.00 -0.27 0.78 0.00 0.00 0.00 179.25 180.67 1tka h GLY 226 N 2.23 0.54 0.85 0.00 0.00 -1.60 0.15 103.07 105.25 1tka h GLY 226 Ca -0.03 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.71 1tka h GLY 226 CO 0.12 0.55 0.07 -2.22 0.00 0.00 0.00 176.54 175.06 1tka h ILE 227 N 0.15 0.96 -0.72 2.60 2.04 -1.28 -2.07 117.51 119.19 1tka h ILE 227 Ca 0.02 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1tka h ILE 227 Cb 0.84 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.64 1tka h ILE 227 CO 0.06 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.68 1tka h ALA 228 N 1.12 0.95 -0.42 1.87 0.00 -1.10 -2.18 119.26 119.50 1tka h ALA 228 Ca 0.09 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1tka h ALA 228 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1tka h ALA 228 CO -0.08 0.17 -0.16 -0.22 0.00 0.00 0.00 179.25 178.96 1tka h LYS 229 N 0.82 0.79 -0.23 0.00 3.64 -0.60 -2.23 116.57 118.75 1tka h LYS 229 Ca 0.30 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1tka h LYS 229 Cb 0.09 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1tka h LYS 229 CO -0.14 0.90 0.08 0.00 -2.27 0.00 0.00 179.45 178.01 1tka h ALA 230 N 1.12 0.31 -0.77 5.00 0.00 -0.77 -0.57 119.26 123.57 1tka h ALA 230 Ca 0.11 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1tka h ALA 230 Cb 0.66 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1tka h ALA 230 CO 0.05 -0.07 0.43 0.82 0.00 0.00 0.00 179.25 180.47 1tka h ILE 231 N 0.21 0.91 -0.26 0.00 2.04 -1.33 0.15 117.51 119.23 1tka h ILE 231 Ca 0.08 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1tka h ILE 231 Cb 0.23 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1tka h ILE 231 CO -0.00 0.13 0.10 0.00 0.00 0.00 0.00 178.15 178.38 1tka h ALA 232 N 1.43 0.34 -0.37 1.87 0.00 -1.07 -1.01 119.26 120.46 1tka h ALA 232 Ca 0.37 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1tka h ALA 232 Cb 0.33 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1tka h ALA 232 CO -0.24 -0.06 0.18 0.37 0.00 0.00 0.00 179.25 179.50 1tka h GLN 233 N 0.27 0.53 -0.03 0.00 4.15 -0.77 -2.93 115.11 116.33 1tka h GLN 233 Ca 0.09 -0.07 0.04 0.00 0.77 0.00 0.00 58.65 59.47 1tka h GLN 233 Cb 0.19 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.73 1tka h GLN 233 CO -0.01 0.46 -0.29 0.00 -1.93 0.00 0.00 178.83 177.07 1tka h ALA 234 N 1.03 -0.39 -0.10 3.38 0.00 -0.61 -0.28 119.26 122.29 1tka h ALA 234 Ca 0.13 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1tka h ALA 234 Cb 0.11 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1tka h ALA 234 CO -0.02 -0.79 0.24 0.87 0.00 0.00 0.00 179.25 179.55 1tka h LYS 235 N -0.42 0.00 0.00 0.00 1.57 -1.01 0.03 116.57 116.74 1tka h LYS 235 Ca 0.07 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.72 1tka h LYS 235 Cb 0.52 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 1tka h LYS 235 CO -0.27 0.00 -0.63 -0.07 -0.57 0.00 0.00 179.45 177.91 1tka h LEU 236 N 0.00 0.00 -6.54 2.94 3.38 -0.89 -3.39 115.31 110.80 1tka h LEU 236 Ca 0.05 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 1tka h LEU 236 Cb 0.52 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.32 1tka h LEU 236 CO -0.00 0.63 0.96 -1.54 0.09 0.00 0.00 178.44 178.58 1tka n SER 237 N -3.49 0.23 0.06 -0.43 3.41 -0.00 -4.77 113.62 108.64 1tka n SER 237 Ca 0.00 -1.88 0.07 0.00 -0.26 0.00 0.00 58.87 56.80 1tka n SER 237 Cb 0.70 -0.41 0.32 0.00 -0.26 0.00 0.00 64.21 64.56 1tka n SER 237 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1tka n LYS 238 N 5.51 0.07 0.00 4.33 -0.00 -1.26 -2.93 118.16 123.89 1tka n LYS 238 Ca 0.14 0.44 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 1tka n LYS 238 Cb 0.14 -1.68 -0.00 0.00 -0.00 0.00 0.00 35.03 33.49 1tka n LYS 238 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1tka n ASP 239 N -1.82 0.44 -4.10 -5.58 5.75 -1.26 -3.96 116.55 106.01 1tka n ASP 239 Ca 0.01 -0.72 -0.27 0.00 -0.01 0.00 0.00 54.79 53.80 1tka n ASP 239 Cb 0.11 0.60 -0.17 0.00 -1.03 0.00 0.00 41.12 40.63 1tka n ASP 239 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1tka s LYS 240 N -0.65 2.20 0.65 0.11 1.02 -1.15 -4.47 119.74 117.45 1tka s LYS 240 Ca 0.00 -0.59 -0.15 0.00 0.02 0.00 0.00 55.97 55.26 1tka s LYS 240 Cb 0.00 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 1tka s LYS 240 CO 0.02 0.09 1.09 -1.25 -0.92 0.00 0.00 175.35 174.37 1tka s PRO 241 N 0.53 2.92 0.02 -1.68 0.04 -1.24 -3.98 135.00 131.61 1tka s PRO 241 Ca -0.16 1.29 0.09 0.00 0.04 0.00 0.00 61.00 62.26 1tka s PRO 241 Cb -0.17 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 1tka s PRO 241 CO 0.06 -1.14 -0.26 0.99 0.04 0.00 0.00 177.00 176.68 1tka s THR 242 N -2.46 2.08 -0.07 1.26 2.01 -0.93 -0.20 115.64 117.33 1tka s THR 242 Ca 0.65 -1.27 0.04 0.00 0.31 0.00 0.00 61.69 61.43 1tka s THR 242 Cb -0.18 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.55 1tka s THR 242 CO 0.42 0.44 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.38 1tka s LEU 243 N -0.98 2.38 -0.25 4.42 2.96 0.21 -0.93 118.68 126.49 1tka s LEU 243 Ca 0.11 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 1tka s LEU 243 Cb -0.10 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.15 1tka s LEU 243 CO 0.01 0.27 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.62 1tka s ILE 244 N -0.27 2.90 -0.62 6.68 1.01 -0.67 -0.91 121.20 129.32 1tka s ILE 244 Ca 0.01 -1.03 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 1tka s ILE 244 Cb -0.13 -2.48 0.11 0.00 0.01 0.00 0.00 42.46 39.97 1tka s ILE 244 CO 0.03 0.19 0.74 -0.75 0.00 0.00 0.00 174.94 175.14 1tka s LYS 245 N 1.33 3.10 -0.32 2.79 2.20 -0.18 -0.65 119.74 128.01 1tka s LYS 245 Ca 0.00 -1.38 -0.06 0.00 -0.36 0.00 0.00 55.97 54.16 1tka s LYS 245 Cb -0.17 -4.31 0.03 0.00 -1.51 0.00 0.00 37.83 31.87 1tka s LYS 245 CO -0.04 -1.55 0.09 1.41 -0.36 0.00 0.00 175.35 174.89 1tka s MET 246 N 2.62 2.83 0.06 4.03 1.75 -0.86 -1.45 119.30 128.27 1tka s MET 246 Ca 0.13 -1.03 -0.29 0.00 -1.25 0.00 0.00 55.69 53.25 1tka s MET 246 Cb -0.22 -3.40 -0.05 0.00 2.84 0.00 0.00 34.83 33.99 1tka s MET 246 CO 0.05 -0.56 0.91 0.99 -0.65 0.00 0.00 175.02 175.76 1tka s THR 247 N 1.44 4.68 0.36 10.11 2.01 -1.01 -2.45 115.64 130.78 1tka s THR 247 Ca 0.00 1.94 0.04 0.00 0.31 0.00 0.00 61.69 63.98 1tka s THR 247 Cb -0.18 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.05 1tka s THR 247 CO 0.02 0.28 0.15 0.35 -0.69 0.00 0.00 174.62 174.73 1tka n THR 248 N 3.15 0.00 -4.10 -0.82 -2.24 -1.12 -0.35 114.28 108.79 1tka n THR 248 Ca 0.02 -2.15 -0.33 0.00 -2.27 0.00 0.00 64.05 59.32 1tka n THR 248 Cb 0.50 0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 69.38 1tka n THR 248 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1tka s THR 249 N -2.96 2.19 0.23 4.28 2.01 -1.26 -4.33 115.64 115.80 1tka s THR 249 Ca 0.21 -0.93 -0.32 0.00 0.31 0.00 0.00 61.69 60.96 1tka s THR 249 Cb 0.01 -1.94 -0.12 0.00 0.01 0.00 0.00 72.50 70.46 1tka s THR 249 CO 0.15 0.50 1.71 -0.51 -0.69 0.00 0.00 174.62 175.77 1tka s ILE 250 N 1.30 2.01 -0.03 1.82 2.07 -1.26 -1.61 121.20 125.50 1tka s ILE 250 Ca 0.04 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 1tka s ILE 250 Cb -0.13 -3.01 0.00 0.00 0.13 0.00 0.00 42.46 39.45 1tka s ILE 250 CO -0.12 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 173.52 1tka n GLY 251 N 3.65 0.44 2.87 1.50 0.00 -0.42 -0.12 105.19 113.11 1tka n GLY 251 Ca 0.15 -0.08 -0.51 0.00 0.00 0.00 0.00 46.02 45.58 1tka n GLY 251 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1tka n TYR 252 N -2.85 1.01 0.00 1.61 9.36 -0.63 -0.93 117.16 124.72 1tka n TYR 252 Ca -0.00 0.88 0.00 0.00 3.32 0.00 0.00 57.90 62.09 1tka n TYR 252 Cb 0.08 -1.71 0.00 0.00 -0.63 0.00 0.00 39.34 37.08 1tka n TYR 252 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1tka n GLY 253 N 2.31 2.44 3.75 2.98 0.00 -1.26 -4.78 105.19 110.63 1tka n GLY 253 Ca 0.21 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1tka n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tka s SER 254 N 0.26 4.46 0.33 1.61 0.15 -0.11 -4.64 113.70 115.76 1tka s SER 254 Ca 0.00 2.02 0.26 0.00 0.70 0.00 0.00 55.95 58.93 1tka s SER 254 Cb 0.00 -2.55 1.11 0.00 -1.71 0.00 0.00 66.02 62.87 1tka s SER 254 CO 0.00 -2.07 1.77 0.25 1.20 0.00 0.00 173.24 174.39 1tka h LEU 255 N -0.68 0.00 -3.47 3.45 5.85 -1.87 -2.84 115.31 115.75 1tka h LEU 255 Ca -0.45 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.05 1tka h LEU 255 Cb 1.25 0.00 -0.23 0.00 0.37 0.00 0.00 40.66 42.05 1tka h LEU 255 CO 0.51 0.00 -0.74 1.41 -0.34 0.00 0.00 178.44 179.28 1tka n HIS 256 N -2.41 0.95 -1.80 1.25 8.25 -1.26 -5.07 115.22 115.13 1tka n HIS 256 Ca 0.01 -1.63 -0.37 0.00 -0.26 0.00 0.00 57.72 55.48 1tka n HIS 256 Cb 0.22 -0.26 0.06 0.00 1.12 0.00 0.00 29.99 31.13 1tka n HIS 256 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tka s ALA 257 N -2.92 2.49 0.00 -1.41 0.00 -1.08 -1.60 121.76 117.25 1tka s ALA 257 Ca 0.40 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1tka s ALA 257 Cb 0.38 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1tka s ALA 257 CO -0.05 -1.47 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1tka n GLY 258 N 0.80 2.16 3.89 0.00 0.00 0.84 -4.96 105.19 107.92 1tka n GLY 258 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1tka n GLY 258 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tka s SER 259 N -2.37 5.93 0.00 1.61 0.15 -0.63 -4.91 113.70 113.48 1tka s SER 259 Ca 0.00 1.05 0.26 0.00 0.70 0.00 0.00 55.95 57.96 1tka s SER 259 Cb 0.00 -2.11 0.61 0.00 -1.71 0.00 0.00 66.02 62.81 1tka s SER 259 CO 0.00 -0.92 1.48 0.00 1.20 0.00 0.00 173.24 174.99 1tka n HIS 260 N -2.62 0.00 1.77 3.44 1.44 -1.26 -3.60 115.22 114.39 1tka n HIS 260 Ca 0.04 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.91 1tka n HIS 260 Cb 0.56 -0.09 0.81 0.00 0.12 0.00 0.00 29.99 31.40 1tka n HIS 260 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1tka n SER 261 N -0.42 0.29 -0.70 4.39 3.41 -1.26 -2.68 113.62 116.65 1tka n SER 261 Ca 0.12 -0.91 0.13 0.00 -0.26 0.00 0.00 58.87 57.95 1tka n SER 261 Cb 0.38 -0.05 0.27 0.00 -0.26 0.00 0.00 64.21 64.55 1tka n SER 261 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1tka n VAL 262 N -0.85 0.00 0.07 -3.33 3.14 -1.24 -4.40 118.33 111.72 1tka n VAL 262 Ca 0.21 -0.37 -0.10 0.00 -2.96 0.00 0.00 64.34 61.12 1tka n VAL 262 Cb 0.19 1.03 -0.01 0.00 -1.06 0.00 0.00 33.84 33.99 1tka n VAL 262 CO 0.00 0.00 0.00 -0.74 -6.46 0.00 0.00 176.83 169.63 1tka h HIS 263 N 3.45 0.44 0.00 1.45 2.76 -1.73 -0.02 115.15 121.50 1tka h HIS 263 Ca 0.00 -0.23 -0.16 0.00 -2.20 0.00 0.00 60.37 57.78 1tka h HIS 263 Cb 0.76 -0.05 -0.14 0.00 1.55 0.00 0.00 27.41 29.53 1tka h HIS 263 CO 0.00 1.04 -0.26 0.41 -1.30 0.00 0.00 177.93 177.81 1tka n GLY 264 N 0.85 1.75 3.03 5.26 0.00 -1.26 -4.22 105.19 110.60 1tka n GLY 264 Ca -0.05 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1tka n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka s ALA 265 N 0.11 0.35 0.40 4.61 0.00 -0.96 -4.43 121.76 121.83 1tka s ALA 265 Ca 0.08 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 1tka s ALA 265 Cb 0.38 0.14 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 1tka s ALA 265 CO -0.11 -0.15 1.49 -2.14 0.00 0.00 0.00 175.76 174.84 1tka s PRO 266 N -1.95 3.99 0.45 0.00 0.02 -1.26 -4.33 135.00 131.92 1tka s PRO 266 Ca -0.10 2.56 -0.24 0.00 0.02 0.00 0.00 61.00 63.24 1tka s PRO 266 Cb -0.07 -2.88 -0.07 0.00 0.02 0.00 0.00 34.50 31.49 1tka s PRO 266 CO -0.02 -0.63 1.27 -0.51 -0.33 0.00 0.00 177.00 176.78 1tka s LEU 267 N -2.27 4.08 0.56 -5.54 1.43 -1.26 -4.95 118.68 110.72 1tka s LEU 267 Ca 0.55 2.56 -0.20 0.00 -1.03 0.00 0.00 54.13 56.01 1tka s LEU 267 Cb -0.46 -4.09 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 1tka s LEU 267 CO 0.62 -1.01 1.24 -0.54 0.23 0.00 0.00 176.35 176.89 1tka s LYS 268 N -2.52 3.14 0.36 1.70 -0.14 -1.26 -4.76 119.74 116.27 1tka s LYS 268 Ca 0.62 1.93 0.12 0.00 -1.36 0.00 0.00 55.97 57.28 1tka s LYS 268 Cb -0.35 -2.10 0.92 0.00 -1.68 0.00 0.00 37.83 34.62 1tka s LYS 268 CO 0.44 -1.10 1.80 0.00 -0.76 0.00 0.00 175.35 175.73 1tka h ALA 269 N 1.24 1.95 0.00 5.17 0.00 -2.00 0.35 119.26 125.97 1tka h ALA 269 Ca -0.50 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 1tka h ALA 269 Cb 1.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1tka h ALA 269 CO 0.56 -0.31 -0.65 -0.44 0.00 0.00 0.00 179.25 178.41 1tka h ASP 270 N 0.58 0.00 0.01 0.00 3.32 -2.00 -2.87 116.42 115.47 1tka h ASP 270 Ca 0.56 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.45 1tka h ASP 270 Cb 1.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1tka h ASP 270 CO -0.31 0.40 -0.52 -0.78 -1.72 0.00 0.00 179.24 176.31 1tka h ASP 271 N 0.00 0.61 -0.36 6.45 3.58 -0.71 -2.35 116.42 123.65 1tka h ASP 271 Ca -0.04 -0.32 -0.09 0.00 0.42 0.00 0.00 57.03 57.01 1tka h ASP 271 Cb 1.34 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.19 1tka h ASP 271 CO 0.05 1.02 -0.09 0.58 -2.88 0.00 0.00 179.24 177.92 1tka h VAL 272 N 0.43 1.25 -0.24 2.25 2.07 -1.18 -2.78 116.25 118.06 1tka h VAL 272 Ca 0.01 -1.14 -0.17 0.00 0.82 0.00 0.00 66.70 66.23 1tka h VAL 272 Cb 1.06 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1tka h VAL 272 CO 0.10 0.39 -0.53 0.11 0.02 0.00 0.00 177.57 177.66 1tka h LYS 273 N 0.71 0.71 -0.53 1.57 1.57 -1.32 -1.79 116.57 117.49 1tka h LYS 273 Ca 0.12 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1tka h LYS 273 Cb 0.57 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1tka h LYS 273 CO 0.03 1.06 0.12 -0.56 -0.57 0.00 0.00 179.45 179.53 1tka h GLN 274 N 0.55 0.86 -0.02 3.15 -0.00 -1.26 -2.08 115.11 116.32 1tka h GLN 274 Ca 0.02 -0.21 -0.22 0.00 -0.00 0.00 0.00 58.65 58.23 1tka h GLN 274 Cb 1.10 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 1tka h GLN 274 CO 0.11 0.82 -0.91 1.37 -0.00 0.00 0.00 178.83 180.23 1tka h LEU 275 N 0.75 0.56 -0.18 0.06 -0.00 -1.52 0.16 115.31 115.14 1tka h LEU 275 Ca 0.17 -0.43 0.04 0.00 -0.00 0.00 0.00 57.88 57.65 1tka h LEU 275 Cb 0.36 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.81 1tka h LEU 275 CO 0.00 1.22 -0.06 0.11 -0.00 0.00 0.00 178.44 179.72 1tka h LYS 276 N 0.26 -0.02 -0.20 0.17 1.57 -1.19 -0.23 116.57 116.93 1tka h LYS 276 Ca -0.07 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1tka h LYS 276 Cb 1.53 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.79 1tka h LYS 276 CO 0.16 -0.01 -0.14 0.77 -0.57 0.00 0.00 179.45 179.66 1tka h SER 277 N -0.02 -0.44 -0.82 0.86 0.02 -1.23 0.18 113.55 112.10 1tka h SER 277 Ca 0.09 0.09 0.16 0.00 -0.84 0.00 0.00 61.79 61.29 1tka h SER 277 Cb 0.15 0.23 -0.10 0.00 0.14 0.00 0.00 62.40 62.82 1tka h SER 277 CO -0.19 -0.17 0.37 0.50 -1.14 0.00 0.00 176.83 176.20 1tka h LYS 278 N -0.13 0.50 -0.55 3.45 3.64 -0.57 0.01 116.57 122.92 1tka h LYS 278 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1tka h LYS 278 Cb 0.31 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1tka h LYS 278 CO -0.28 0.33 0.00 1.19 -2.27 0.00 0.00 179.45 178.42 1tka n PHE 279 N -4.95 0.75 -1.92 1.91 3.72 -0.13 -4.88 117.46 111.96 1tka n PHE 279 Ca 0.17 -0.31 -0.06 0.00 -0.05 0.00 0.00 57.45 57.19 1tka n PHE 279 Cb 0.46 -0.13 -0.01 0.00 -0.94 0.00 0.00 39.48 38.86 1tka n PHE 279 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tka n GLY 280 N 0.80 0.27 3.80 1.37 0.00 -0.01 -4.98 105.19 106.44 1tka n GLY 280 Ca 0.14 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 1tka n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tka s PHE 281 N -2.31 2.76 -0.29 1.61 0.40 0.51 -4.98 117.98 115.68 1tka s PHE 281 Ca 0.00 -0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 55.70 1tka s PHE 281 Cb 0.00 -1.83 -0.00 0.00 0.51 0.00 0.00 43.02 41.70 1tka s PHE 281 CO 0.00 0.18 0.77 1.21 0.70 0.00 0.00 175.22 178.09 1tka s ASN 282 N -3.95 6.67 0.20 1.36 2.47 -1.26 -2.87 114.94 117.55 1tka s ASN 282 Ca 0.41 0.70 0.03 0.00 0.42 0.00 0.00 52.86 54.42 1tka s ASN 282 Cb -0.03 -2.40 0.53 0.00 -1.45 0.00 0.00 41.25 37.90 1tka s ASN 282 CO 0.25 -0.58 1.00 -0.81 -3.72 0.00 0.00 177.10 173.24 1tka n PRO 283 N 6.13 -0.05 -0.62 0.43 -0.04 -1.26 -2.44 135.00 137.14 1tka n PRO 283 Ca 0.03 0.95 0.09 0.00 -0.04 0.00 0.00 63.50 64.53 1tka n PRO 283 Cb 0.48 -1.52 0.36 0.00 -0.04 0.00 0.00 33.50 32.78 1tka n PRO 283 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1tka n ASP 284 N -4.79 4.77 -4.35 3.54 8.00 -1.26 -4.72 116.55 117.74 1tka n ASP 284 Ca 0.16 -2.44 -0.28 0.00 0.71 0.00 0.00 54.79 52.94 1tka n ASP 284 Cb 0.53 -0.58 -0.13 0.00 -0.02 0.00 0.00 41.12 40.91 1tka n ASP 284 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tka s LYS 285 N -1.84 1.39 0.06 -1.24 1.02 -1.02 -5.17 119.74 112.94 1tka s LYS 285 Ca 0.51 -1.24 0.01 0.00 0.02 0.00 0.00 55.97 55.27 1tka s LYS 285 Cb 0.33 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.84 1tka s LYS 285 CO 0.25 0.42 -0.05 -1.54 -0.92 0.00 0.00 175.35 173.51 1tka s SER 286 N -1.83 0.74 -1.18 2.83 1.04 -1.26 -4.86 113.70 109.18 1tka s SER 286 Ca 0.11 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 1tka s SER 286 Cb -0.10 0.13 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 1tka s SER 286 CO 0.05 -0.46 0.88 0.49 0.98 0.00 0.00 173.24 175.17 1tka n PHE 287 N 0.42 -2.16 -3.74 5.02 3.72 -1.26 -4.99 117.46 114.47 1tka n PHE 287 Ca -0.16 0.84 -0.38 0.00 -0.05 0.00 0.00 57.45 57.71 1tka n PHE 287 Cb 0.59 -4.48 -0.12 0.00 -0.94 0.00 0.00 39.48 34.53 1tka n PHE 287 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1tka s VAL 288 N -3.46 3.91 -0.23 -4.37 1.01 -1.26 -5.08 120.40 110.92 1tka s VAL 288 Ca 0.17 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 1tka s VAL 288 Cb -0.03 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.22 1tka s VAL 288 CO 0.77 -0.09 -0.05 -0.69 0.00 0.00 0.00 175.10 175.04 1tka s VAL 289 N 1.45 3.10 0.26 2.92 1.01 -1.26 -4.94 120.40 122.94 1tka s VAL 289 Ca 0.00 -0.76 -0.31 0.00 0.00 0.00 0.00 61.98 60.91 1tka s VAL 289 Cb -0.19 -2.48 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 1tka s VAL 289 CO 0.03 0.32 1.59 -2.65 0.00 0.00 0.00 175.10 174.38 1tka n PRO 290 N 4.74 2.57 -0.34 2.72 -0.02 -1.26 -4.90 135.00 138.51 1tka n PRO 290 Ca -0.17 0.92 0.16 0.00 -2.02 0.00 0.00 63.50 62.38 1tka n PRO 290 Cb 0.49 -2.69 0.36 0.00 -0.02 0.00 0.00 33.50 31.64 1tka n PRO 290 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1tka h GLN 291 N 5.11 0.55 -0.06 -0.52 5.75 -2.00 0.62 115.11 124.57 1tka h GLN 291 Ca -0.46 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1tka h GLN 291 Cb 1.23 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.65 1tka h GLN 291 CO 0.82 0.37 0.05 0.93 -2.65 0.00 0.00 178.83 178.35 1tka h GLU 292 N 0.57 0.00 0.02 1.69 3.07 -1.98 0.15 114.58 118.09 1tka h GLU 292 Ca 0.62 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.39 1tka h GLU 292 Cb 1.14 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.06 1tka h GLU 292 CO -0.47 0.00 -0.33 0.28 -1.40 0.00 0.00 179.01 177.09 1tka h VAL 293 N 0.00 1.56 -0.55 3.13 2.07 -1.25 -2.34 116.25 118.87 1tka h VAL 293 Ca 0.03 -2.09 0.10 0.00 0.82 0.00 0.00 66.70 65.56 1tka h VAL 293 Cb 0.13 2.88 -0.08 0.00 -1.52 0.00 0.00 31.29 32.71 1tka h VAL 293 CO -0.00 0.57 0.12 1.88 0.02 0.00 0.00 177.57 180.16 1tka h TYR 294 N -0.50 0.19 -0.75 1.57 0.05 -1.19 -1.72 116.97 114.62 1tka h TYR 294 Ca -0.05 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1tka h TYR 294 Cb 1.12 -0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.82 1tka h TYR 294 CO 0.19 -0.01 0.44 -0.44 -1.05 0.00 0.00 178.16 177.29 1tka h ASP 295 N 0.26 0.91 0.18 3.88 3.32 -0.81 -1.86 116.42 122.30 1tka h ASP 295 Ca 0.28 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1tka h ASP 295 Cb 0.40 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 1tka h ASP 295 CO -0.36 0.72 -0.11 -0.74 -1.72 0.00 0.00 179.24 177.03 1tka h HIS 296 N 1.02 -0.27 0.00 4.55 2.76 -0.79 -2.31 115.15 120.11 1tka h HIS 296 Ca 0.27 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1tka h HIS 296 Cb -0.01 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1tka h HIS 296 CO -0.01 -0.17 -0.28 1.88 -1.30 0.00 0.00 177.93 178.05 1tka h TYR 297 N -0.27 0.00 0.53 5.26 0.05 -1.18 0.80 116.97 122.15 1tka h TYR 297 Ca -0.02 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1tka h TYR 297 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1tka h TYR 297 CO -0.08 0.28 -0.27 0.37 -1.05 0.00 0.00 178.16 177.41 1tka h GLN 298 N 0.00 -0.71 -0.05 4.88 5.75 -0.92 0.68 115.11 124.74 1tka h GLN 298 Ca -0.00 0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1tka h GLN 298 Cb 0.59 0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.30 1tka h GLN 298 CO 0.04 -0.47 -0.07 1.57 -2.65 0.00 0.00 178.83 177.25 1tka h LYS 299 N -0.73 0.13 -0.62 1.69 2.10 -1.21 -1.63 116.57 116.29 1tka h LYS 299 Ca -0.07 -0.08 -0.02 0.00 -2.00 0.00 0.00 60.65 58.49 1tka h LYS 299 Cb 0.57 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 31.88 1tka h LYS 299 CO 0.11 0.62 0.31 1.15 -2.00 0.00 0.00 179.45 179.64 1tka h THR 300 N -0.34 1.20 0.00 0.07 2.02 -0.90 -3.38 112.91 111.58 1tka h THR 300 Ca 0.01 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1tka h THR 300 Cb 0.60 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1tka h THR 300 CO 0.02 0.23 -0.33 -0.38 0.37 0.00 0.00 175.52 175.42 1tka n ILE 301 N -4.37 0.48 0.15 3.11 5.41 0.15 -4.77 119.36 119.54 1tka n ILE 301 Ca 0.06 0.16 -0.13 0.00 1.00 0.00 0.00 62.75 63.83 1tka n ILE 301 Cb 0.12 -1.25 -0.08 0.00 -0.71 0.00 0.00 39.64 37.72 1tka n ILE 301 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1tka h LEU 302 N 0.00 -0.33 -0.89 1.39 5.85 -1.09 -2.36 115.31 117.87 1tka h LEU 302 Ca 0.00 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1tka h LEU 302 Cb 0.33 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1tka h LEU 302 CO 0.00 -0.00 0.42 0.11 -0.34 0.00 0.00 178.44 178.62 1tka h LYS 303 N -0.69 1.21 -0.14 1.25 1.57 -1.53 -1.20 116.57 117.03 1tka h LYS 303 Ca -0.04 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1tka h LYS 303 Cb 0.48 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1tka h LYS 303 CO 0.07 0.92 0.07 -1.35 -0.57 0.00 0.00 179.45 178.59 1tka h PRO 304 N 1.20 0.21 -0.68 3.15 0.11 -1.73 -2.34 132.00 131.92 1tka h PRO 304 Ca 0.29 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 66.38 1tka h PRO 304 Cb 0.10 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.14 1tka h PRO 304 CO -0.04 0.26 0.45 0.78 -0.21 0.00 0.00 178.00 179.24 1tka h GLY 305 N 0.11 0.96 0.56 -0.55 0.00 -1.18 0.11 103.07 103.09 1tka h GLY 305 Ca 0.05 -0.36 0.03 0.00 0.00 0.00 0.00 47.33 47.04 1tka h GLY 305 CO -0.01 0.36 -0.16 -2.08 0.00 0.00 0.00 176.54 174.65 1tka h VAL 306 N 0.93 0.59 -0.09 4.60 2.07 -1.19 0.13 116.25 123.30 1tka h VAL 306 Ca 0.25 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.81 1tka h VAL 306 Cb -0.10 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 1tka h VAL 306 CO -0.05 0.00 -0.25 -0.08 0.02 0.00 0.00 177.57 177.20 1tka h GLU 307 N -0.25 -0.33 -0.68 1.57 4.81 -0.94 -0.26 114.58 118.50 1tka h GLU 307 Ca 0.06 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1tka h GLU 307 Cb 0.34 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1tka h GLU 307 CO -0.18 -0.22 0.45 0.00 -0.73 0.00 0.00 179.01 178.32 1tka h ALA 308 N 0.55 1.66 -0.22 2.92 0.00 -0.47 -0.01 119.26 123.70 1tka h ALA 308 Ca 0.09 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1tka h ALA 308 Cb 0.47 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tka h ALA 308 CO -0.28 0.25 -0.18 -0.97 0.00 0.00 0.00 179.25 178.07 1tka h ASN 309 N 0.77 0.53 -0.89 0.00 -0.00 -0.11 -0.80 115.58 115.09 1tka h ASN 309 Ca 0.28 -0.46 0.02 0.00 -0.00 0.00 0.00 56.30 56.14 1tka h ASN 309 Cb 0.14 -0.15 -0.05 0.00 -0.00 0.00 0.00 38.32 38.26 1tka h ASN 309 CO -0.08 0.88 0.58 -1.13 -0.00 0.00 0.00 177.43 177.68 1tka h ASN 310 N 0.19 0.99 -0.20 1.15 -1.24 -0.33 0.19 115.58 116.34 1tka h ASN 310 Ca 0.04 -0.02 -0.12 0.00 0.71 0.00 0.00 56.30 56.91 1tka h ASN 310 Cb 0.71 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 1tka h ASN 310 CO 0.05 0.70 -0.29 0.11 -1.29 0.00 0.00 177.43 176.70 1tka h LYS 311 N 1.16 0.69 -0.85 6.67 1.79 -0.90 -2.71 116.57 122.43 1tka h LYS 311 Ca 0.34 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.52 1tka h LYS 311 Cb -0.07 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.51 1tka h LYS 311 CO -0.09 0.90 0.55 2.35 -1.08 0.00 0.00 179.45 182.08 1tka h TRP 312 N 0.59 1.05 -0.27 -1.35 7.01 0.49 -1.96 115.95 121.51 1tka h TRP 312 Ca 0.07 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.06 1tka h TRP 312 Cb 0.79 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1tka h TRP 312 CO 0.04 0.64 -0.00 -0.91 -2.79 0.00 0.00 178.44 175.42 1tka h ASN 313 N 1.12 0.37 -0.03 2.65 4.21 -0.82 -0.31 115.58 122.76 1tka h ASN 313 Ca 0.32 -0.06 -0.19 0.00 1.21 0.00 0.00 56.30 57.59 1tka h ASN 313 Cb -0.09 -0.10 0.01 0.00 -1.12 0.00 0.00 38.32 37.03 1tka h ASN 313 CO -0.08 0.43 -0.71 0.07 -1.29 0.00 0.00 177.43 175.85 1tka h LYS 314 N 0.39 0.53 -0.93 0.81 2.10 -1.11 -1.96 116.57 116.39 1tka h LYS 314 Ca 0.09 -0.53 0.06 0.00 -2.00 0.00 0.00 60.65 58.27 1tka h LYS 314 Cb 0.27 0.14 -0.06 0.00 -0.90 0.00 0.00 32.23 31.67 1tka h LYS 314 CO 0.01 1.16 0.59 1.25 -2.00 0.00 0.00 179.45 180.46 1tka h LEU 315 N 0.11 0.94 -0.43 7.07 5.85 -1.22 -1.89 115.31 125.74 1tka h LEU 315 Ca -0.08 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.56 1tka h LEU 315 Cb 1.38 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1tka h LEU 315 CO 0.14 0.60 -0.10 0.15 -0.34 0.00 0.00 178.44 178.89 1tka h PHE 316 N 1.08 0.92 -0.80 1.25 3.57 -1.00 -0.58 116.94 121.40 1tka h PHE 316 Ca 0.40 -0.20 0.08 0.00 3.53 0.00 0.00 57.97 61.78 1tka h PHE 316 Cb 0.16 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.63 1tka h PHE 316 CO -0.02 0.93 0.52 0.77 -2.23 0.00 0.00 178.31 178.29 1tka h SER 317 N 0.65 0.72 0.58 0.41 0.02 -0.68 -0.82 113.55 114.43 1tka h SER 317 Ca 0.11 0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1tka h SER 317 Cb 0.63 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1tka h SER 317 CO 0.04 0.45 -0.64 -0.33 -1.14 0.00 0.00 176.83 175.20 1tka h GLU 318 N 0.81 0.06 -0.43 3.45 3.07 -1.14 -2.78 114.58 117.61 1tka h GLU 318 Ca 0.35 -0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1tka h GLU 318 Cb 0.33 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.22 1tka h GLU 318 CO -0.13 0.68 0.28 -0.92 -1.40 0.00 0.00 179.01 177.52 1tka h TYR 319 N 0.04 0.53 0.00 4.33 3.20 0.31 -1.28 116.97 124.11 1tka h TYR 319 Ca -0.01 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1tka h TYR 319 Cb 1.14 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 1tka h TYR 319 CO 0.01 0.33 -0.21 1.96 -1.64 0.00 0.00 178.16 178.61 1tka h GLN 320 N 0.58 0.00 0.15 1.82 4.20 -1.24 0.27 115.11 120.88 1tka h GLN 320 Ca 0.16 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 1tka h GLN 320 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1tka h GLN 320 CO -0.04 0.21 -0.07 0.87 -0.67 0.00 0.00 178.83 179.13 1tka h LYS 321 N 0.00 -0.19 -0.51 1.46 1.57 -1.16 -3.29 116.57 114.45 1tka h LYS 321 Ca -0.00 0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1tka h LYS 321 Cb 0.38 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1tka h LYS 321 CO 0.03 0.25 0.20 0.87 -0.57 0.00 0.00 179.45 180.23 1tka h LYS 322 N -0.75 0.75 -2.15 3.15 1.79 -0.75 -3.36 116.57 115.26 1tka h LYS 322 Ca -0.02 -0.14 -0.58 0.00 -2.18 0.00 0.00 60.65 57.74 1tka h LYS 322 Cb 0.53 -0.12 -0.41 0.00 -1.58 0.00 0.00 32.23 30.64 1tka h LYS 322 CO 0.03 0.67 -0.77 1.19 -1.08 0.00 0.00 179.45 179.49 1tka n PHE 323 N -4.55 2.50 -0.15 -1.35 3.01 0.89 -4.98 117.46 112.84 1tka n PHE 323 Ca 0.02 -3.96 0.07 0.00 1.01 0.00 0.00 57.45 54.59 1tka n PHE 323 Cb 0.15 -0.49 0.38 0.00 -0.01 0.00 0.00 39.48 39.52 1tka n PHE 323 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1tka h PRO 324 N 3.79 0.68 0.09 -1.08 0.13 -1.71 0.89 132.00 134.79 1tka h PRO 324 Ca 0.15 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.98 1tka h PRO 324 Cb 0.71 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1tka h PRO 324 CO 0.72 0.45 -1.18 1.05 -0.23 0.00 0.00 178.00 178.81 1tka h GLU 325 N 0.70 0.20 0.03 0.86 9.09 -1.94 -1.09 114.58 122.43 1tka h GLU 325 Ca 0.29 -0.35 -0.23 0.00 0.05 0.00 0.00 59.36 59.13 1tka h GLU 325 Cb 0.25 0.13 -0.00 0.00 -1.65 0.00 0.00 28.75 27.48 1tka h GLU 325 CO -0.09 1.16 -0.98 -0.07 0.05 0.00 0.00 179.01 179.08 1tka h LEU 326 N 0.06 0.45 -0.41 3.06 -0.00 -1.55 -2.52 115.31 114.40 1tka h LEU 326 Ca -0.10 -0.38 -0.02 0.00 -0.00 0.00 0.00 57.88 57.38 1tka h LEU 326 Cb 1.91 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 42.42 1tka h LEU 326 CO 0.18 1.20 0.18 1.23 -0.00 0.00 0.00 178.44 181.23 1tka h GLY 327 N 1.45 0.65 0.47 0.83 0.00 -0.94 -1.84 103.07 103.69 1tka h GLY 327 Ca -0.08 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 46.94 1tka h GLY 327 CO 0.16 0.32 -0.21 0.00 0.00 0.00 0.00 176.54 176.82 1tka h ALA 328 N 1.02 -0.24 0.50 3.60 0.00 -1.15 -1.84 119.26 121.15 1tka h ALA 328 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1tka h ALA 328 Cb 0.16 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1tka h ALA 328 CO -0.01 -0.70 -0.50 1.49 0.00 0.00 0.00 179.25 179.53 1tka h GLU 329 N -0.32 -0.97 -0.74 0.00 4.81 -1.41 -2.02 114.58 113.95 1tka h GLU 329 Ca 0.07 0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1tka h GLU 329 Cb 0.41 0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.97 1tka h GLU 329 CO -0.22 -0.64 0.49 1.25 -0.73 0.00 0.00 179.01 179.16 1tka h LEU 330 N -1.00 0.71 -1.21 1.64 5.85 -1.23 -0.17 115.31 119.89 1tka h LEU 330 Ca -0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1tka h LEU 330 Cb 0.87 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1tka h LEU 330 CO -0.07 0.47 0.36 0.00 -0.34 0.00 0.00 178.44 178.86 1tka h ALA 331 N 1.59 1.40 -0.08 1.25 0.00 -1.13 0.17 119.26 122.46 1tka h ALA 331 Ca 0.31 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1tka h ALA 331 Cb 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1tka h ALA 331 CO -0.10 0.50 0.01 -0.09 0.00 0.00 0.00 179.25 179.56 1tka h ARG 332 N 0.92 0.13 -0.61 0.00 2.43 -0.30 -1.20 114.38 115.75 1tka h ARG 332 Ca 0.23 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1tka h ARG 332 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1tka h ARG 332 CO -0.04 0.37 0.36 0.00 -1.51 0.00 0.00 179.97 179.15 1tka h ARG 333 N -0.12 0.83 0.00 0.20 3.08 -0.94 0.10 114.38 117.52 1tka h ARG 333 Ca 0.02 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1tka h ARG 333 Cb 0.30 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.18 1tka h ARG 333 CO 0.00 0.60 0.00 1.28 -1.07 0.00 0.00 179.97 180.78 1tka n LEU 334 N -4.61 0.24 0.00 3.04 4.77 0.57 -0.05 117.00 120.97 1tka n LEU 334 Ca 0.04 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1tka n LEU 334 Cb 0.06 -0.49 0.11 0.00 -2.33 0.00 0.00 43.42 40.76 1tka n LEU 334 CO 0.36 -0.24 0.24 -1.54 -1.33 0.00 0.00 177.39 174.88 1tka n SER 335 N -1.75 0.67 -0.10 -1.43 3.41 -0.44 -4.95 113.62 109.03 1tka n SER 335 Ca 0.04 -0.47 -0.01 0.00 -0.26 0.00 0.00 58.87 58.17 1tka n SER 335 Cb 0.26 0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 64.76 1tka n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tka n GLY 336 N 1.48 0.36 3.90 5.00 0.00 0.93 -5.02 105.19 111.83 1tka n GLY 336 Ca 0.05 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.84 1tka n GLY 336 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tka s GLN 337 N -3.60 3.51 -0.06 1.61 -1.52 -0.40 -5.01 119.66 114.20 1tka s GLN 337 Ca 0.00 -0.21 -0.10 0.00 -1.95 0.00 0.00 55.36 53.10 1tka s GLN 337 Cb 0.00 -3.07 -0.05 0.00 -0.22 0.00 0.00 33.01 29.67 1tka s GLN 337 CO 0.00 0.65 0.26 -1.17 -0.25 0.00 0.00 175.29 174.77 1tka s LEU 338 N -1.94 4.42 -0.10 2.90 2.96 -1.26 -4.30 118.68 121.35 1tka s LEU 338 Ca 0.29 0.67 -0.39 0.00 -0.22 0.00 0.00 54.13 54.48 1tka s LEU 338 Cb -0.13 -2.34 -0.17 0.00 0.50 0.00 0.00 46.19 44.05 1tka s LEU 338 CO 0.18 0.36 1.47 -2.65 -1.32 0.00 0.00 176.35 174.40 1tka n PRO 339 N 1.81 0.94 -1.62 0.98 -0.02 -1.26 -4.79 135.00 131.04 1tka n PRO 339 Ca -0.17 0.34 -0.51 0.00 -2.02 0.00 0.00 63.50 61.14 1tka n PRO 339 Cb 0.54 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 1tka n PRO 339 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tka n ALA 340 N 3.53 -0.46 -2.39 3.55 0.00 -1.26 -1.47 120.51 122.01 1tka n ALA 340 Ca 0.22 0.49 -0.16 0.00 0.00 0.00 0.00 53.44 54.00 1tka n ALA 340 Cb 0.14 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.43 1tka n ALA 340 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tka n ASN 341 N 2.99 -4.68 -0.26 0.00 4.05 -1.26 -4.86 115.26 111.24 1tka n ASN 341 Ca 0.19 0.12 0.21 0.00 0.45 0.00 0.00 54.58 55.55 1tka n ASN 341 Cb 0.21 -3.95 0.54 0.00 1.23 0.00 0.00 39.78 37.81 1tka n ASN 341 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 177.26 178.32 1tka h TRP 342 N 0.00 0.49 -0.04 1.20 5.08 -1.61 -2.43 115.95 118.65 1tka h TRP 342 Ca -0.37 0.02 0.01 0.00 1.08 0.00 0.00 58.89 59.62 1tka h TRP 342 Cb 1.27 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 27.28 1tka h TRP 342 CO 0.64 0.10 0.16 0.93 -1.28 0.00 0.00 178.44 178.99 1tka h GLU 343 N 0.35 0.00 -0.07 0.12 3.07 -1.89 0.28 114.58 116.44 1tka h GLU 343 Ca 0.50 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.34 1tka h GLU 343 Cb 1.34 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 1tka h GLU 343 CO -0.18 0.00 -0.06 0.77 -1.40 0.00 0.00 179.01 178.14 1tka h SER 344 N 0.00 0.09 0.00 1.42 0.02 -1.83 -1.51 113.55 111.73 1tka h SER 344 Ca 0.02 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1tka h SER 344 Cb 0.33 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1tka h SER 344 CO -0.00 0.17 0.00 0.29 -1.14 0.00 0.00 176.83 176.15 1tka n LYS 345 N -4.41 0.88 -2.81 3.45 5.02 0.09 -4.78 118.16 115.60 1tka n LYS 345 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 1tka n LYS 345 Cb 0.17 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.71 1tka n LYS 345 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1tka s LEU 346 N -1.87 4.40 0.49 -0.35 1.43 -0.57 -4.77 118.68 117.45 1tka s LEU 346 Ca 0.37 1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.82 1tka s LEU 346 Cb 0.17 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 1tka s LEU 346 CO 0.28 -0.16 1.17 -2.65 0.23 0.00 0.00 176.35 175.23 1tka n PRO 347 N 3.49 1.52 -4.25 1.29 -0.02 -1.26 -5.09 135.00 130.68 1tka n PRO 347 Ca 0.03 0.55 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 1tka n PRO 347 Cb 0.51 -2.31 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 1tka n PRO 347 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1tka s THR 348 N -1.31 1.19 0.26 3.45 -4.23 -1.26 -4.73 115.64 109.00 1tka s THR 348 Ca 0.67 -1.23 0.03 0.00 -1.18 0.00 0.00 61.69 59.98 1tka s THR 348 Cb -0.47 -1.11 -0.05 0.00 1.34 0.00 0.00 72.50 72.20 1tka s THR 348 CO 0.53 -0.12 0.05 -0.31 -0.54 0.00 0.00 174.62 174.23 1tka s TYR 349 N -1.12 1.63 0.31 3.99 1.51 -1.26 -4.99 117.35 117.42 1tka s TYR 349 Ca 0.00 -1.04 0.03 0.00 -1.01 0.00 0.00 57.07 55.06 1tka s TYR 349 Cb -0.09 -0.98 -0.06 0.00 -0.11 0.00 0.00 41.96 40.72 1tka s TYR 349 CO 0.02 -0.15 0.08 0.95 -1.11 0.00 0.00 175.55 175.34 1tka s THR 350 N -3.53 0.93 -1.55 -0.71 -4.23 -1.26 -4.87 115.64 100.41 1tka s THR 350 Ca 0.34 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1tka s THR 350 Cb 0.07 -2.70 0.05 0.00 1.34 0.00 0.00 72.50 71.27 1tka s THR 350 CO 0.12 0.00 0.85 0.00 -0.54 0.00 0.00 174.62 175.05 1tka n ALA 351 N -0.65 1.39 0.04 3.99 0.00 -1.26 -1.64 120.51 122.38 1tka n ALA 351 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1tka n ALA 351 Cb 0.66 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 19.14 1tka n ALA 351 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1tka h LYS 352 N 0.00 0.42 -7.16 0.00 3.64 -1.94 -3.46 116.57 108.07 1tka h LYS 352 Ca 0.00 -0.28 -0.49 0.00 -1.27 0.00 0.00 60.65 58.60 1tka h LYS 352 Cb 0.02 0.04 0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1tka h LYS 352 CO 0.00 0.89 0.31 -0.51 -2.27 0.00 0.00 179.45 177.87 1tka s ASP 353 N -6.92 6.40 0.80 4.20 1.01 -0.65 -5.00 116.67 116.51 1tka s ASP 353 Ca -0.06 1.34 -0.13 0.00 0.71 0.00 0.00 52.55 54.41 1tka s ASP 353 Cb 0.11 -2.42 0.08 0.00 1.01 0.00 0.00 42.92 41.70 1tka s ASP 353 CO 0.82 -0.66 1.19 -0.44 0.21 0.00 0.00 175.17 176.29 1tka s SER 354 N -3.66 3.70 -0.00 0.27 0.01 -1.26 -4.45 113.70 108.31 1tka s SER 354 Ca 0.54 2.29 -0.30 0.00 1.31 0.00 0.00 55.95 59.79 1tka s SER 354 Cb -0.10 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1tka s SER 354 CO 0.42 -2.59 1.14 0.00 0.41 0.00 0.00 173.24 172.62 1tka s ALA 355 N -2.25 3.38 0.04 1.44 0.00 -1.26 -4.49 121.76 118.61 1tka s ALA 355 Ca 0.71 0.67 0.03 0.00 0.00 0.00 0.00 51.96 53.37 1tka s ALA 355 Cb -0.27 -3.44 -0.02 0.00 0.00 0.00 0.00 23.12 19.39 1tka s ALA 355 CO 0.51 -0.51 -0.08 0.08 0.00 0.00 0.00 175.76 175.75 1tka s VAL 356 N 1.49 0.62 0.54 0.00 1.01 -0.48 -4.63 120.40 118.95 1tka s VAL 356 Ca 0.56 -0.94 -0.21 0.00 0.00 0.00 0.00 61.98 61.39 1tka s VAL 356 Cb -0.25 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1tka s VAL 356 CO 0.26 -0.24 1.21 0.00 0.00 0.00 0.00 175.10 176.33 1tka s ALA 357 N -1.09 2.74 0.32 5.51 0.00 -1.26 -1.23 121.76 126.75 1tka s ALA 357 Ca -0.06 1.02 0.03 0.00 0.00 0.00 0.00 51.96 52.95 1tka s ALA 357 Cb -0.08 -3.44 0.55 0.00 0.00 0.00 0.00 23.12 20.15 1tka s ALA 357 CO 0.01 -1.00 1.85 1.15 0.00 0.00 0.00 175.76 177.77 1tka h THR 358 N 1.31 1.21 -0.43 0.00 2.02 -1.73 -1.76 112.91 113.52 1tka h THR 358 Ca -0.50 -0.82 0.09 0.00 0.77 0.00 0.00 66.41 65.95 1tka h THR 358 Cb 1.28 0.91 -0.08 0.00 -1.74 0.00 0.00 68.15 68.52 1tka h THR 358 CO 0.57 0.28 -0.10 -0.09 0.37 0.00 0.00 175.52 176.56 1tka h ARG 359 N 0.56 0.01 -0.53 6.66 2.43 -1.78 -0.52 114.38 121.21 1tka h ARG 359 Ca 0.12 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 1tka h ARG 359 Cb 0.34 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1tka h ARG 359 CO 0.01 0.01 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.19 1tka h LYS 360 N 0.01 0.96 -0.07 0.20 3.11 -1.63 -2.73 116.57 116.43 1tka h LYS 360 Ca 0.21 -0.33 0.01 0.00 -2.81 0.00 0.00 60.65 57.74 1tka h LYS 360 Cb 0.32 -0.08 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1tka h LYS 360 CO -0.44 0.99 0.05 -0.07 -2.81 0.00 0.00 179.45 177.17 1tka h LEU 361 N 0.87 0.03 -0.07 5.20 3.38 -0.64 -1.93 115.31 122.15 1tka h LEU 361 Ca 0.15 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1tka h LEU 361 Cb 0.61 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1tka h LEU 361 CO 0.04 0.02 0.02 -1.28 0.09 0.00 0.00 178.44 177.33 1tka h SER 362 N 0.03 0.10 -0.97 -0.43 0.87 -0.84 -2.60 113.55 109.71 1tka h SER 362 Ca 0.03 -0.19 0.10 0.00 -1.23 0.00 0.00 61.79 60.50 1tka h SER 362 Cb 0.08 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.94 1tka h SER 362 CO -0.00 0.26 0.60 -0.08 -0.53 0.00 0.00 176.83 177.08 1tka h GLU 363 N -0.06 0.99 -0.76 2.24 4.81 -1.08 -0.94 114.58 119.78 1tka h GLU 363 Ca 0.02 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1tka h GLU 363 Cb 0.19 -0.22 -0.03 0.00 0.63 0.00 0.00 28.75 29.32 1tka h GLU 363 CO -0.00 0.65 0.24 1.15 -0.73 0.00 0.00 179.01 180.32 1tka h THR 364 N 1.02 1.26 -0.33 0.32 2.02 -1.30 -0.44 112.91 115.46 1tka h THR 364 Ca 0.45 -0.91 -0.11 0.00 0.77 0.00 0.00 66.41 66.61 1tka h THR 364 Cb 0.35 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1tka h THR 364 CO -0.23 0.36 -0.25 0.58 0.37 0.00 0.00 175.52 176.35 1tka h VAL 365 N 1.13 1.27 -0.59 3.16 2.07 -0.82 -1.59 116.25 120.89 1tka h VAL 365 Ca 0.25 -1.35 -0.07 0.00 0.82 0.00 0.00 66.70 66.35 1tka h VAL 365 Cb 0.30 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1tka h VAL 365 CO -0.01 0.44 0.11 -0.07 0.02 0.00 0.00 177.57 178.06 1tka h LEU 366 N 0.57 0.92 -1.02 2.57 3.38 -1.09 -1.02 115.31 119.63 1tka h LEU 366 Ca 0.08 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 1tka h LEU 366 Cb 0.74 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1tka h LEU 366 CO 0.06 0.94 0.25 -0.33 0.09 0.00 0.00 178.44 179.45 1tka h GLU 367 N 0.87 0.95 0.00 1.13 4.39 -0.40 -2.80 114.58 118.73 1tka h GLU 367 Ca 0.18 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1tka h GLU 367 Cb 0.40 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1tka h GLU 367 CO 0.01 0.79 -0.53 -0.44 -1.16 0.00 0.00 179.01 177.67 1tka h ASP 368 N 0.94 0.00 0.00 1.42 5.19 -1.07 -3.40 116.42 119.50 1tka h ASP 368 Ca 0.22 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 56.30 1tka h ASP 368 Cb 0.20 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.65 1tka h ASP 368 CO -0.02 0.53 -2.26 1.33 -3.12 0.00 0.00 179.24 175.70 1tka n VAL 369 N -3.24 1.24 -0.21 -1.35 0.24 -0.41 -4.56 118.33 110.04 1tka n VAL 369 Ca 0.02 -0.78 0.27 0.00 -2.04 0.00 0.00 64.34 61.80 1tka n VAL 369 Cb 0.74 -0.49 0.67 0.00 -1.47 0.00 0.00 33.84 33.29 1tka n VAL 369 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1tka h TYR 370 N 0.00 0.16 -0.08 6.34 -0.00 -1.71 0.30 116.97 121.99 1tka h TYR 370 Ca -0.49 0.01 -0.13 0.00 -0.00 0.00 0.00 58.73 58.11 1tka h TYR 370 Cb 2.12 -0.05 -0.01 0.00 -0.00 0.00 0.00 36.73 38.79 1tka h TYR 370 CO 0.00 0.03 -0.52 -2.95 -0.00 0.00 0.00 178.16 174.72 1tka h ASN 371 N 0.11 0.25 0.19 0.10 7.08 -1.83 -3.16 115.58 118.32 1tka h ASN 371 Ca 0.46 -0.12 -0.24 0.00 -3.08 0.00 0.00 56.30 53.32 1tka h ASN 371 Cb 1.62 -0.07 0.01 0.00 -2.08 0.00 0.00 38.32 37.80 1tka h ASN 371 CO -0.06 0.72 -0.94 1.56 -2.08 0.00 0.00 177.43 176.63 1tka h GLN 372 N 0.18 0.53 -3.39 4.14 1.08 -0.69 -3.41 115.11 113.55 1tka h GLN 372 Ca 0.00 -0.54 -0.70 0.00 -1.45 0.00 0.00 58.65 55.96 1tka h GLN 372 Cb 0.98 0.15 -0.36 0.00 -0.05 0.00 0.00 27.48 28.20 1tka h GLN 372 CO 0.08 1.17 -0.20 -0.51 -0.95 0.00 0.00 178.83 178.42 1tka s LEU 373 N -7.91 5.44 0.64 1.46 1.43 -0.70 -4.80 118.68 114.23 1tka s LEU 373 Ca -0.07 -3.44 0.28 0.00 -1.03 0.00 0.00 54.13 49.86 1tka s LEU 373 Cb 0.08 -1.88 1.47 0.00 0.03 0.00 0.00 46.19 45.89 1tka s LEU 373 CO 0.88 -0.24 1.85 1.55 0.23 0.00 0.00 176.35 180.62 1tka h PRO 374 N 6.33 0.00 -0.51 1.29 0.13 -1.81 -1.15 132.00 136.28 1tka h PRO 374 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1tka h PRO 374 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1tka h PRO 374 CO 0.80 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.72 1tka n GLU 375 N -3.14 2.40 -2.78 0.86 0.00 -1.26 -4.86 120.64 111.87 1tka n GLU 375 Ca 0.02 -2.16 -0.43 0.00 0.00 0.00 0.00 57.16 54.60 1tka n GLU 375 Cb 0.53 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 30.44 1tka n GLU 375 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1tka s LEU 376 N -1.21 3.94 -0.11 -1.84 2.96 -0.44 -0.77 118.68 121.21 1tka s LEU 376 Ca 0.40 -0.15 0.03 0.00 -0.22 0.00 0.00 54.13 54.19 1tka s LEU 376 Cb 0.22 -2.98 0.01 0.00 0.50 0.00 0.00 46.19 43.93 1tka s LEU 376 CO 0.29 -1.25 -0.22 -0.51 -1.32 0.00 0.00 176.35 173.34 1tka s ILE 377 N 4.13 1.99 0.42 6.68 2.07 -0.71 -4.95 121.20 130.82 1tka s ILE 377 Ca 0.35 -0.96 0.03 0.00 -1.41 0.00 0.00 60.65 58.66 1tka s ILE 377 Cb -0.11 -1.74 -0.03 0.00 0.13 0.00 0.00 42.46 40.72 1tka s ILE 377 CO 0.22 0.54 0.11 -0.83 -1.91 0.00 0.00 174.94 173.07 1tka s GLY 378 N 0.58 2.62 0.00 1.50 0.00 -0.67 -1.65 107.32 109.70 1tka s GLY 378 Ca -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.38 1tka s GLY 378 CO 0.04 -1.88 0.00 0.61 0.00 0.00 0.00 173.10 171.87 1tka n GLY 379 N -0.94 0.91 3.36 0.20 0.00 -0.98 -0.80 105.19 106.94 1tka n GLY 379 Ca -0.07 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.01 1tka n GLY 379 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tka s SER 380 N -0.17 -0.39 -1.05 1.61 0.15 -1.17 -1.57 113.70 111.12 1tka s SER 380 Ca 0.00 0.31 -0.08 0.00 0.70 0.00 0.00 55.95 56.88 1tka s SER 380 Cb 0.00 0.42 0.26 0.00 -1.71 0.00 0.00 66.02 64.99 1tka s SER 380 CO 0.00 -0.55 1.02 0.00 1.20 0.00 0.00 173.24 174.91 1tka s ALA 381 N -1.51 4.60 -1.30 5.45 0.00 -0.94 -1.42 121.76 126.65 1tka s ALA 381 Ca -0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 51.96 48.00 1tka s ALA 381 Cb -0.02 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1tka s ALA 381 CO 0.05 -2.20 0.33 -3.47 0.00 0.00 0.00 175.76 170.48 1tka n ASP 382 N 2.73 -4.42 -0.74 0.00 2.03 -0.98 -4.63 116.55 110.54 1tka n ASP 382 Ca 0.23 -0.16 0.05 0.00 0.52 0.00 0.00 54.79 55.43 1tka n ASP 382 Cb 0.39 -3.66 0.11 0.00 -0.72 0.00 0.00 41.12 37.25 1tka n ASP 382 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1tka n LEU 383 N -3.46 1.79 -0.27 -2.67 4.77 -1.26 -4.92 117.00 110.98 1tka n LEU 383 Ca -0.09 -2.82 0.07 0.00 -0.03 0.00 0.00 56.01 53.13 1tka n LEU 383 Cb 0.59 -0.29 0.21 0.00 -2.33 0.00 0.00 43.42 41.60 1tka n LEU 383 CO 0.38 0.86 1.02 0.74 -1.33 0.00 0.00 177.39 179.06 1tka h THR 384 N 3.32 0.62 0.00 -5.08 2.02 -1.91 0.18 112.91 112.05 1tka h THR 384 Ca -0.06 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1tka h THR 384 Cb 1.31 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1tka h THR 384 CO 0.03 0.08 0.00 1.55 0.37 0.00 0.00 175.52 177.55 1tka h PRO 385 N 0.43 0.00 0.04 6.66 0.13 -1.99 -1.50 132.00 135.77 1tka h PRO 385 Ca 0.44 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 65.19 1tka h PRO 385 Cb 0.71 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.78 1tka h PRO 385 CO -0.43 0.00 -2.32 0.43 -0.23 0.00 0.00 178.00 175.45 1tka n SER 386 N -2.52 2.03 0.19 1.44 7.64 0.44 -4.27 113.62 118.58 1tka n SER 386 Ca 0.02 -0.02 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1tka n SER 386 Cb 0.27 -0.56 0.12 0.00 -1.01 0.00 0.00 64.21 63.03 1tka n SER 386 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1tka h ASN 387 N 0.02 0.00 -5.93 6.43 2.35 -1.09 -3.48 115.58 113.87 1tka h ASN 387 Ca -0.53 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 54.85 1tka h ASN 387 Cb 1.94 0.00 0.11 0.00 0.05 0.00 0.00 38.32 40.42 1tka h ASN 387 CO -0.03 0.09 -0.85 0.18 -1.65 0.00 0.00 177.43 175.16 1tka n LEU 388 N -3.05 -3.71 -0.77 1.61 4.77 -0.57 -4.88 117.00 110.40 1tka n LEU 388 Ca 0.03 -0.82 0.07 0.00 -0.03 0.00 0.00 56.01 55.26 1tka n LEU 388 Cb 0.57 -2.78 0.18 0.00 -2.33 0.00 0.00 43.42 39.06 1tka n LEU 388 CO 0.36 0.35 0.65 1.07 -1.33 0.00 0.00 177.39 178.49 1tka n THR 389 N -4.01 0.94 -5.25 -5.08 5.66 -1.24 -4.25 114.28 101.06 1tka n THR 389 Ca -0.21 -0.97 -0.31 0.00 -3.05 0.00 0.00 64.05 59.51 1tka n THR 389 Cb 0.65 0.55 -0.16 0.00 -1.55 0.00 0.00 70.33 69.82 1tka n THR 389 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1tka s ARG 390 N -1.01 2.16 0.47 1.09 3.52 -1.26 -4.68 118.95 119.24 1tka s ARG 390 Ca 0.28 -0.90 -0.07 0.00 -0.13 0.00 0.00 55.73 54.90 1tka s ARG 390 Cb 0.14 -2.09 -0.04 0.00 -1.56 0.00 0.00 34.95 31.40 1tka s ARG 390 CO 0.19 0.57 0.80 1.67 -0.81 0.00 0.00 175.30 177.72 1tka s TRP 391 N -0.63 3.54 0.21 5.12 -2.14 -1.26 -4.97 118.94 118.80 1tka s TRP 391 Ca 0.10 0.92 -0.00 0.00 2.66 0.00 0.00 56.10 59.78 1tka s TRP 391 Cb -0.10 -2.38 0.15 0.00 -3.10 0.00 0.00 33.47 28.04 1tka s TRP 391 CO -0.01 -0.26 1.51 -0.22 -2.66 0.00 0.00 176.95 175.31 1tka h LYS 392 N 0.49 0.42 -1.11 3.25 3.64 -1.97 -2.91 116.57 118.37 1tka h LYS 392 Ca -0.47 -0.28 -0.15 0.00 -1.27 0.00 0.00 60.65 58.48 1tka h LYS 392 Cb 1.20 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 1tka h LYS 392 CO 0.62 0.89 0.19 -1.91 -2.27 0.00 0.00 179.45 176.97 1tka n GLU 393 N -3.91 1.36 -2.49 1.90 2.13 -1.26 -4.96 120.64 113.40 1tka n GLU 393 Ca -0.03 -0.83 -0.25 0.00 0.66 0.00 0.00 57.16 56.71 1tka n GLU 393 Cb 0.62 -1.32 0.04 0.00 0.27 0.00 0.00 31.44 31.05 1tka n GLU 393 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1tka s ALA 394 N -0.92 3.46 -0.05 4.31 0.00 -1.10 -5.09 121.76 122.36 1tka s ALA 394 Ca 0.16 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 1tka s ALA 394 Cb 0.13 -2.42 0.04 0.00 0.00 0.00 0.00 23.12 20.87 1tka s ALA 394 CO 0.02 -0.85 0.11 -1.17 0.00 0.00 0.00 175.76 173.87 1tka s LEU 395 N -4.94 0.69 0.52 0.00 2.96 -1.26 -5.08 118.68 111.57 1tka s LEU 395 Ca 0.55 0.21 -0.21 0.00 -0.22 0.00 0.00 54.13 54.47 1tka s LEU 395 Cb -0.10 0.19 -0.06 0.00 0.50 0.00 0.00 46.19 46.72 1tka s LEU 395 CO 0.42 -0.16 1.17 -1.81 -1.32 0.00 0.00 176.35 174.66 1tka s ASP 396 N 1.35 5.79 -0.60 3.68 1.11 -1.26 -0.93 116.67 125.81 1tka s ASP 396 Ca -0.07 2.31 -0.28 0.00 0.18 0.00 0.00 52.55 54.69 1tka s ASP 396 Cb -0.12 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.29 1tka s ASP 396 CO -0.05 -1.18 1.32 0.12 1.18 0.00 0.00 175.17 176.56 1tka s PHE 397 N -1.61 2.39 0.15 4.23 5.36 -0.42 -2.32 117.98 125.75 1tka s PHE 397 Ca 0.70 0.37 -0.10 0.00 -0.96 0.00 0.00 56.93 56.93 1tka s PHE 397 Cb -0.28 -4.47 -0.00 0.00 -0.34 0.00 0.00 43.02 37.93 1tka s PHE 397 CO 0.33 -1.86 0.31 -0.65 -1.46 0.00 0.00 175.22 171.89 1tka s GLN 398 N 5.37 1.13 0.26 10.12 -1.52 -0.63 -4.75 119.66 129.65 1tka s GLN 398 Ca 0.46 -1.07 -0.30 0.00 -1.95 0.00 0.00 55.36 52.50 1tka s GLN 398 Cb -0.09 0.40 -0.11 0.00 -0.22 0.00 0.00 33.01 32.99 1tka s GLN 398 CO 0.23 -0.42 1.53 -2.14 -0.25 0.00 0.00 175.29 174.25 1tka s PRO 399 N -3.93 4.19 0.00 2.91 0.02 -1.26 -1.67 135.00 135.25 1tka s PRO 399 Ca 0.13 2.45 0.00 0.00 0.02 0.00 0.00 61.00 63.60 1tka s PRO 399 Cb 0.03 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1tka s PRO 399 CO -0.03 -0.55 0.00 -2.30 -0.33 0.00 0.00 177.00 173.79 1tka n PRO 400 N 2.43 0.00 0.13 5.54 -0.01 -1.26 -0.47 135.00 141.36 1tka n PRO 400 Ca 0.08 0.00 0.01 0.00 -0.01 0.00 0.00 63.50 63.58 1tka n PRO 400 Cb 0.39 0.00 0.31 0.00 -0.01 0.00 0.00 33.50 34.19 1tka n PRO 400 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1tka h SER 401 N 0.00 0.15 -0.37 2.55 4.64 -1.91 -3.26 113.55 115.35 1tka h SER 401 Ca 0.00 -0.05 0.11 0.00 -0.47 0.00 0.00 61.79 61.38 1tka h SER 401 Cb 0.00 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1tka h SER 401 CO 0.00 0.48 0.32 0.77 -0.87 0.00 0.00 176.83 177.53 1tka h SER 402 N 0.13 0.00 0.00 4.97 4.64 -1.06 -3.45 113.55 118.78 1tka h SER 402 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1tka h SER 402 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1tka h SER 402 CO 0.05 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.62 1tka n GLY 403 N -1.53 0.68 0.30 -0.77 0.00 -1.23 -4.77 105.19 97.86 1tka n GLY 403 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1tka n GLY 403 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tka n SER 404 N 0.00 1.50 0.00 1.61 3.41 -1.26 -5.07 113.62 113.81 1tka n SER 404 Ca 0.00 -1.25 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 1tka n SER 404 Cb 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 1tka n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tka n GLY 405 N 0.67 -1.47 3.39 5.00 0.00 -1.26 -4.45 105.19 107.07 1tka n GLY 405 Ca 0.05 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 1tka n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tka s ASN 406 N -2.30 0.99 0.05 1.61 2.20 -0.98 -4.12 114.94 112.38 1tka s ASN 406 Ca 0.00 -1.52 0.11 0.00 -0.94 0.00 0.00 52.86 50.50 1tka s ASN 406 Cb 0.00 0.58 0.48 0.00 -2.00 0.00 0.00 41.25 40.31 1tka s ASN 406 CO 0.00 -1.15 1.34 -1.22 -2.94 0.00 0.00 177.10 173.13 1tka n TYR 407 N -0.53 0.14 1.55 1.54 4.01 -0.67 -0.98 117.16 122.21 1tka n TYR 407 Ca 0.03 0.06 0.14 0.00 -0.16 0.00 0.00 57.90 57.97 1tka n TYR 407 Cb 0.62 -0.60 0.59 0.00 -0.31 0.00 0.00 39.34 39.64 1tka n TYR 407 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1tka n SER 408 N -1.63 1.13 -4.74 7.72 3.41 -1.26 -3.69 113.62 114.56 1tka n SER 408 Ca 0.02 -1.29 -0.35 0.00 -0.26 0.00 0.00 58.87 56.99 1tka n SER 408 Cb 0.11 0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 1tka n SER 408 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1tka s GLY 409 N -2.08 2.45 -0.12 5.00 0.00 -0.15 -4.96 107.32 107.45 1tka s GLY 409 Ca 0.38 0.87 0.15 0.00 0.00 0.00 0.00 44.72 46.12 1tka s GLY 409 CO 0.37 1.26 1.15 0.54 0.00 0.00 0.00 173.10 176.41 1tka n ARG 410 N -2.30 1.12 -3.73 2.90 1.74 -0.10 -4.09 116.66 112.19 1tka n ARG 410 Ca 0.13 -2.49 -0.27 0.00 -0.77 0.00 0.00 57.85 54.45 1tka n ARG 410 Cb 0.50 -1.32 -0.17 0.00 -1.02 0.00 0.00 32.46 30.45 1tka n ARG 410 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1tka s TYR 411 N -2.44 0.92 -0.10 -1.55 5.04 -1.16 -1.67 117.35 116.38 1tka s TYR 411 Ca 0.29 -0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 54.05 1tka s TYR 411 Cb 0.27 -0.97 -0.05 0.00 0.35 0.00 0.00 41.96 41.56 1tka s TYR 411 CO -0.00 -0.56 0.39 0.42 -1.34 0.00 0.00 175.55 174.46 1tka s ILE 412 N 1.89 5.19 -0.57 3.14 1.01 0.02 -1.30 121.20 130.59 1tka s ILE 412 Ca 0.00 0.77 -0.18 0.00 0.00 0.00 0.00 60.65 61.25 1tka s ILE 412 Cb -0.16 -3.72 0.11 0.00 0.01 0.00 0.00 42.46 38.70 1tka s ILE 412 CO -0.08 0.42 0.63 -0.13 0.00 0.00 0.00 174.94 175.78 1tka s ARG 413 N 0.10 3.03 0.38 2.79 1.81 -1.26 -3.02 118.95 122.77 1tka s ARG 413 Ca 0.22 -1.43 0.25 0.00 -1.72 0.00 0.00 55.73 53.05 1tka s ARG 413 Cb -0.15 -4.27 0.59 0.00 -0.45 0.00 0.00 34.95 30.68 1tka s ARG 413 CO 0.09 -1.45 1.70 1.88 -0.68 0.00 0.00 175.30 176.84 1tka h TYR 414 N 9.07 0.00 -0.01 -0.53 0.05 -1.64 -3.49 116.97 120.42 1tka h TYR 414 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1tka h TYR 414 Cb 1.09 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.83 1tka h TYR 414 CO 0.79 0.00 -0.00 0.41 -1.05 0.00 0.00 178.16 178.31 1tka n GLY 415 N 1.02 -2.12 3.44 3.88 0.00 -1.26 -4.21 105.19 105.95 1tka n GLY 415 Ca 0.04 -1.44 -0.44 0.00 0.00 0.00 0.00 46.02 44.18 1tka n GLY 415 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tka s ILE 416 N -0.09 5.12 -0.41 -0.61 1.09 -1.26 -2.32 121.20 122.73 1tka s ILE 416 Ca 0.00 -2.53 0.09 0.00 -1.10 0.00 0.00 60.65 57.11 1tka s ILE 416 Cb 0.00 -4.83 0.30 0.00 -1.06 0.00 0.00 42.46 36.88 1tka s ILE 416 CO 0.00 -1.52 0.79 0.54 -0.10 0.00 0.00 174.94 174.65 1tka n ARG 417 N 5.38 0.89 0.05 2.79 1.74 -1.26 -5.02 116.66 121.23 1tka n ARG 417 Ca 0.32 -2.80 -0.14 0.00 -0.77 0.00 0.00 57.85 54.45 1tka n ARG 417 Cb 0.44 -1.41 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1tka n ARG 417 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1tka h GLU 418 N 3.37 -0.59 -0.67 5.56 3.07 -1.92 -1.30 114.58 122.11 1tka h GLU 418 Ca 0.01 0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 58.86 1tka h GLU 418 Cb 0.99 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.00 1tka h GLU 418 CO 0.39 -0.39 0.19 1.25 -1.40 0.00 0.00 179.01 179.05 1tka h HIS 419 N -0.61 1.09 0.12 4.33 2.76 -1.90 -1.71 115.15 119.24 1tka h HIS 419 Ca 0.04 -0.12 0.02 0.00 -2.20 0.00 0.00 60.37 58.11 1tka h HIS 419 Cb 0.69 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 1tka h HIS 419 CO -0.48 0.89 -0.37 0.00 -1.30 0.00 0.00 177.93 176.67 1tka h ALA 420 N 1.08 -0.64 -0.61 5.26 0.00 -1.82 -2.55 119.26 119.99 1tka h ALA 420 Ca 0.21 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.19 1tka h ALA 420 Cb 0.32 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 1tka h ALA 420 CO -0.00 -0.92 0.00 1.98 0.00 0.00 0.00 179.25 180.31 1tka h MET 421 N -0.60 0.12 -0.92 0.00 -1.53 -0.43 0.39 114.93 111.96 1tka h MET 421 Ca 0.03 -0.01 -0.00 0.00 -3.44 0.00 0.00 59.70 56.28 1tka h MET 421 Cb 0.63 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.61 1tka h MET 421 CO -0.22 0.08 0.57 0.78 0.14 0.00 0.00 176.91 178.26 1tka h GLY 422 N 0.12 1.32 1.53 1.39 0.00 -1.12 0.25 103.07 106.56 1tka h GLY 422 Ca 0.32 -0.53 -0.18 0.00 0.00 0.00 0.00 47.33 46.93 1tka h GLY 422 CO -0.52 0.52 -0.67 0.00 0.00 0.00 0.00 176.54 175.87 1tka h ALA 423 N 1.37 0.62 -0.38 3.60 0.00 -0.87 -2.48 119.26 121.10 1tka h ALA 423 Ca 0.33 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.51 1tka h ALA 423 Cb -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1tka h ALA 423 CO -0.06 0.73 -0.38 0.82 0.00 0.00 0.00 179.25 180.36 1tka h ILE 424 N 0.34 1.27 -0.63 0.00 2.04 -0.02 -1.80 117.51 118.70 1tka h ILE 424 Ca -0.02 -1.55 0.04 0.00 1.00 0.00 0.00 64.86 64.33 1tka h ILE 424 Cb 1.24 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 38.64 1tka h ILE 424 CO 0.12 0.52 0.37 0.24 0.00 0.00 0.00 178.15 179.40 1tka h MET 425 N 0.76 0.69 -0.92 2.37 2.86 -0.95 -0.57 114.93 119.17 1tka h MET 425 Ca 0.06 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 1tka h MET 425 Cb 0.97 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.42 1tka h MET 425 CO 0.09 0.46 0.59 -0.91 1.06 0.00 0.00 176.91 178.20 1tka h ASN 426 N 0.71 0.97 -0.13 1.22 2.35 -1.23 -1.54 115.58 117.93 1tka h ASN 426 Ca 0.26 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1tka h ASN 426 Cb 0.09 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 1tka h ASN 426 CO -0.13 0.66 0.08 1.23 -1.65 0.00 0.00 177.43 177.62 1tka h GLY 427 N 1.13 0.19 0.74 2.83 0.00 -0.28 0.18 103.07 107.85 1tka h GLY 427 Ca 0.37 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.66 1tka h GLY 427 CO -0.13 0.07 0.11 -2.22 0.00 0.00 0.00 176.54 174.37 1tka h ILE 428 N 0.16 0.91 0.33 2.60 2.04 -0.95 -2.38 117.51 120.22 1tka h ILE 428 Ca 0.05 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1tka h ILE 428 Cb 0.01 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1tka h ILE 428 CO -0.01 0.04 -0.16 -1.28 0.00 0.00 0.00 178.15 176.74 1tka h SER 429 N 0.24 -0.38 0.11 1.72 0.87 -1.22 -3.19 113.55 111.70 1tka h SER 429 Ca 0.14 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1tka h SER 429 Cb 0.11 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1tka h SER 429 CO -0.14 -0.18 0.00 0.00 -0.53 0.00 0.00 176.83 175.98 1tka h ALA 430 N 0.07 1.00 -0.02 6.23 0.00 -0.29 -2.38 119.26 123.86 1tka h ALA 430 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tka h ALA 430 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1tka h ALA 430 CO 0.08 0.00 0.01 0.35 0.00 0.00 0.00 179.25 179.69 1tka h PHE 431 N 0.00 0.03 0.00 0.00 3.57 -1.42 -3.50 116.94 115.62 1tka h PHE 431 Ca 0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1tka h PHE 431 Cb 0.05 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.78 1tka h PHE 431 CO 0.00 0.07 0.00 0.41 -2.23 0.00 0.00 178.31 176.56 1tka n GLY 432 N -0.96 0.28 4.09 2.40 0.00 -0.90 -4.99 105.19 105.11 1tka n GLY 432 Ca -0.07 -2.07 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 1tka n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka n ALA 433 N -1.00 -1.45 -2.86 4.61 0.00 -1.26 -1.92 120.51 116.63 1tka n ALA 433 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1tka n ALA 433 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 19.45 16.23 1tka n ALA 433 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tka n ASN 434 N -2.78 -1.98 -4.71 0.00 5.15 -1.10 -4.72 115.26 105.12 1tka n ASN 434 Ca -0.03 0.11 -0.42 0.00 -0.60 0.00 0.00 54.58 53.64 1tka n ASN 434 Cb 0.55 -1.76 -0.03 0.00 -0.53 0.00 0.00 39.78 38.00 1tka n ASN 434 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1tka s TYR 435 N -2.39 2.67 -0.52 1.20 2.02 -0.81 -4.83 117.35 114.69 1tka s TYR 435 Ca 0.16 0.26 0.02 0.00 -0.37 0.00 0.00 57.07 57.14 1tka s TYR 435 Cb -0.09 -4.12 0.13 0.00 -0.40 0.00 0.00 41.96 37.49 1tka s TYR 435 CO 0.19 -4.36 0.29 0.15 -1.57 0.00 0.00 175.55 170.25 1tka s LYS 436 N 1.72 2.10 0.32 -0.62 -0.14 0.05 -4.63 119.74 118.54 1tka s LYS 436 Ca 0.76 -2.47 -0.26 0.00 -1.36 0.00 0.00 55.97 52.64 1tka s LYS 436 Cb -0.47 -3.45 -0.10 0.00 -1.68 0.00 0.00 37.83 32.13 1tka s LYS 436 CO 0.33 -1.11 0.95 -1.25 -0.76 0.00 0.00 175.35 173.52 1tka s PRO 437 N -0.01 4.58 0.18 -1.68 0.04 -1.26 -1.73 135.00 135.13 1tka s PRO 437 Ca 0.16 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 62.50 1tka s PRO 437 Cb -0.23 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 1tka s PRO 437 CO -0.02 0.27 0.22 1.52 0.04 0.00 0.00 177.00 179.03 1tka s TYR 438 N -1.58 0.69 -0.25 0.56 1.13 -0.66 -2.46 117.35 114.79 1tka s TYR 438 Ca 0.50 -1.02 -0.26 0.00 -1.41 0.00 0.00 57.07 54.88 1tka s TYR 438 Cb -0.20 -0.24 0.10 0.00 -1.10 0.00 0.00 41.96 40.53 1tka s TYR 438 CO 0.25 -0.70 0.91 0.20 -2.51 0.00 0.00 175.55 173.71 1tka s GLY 439 N -3.04 -0.31 0.20 5.49 0.00 -0.98 -2.31 107.32 106.37 1tka s GLY 439 Ca 0.25 2.32 0.07 0.00 0.00 0.00 0.00 44.72 47.35 1tka s GLY 439 CO 0.05 1.65 0.09 -0.32 0.00 0.00 0.00 173.10 174.57 1tka s GLY 440 N 0.01 1.64 0.00 0.20 0.00 -0.60 -1.94 107.32 106.61 1tka s GLY 440 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1tka s GLY 440 CO -0.02 -1.39 0.00 -0.37 0.00 0.00 0.00 173.10 171.32 1tka n THR 441 N -0.55 0.00 -3.07 0.90 5.66 -0.55 -2.22 114.28 114.45 1tka n THR 441 Ca -0.08 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.52 1tka n THR 441 Cb 0.56 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.28 1tka n THR 441 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 1tka s PHE 442 N -7.53 3.81 0.36 1.09 0.08 -1.26 -1.72 117.98 112.80 1tka s PHE 442 Ca 0.00 1.45 0.17 0.00 0.12 0.00 0.00 56.93 58.67 1tka s PHE 442 Cb 0.00 -2.71 1.13 0.00 -0.57 0.00 0.00 43.02 40.88 1tka s PHE 442 CO 0.00 0.44 1.67 1.25 -0.10 0.00 0.00 175.22 178.48 1tka h LEU 443 N 4.95 0.48 -1.75 -0.37 5.85 -1.15 0.78 115.31 124.09 1tka h LEU 443 Ca -0.46 0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1tka h LEU 443 Cb 1.21 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 1tka h LEU 443 CO 0.67 -0.10 -0.07 -1.13 -0.34 0.00 0.00 178.44 177.47 1tka h ASN 444 N 0.31 0.06 -0.33 1.25 -1.24 -1.83 -2.07 115.58 111.73 1tka h ASN 444 Ca 0.73 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.73 1tka h ASN 444 Cb 1.76 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.80 1tka h ASN 444 CO -0.53 0.14 0.00 0.49 -1.29 0.00 0.00 177.43 176.24 1tka n PHE 445 N -4.42 0.42 0.18 0.67 3.72 0.26 -3.24 117.46 115.05 1tka n PHE 445 Ca -0.02 -0.21 0.02 0.00 -0.05 0.00 0.00 57.45 57.19 1tka n PHE 445 Cb 0.17 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 39.05 1tka n PHE 445 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1tka h VAL 446 N 4.29 1.28 -0.21 -4.37 2.07 -1.32 -1.97 116.25 116.03 1tka h VAL 446 Ca 0.00 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.19 1tka h VAL 446 Cb 0.94 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1tka h VAL 446 CO 0.00 0.39 0.19 0.28 0.02 0.00 0.00 177.57 178.46 1tka h SER 447 N 0.00 0.00 0.70 0.57 0.02 -1.69 0.29 113.55 113.44 1tka h SER 447 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1tka h SER 447 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1tka h SER 447 CO 0.05 0.00 0.00 1.88 -1.14 0.00 0.00 176.83 177.62 1tka h TYR 448 N 0.00 0.00 -0.43 3.45 -1.99 -1.56 -3.08 116.97 113.36 1tka h TYR 448 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 1tka h TYR 448 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 1tka h TYR 448 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.16 1tka n ALA 449 N -1.95 2.25 -0.20 3.88 0.00 0.10 -4.12 120.51 120.47 1tka n ALA 449 Ca 0.00 -1.15 0.30 0.00 0.00 0.00 0.00 53.44 52.60 1tka n ALA 449 Cb 0.22 -0.57 0.72 0.00 0.00 0.00 0.00 19.45 19.83 1tka n ALA 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tka h ALA 450 N 2.67 2.86 0.59 0.00 0.00 -1.42 0.40 119.26 124.36 1tka h ALA 450 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1tka h ALA 450 Cb 0.79 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1tka h ALA 450 CO 0.00 -1.25 -0.28 0.78 0.00 0.00 0.00 179.25 178.50 1tka h GLY 451 N 0.00 -0.83 1.02 0.00 0.00 -1.86 -2.01 103.07 99.38 1tka h GLY 451 Ca 0.46 0.31 -0.07 0.00 0.00 0.00 0.00 47.33 48.02 1tka h GLY 451 CO -0.00 -0.30 0.06 0.00 0.00 0.00 0.00 176.54 176.30 1tka h ALA 452 N -0.55 0.73 -0.89 3.60 0.00 -0.56 -2.85 119.26 118.75 1tka h ALA 452 Ca -0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1tka h ALA 452 Cb 0.65 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1tka h ALA 452 CO 0.13 0.50 0.47 0.28 0.00 0.00 0.00 179.25 180.63 1tka h VAL 453 N 0.81 1.26 -0.55 0.00 2.07 -1.18 -1.36 116.25 117.31 1tka h VAL 453 Ca 0.16 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1tka h VAL 453 Cb 0.45 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1tka h VAL 453 CO 0.02 0.30 0.31 -0.09 0.02 0.00 0.00 177.57 178.12 1tka h ARG 454 N 1.25 0.74 0.00 1.57 2.43 -1.12 -1.64 114.38 117.61 1tka h ARG 454 Ca 0.31 -0.07 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 1tka h ARG 454 Cb 0.05 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1tka h ARG 454 CO -0.05 0.54 -0.35 -0.07 -1.51 0.00 0.00 179.97 178.53 1tka h LEU 455 N 0.75 0.00 -0.86 3.80 3.38 -1.20 0.11 115.31 121.29 1tka h LEU 455 Ca 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1tka h LEU 455 Cb -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1tka h LEU 455 CO -0.03 0.35 0.51 0.28 0.09 0.00 0.00 178.44 179.64 1tka h SER 456 N 0.00 1.04 -0.01 -0.43 0.02 -0.59 -1.27 113.55 112.31 1tka h SER 456 Ca -0.00 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1tka h SER 456 Cb 0.98 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1tka h SER 456 CO 0.05 0.80 -0.01 0.00 -1.14 0.00 0.00 176.83 176.52 1tka h ALA 457 N 1.28 0.01 -0.80 3.77 0.00 -1.30 0.40 119.26 122.62 1tka h ALA 457 Ca 0.31 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1tka h ALA 457 Cb -0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1tka h ALA 457 CO -0.06 -0.19 0.47 1.25 0.00 0.00 0.00 179.25 180.73 1tka h LEU 458 N -0.57 0.97 0.11 0.00 6.46 -0.69 -2.87 115.31 118.71 1tka h LEU 458 Ca -0.00 -0.07 -0.28 0.00 -0.12 0.00 0.00 57.88 57.41 1tka h LEU 458 Cb 0.61 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1tka h LEU 458 CO 0.00 0.75 -1.36 0.28 -0.62 0.00 0.00 178.44 177.50 1tka h SER 459 N 1.10 0.36 -0.82 1.25 0.02 -1.35 -3.49 113.55 110.61 1tka h SER 459 Ca 0.28 -0.43 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1tka h SER 459 Cb -0.03 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1tka h SER 459 CO -0.05 1.35 0.00 0.61 -1.14 0.00 0.00 176.83 177.60 1tka n GLY 460 N 1.57 0.66 3.51 -3.77 0.00 0.38 -4.88 105.19 102.65 1tka n GLY 460 Ca -0.11 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 1tka n GLY 460 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tka s HIS 461 N -2.19 3.20 -0.34 1.61 3.76 0.11 -4.57 115.29 116.88 1tka s HIS 461 Ca 0.00 -0.26 -0.04 0.00 -0.15 0.00 0.00 55.06 54.61 1tka s HIS 461 Cb 0.00 -2.74 -0.09 0.00 1.11 0.00 0.00 32.58 30.86 1tka s HIS 461 CO 0.00 -0.56 1.96 -0.35 -0.85 0.00 0.00 174.74 174.93 1tka n PRO 462 N 5.42 1.30 -1.99 8.40 -0.04 -1.26 -3.41 135.00 143.42 1tka n PRO 462 Ca -0.09 -0.84 -0.32 0.00 -0.04 0.00 0.00 63.50 62.22 1tka n PRO 462 Cb 0.48 -2.02 0.01 0.00 -0.04 0.00 0.00 33.50 31.93 1tka n PRO 462 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1tka s VAL 463 N 2.77 4.32 -0.09 0.52 -7.23 -1.26 -4.75 120.40 114.68 1tka s VAL 463 Ca 0.32 0.92 0.03 0.00 -1.81 0.00 0.00 61.98 61.45 1tka s VAL 463 Cb 0.12 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.44 1tka s VAL 463 CO -0.01 -0.82 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.13 1tka s ILE 464 N -2.84 1.73 -0.16 -0.62 1.01 -1.03 -0.83 121.20 118.47 1tka s ILE 464 Ca 0.59 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1tka s ILE 464 Cb -0.12 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1tka s ILE 464 CO 0.44 0.49 0.03 0.26 0.00 0.00 0.00 174.94 176.16 1tka s TRP 465 N 0.47 3.18 -0.44 3.97 0.52 -0.00 -2.32 118.94 124.31 1tka s TRP 465 Ca -0.17 -0.00 -0.07 0.00 0.02 0.00 0.00 56.10 55.88 1tka s TRP 465 Cb -0.17 -2.00 0.11 0.00 -1.15 0.00 0.00 33.47 30.26 1tka s TRP 465 CO 0.07 0.17 0.29 0.08 0.02 0.00 0.00 176.95 177.57 1tka s VAL 466 N 0.14 3.88 -0.58 4.03 1.01 -0.82 -0.42 120.40 127.64 1tka s VAL 466 Ca 0.03 -1.85 -0.03 0.00 0.00 0.00 0.00 61.98 60.13 1tka s VAL 466 Cb -0.13 -3.57 0.15 0.00 0.00 0.00 0.00 36.38 32.83 1tka s VAL 466 CO 0.01 -0.72 0.39 0.00 0.00 0.00 0.00 175.10 174.78 1tka s ALA 467 N 1.29 3.49 0.91 5.51 0.00 0.25 -1.48 121.76 131.72 1tka s ALA 467 Ca 0.06 -3.10 -0.14 0.00 0.00 0.00 0.00 51.96 48.79 1tka s ALA 467 Cb -0.25 -2.61 0.15 0.00 0.00 0.00 0.00 23.12 20.41 1tka s ALA 467 CO -0.02 -2.03 1.24 0.95 0.00 0.00 0.00 175.76 175.89 1tka s THR 468 N 0.21 1.98 -0.92 0.00 -4.23 -0.70 -1.46 115.64 110.51 1tka s THR 468 Ca 0.15 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1tka s THR 468 Cb -0.21 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 1tka s THR 468 CO -0.03 0.00 0.79 1.41 -0.54 0.00 0.00 174.62 176.25 1tka n HIS 469 N -3.63 -1.95 1.43 3.99 8.25 -0.82 -0.78 115.22 121.71 1tka n HIS 469 Ca 0.11 0.74 0.02 0.00 -0.26 0.00 0.00 57.72 58.34 1tka n HIS 469 Cb 0.60 -4.15 0.14 0.00 1.12 0.00 0.00 29.99 27.69 1tka n HIS 469 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1tka n ASP 470 N -2.86 0.00 -2.18 0.41 5.75 -1.18 -4.41 116.55 112.09 1tka n ASP 470 Ca -0.14 -1.29 0.01 0.00 -0.01 0.00 0.00 54.79 53.37 1tka n ASP 470 Cb 0.62 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.71 1tka n ASP 470 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1tka n SER 471 N -0.60 -0.56 0.33 -1.12 3.41 -1.26 -4.66 113.62 109.16 1tka n SER 471 Ca 0.03 -1.16 0.12 0.00 -0.26 0.00 0.00 58.87 57.60 1tka n SER 471 Cb 0.02 0.89 0.65 0.00 -0.26 0.00 0.00 64.21 65.51 1tka n SER 471 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1tka h ILE 472 N 1.43 0.00 0.00 -1.33 3.07 -1.84 -1.12 117.51 117.72 1tka h ILE 472 Ca -0.10 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.31 1tka h ILE 472 Cb 0.51 0.53 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 1tka h ILE 472 CO 0.14 0.00 0.10 1.23 -1.05 0.00 0.00 178.15 178.57 1tka h GLY 473 N 0.00 0.00 0.88 0.16 0.00 -1.93 0.11 103.07 102.29 1tka h GLY 473 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1tka h GLY 473 CO 0.00 0.00 0.41 -2.08 0.00 0.00 0.00 176.54 174.87 1tka h VAL 474 N 0.00 1.09 0.00 4.60 2.07 -1.53 -3.42 116.25 119.06 1tka h VAL 474 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1tka h VAL 474 Cb 0.20 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1tka h VAL 474 CO 0.00 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.35 1tka n GLY 475 N -1.28 1.45 0.24 2.17 0.00 0.38 -4.45 105.19 103.70 1tka n GLY 475 Ca 0.07 -0.50 0.14 0.00 0.00 0.00 0.00 46.02 45.73 1tka n GLY 475 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tka h GLU 476 N 0.00 0.00 0.00 1.61 5.08 -1.77 -1.93 114.58 117.57 1tka h GLU 476 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1tka h GLU 476 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1tka h GLU 476 CO 0.00 0.05 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.47 1tka h ASP 477 N 0.00 0.00 0.00 1.42 3.32 -1.91 -3.43 116.42 115.82 1tka h ASP 477 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tka h ASP 477 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1tka h ASP 477 CO 0.01 0.15 0.00 0.61 -1.72 0.00 0.00 179.24 178.29 1tka n GLY 478 N -0.79 0.86 0.25 2.75 0.00 -0.73 -4.48 105.19 103.06 1tka n GLY 478 Ca -0.02 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 1tka n GLY 478 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tka h PRO 479 N 0.00 0.55 0.00 1.61 0.11 -1.85 -0.90 132.00 131.51 1tka h PRO 479 Ca 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1tka h PRO 479 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1tka h PRO 479 CO 0.00 0.74 0.00 1.79 -0.21 0.00 0.00 178.00 180.32 1tka h THR 480 N 0.49 0.00 -0.00 -1.15 1.35 -1.99 -3.10 112.91 108.51 1tka h THR 480 Ca 0.07 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1tka h THR 480 Cb 0.65 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.18 1tka h THR 480 CO 0.05 0.00 -0.08 1.41 -0.25 0.00 0.00 175.52 176.65 1tka n HIS 481 N -2.74 0.00 -3.50 4.73 8.25 -0.40 -5.01 115.22 116.55 1tka n HIS 481 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1tka n HIS 481 Cb 0.19 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 1tka n HIS 481 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1tka s GLN 482 N -0.93 4.26 0.26 -0.41 -0.21 -0.87 -4.64 119.66 117.12 1tka s GLN 482 Ca 0.01 0.15 -0.21 0.00 0.02 0.00 0.00 55.36 55.34 1tka s GLN 482 Cb 0.02 -3.42 -0.09 0.00 1.00 0.00 0.00 33.01 30.52 1tka s GLN 482 CO 0.08 0.23 0.79 -2.14 -2.12 0.00 0.00 175.29 172.13 1tka s PRO 483 N 0.47 4.31 0.07 2.91 0.02 -1.26 -4.90 135.00 136.61 1tka s PRO 483 Ca 0.18 0.97 -0.00 0.00 0.02 0.00 0.00 61.00 62.17 1tka s PRO 483 Cb -0.13 -2.79 -0.00 0.00 0.02 0.00 0.00 34.50 31.59 1tka s PRO 483 CO 0.05 0.33 -0.00 -0.89 -0.33 0.00 0.00 177.00 176.16 1tka n ILE 484 N 0.53 0.91 0.09 2.83 2.08 -1.26 -4.61 119.36 119.93 1tka n ILE 484 Ca -0.00 0.30 -0.06 0.00 0.56 0.00 0.00 62.75 63.54 1tka n ILE 484 Cb 0.51 -1.57 -0.02 0.00 -0.75 0.00 0.00 39.64 37.82 1tka n ILE 484 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1tka h GLU 485 N -0.00 0.06 -0.71 0.38 9.09 -1.93 -1.67 114.58 119.80 1tka h GLU 485 Ca -0.00 -0.07 0.13 0.00 0.05 0.00 0.00 59.36 59.47 1tka h GLU 485 Cb 0.27 0.02 -0.13 0.00 -1.65 0.00 0.00 28.75 27.26 1tka h GLU 485 CO -0.00 0.89 -0.30 1.15 0.05 0.00 0.00 179.01 180.80 1tka h THR 486 N 0.03 0.16 -0.29 -1.06 2.02 -1.96 -1.03 112.91 110.78 1tka h THR 486 Ca -0.02 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 1tka h THR 486 Cb 1.53 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1tka h THR 486 CO 0.12 0.00 -0.39 -0.07 0.37 0.00 0.00 175.52 175.55 1tka h LEU 487 N -0.09 0.73 -0.51 2.58 3.38 -1.98 -1.99 115.31 117.43 1tka h LEU 487 Ca 0.29 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1tka h LEU 487 Cb 0.56 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 1tka h LEU 487 CO -0.76 1.04 0.20 0.00 0.09 0.00 0.00 178.44 179.00 1tka h ALA 488 N 1.00 0.64 0.34 1.53 0.00 -1.51 0.45 119.26 121.71 1tka h ALA 488 Ca 0.05 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1tka h ALA 488 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1tka h ALA 488 CO 0.08 -0.19 -0.16 1.25 0.00 0.00 0.00 179.25 180.23 1tka h HIS 489 N 0.39 -0.42 0.00 0.00 -0.00 -1.17 -2.36 115.15 111.59 1tka h HIS 489 Ca 0.24 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1tka h HIS 489 Cb 0.25 0.14 -0.00 0.00 -0.00 0.00 0.00 27.41 27.79 1tka h HIS 489 CO -0.15 -0.25 -0.02 0.74 -0.00 0.00 0.00 177.93 178.25 1tka h PHE 490 N -0.47 0.00 0.00 5.26 0.04 -0.69 -1.33 116.94 119.76 1tka h PHE 490 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1tka h PHE 490 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 1tka h PHE 490 CO -0.05 0.02 0.00 0.54 -0.60 0.00 0.00 178.31 178.22 1tka n ARG 491 N -3.12 0.09 0.03 1.51 1.74 0.15 -2.65 116.66 114.42 1tka n ARG 491 Ca 0.01 0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.30 1tka n ARG 491 Cb 0.37 -1.61 0.32 0.00 -1.02 0.00 0.00 32.46 30.52 1tka n ARG 491 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1tka n SER 492 N -1.77 0.50 -4.64 0.55 7.64 -0.51 -4.89 113.62 110.50 1tka n SER 492 Ca 0.06 0.12 -0.39 0.00 1.01 0.00 0.00 58.87 59.67 1tka n SER 492 Cb 0.37 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.45 1tka n SER 492 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1tka s LEU 493 N -3.58 4.10 0.53 -3.43 2.96 -1.08 -5.07 118.68 113.12 1tka s LEU 493 Ca 0.10 0.55 -0.22 0.00 -0.22 0.00 0.00 54.13 54.33 1tka s LEU 493 Cb 0.16 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.17 1tka s LEU 493 CO 0.66 -0.20 1.35 -2.65 -1.32 0.00 0.00 176.35 174.19 1tka n PRO 494 N 5.06 1.74 -3.52 0.98 -0.02 -1.26 -3.98 135.00 134.00 1tka n PRO 494 Ca -0.06 0.64 -0.22 0.00 -2.02 0.00 0.00 63.50 61.84 1tka n PRO 494 Cb 0.50 -2.56 0.07 0.00 -0.02 0.00 0.00 33.50 31.50 1tka n PRO 494 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1tka n ASN 495 N -0.84 -6.07 -3.75 2.55 5.15 -1.26 -4.74 115.26 106.30 1tka n ASN 495 Ca 0.10 -0.50 -0.14 0.00 -0.60 0.00 0.00 54.58 53.44 1tka n ASN 495 Cb 0.44 -4.69 -0.15 0.00 -0.53 0.00 0.00 39.78 34.85 1tka n ASN 495 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1tka s ILE 496 N -3.30 -0.06 -0.00 -1.44 2.07 -1.26 -3.94 121.20 113.27 1tka s ILE 496 Ca 0.54 0.21 -0.26 0.00 -1.41 0.00 0.00 60.65 59.73 1tka s ILE 496 Cb -0.24 -0.18 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 1tka s ILE 496 CO 0.67 0.08 0.83 -1.10 -1.91 0.00 0.00 174.94 173.52 1tka s GLN 497 N 1.20 4.52 -0.73 3.50 -0.21 -0.40 -4.86 119.66 122.68 1tka s GLN 497 Ca -0.08 1.15 0.04 0.00 0.02 0.00 0.00 55.36 56.49 1tka s GLN 497 Cb -0.12 -3.42 0.18 0.00 1.00 0.00 0.00 33.01 30.64 1tka s GLN 497 CO -0.05 0.10 0.53 0.08 -2.12 0.00 0.00 175.29 173.83 1tka s VAL 498 N 0.58 3.10 0.30 1.09 1.01 -1.26 -1.23 120.40 123.99 1tka s VAL 498 Ca 0.43 -4.22 -0.29 0.00 0.00 0.00 0.00 61.98 57.90 1tka s VAL 498 Cb -0.20 -3.02 -0.10 0.00 0.00 0.00 0.00 36.38 33.07 1tka s VAL 498 CO 0.24 -1.01 1.22 0.26 0.00 0.00 0.00 175.10 175.80 1tka s TRP 499 N -1.44 3.29 -0.39 5.22 0.52 0.87 -4.61 118.94 122.40 1tka s TRP 499 Ca 0.25 1.53 0.03 0.00 0.02 0.00 0.00 56.10 57.93 1tka s TRP 499 Cb -0.05 -3.50 0.16 0.00 -1.15 0.00 0.00 33.47 28.92 1tka s TRP 499 CO -0.16 -1.28 0.31 0.50 0.02 0.00 0.00 176.95 176.33 1tka s ARG 500 N -1.57 0.76 0.43 4.98 3.52 -0.25 -1.17 118.95 125.65 1tka s ARG 500 Ca 0.47 -1.71 -0.25 0.00 -0.13 0.00 0.00 55.73 54.11 1tka s ARG 500 Cb -0.36 -1.29 -0.08 0.00 -1.56 0.00 0.00 34.95 31.66 1tka s ARG 500 CO 0.47 -1.31 1.31 -1.25 -0.81 0.00 0.00 175.30 173.71 1tka s PRO 501 N 0.54 3.82 0.20 5.12 0.04 -1.26 -2.07 135.00 141.39 1tka s PRO 501 Ca 0.26 2.17 0.23 0.00 0.04 0.00 0.00 61.00 63.70 1tka s PRO 501 Cb -0.07 -2.66 0.07 0.00 0.04 0.00 0.00 34.50 31.88 1tka s PRO 501 CO -0.11 -0.62 1.12 0.00 0.04 0.00 0.00 177.00 177.43 1tka h ALA 502 N 2.44 0.54 -1.55 8.56 0.00 -1.89 -3.39 119.26 123.97 1tka h ALA 502 Ca -0.50 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.49 1tka h ALA 502 Cb 1.25 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1tka h ALA 502 CO 0.62 0.00 0.21 -0.40 0.00 0.00 0.00 179.25 179.68 1tka n ASP 503 N -2.61 -0.36 -0.16 0.00 5.75 -1.26 -4.80 116.55 113.10 1tka n ASP 503 Ca 0.01 -1.12 -0.06 0.00 -0.01 0.00 0.00 54.79 53.60 1tka n ASP 503 Cb 0.53 0.57 -0.05 0.00 -1.03 0.00 0.00 41.12 41.14 1tka n ASP 503 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1tka h GLY 504 N 0.52 -1.66 1.25 6.12 0.00 -1.94 0.33 103.07 107.71 1tka h GLY 504 Ca -0.06 0.91 0.04 0.00 0.00 0.00 0.00 47.33 48.21 1tka h GLY 504 CO 0.09 -0.46 0.42 3.43 0.00 0.00 0.00 176.54 180.01 1tka h ASN 505 N -0.08 0.63 0.67 0.19 2.35 -1.89 -1.74 115.58 115.71 1tka h ASN 505 Ca 0.07 -0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.64 1tka h ASN 505 Cb 0.25 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1tka h ASN 505 CO -0.42 0.43 -0.79 -0.08 -1.65 0.00 0.00 177.43 174.92 1tka h GLU 506 N 0.73 0.09 -0.23 0.81 4.81 -1.53 -1.84 114.58 117.42 1tka h GLU 506 Ca 0.25 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1tka h GLU 506 Cb 0.10 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1tka h GLU 506 CO -0.07 0.83 -0.10 0.28 -0.73 0.00 0.00 179.01 179.22 1tka h VAL 507 N 0.05 1.30 -0.81 0.32 2.07 0.15 -2.21 116.25 117.13 1tka h VAL 507 Ca -0.02 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1tka h VAL 507 Cb 1.39 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.71 1tka h VAL 507 CO 0.11 0.36 0.35 0.28 0.02 0.00 0.00 177.57 178.69 1tka h SER 508 N 0.19 1.09 -0.95 0.57 0.02 -1.33 0.08 113.55 113.22 1tka h SER 508 Ca 0.05 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 1tka h SER 508 Cb 0.59 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 1tka h SER 508 CO 0.03 0.94 0.63 0.00 -1.14 0.00 0.00 176.83 177.29 1tka h ALA 509 N 1.19 1.33 0.33 3.77 0.00 -1.29 -0.93 119.26 123.65 1tka h ALA 509 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1tka h ALA 509 Cb 0.17 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1tka h ALA 509 CO -0.03 0.62 -0.16 0.00 0.00 0.00 0.00 179.25 179.69 1tka h ALA 510 N 1.41 -0.44 -0.67 0.00 0.00 -0.66 -1.98 119.26 116.92 1tka h ALA 510 Ca 0.35 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1tka h ALA 510 Cb -0.14 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1tka h ALA 510 CO -0.08 -0.67 0.22 1.88 0.00 0.00 0.00 179.25 180.60 1tka h TYR 511 N -0.58 1.05 0.32 0.00 0.05 -0.84 0.05 116.97 117.02 1tka h TYR 511 Ca -0.04 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.63 1tka h TYR 511 Cb 0.43 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1tka h TYR 511 CO -0.02 0.83 -0.15 1.57 -1.05 0.00 0.00 178.16 179.34 1tka h LYS 512 N 0.99 -0.42 -1.00 4.88 2.10 -1.16 0.04 116.57 122.00 1tka h LYS 512 Ca 0.22 0.03 0.18 0.00 -2.00 0.00 0.00 60.65 59.08 1tka h LYS 512 Cb 0.27 0.09 -0.10 0.00 -0.90 0.00 0.00 32.23 31.59 1tka h LYS 512 CO -0.01 -0.09 0.61 -0.91 -2.00 0.00 0.00 179.45 177.04 1tka h ASN 513 N -0.79 0.80 -0.50 7.07 4.21 -1.35 0.14 115.58 125.16 1tka h ASN 513 Ca -0.04 0.09 -0.08 0.00 1.21 0.00 0.00 56.30 57.47 1tka h ASN 513 Cb 0.51 -0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.64 1tka h ASN 513 CO 0.07 0.31 -0.01 0.28 -1.29 0.00 0.00 177.43 176.79 1tka h SER 514 N 0.80 0.88 1.25 5.81 0.02 -0.91 -2.73 113.55 118.67 1tka h SER 514 Ca 0.56 -0.31 -0.16 0.00 -0.84 0.00 0.00 61.79 61.04 1tka h SER 514 Cb 0.82 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1tka h SER 514 CO -0.36 0.98 -0.74 -0.07 -1.14 0.00 0.00 176.83 175.50 1tka h LEU 515 N 0.76 0.00 -0.51 5.07 3.38 -0.05 -3.15 115.31 120.81 1tka h LEU 515 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1tka h LEU 515 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1tka h LEU 515 CO 0.03 0.74 0.00 -0.33 0.09 0.00 0.00 178.44 178.97 1tka h GLU 516 N 0.00 0.00 -6.62 1.13 5.08 -0.74 -3.45 114.58 109.97 1tka h GLU 516 Ca -0.01 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.83 1tka h GLU 516 Cb 1.57 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.86 1tka h GLU 516 CO 0.10 0.00 0.88 0.45 -1.00 0.00 0.00 179.01 179.43 1tka s SER 517 N -4.90 6.58 -0.05 1.42 0.15 -1.03 -4.93 113.70 110.93 1tka s SER 517 Ca 0.06 2.64 0.19 0.00 0.70 0.00 0.00 55.95 59.54 1tka s SER 517 Cb 0.10 -2.60 -0.29 0.00 -1.71 0.00 0.00 66.02 61.52 1tka s SER 517 CO 0.53 -0.82 0.38 0.29 1.20 0.00 0.00 173.24 174.81 1tka n LYS 518 N 3.80 0.65 0.00 5.44 5.02 -1.26 -4.83 118.16 126.98 1tka n LYS 518 Ca 0.13 -0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1tka n LYS 518 Cb 0.38 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1tka n LYS 518 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1tka n HIS 519 N -2.24 0.00 -4.59 2.13 8.25 -1.26 -4.59 115.22 112.91 1tka n HIS 519 Ca -0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.06 1tka n HIS 519 Cb 0.59 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.54 1tka n HIS 519 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1tka s THR 520 N -0.50 2.62 1.12 1.59 2.01 -1.26 -4.14 115.64 117.08 1tka s THR 520 Ca 0.00 -0.79 -0.13 0.00 0.31 0.00 0.00 61.69 61.08 1tka s THR 520 Cb 0.00 -2.10 0.26 0.00 0.01 0.00 0.00 72.50 70.67 1tka s THR 520 CO 0.00 0.52 1.05 -2.16 -0.69 0.00 0.00 174.62 173.34 1tka s PRO 521 N 0.75 -0.56 0.05 4.92 0.04 -1.22 -4.34 135.00 134.65 1tka s PRO 521 Ca -0.07 0.68 -0.00 0.00 0.04 0.00 0.00 61.00 61.65 1tka s PRO 521 Cb -0.15 -1.61 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 1tka s PRO 521 CO 0.01 -3.44 -0.04 0.45 0.04 0.00 0.00 177.00 174.02 1tka s SER 522 N -2.87 0.56 -0.07 6.66 0.15 -0.01 -1.27 113.70 116.85 1tka s SER 522 Ca 0.67 -0.89 0.02 0.00 0.70 0.00 0.00 55.95 56.46 1tka s SER 522 Cb -0.23 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.26 1tka s SER 522 CO 0.62 -0.50 -0.12 -0.63 1.20 0.00 0.00 173.24 173.81 1tka s ILE 523 N -3.29 1.13 -0.28 6.45 1.01 -0.36 -0.82 121.20 125.04 1tka s ILE 523 Ca 0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 1tka s ILE 523 Cb 0.03 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.47 1tka s ILE 523 CO -0.07 0.36 0.00 -0.63 0.00 0.00 0.00 174.94 174.60 1tka s ILE 524 N 0.85 3.32 -0.27 2.92 1.01 0.44 -0.09 121.20 129.38 1tka s ILE 524 Ca -0.11 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.36 1tka s ILE 524 Cb -0.15 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 1tka s ILE 524 CO 0.01 0.10 0.76 0.00 0.00 0.00 0.00 174.94 175.82 1tka s ALA 525 N 1.38 3.59 0.09 9.38 0.00 -0.32 -0.58 121.76 135.30 1tka s ALA 525 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1tka s ALA 525 Cb -0.17 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1tka s ALA 525 CO -0.01 -1.01 -0.24 -0.51 0.00 0.00 0.00 175.76 173.99 1tka s LEU 526 N 2.80 2.26 0.34 0.00 1.43 -0.54 -4.12 118.68 120.85 1tka s LEU 526 Ca 0.32 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 1tka s LEU 526 Cb -0.15 -1.08 -0.08 0.00 0.03 0.00 0.00 46.19 44.91 1tka s LEU 526 CO 0.10 0.15 0.75 -0.94 0.23 0.00 0.00 176.35 176.63 1tka s SER 527 N -1.69 6.72 -0.11 2.29 1.04 -1.26 -1.95 113.70 118.74 1tka s SER 527 Ca 0.10 1.25 -0.28 0.00 0.48 0.00 0.00 55.95 57.50 1tka s SER 527 Cb -0.10 -2.36 -0.25 0.00 0.10 0.00 0.00 66.02 63.41 1tka s SER 527 CO 0.04 -0.25 0.87 -0.09 0.98 0.00 0.00 173.24 174.79 1tka h ARG 528 N 2.04 -0.00 -7.18 4.02 2.43 -1.94 -2.79 114.38 110.95 1tka h ARG 528 Ca -0.48 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.21 1tka h ARG 528 Cb 1.18 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1tka h ARG 528 CO 0.65 0.88 0.38 1.14 -1.51 0.00 0.00 179.97 181.50 1tka s GLN 529 N -2.65 3.69 0.43 0.20 0.00 -1.26 -4.68 119.66 115.38 1tka s GLN 529 Ca -0.18 1.10 -0.26 0.00 -0.00 0.00 0.00 55.36 56.01 1tka s GLN 529 Cb -0.02 -2.09 -0.09 0.00 0.00 0.00 0.00 33.01 30.81 1tka s GLN 529 CO 0.68 -0.49 1.42 -0.80 0.00 0.00 0.00 175.29 176.10 1tka s ASN 530 N -2.83 6.06 -0.04 12.60 0.01 -1.26 -4.00 114.94 125.47 1tka s ASN 530 Ca 0.62 2.91 -0.03 0.00 -0.71 0.00 0.00 52.86 55.65 1tka s ASN 530 Cb -0.13 -2.65 0.02 0.00 0.41 0.00 0.00 41.25 38.90 1tka s ASN 530 CO 0.32 -1.05 0.11 -0.76 -1.51 0.00 0.00 177.10 174.20 1tka s LEU 531 N -2.52 1.28 0.37 0.60 1.43 -0.36 -4.79 118.68 114.69 1tka s LEU 531 Ca 0.58 0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 53.62 1tka s LEU 531 Cb -0.43 0.30 -0.11 0.00 0.03 0.00 0.00 46.19 45.98 1tka s LEU 531 CO 0.57 -0.08 1.50 -0.81 0.23 0.00 0.00 176.35 177.76 1tka n PRO 532 N 3.52 2.69 -2.24 1.29 -0.04 -1.26 -1.38 135.00 137.58 1tka n PRO 532 Ca -0.18 0.95 -0.40 0.00 -0.04 0.00 0.00 63.50 63.82 1tka n PRO 532 Cb 0.56 -2.68 -0.03 0.00 -0.04 0.00 0.00 33.50 31.31 1tka n PRO 532 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1tka s GLN 533 N -2.02 4.43 -0.17 0.54 -1.52 -1.26 -4.84 119.66 114.83 1tka s GLN 533 Ca 0.54 2.07 -0.10 0.00 -1.95 0.00 0.00 55.36 55.92 1tka s GLN 533 Cb -0.47 -3.09 -0.05 0.00 -0.22 0.00 0.00 33.01 29.18 1tka s GLN 533 CO 0.63 -0.06 0.16 -0.51 -0.25 0.00 0.00 175.29 175.26 1tka s LEU 534 N -1.71 4.28 -0.44 2.90 1.43 -1.26 -4.63 118.68 119.25 1tka s LEU 534 Ca 0.48 0.35 -0.26 0.00 -1.03 0.00 0.00 54.13 53.67 1tka s LEU 534 Cb -0.37 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.75 1tka s LEU 534 CO 0.48 0.25 0.95 -0.70 0.23 0.00 0.00 176.35 177.56 1tka s GLU 535 N -0.09 3.65 0.00 1.70 2.56 -1.26 -2.91 118.70 122.34 1tka s GLU 535 Ca 0.11 0.33 0.00 0.00 0.00 0.00 0.00 54.97 55.42 1tka s GLU 535 Cb -0.12 -3.89 0.00 0.00 2.00 0.00 0.00 34.13 32.12 1tka s GLU 535 CO 0.01 -1.17 0.00 0.41 -0.56 0.00 0.00 175.26 173.95 1tka n GLY 536 N 4.76 1.28 3.77 -1.50 0.00 -1.26 -4.87 105.19 107.38 1tka n GLY 536 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1tka n GLY 536 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tka s SER 537 N -0.45 5.82 -0.12 1.61 1.04 -1.15 -4.92 113.70 115.53 1tka s SER 537 Ca 0.00 2.20 -0.26 0.00 0.48 0.00 0.00 55.95 58.37 1tka s SER 537 Cb 0.00 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.60 1tka s SER 537 CO 0.00 -1.15 0.62 -0.94 0.98 0.00 0.00 173.24 172.75 1tka s SER 538 N -1.69 -0.61 0.20 7.02 1.04 -1.26 -4.97 113.70 113.43 1tka s SER 538 Ca 0.71 0.86 -0.11 0.00 0.48 0.00 0.00 55.95 57.89 1tka s SER 538 Cb -0.25 0.80 0.18 0.00 0.10 0.00 0.00 66.02 66.86 1tka s SER 538 CO 0.28 -0.45 1.81 0.40 0.98 0.00 0.00 173.24 176.27 1tka h ILE 539 N 3.52 1.01 -0.23 -1.02 2.04 -1.96 -1.47 117.51 119.39 1tka h ILE 539 Ca -0.28 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1tka h ILE 539 Cb 1.15 0.28 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 1tka h ILE 539 CO 0.28 0.12 -0.41 -0.33 0.00 0.00 0.00 178.15 177.82 1tka h GLU 540 N 0.67 -0.40 -0.30 2.37 3.07 -1.97 -0.68 114.58 117.35 1tka h GLU 540 Ca 0.26 0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.14 1tka h GLU 540 Cb 0.11 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1tka h GLU 540 CO -0.15 -0.27 0.12 0.77 -1.40 0.00 0.00 179.01 178.08 1tka h SER 541 N -0.42 0.41 0.32 1.42 0.02 -1.89 -3.05 113.55 110.36 1tka h SER 541 Ca 0.10 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.83 1tka h SER 541 Cb 0.60 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1tka h SER 541 CO -0.46 0.46 -0.25 0.00 -1.14 0.00 0.00 176.83 175.44 1tka h ALA 542 N 0.96 1.46 0.00 3.77 0.00 -1.04 -0.70 119.26 123.71 1tka h ALA 542 Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tka h ALA 542 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tka h ALA 542 CO -0.01 0.31 -0.00 0.77 0.00 0.00 0.00 179.25 180.32 1tka h SER 543 N 0.00 0.00 0.49 0.00 0.02 -1.01 0.26 113.55 113.31 1tka h SER 543 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1tka h SER 543 Cb 0.48 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 1tka h SER 543 CO 0.03 0.00 -0.03 0.29 -1.14 0.00 0.00 176.83 175.98 1tka n LYS 544 N -3.22 0.51 0.00 3.45 5.02 -0.27 -4.93 118.16 118.73 1tka n LYS 544 Ca -0.03 -0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1tka n LYS 544 Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1tka n LYS 544 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tka n GLY 545 N 1.27 2.36 3.26 0.72 0.00 0.08 -3.64 105.19 109.24 1tka n GLY 545 Ca 0.15 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 1tka n GLY 545 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1tka s GLY 546 N -0.89 -0.29 0.13 -0.02 0.00 -1.26 -1.48 107.32 103.51 1tka s GLY 546 Ca 0.00 1.20 -0.14 0.00 0.00 0.00 0.00 44.72 45.78 1tka s GLY 546 CO 0.00 1.17 0.36 -2.52 0.00 0.00 0.00 173.10 172.11 1tka s TYR 547 N 0.63 -0.08 -0.19 1.90 1.13 0.02 -4.96 117.35 115.80 1tka s TYR 547 Ca -0.03 -0.27 -0.29 0.00 -1.41 0.00 0.00 57.07 55.06 1tka s TYR 547 Cb -0.05 0.19 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 1tka s TYR 547 CO -0.04 -0.70 1.03 0.08 -2.51 0.00 0.00 175.55 173.42 1tka s VAL 548 N -3.84 4.71 -0.18 -3.49 1.01 -1.26 -1.40 120.40 115.95 1tka s VAL 548 Ca 0.05 2.03 -0.08 0.00 0.00 0.00 0.00 61.98 63.98 1tka s VAL 548 Cb 0.02 -4.31 -0.22 0.00 0.00 0.00 0.00 36.38 31.88 1tka s VAL 548 CO -0.10 -0.12 0.16 -0.11 0.00 0.00 0.00 175.10 174.93 1tka n LEU 549 N 5.89 2.52 -4.12 3.92 7.94 -0.34 -4.89 117.00 127.93 1tka n LEU 549 Ca 0.11 0.18 -0.24 0.00 -1.11 0.00 0.00 56.01 54.95 1tka n LEU 549 Cb 0.47 -1.03 -0.16 0.00 0.53 0.00 0.00 43.42 43.24 1tka n LEU 549 CO 0.52 0.75 -0.49 -1.10 -1.11 0.00 0.00 177.39 175.96 1tka s GLN 550 N -2.51 1.49 0.14 1.96 -0.21 -0.26 -4.69 119.66 115.58 1tka s GLN 550 Ca -0.27 -0.55 0.05 0.00 0.02 0.00 0.00 55.36 54.61 1tka s GLN 550 Cb 0.08 -1.35 -0.04 0.00 1.00 0.00 0.00 33.01 32.69 1tka s GLN 550 CO 0.68 0.26 -0.12 0.34 -2.12 0.00 0.00 175.29 174.33 1tka s ASP 551 N -0.08 1.93 0.05 5.90 -1.08 -1.26 -0.96 116.67 121.16 1tka s ASP 551 Ca -0.00 -0.94 -0.03 0.00 -0.52 0.00 0.00 52.55 51.06 1tka s ASP 551 Cb -0.09 -0.04 -0.03 0.00 -1.46 0.00 0.00 42.92 41.30 1tka s ASP 551 CO 0.01 -0.25 0.03 0.68 0.52 0.00 0.00 175.17 176.15 1tka s VAL 552 N -2.86 0.18 -0.42 1.11 -7.23 -1.26 -4.94 120.40 104.98 1tka s VAL 552 Ca 0.14 -1.48 -0.21 0.00 -1.81 0.00 0.00 61.98 58.62 1tka s VAL 552 Cb -0.00 -1.23 0.02 0.00 0.56 0.00 0.00 36.38 35.73 1tka s VAL 552 CO 0.02 -0.82 0.68 0.00 -0.31 0.00 0.00 175.10 174.68 1tka s ALA 553 N -3.38 3.36 -0.17 1.32 0.00 -1.26 -4.38 121.76 117.27 1tka s ALA 553 Ca 0.02 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.88 1tka s ALA 553 Cb 0.04 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1tka s ALA 553 CO -0.08 -1.69 0.21 0.09 0.00 0.00 0.00 175.76 174.29 1tka n ASN 554 N 6.33 -4.37 -4.77 0.00 3.02 -1.26 -5.02 115.26 109.19 1tka n ASN 554 Ca -0.00 0.26 -0.38 0.00 -0.03 0.00 0.00 54.58 54.42 1tka n ASN 554 Cb 0.48 -2.75 -0.05 0.00 -0.61 0.00 0.00 39.78 36.85 1tka n ASN 554 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1tka s PRO 555 N -1.53 4.50 0.22 3.52 0.04 -1.26 -4.83 135.00 135.67 1tka s PRO 555 Ca 0.09 1.51 0.11 0.00 0.04 0.00 0.00 61.00 62.75 1tka s PRO 555 Cb -0.02 -2.86 0.08 0.00 0.04 0.00 0.00 34.50 31.73 1tka s PRO 555 CO 0.31 0.17 1.44 -0.44 0.04 0.00 0.00 177.00 178.52 1tka h ASP 556 N 3.23 0.00 -5.01 6.66 3.32 0.80 -3.47 116.42 121.94 1tka h ASP 556 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 1tka h ASP 556 Cb 1.20 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.58 1tka h ASP 556 CO 0.65 0.73 0.06 -0.51 -1.72 0.00 0.00 179.24 178.45 1tka s ILE 557 N -3.06 0.02 -0.12 0.35 -1.16 -1.08 -4.52 121.20 111.63 1tka s ILE 557 Ca 0.01 -0.19 -0.02 0.00 -0.51 0.00 0.00 60.65 59.95 1tka s ILE 557 Cb 0.10 -0.95 -0.03 0.00 0.61 0.00 0.00 42.46 42.19 1tka s ILE 557 CO 0.77 -0.10 -0.06 -0.63 -2.81 0.00 0.00 174.94 172.11 1tka s ILE 558 N -2.10 3.71 -0.33 2.00 1.01 -0.34 -2.43 121.20 122.72 1tka s ILE 558 Ca -0.07 -0.44 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1tka s ILE 558 Cb -0.01 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1tka s ILE 558 CO 0.01 0.53 0.11 -0.76 0.00 0.00 0.00 174.94 174.84 1tka s LEU 559 N -0.02 4.26 -0.31 2.97 1.43 -0.21 -0.94 118.68 125.86 1tka s LEU 559 Ca 0.00 -1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 51.99 1tka s LEU 559 Cb -0.13 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1tka s LEU 559 CO 0.03 -0.30 0.13 -0.69 0.23 0.00 0.00 176.35 175.74 1tka s VAL 560 N 1.44 4.32 0.37 -1.59 1.01 -0.02 -1.04 120.40 124.90 1tka s VAL 560 Ca -0.00 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.44 1tka s VAL 560 Cb -0.19 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.89 1tka s VAL 560 CO 0.03 0.04 0.04 0.00 0.00 0.00 0.00 175.10 175.21 1tka s ALA 561 N 1.56 2.81 0.11 5.51 0.00 -0.95 -0.62 121.76 130.18 1tka s ALA 561 Ca 0.03 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1tka s ALA 561 Cb -0.17 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1tka s ALA 561 CO 0.05 -0.22 -0.01 0.95 0.00 0.00 0.00 175.76 176.53 1tka s THR 562 N -3.05 0.37 0.00 0.00 -4.23 -1.24 -2.19 115.64 105.29 1tka s THR 562 Ca 0.33 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1tka s THR 562 Cb 0.08 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.11 1tka s THR 562 CO 0.15 -0.73 0.00 0.61 -0.54 0.00 0.00 174.62 174.12 1tka n GLY 563 N -0.04 2.64 0.14 3.99 0.00 -0.88 -1.70 105.19 109.34 1tka n GLY 563 Ca -0.10 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1tka n GLY 563 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tka n SER 564 N 1.51 0.54 -0.27 1.61 3.41 -1.26 -2.58 113.62 116.58 1tka n SER 564 Ca 0.00 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 1tka n SER 564 Cb 0.00 -0.80 0.36 0.00 -0.26 0.00 0.00 64.21 63.51 1tka n SER 564 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tka n GLU 565 N -2.19 0.88 -0.01 4.33 4.71 -0.69 -3.79 120.64 123.89 1tka n GLU 565 Ca -0.01 -0.54 -0.13 0.00 -0.01 0.00 0.00 57.16 56.48 1tka n GLU 565 Cb 0.07 -1.49 -0.09 0.00 -1.01 0.00 0.00 31.44 28.92 1tka n GLU 565 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1tka h VAL 566 N 1.31 1.32 -0.30 2.62 2.07 -1.55 -0.43 116.25 121.29 1tka h VAL 566 Ca 0.00 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.64 1tka h VAL 566 Cb 0.52 1.94 -0.08 0.00 -1.52 0.00 0.00 31.29 32.15 1tka h VAL 566 CO 0.00 0.25 -0.24 0.77 0.02 0.00 0.00 177.57 178.36 1tka h SER 567 N -0.37 -0.80 -0.62 0.57 4.64 -1.77 -0.91 113.55 114.29 1tka h SER 567 Ca 0.00 0.15 0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1tka h SER 567 Cb 0.41 0.39 -0.08 0.00 -0.31 0.00 0.00 62.40 62.80 1tka h SER 567 CO 0.00 -0.27 0.20 0.25 -0.87 0.00 0.00 176.83 176.14 1tka h LEU 568 N -0.22 0.15 -1.73 5.97 5.85 -1.62 -0.39 115.31 123.32 1tka h LEU 568 Ca 0.16 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 1tka h LEU 568 Cb 0.46 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1tka h LEU 568 CO -0.43 0.09 -0.17 0.28 -0.34 0.00 0.00 178.44 177.86 1tka h SER 569 N 0.36 0.00 0.03 1.25 0.02 -0.14 -0.32 113.55 114.75 1tka h SER 569 Ca 0.32 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.07 1tka h SER 569 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1tka h SER 569 CO -0.35 0.17 -0.75 0.58 -1.14 0.00 0.00 176.83 175.34 1tka h VAL 570 N 0.00 1.32 -0.55 2.27 2.07 0.24 -1.56 116.25 120.04 1tka h VAL 570 Ca -0.00 -2.04 -0.07 0.00 0.82 0.00 0.00 66.70 65.40 1tka h VAL 570 Cb 0.39 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1tka h VAL 570 CO 0.02 0.63 0.05 -0.08 0.02 0.00 0.00 177.57 178.22 1tka h GLU 571 N 0.43 0.93 -0.52 1.57 4.57 -0.86 -1.48 114.58 119.22 1tka h GLU 571 Ca -0.04 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1tka h GLU 571 Cb 1.36 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 1tka h GLU 571 CO 0.14 0.92 0.29 0.00 -1.18 0.00 0.00 179.01 179.18 1tka h ALA 572 N 0.98 1.53 -0.27 2.92 0.00 -1.03 -2.49 119.26 120.90 1tka h ALA 572 Ca 0.16 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1tka h ALA 572 Cb 0.47 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1tka h ALA 572 CO 0.02 0.40 -0.52 0.00 0.00 0.00 0.00 179.25 179.15 1tka h ALA 573 N 1.60 0.58 0.04 0.00 0.00 -0.53 -0.57 119.26 120.38 1tka h ALA 573 Ca 0.19 -0.50 0.02 0.00 0.00 0.00 0.00 54.91 54.61 1tka h ALA 573 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1tka h ALA 573 CO -0.03 0.68 -0.14 0.87 0.00 0.00 0.00 179.25 180.63 1tka h LYS 574 N 0.60 -0.24 -0.56 0.00 1.57 -0.86 -0.87 116.57 116.21 1tka h LYS 574 Ca 0.02 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1tka h LYS 574 Cb 1.10 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.39 1tka h LYS 574 CO 0.11 -0.16 0.13 1.15 -0.57 0.00 0.00 179.45 180.10 1tka h THR 575 N -0.25 0.69 -0.38 -0.16 2.02 -1.44 -1.58 112.91 111.81 1tka h THR 575 Ca 0.03 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.04 1tka h THR 575 Cb 0.29 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 1tka h THR 575 CO -0.11 0.05 -0.10 -0.07 0.37 0.00 0.00 175.52 175.66 1tka h LEU 576 N 0.27 0.64 -0.02 2.58 3.38 -0.59 -3.10 115.31 118.47 1tka h LEU 576 Ca 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1tka h LEU 576 Cb 0.40 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1tka h LEU 576 CO -0.36 0.78 0.01 0.00 0.09 0.00 0.00 178.44 178.96 1tka h ALA 577 N 1.29 0.03 -0.65 1.53 0.00 -0.24 -0.49 119.26 120.72 1tka h ALA 577 Ca 0.11 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.11 1tka h ALA 577 Cb 0.53 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.19 1tka h ALA 577 CO 0.03 -0.46 -0.35 0.00 0.00 0.00 0.00 179.25 178.47 1tka h ALA 578 N 0.97 -0.04 0.00 0.00 0.00 -1.32 0.11 119.26 118.98 1tka h ALA 578 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1tka h ALA 578 Cb 0.03 0.84 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1tka h ALA 578 CO -0.00 -0.68 0.00 1.63 0.00 0.00 0.00 179.25 180.20 1tka n LYS 579 N -5.44 0.94 -2.51 0.00 5.02 -0.77 -4.84 118.16 110.56 1tka n LYS 579 Ca 0.05 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.13 1tka n LYS 579 Cb 0.36 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.92 1tka n LYS 579 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1tka n ASN 580 N 0.01 -5.97 -4.88 4.39 4.05 0.37 -5.04 115.26 108.19 1tka n ASN 580 Ca 0.00 -0.07 -0.37 0.00 0.45 0.00 0.00 54.58 54.59 1tka n ASN 580 Cb 0.23 -4.94 -0.06 0.00 1.23 0.00 0.00 39.78 36.23 1tka n ASN 580 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1tka s ILE 581 N -3.07 5.49 -0.30 -1.44 1.09 -0.27 -4.96 121.20 117.75 1tka s ILE 581 Ca 0.06 0.19 -0.09 0.00 -1.10 0.00 0.00 60.65 59.71 1tka s ILE 581 Cb -0.02 -3.40 -0.00 0.00 -1.06 0.00 0.00 42.46 37.97 1tka s ILE 581 CO 0.07 0.61 0.12 -0.54 -0.10 0.00 0.00 174.94 175.10 1tka s LYS 582 N -1.06 3.27 -0.06 2.79 3.01 -1.26 -2.87 119.74 123.56 1tka s LYS 582 Ca 0.15 -0.75 0.05 0.00 -1.01 0.00 0.00 55.97 54.41 1tka s LYS 582 Cb -0.12 -3.48 -0.01 0.00 -1.01 0.00 0.00 37.83 33.20 1tka s LYS 582 CO 0.04 -0.41 -0.22 0.00 0.51 0.00 0.00 175.35 175.28 1tka s ALA 583 N 1.58 2.30 -0.07 5.17 0.00 -1.26 0.14 121.76 129.62 1tka s ALA 583 Ca 0.04 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 1tka s ALA 583 Cb -0.17 -0.78 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 1tka s ALA 583 CO 0.05 0.43 0.22 0.50 0.00 0.00 0.00 175.76 176.96 1tka s ARG 584 N -0.22 3.57 -0.12 0.00 3.52 -1.02 -4.61 118.95 120.06 1tka s ARG 584 Ca -0.01 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.59 1tka s ARG 584 Cb -0.13 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.07 1tka s ARG 584 CO 0.03 0.73 -0.16 0.08 -0.81 0.00 0.00 175.30 175.18 1tka s VAL 585 N -1.10 2.76 -0.10 7.11 1.01 -0.14 -1.04 120.40 128.90 1tka s VAL 585 Ca 0.19 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1tka s VAL 585 Cb -0.13 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1tka s VAL 585 CO 0.09 0.53 -0.16 -0.69 0.00 0.00 0.00 175.10 174.87 1tka s VAL 586 N 0.39 2.79 -0.18 2.92 1.01 -0.20 -1.10 120.40 126.02 1tka s VAL 586 Ca -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1tka s VAL 586 Cb -0.16 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1tka s VAL 586 CO 0.06 0.55 0.11 -0.55 0.00 0.00 0.00 175.10 175.26 1tka s SER 587 N 0.08 6.02 -0.53 3.32 0.15 -0.49 -2.25 113.70 120.01 1tka s SER 587 Ca -0.07 0.21 0.07 0.00 0.70 0.00 0.00 55.95 56.86 1tka s SER 587 Cb -0.15 -2.03 0.32 0.00 -1.71 0.00 0.00 66.02 62.44 1tka s SER 587 CO 0.05 0.21 0.82 -0.11 1.20 0.00 0.00 173.24 175.41 1tka n LEU 588 N 3.33 3.17 -0.15 3.45 0.00 -0.93 -0.80 117.00 125.06 1tka n LEU 588 Ca -0.17 -5.40 0.25 0.00 0.00 0.00 0.00 56.01 50.69 1tka n LEU 588 Cb 0.52 -0.19 0.68 0.00 0.00 0.00 0.00 43.42 44.43 1tka n LEU 588 CO 0.36 2.26 1.24 1.55 0.00 0.00 0.00 177.39 182.80 1tka h PRO 589 N 3.31 0.07 -2.92 1.96 0.13 -1.56 -3.38 132.00 129.61 1tka h PRO 589 Ca 0.13 -0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.95 1tka h PRO 589 Cb 0.67 -0.02 -0.36 0.00 0.13 0.00 0.00 31.00 31.42 1tka h PRO 589 CO 0.72 0.04 -0.64 0.34 -0.23 0.00 0.00 178.00 178.24 1tka s ASP 590 N -5.75 1.05 0.27 1.44 2.15 -0.55 -1.09 116.67 114.19 1tka s ASP 590 Ca -0.06 0.11 -0.00 0.00 0.43 0.00 0.00 52.55 53.03 1tka s ASP 590 Cb 0.21 0.28 0.51 0.00 -0.30 0.00 0.00 42.92 43.63 1tka s ASP 590 CO 0.77 -0.28 1.81 -0.26 -0.17 0.00 0.00 175.17 177.04 1tka h PHE 591 N 8.35 1.00 0.28 -5.34 -1.00 -1.81 -1.05 116.94 117.37 1tka h PHE 591 Ca -0.14 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.66 1tka h PHE 591 Cb 1.13 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.38 1tka h PHE 591 CO 0.32 0.37 -0.19 0.35 -1.61 0.00 0.00 178.31 177.55 1tka h PHE 592 N 0.87 -0.51 -0.61 -0.55 3.57 -1.93 0.92 116.94 118.71 1tka h PHE 592 Ca 0.47 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.12 1tka h PHE 592 Cb 0.50 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1tka h PHE 592 CO -0.03 -0.27 0.42 1.15 -2.23 0.00 0.00 178.31 177.35 1tka h THR 593 N -0.44 0.75 0.09 4.41 2.02 -1.89 0.43 112.91 118.28 1tka h THR 593 Ca -0.04 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 1tka h THR 593 Cb 0.36 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1tka h THR 593 CO 0.03 0.02 -0.04 0.15 0.37 0.00 0.00 175.52 176.05 1tka h PHE 594 N 0.14 -0.11 0.00 3.16 3.57 -1.01 -3.07 116.94 119.61 1tka h PHE 594 Ca 0.29 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1tka h PHE 594 Cb 0.96 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.74 1tka h PHE 594 CO -0.00 0.40 0.04 -0.44 -2.23 0.00 0.00 178.31 176.08 1tka h ASP 595 N -0.73 0.00 0.29 0.41 3.32 0.54 0.27 116.42 120.52 1tka h ASP 595 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1tka h ASP 595 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1tka h ASP 595 CO 0.02 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.83 1tka n LYS 596 N -2.76 0.57 -2.61 3.56 5.02 0.01 -4.86 118.16 117.09 1tka n LYS 596 Ca -0.02 0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.97 1tka n LYS 596 Cb 0.09 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.56 1tka n LYS 596 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1tka s GLN 597 N -2.34 3.97 0.15 1.97 -1.52 0.96 -5.00 119.66 117.85 1tka s GLN 597 Ca 0.31 0.87 -0.34 0.00 -1.95 0.00 0.00 55.36 54.25 1tka s GLN 597 Cb 0.18 -2.21 -0.15 0.00 -0.22 0.00 0.00 33.01 30.61 1tka s GLN 597 CO 0.36 -0.16 1.42 -0.35 -0.25 0.00 0.00 175.29 176.32 1tka n PRO 598 N -1.28 1.67 -0.30 2.91 -0.04 -1.26 -4.84 135.00 131.86 1tka n PRO 598 Ca 0.06 0.60 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1tka n PRO 598 Cb 0.54 -2.28 0.29 0.00 -0.04 0.00 0.00 33.50 32.01 1tka n PRO 598 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1tka h LEU 599 N 4.91 0.27 -0.90 1.53 5.85 -1.94 0.29 115.31 125.32 1tka h LEU 599 Ca -0.46 0.16 0.23 0.00 0.84 0.00 0.00 57.88 58.65 1tka h LEU 599 Cb 1.30 0.15 -0.13 0.00 0.37 0.00 0.00 40.66 42.35 1tka h LEU 599 CO 0.81 -0.02 0.37 -0.08 -0.34 0.00 0.00 178.44 179.18 1tka h GLU 600 N 0.37 0.33 -0.01 1.25 4.81 -1.98 0.27 114.58 119.62 1tka h GLU 600 Ca 0.54 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1tka h GLU 600 Cb 1.02 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1tka h GLU 600 CO -0.54 0.22 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.04 1tka h TYR 601 N 0.34 0.02 -0.65 0.92 3.20 -0.81 -3.23 116.97 116.77 1tka h TYR 601 Ca 0.57 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.48 1tka h TYR 601 Cb 1.12 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.34 1tka h TYR 601 CO -0.16 0.55 0.37 0.00 -1.64 0.00 0.00 178.16 177.28 1tka h ARG 602 N -0.51 0.69 0.00 1.82 3.08 -0.40 -0.19 114.38 118.88 1tka h ARG 602 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1tka h ARG 602 Cb 0.54 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1tka h ARG 602 CO 0.00 0.45 0.00 1.28 -1.07 0.00 0.00 179.97 180.64 1tka n LEU 603 N -4.76 0.63 0.02 3.04 4.77 0.80 -0.58 117.00 120.92 1tka n LEU 603 Ca 0.07 0.73 -0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1tka n LEU 603 Cb 0.14 -0.72 -0.13 0.00 -2.33 0.00 0.00 43.42 40.37 1tka n LEU 603 CO 0.30 -0.79 -0.29 0.77 -1.33 0.00 0.00 177.39 176.05 1tka h SER 604 N 0.00 0.11 0.20 -1.43 4.64 -1.05 -3.01 113.55 113.01 1tka h SER 604 Ca 0.00 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.15 1tka h SER 604 Cb 0.16 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1tka h SER 604 CO 0.00 1.14 -0.10 0.58 -0.87 0.00 0.00 176.83 177.58 1tka h VAL 605 N 0.02 0.86 -3.17 0.95 2.07 -0.79 -3.39 116.25 112.80 1tka h VAL 605 Ca -0.20 -0.87 -0.68 0.00 0.82 0.00 0.00 66.70 65.77 1tka h VAL 605 Cb 1.94 1.33 -0.37 0.00 -1.52 0.00 0.00 31.29 32.67 1tka h VAL 605 CO 0.11 0.18 -0.22 0.18 0.02 0.00 0.00 177.57 177.84 1tka n LEU 606 N -5.01 3.94 -4.77 2.57 4.77 0.25 -4.98 117.00 113.77 1tka n LEU 606 Ca -0.09 -5.18 -0.32 0.00 -0.03 0.00 0.00 56.01 50.40 1tka n LEU 606 Cb 0.26 -0.99 0.07 0.00 -2.33 0.00 0.00 43.42 40.43 1tka n LEU 606 CO 0.29 1.65 0.72 -2.16 -1.33 0.00 0.00 177.39 176.56 1tka s PRO 607 N -1.53 2.56 0.52 3.23 0.04 -1.14 -4.62 135.00 134.07 1tka s PRO 607 Ca 0.28 1.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 1tka s PRO 607 Cb -0.04 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1tka s PRO 607 CO -0.13 -1.42 1.11 -0.51 0.04 0.00 0.00 177.00 176.10 1tka s ASP 608 N -3.07 5.92 -0.82 6.66 1.11 -1.26 -3.84 116.67 121.37 1tka s ASP 608 Ca 0.63 2.12 0.00 0.00 0.18 0.00 0.00 52.55 55.49 1tka s ASP 608 Cb -0.18 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.23 1tka s ASP 608 CO 0.49 -1.08 0.00 0.59 1.18 0.00 0.00 175.17 176.35 1tka n ASN 609 N -1.14 -3.37 -4.10 0.27 3.02 0.30 -4.92 115.26 105.31 1tka n ASN 609 Ca 0.11 0.05 -0.24 0.00 -0.03 0.00 0.00 54.58 54.47 1tka n ASN 609 Cb 0.51 -2.42 -0.16 0.00 -0.61 0.00 0.00 39.78 37.10 1tka n ASN 609 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tka s VAL 610 N -2.43 1.20 0.32 2.41 1.01 -1.25 -4.75 120.40 116.92 1tka s VAL 610 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 1tka s VAL 610 Cb 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 36.38 35.24 1tka s VAL 610 CO 0.00 0.35 1.51 -2.16 0.00 0.00 0.00 175.10 174.80 1tka s PRO 611 N -0.08 4.15 -0.07 2.72 0.04 -1.26 -4.89 135.00 135.61 1tka s PRO 611 Ca 0.00 2.51 0.05 0.00 0.04 0.00 0.00 61.00 63.60 1tka s PRO 611 Cb -0.09 -3.02 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 1tka s PRO 611 CO 0.01 -0.54 -0.22 0.42 0.04 0.00 0.00 177.00 176.71 1tka s ILE 612 N -0.49 2.30 -0.02 0.56 1.01 -1.26 -1.20 121.20 122.09 1tka s ILE 612 Ca 0.58 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1tka s ILE 612 Cb -0.46 -1.86 0.00 0.00 0.01 0.00 0.00 42.46 40.15 1tka s ILE 612 CO 0.53 0.57 -0.08 -0.32 0.00 0.00 0.00 174.94 175.64 1tka s MET 613 N -0.11 0.85 -0.02 2.79 1.75 -0.12 -0.92 119.30 123.52 1tka s MET 613 Ca -0.04 -0.28 -0.00 0.00 -1.25 0.00 0.00 55.69 54.11 1tka s MET 613 Cb -0.14 -0.81 -0.04 0.00 2.84 0.00 0.00 34.83 36.68 1tka s MET 613 CO 0.04 0.11 0.04 -1.54 -0.65 0.00 0.00 175.02 173.03 1tka s SER 614 N 0.14 5.45 -0.17 1.11 1.04 -0.87 -0.84 113.70 119.56 1tka s SER 614 Ca -0.02 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.53 1tka s SER 614 Cb -0.07 -1.53 0.03 0.00 0.10 0.00 0.00 66.02 64.55 1tka s SER 614 CO 0.00 0.30 -0.11 -0.69 0.98 0.00 0.00 173.24 173.72 1tka s VAL 615 N -1.09 1.56 -0.28 5.02 1.01 0.21 -0.40 120.40 126.43 1tka s VAL 615 Ca 0.20 -0.81 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 1tka s VAL 615 Cb -0.12 -1.57 0.11 0.00 0.00 0.00 0.00 36.38 34.81 1tka s VAL 615 CO 0.10 0.29 0.92 -0.70 0.00 0.00 0.00 175.10 175.71 1tka s GLU 616 N 1.46 0.57 -0.15 2.72 2.12 -0.87 -3.73 118.70 120.81 1tka s GLU 616 Ca 0.02 0.76 -0.02 0.00 0.36 0.00 0.00 54.97 56.08 1tka s GLU 616 Cb -0.15 0.23 -0.01 0.00 0.26 0.00 0.00 34.13 34.47 1tka s GLU 616 CO -0.09 -0.08 2.56 1.33 -0.54 0.00 0.00 175.26 178.43 1tka n VAL 617 N 2.83 2.67 -4.15 3.70 0.24 -1.26 -3.97 118.33 118.39 1tka n VAL 617 Ca -0.15 -1.46 -0.15 0.00 -2.04 0.00 0.00 64.34 60.55 1tka n VAL 617 Cb 0.56 -1.61 -0.07 0.00 -1.47 0.00 0.00 33.84 31.26 1tka n VAL 617 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1tka s LEU 618 N -0.81 1.15 0.16 1.34 1.43 -1.26 -4.66 118.68 116.02 1tka s LEU 618 Ca 0.35 -1.47 -0.34 0.00 -1.03 0.00 0.00 54.13 51.64 1tka s LEU 618 Cb 0.21 1.03 -0.16 0.00 0.03 0.00 0.00 46.19 47.30 1tka s LEU 618 CO -0.04 -1.12 1.25 0.00 0.23 0.00 0.00 176.35 176.67 1tka n ALA 619 N -0.49 -0.55 0.38 4.21 0.00 -0.63 -1.77 120.51 121.66 1tka n ALA 619 Ca 0.03 0.47 0.13 0.00 0.00 0.00 0.00 53.44 54.07 1tka n ALA 619 Cb 0.63 -2.08 0.35 0.00 0.00 0.00 0.00 19.45 18.35 1tka n ALA 619 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1tka h THR 620 N 2.90 0.00 -0.17 0.00 1.35 -1.92 -3.38 112.91 111.70 1tka h THR 620 Ca -0.45 -0.68 0.05 0.00 -0.55 0.00 0.00 66.41 64.78 1tka h THR 620 Cb 1.33 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 1tka h THR 620 CO 0.73 0.00 0.42 0.71 -0.25 0.00 0.00 175.52 177.14 1tka h THR 621 N 0.00 0.13 0.00 6.82 1.35 -1.97 -1.15 112.91 118.10 1tka h THR 621 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1tka h THR 621 Cb 0.79 0.61 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1tka h THR 621 CO 0.00 0.00 -0.57 0.00 -0.25 0.00 0.00 175.52 174.70 1tka n TRP 623 N -1.85 0.00 0.29 0.00 7.02 -0.43 -3.30 117.44 119.18 1tka n TRP 623 Ca 0.04 0.00 0.18 0.00 -1.02 0.00 0.00 57.50 56.70 1tka n TRP 623 Cb 0.40 -0.07 0.88 0.00 -2.42 0.00 0.00 31.31 30.10 1tka n TRP 623 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1tka h GLY 624 N 4.94 0.00 1.01 6.99 0.00 -1.76 -1.14 103.07 113.11 1tka h GLY 624 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tka h GLY 624 CO 0.00 0.00 -0.18 0.58 0.00 0.00 0.00 176.54 176.94 1tka n LYS 625 N -3.24 0.48 0.00 4.80 2.85 -1.21 -4.16 118.16 117.68 1tka n LYS 625 Ca -0.01 -0.19 0.00 0.00 -1.05 0.00 0.00 58.31 57.06 1tka n LYS 625 Cb 0.21 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.09 1tka n LYS 625 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1tka n TYR 626 N -1.10 0.00 -4.51 5.58 4.01 -0.91 -3.88 117.16 116.35 1tka n TYR 626 Ca 0.11 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.58 1tka n TYR 626 Cb 0.30 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.23 1tka n TYR 626 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tka s ALA 627 N -1.41 3.30 -0.25 -0.72 0.00 -0.48 -4.54 121.76 117.66 1tka s ALA 627 Ca 0.00 -2.20 -0.08 0.00 0.00 0.00 0.00 51.96 49.67 1tka s ALA 627 Cb 0.00 0.04 -0.16 0.00 0.00 0.00 0.00 23.12 23.00 1tka s ALA 627 CO 0.00 -0.13 -0.18 0.72 0.00 0.00 0.00 175.76 176.17 1tka n HIS 628 N -1.04 0.24 -4.41 0.00 8.25 -0.09 -4.76 115.22 113.40 1tka n HIS 628 Ca -0.05 0.08 -0.22 0.00 -0.26 0.00 0.00 57.72 57.27 1tka n HIS 628 Cb 0.66 -1.03 -0.10 0.00 1.12 0.00 0.00 29.99 30.65 1tka n HIS 628 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1tka s GLN 629 N -2.50 1.52 -0.02 -0.41 -1.52 -1.07 -5.04 119.66 110.62 1tka s GLN 629 Ca -0.35 -1.68 -0.00 0.00 -1.95 0.00 0.00 55.36 51.38 1tka s GLN 629 Cb 0.11 -1.49 0.03 0.00 -0.22 0.00 0.00 33.01 31.44 1tka s GLN 629 CO 0.57 0.27 0.03 -1.12 -0.25 0.00 0.00 175.29 174.79 1tka s SER 630 N -3.39 0.18 -0.22 5.90 0.01 -1.26 -2.04 113.70 112.87 1tka s SER 630 Ca 0.26 0.04 -0.04 0.00 1.31 0.00 0.00 55.95 57.53 1tka s SER 630 Cb -0.03 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 1tka s SER 630 CO 0.11 -0.14 -0.05 0.12 0.41 0.00 0.00 173.24 173.69 1tka s PHE 631 N 1.19 2.96 0.00 2.43 5.36 0.47 -4.93 117.98 125.45 1tka s PHE 631 Ca -0.08 -1.02 0.00 0.00 -0.96 0.00 0.00 56.93 54.88 1tka s PHE 631 Cb -0.13 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 1tka s PHE 631 CO -0.03 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 173.56 1tka n GLY 632 N 4.78 2.25 2.85 13.12 0.00 -1.25 -2.06 105.19 124.87 1tka n GLY 632 Ca -0.18 -0.89 -0.26 0.00 0.00 0.00 0.00 46.02 44.69 1tka n GLY 632 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tka s ILE 633 N -2.92 0.78 -0.16 -0.61 1.01 -0.73 -4.87 121.20 113.70 1tka s ILE 633 Ca 0.00 -0.20 0.14 0.00 0.00 0.00 0.00 60.65 60.59 1tka s ILE 633 Cb 0.00 -0.90 0.36 0.00 0.01 0.00 0.00 42.46 41.93 1tka s ILE 633 CO 0.00 0.27 1.19 0.47 0.00 0.00 0.00 174.94 176.87 1tka n ASP 634 N 5.01 1.84 -4.53 3.58 8.00 -1.26 -2.37 116.55 126.82 1tka n ASP 634 Ca -0.10 -3.45 -0.26 0.00 0.71 0.00 0.00 54.79 51.68 1tka n ASP 634 Cb 0.50 -0.47 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 1tka n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tka s ARG 635 N -2.83 1.89 0.77 -1.24 1.70 -1.26 -5.08 118.95 112.90 1tka s ARG 635 Ca 0.34 -2.10 -0.11 0.00 -0.47 0.00 0.00 55.73 53.39 1tka s ARG 635 Cb 0.33 -1.23 0.06 0.00 -0.57 0.00 0.00 34.95 33.54 1tka s ARG 635 CO -0.04 -0.20 1.14 -0.06 -1.08 0.00 0.00 175.30 175.06 1tka s PHE 636 N -3.00 3.03 0.00 5.89 0.08 -1.26 -4.96 117.98 117.76 1tka s PHE 636 Ca 0.29 0.77 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1tka s PHE 636 Cb 0.07 -3.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.16 1tka s PHE 636 CO 0.14 -1.59 0.00 0.41 -0.10 0.00 0.00 175.22 174.08 1tka n GLY 637 N -3.19 1.09 3.57 4.36 0.00 -1.26 -5.09 105.19 104.66 1tka n GLY 637 Ca 0.08 -1.13 -0.07 0.00 0.00 0.00 0.00 46.02 44.90 1tka n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tka s ALA 638 N -3.70 -1.96 -0.34 4.61 0.00 -1.26 -4.75 121.76 114.36 1tka s ALA 638 Ca 0.00 1.44 -0.23 0.00 0.00 0.00 0.00 51.96 53.17 1tka s ALA 638 Cb 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1tka s ALA 638 CO 0.00 -0.51 0.79 -1.12 0.00 0.00 0.00 175.76 174.92 1tka s SER 639 N -1.86 6.61 0.06 0.00 0.01 -1.26 -4.34 113.70 112.92 1tka s SER 639 Ca 0.05 0.51 -0.27 0.00 1.31 0.00 0.00 55.95 57.54 1tka s SER 639 Cb -0.01 -2.40 0.09 0.00 0.21 0.00 0.00 66.02 63.91 1tka s SER 639 CO -0.04 -0.68 1.19 -0.83 0.41 0.00 0.00 173.24 173.28 1tka s GLY 640 N 1.74 -0.16 0.21 3.44 0.00 -1.23 -4.90 107.32 106.42 1tka s GLY 640 Ca 0.32 0.14 -0.32 0.00 0.00 0.00 0.00 44.72 44.86 1tka s GLY 640 CO 0.15 2.53 1.69 0.28 0.00 0.00 0.00 173.10 177.74 1tka n LYS 641 N -0.68 2.67 -0.29 2.90 4.76 -1.26 -2.63 118.16 123.63 1tka n LYS 641 Ca -0.03 0.96 0.10 0.00 -2.87 0.00 0.00 58.31 56.47 1tka n LYS 641 Cb 0.60 -2.79 0.23 0.00 -1.84 0.00 0.00 35.03 31.24 1tka n LYS 641 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tka h ALA 642 N 6.42 1.04 -0.10 7.82 0.00 -1.87 0.23 119.26 132.79 1tka h ALA 642 Ca -0.44 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1tka h ALA 642 Cb 1.21 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1tka h ALA 642 CO 0.93 -0.46 -0.14 -1.00 0.00 0.00 0.00 179.25 178.58 1tka h PRO 643 N 0.13 0.15 -0.17 0.00 0.13 -1.94 -0.81 132.00 129.49 1tka h PRO 643 Ca 0.50 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.48 1tka h PRO 643 Cb 0.96 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1tka h PRO 643 CO -0.71 0.30 -0.41 0.93 -0.23 0.00 0.00 178.00 177.88 1tka h GLU 644 N 0.15 0.38 -0.14 0.86 5.08 -0.92 -2.13 114.58 117.86 1tka h GLU 644 Ca 0.03 -0.19 -0.21 0.00 -1.00 0.00 0.00 59.36 57.99 1tka h GLU 644 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1tka h GLU 644 CO 0.02 0.73 -0.75 0.28 -1.00 0.00 0.00 179.01 178.29 1tka h VAL 645 N 0.32 1.30 -0.08 3.13 2.07 -0.56 0.10 116.25 122.54 1tka h VAL 645 Ca 0.03 -2.00 -0.00 0.00 0.82 0.00 0.00 66.70 65.54 1tka h VAL 645 Cb 0.86 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1tka h VAL 645 CO 0.07 0.63 0.04 -0.26 0.02 0.00 0.00 177.57 178.07 1tka h PHE 646 N 0.47 0.11 -0.95 1.57 0.04 -1.33 -2.16 116.94 114.70 1tka h PHE 646 Ca -0.04 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.74 1tka h PHE 646 Cb 1.36 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 39.43 1tka h PHE 646 CO 0.07 0.17 0.63 -0.22 -0.60 0.00 0.00 178.31 178.36 1tka h LYS 647 N 0.02 1.21 0.03 1.51 3.64 -1.35 -0.95 116.57 120.69 1tka h LYS 647 Ca 0.03 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1tka h LYS 647 Cb 0.10 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1tka h LYS 647 CO -0.00 0.80 -0.20 0.35 -2.27 0.00 0.00 179.45 178.13 1tka h PHE 648 N 1.25 -0.52 0.00 1.91 3.57 -0.63 -2.23 116.94 120.28 1tka h PHE 648 Ca 0.36 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1tka h PHE 648 Cb -0.08 0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1tka h PHE 648 CO -0.01 -0.28 0.00 1.19 -2.23 0.00 0.00 178.31 176.98 1tka n PHE 649 N -5.33 0.00 -0.87 0.41 3.72 -0.82 -4.85 117.46 109.71 1tka n PHE 649 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1tka n PHE 649 Cb 0.24 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1tka n PHE 649 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1tka n GLY 650 N 0.28 0.89 3.48 1.37 0.00 -0.84 -4.94 105.19 105.44 1tka n GLY 650 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1tka n GLY 650 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tka s PHE 651 N -3.54 3.11 0.07 1.61 0.08 -0.41 -4.21 117.98 114.68 1tka s PHE 651 Ca 0.00 -1.54 0.02 0.00 0.12 0.00 0.00 56.93 55.53 1tka s PHE 651 Cb 0.00 -4.39 -0.03 0.00 -0.57 0.00 0.00 43.02 38.02 1tka s PHE 651 CO 0.00 -1.56 -0.07 0.99 -0.10 0.00 0.00 175.22 174.49 1tka s THR 652 N 2.85 0.57 0.23 0.64 2.01 -1.26 -4.18 115.64 116.49 1tka s THR 652 Ca 0.39 -1.53 -0.07 0.00 0.31 0.00 0.00 61.69 60.79 1tka s THR 652 Cb -0.03 -1.17 0.19 0.00 0.01 0.00 0.00 72.50 71.51 1tka s THR 652 CO -0.05 -0.67 1.85 -0.65 -0.69 0.00 0.00 174.62 174.41 1tka h PRO 653 N 3.68 0.90 0.00 4.92 0.11 -1.89 -0.29 132.00 139.43 1tka h PRO 653 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1tka h PRO 653 Cb 1.18 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1tka h PRO 653 CO 0.54 0.59 -0.21 1.05 -0.21 0.00 0.00 178.00 179.77 1tka h GLU 654 N 0.92 0.00 0.11 1.05 9.09 -1.94 -2.34 114.58 121.47 1tka h GLU 654 Ca 0.34 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.46 1tka h GLU 654 Cb 0.12 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.25 1tka h GLU 654 CO -0.15 0.00 -1.23 0.78 0.05 0.00 0.00 179.01 178.46 1tka h GLY 655 N 4.38 0.70 0.90 1.06 0.00 -1.40 -2.52 103.07 106.18 1tka h GLY 655 Ca 0.00 -1.44 -0.09 0.00 0.00 0.00 0.00 47.33 45.80 1tka h GLY 655 CO 0.00 1.27 -0.19 -2.08 0.00 0.00 0.00 176.54 175.54 1tka h VAL 656 N 0.28 1.31 -0.25 4.60 2.07 -1.15 -3.15 116.25 119.96 1tka h VAL 656 Ca -0.18 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 1tka h VAL 656 Cb 1.90 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1tka h VAL 656 CO 0.23 0.41 0.08 0.00 0.02 0.00 0.00 177.57 178.32 1tka h ALA 657 N 0.71 0.33 -0.71 1.67 0.00 -1.42 -0.26 119.26 119.58 1tka h ALA 657 Ca 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1tka h ALA 657 Cb 0.72 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.33 1tka h ALA 657 CO 0.05 -0.04 0.29 1.49 0.00 0.00 0.00 179.25 181.04 1tka h GLU 658 N 0.25 0.45 -0.47 0.00 4.81 -1.54 0.11 114.58 118.18 1tka h GLU 658 Ca 0.08 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1tka h GLU 658 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 1tka h GLU 658 CO -0.00 0.30 0.16 0.00 -0.73 0.00 0.00 179.01 178.73 1tka h ARG 659 N 0.46 0.72 -0.50 1.92 3.08 -1.48 -0.73 114.38 117.84 1tka h ARG 659 Ca 0.38 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.30 1tka h ARG 659 Cb 0.52 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1tka h ARG 659 CO -0.36 0.67 0.30 0.00 -1.07 0.00 0.00 179.97 179.52 1tka h ALA 660 N 1.01 0.64 -0.22 0.04 0.00 0.29 -1.75 119.26 119.27 1tka h ALA 660 Ca 0.15 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1tka h ALA 660 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1tka h ALA 660 CO -0.01 -0.00 0.10 1.96 0.00 0.00 0.00 179.25 181.30 1tka h GLN 661 N 0.60 0.21 -0.89 0.00 4.20 -0.72 -1.55 115.11 116.96 1tka h GLN 661 Ca 0.20 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.96 1tka h GLN 661 Cb 0.02 -0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.70 1tka h GLN 661 CO -0.09 0.14 0.58 0.87 -0.67 0.00 0.00 178.83 179.66 1tka h LYS 662 N 0.22 1.00 0.37 1.46 1.79 -0.94 -0.89 116.57 119.58 1tka h LYS 662 Ca 0.09 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 1tka h LYS 662 Cb 0.03 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 1tka h LYS 662 CO -0.07 0.66 -0.19 1.15 -1.08 0.00 0.00 179.45 179.92 1tka h THR 663 N 1.03 0.61 -0.41 -0.16 2.02 -0.82 0.84 112.91 116.02 1tka h THR 663 Ca 0.38 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.64 1tka h THR 663 Cb 0.16 0.61 -0.09 0.00 -1.74 0.00 0.00 68.15 67.09 1tka h THR 663 CO -0.14 0.00 -0.19 0.40 0.37 0.00 0.00 175.52 175.97 1tka h ILE 664 N -0.52 0.43 -0.83 3.11 2.04 -1.04 -1.87 117.51 118.84 1tka h ILE 664 Ca -0.05 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 1tka h ILE 664 Cb 0.41 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1tka h ILE 664 CO 0.07 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.59 1tka h ALA 665 N 1.18 1.09 -0.58 1.87 0.00 -0.92 0.40 119.26 122.31 1tka h ALA 665 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1tka h ALA 665 Cb 0.41 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1tka h ALA 665 CO -0.48 0.67 0.30 0.35 0.00 0.00 0.00 179.25 180.10 1tka h PHE 666 N 1.19 0.80 0.00 0.00 3.57 -0.33 -3.24 116.94 118.94 1tka h PHE 666 Ca 0.28 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1tka h PHE 666 Cb 0.16 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 1tka h PHE 666 CO 0.02 0.59 -1.09 0.66 -2.23 0.00 0.00 178.31 176.26 1tka n TYR 667 N -4.58 0.91 -1.70 0.41 4.01 -0.75 -4.96 117.16 110.50 1tka n TYR 667 Ca 0.03 0.27 -0.62 0.00 -0.16 0.00 0.00 57.90 57.42 1tka n TYR 667 Cb 0.10 -0.94 -0.09 0.00 -0.31 0.00 0.00 39.34 38.10 1tka n TYR 667 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1tka n LYS 668 N -2.66 0.58 0.00 -0.72 0.00 0.08 -0.99 118.16 114.45 1tka n LYS 668 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 58.31 58.51 1tka n LYS 668 Cb 0.57 -1.81 0.00 0.00 0.00 0.00 0.00 35.03 33.78 1tka n LYS 668 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1tka n GLY 669 N 4.32 2.98 3.75 3.14 0.00 -1.26 -5.06 105.19 113.05 1tka n GLY 669 Ca 0.30 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1tka n GLY 669 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tka s ASP 670 N 0.03 4.35 0.10 1.61 1.01 -0.16 -5.04 116.67 118.56 1tka s ASP 670 Ca 0.00 1.99 -0.07 0.00 0.71 0.00 0.00 52.55 55.18 1tka s ASP 670 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.33 1tka s ASP 670 CO 0.00 -2.15 0.36 -1.59 0.21 0.00 0.00 175.17 172.01 1tka s LYS 671 N -4.55 3.65 -0.06 8.23 -2.85 -1.26 -5.09 119.74 117.81 1tka s LYS 671 Ca 0.65 -0.01 0.04 0.00 -1.00 0.00 0.00 55.97 55.65 1tka s LYS 671 Cb -0.20 -2.94 0.00 0.00 -2.06 0.00 0.00 37.83 32.63 1tka s LYS 671 CO 0.52 0.53 -0.18 -0.51 0.10 0.00 0.00 175.35 175.81 1tka s LEU 672 N -2.26 1.89 0.01 2.77 1.02 -1.26 -5.00 118.68 115.84 1tka s LEU 672 Ca 0.36 -0.39 -0.17 0.00 0.02 0.00 0.00 54.13 53.95 1tka s LEU 672 Cb -0.13 -1.06 -0.06 0.00 0.02 0.00 0.00 46.19 44.97 1tka s LEU 672 CO 0.21 0.13 0.48 -0.63 0.02 0.00 0.00 176.35 176.56 1tka s ILE 673 N 0.26 4.93 0.29 -0.59 -1.09 -1.26 0.11 121.20 123.85 1tka s ILE 673 Ca -0.10 1.01 -0.29 0.00 -2.23 0.00 0.00 60.65 59.04 1tka s ILE 673 Cb -0.14 -3.80 -0.10 0.00 -1.58 0.00 0.00 42.46 36.84 1tka s ILE 673 CO 0.04 0.54 1.38 -0.55 -1.23 0.00 0.00 174.94 175.12 1tka s SER 674 N -0.87 6.68 0.60 3.58 0.15 -1.26 -4.81 113.70 117.76 1tka s SER 674 Ca 0.26 2.70 0.36 0.00 0.70 0.00 0.00 55.95 59.97 1tka s SER 674 Cb -0.18 -2.64 1.89 0.00 -1.71 0.00 0.00 66.02 63.38 1tka s SER 674 CO 0.15 -0.64 2.21 -0.65 1.20 0.00 0.00 173.24 175.51 1tka h PRO 675 N 4.20 0.00 -0.34 5.44 0.11 -1.83 -2.66 132.00 136.92 1tka h PRO 675 Ca -0.48 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1tka h PRO 675 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1tka h PRO 675 CO 0.72 0.03 0.25 -0.07 -0.21 0.00 0.00 178.00 178.72 1tka h LEU 676 N 0.00 0.00 -9.22 2.35 3.38 -1.88 -3.45 115.31 106.49 1tka h LEU 676 Ca -0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1tka h LEU 676 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1tka h LEU 676 CO 0.00 0.00 0.91 -0.54 0.09 0.00 0.00 178.44 178.91 1tka s LYS 677 N -5.03 4.24 0.11 1.13 1.02 -1.01 -5.06 119.74 115.14 1tka s LYS 677 Ca -0.05 1.81 0.08 0.00 0.02 0.00 0.00 55.97 57.83 1tka s LYS 677 Cb 0.19 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 1tka s LYS 677 CO 0.71 -0.69 -0.14 -1.59 -0.92 0.00 0.00 175.35 172.72 1tka s LYS 678 N 3.34 1.98 0.11 1.68 -2.85 -1.26 -5.02 119.74 117.72 1tka s LYS 678 Ca 0.60 -1.09 -0.11 0.00 -1.00 0.00 0.00 55.97 54.37 1tka s LYS 678 Cb -0.26 -2.22 -0.15 0.00 -2.06 0.00 0.00 37.83 33.14 1tka s LYS 678 CO 0.20 0.50 1.29 0.00 0.10 0.00 0.00 175.35 177.44 1tka h ALA 679 N 3.70 0.29 0.00 0.59 0.00 -2.01 -3.56 119.26 118.28 1tka h ALA 679 Ca -0.49 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 53.78 1tka h ALA 679 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1tka h ALA 679 CO 0.49 0.70 0.00 1.97 0.00 0.00 0.00 179.25 182.42