#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rka n LEU 5 N 0.00 0.64 0.00 2.61 4.77 -1.26 -4.94 117.00 118.83 2rka n LEU 5 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2rka n LEU 5 Cb 0.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2rka n LEU 5 CO 0.00 -0.02 0.00 1.41 -1.33 0.00 0.00 177.39 177.45 2rka n HIS 6 N -1.98 0.00 -2.24 -1.77 8.25 -1.26 -5.11 115.22 111.11 2rka n HIS 6 Ca 0.04 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.51 2rka n HIS 6 Cb 0.42 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.54 2rka n HIS 6 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2rka n ASN 7 N 0.00 0.46 -0.08 0.41 3.02 -1.26 -4.92 115.26 112.89 2rka n ASN 7 Ca 0.00 -1.99 0.05 0.00 -0.03 0.00 0.00 54.58 52.61 2rka n ASN 7 Cb 0.00 -0.24 -0.04 0.00 -0.61 0.00 0.00 39.78 38.89 2rka n ASN 7 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rka n GLY 8 N 0.24 -0.02 0.10 7.41 0.00 -1.26 -4.67 105.19 106.99 2rka n GLY 8 Ca 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2rka n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rka n LEU 9 N -0.92 0.45 -4.60 0.99 4.77 -1.26 -4.83 117.00 111.60 2rka n LEU 9 Ca 0.03 0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.59 2rka n LEU 9 Cb 0.18 0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.53 2rka n LEU 9 CO 0.18 0.55 0.92 -0.62 -1.33 0.00 0.00 177.39 177.09 2rka s ASP 10 N -5.67 6.69 -0.03 -1.43 2.15 -1.26 -4.92 116.67 112.20 2rka s ASP 10 Ca -0.13 0.57 0.17 0.00 0.43 0.00 0.00 52.55 53.59 2rka s ASP 10 Cb 0.07 -2.52 0.53 0.00 -0.30 0.00 0.00 42.92 40.70 2rka s ASP 10 CO 0.80 -1.06 1.44 0.49 -0.17 0.00 0.00 175.17 176.66 2rka n PHE 11 N 7.32 0.90 -0.34 -5.34 3.72 -1.26 -4.56 117.46 117.90 2rka n PHE 11 Ca 0.10 -0.42 0.10 0.00 -0.05 0.00 0.00 57.45 57.19 2rka n PHE 11 Cb 0.48 -0.06 0.27 0.00 -0.94 0.00 0.00 39.48 39.24 2rka n PHE 11 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2rka h SER 12 N 3.38 0.73 0.43 4.37 0.02 -1.99 -1.44 113.55 119.05 2rka h SER 12 Ca 0.00 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2rka h SER 12 Cb 0.91 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.40 2rka h SER 12 CO 0.06 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 176.04 2rka h ALA 13 N 1.60 1.00 -0.03 3.77 0.00 -2.02 -2.82 119.26 120.76 2rka h ALA 13 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2rka h ALA 13 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2rka h ALA 13 CO -0.36 0.00 -0.08 1.63 0.00 0.00 0.00 179.25 180.45 2rka n LYS 14 N -2.61 2.15 -2.57 0.00 5.02 -0.54 -4.92 118.16 114.67 2rka n LYS 14 Ca -0.00 -1.77 -0.43 0.00 -2.02 0.00 0.00 58.31 54.08 2rka n LYS 14 Cb 0.16 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.68 2rka n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2rka s VAL 15 N -2.08 4.50 -0.70 -0.18 1.01 -1.07 -0.75 120.40 121.15 2rka s VAL 15 Ca 0.27 1.80 0.15 0.00 0.00 0.00 0.00 61.98 64.19 2rka s VAL 15 Cb 0.20 -4.23 -0.17 0.00 0.00 0.00 0.00 36.38 32.17 2rka s VAL 15 CO 0.34 -0.24 0.64 2.30 0.00 0.00 0.00 175.10 178.14 2rka n ILE 16 N 5.49 0.00 -3.72 2.22 -5.35 0.42 -4.91 119.36 113.52 2rka n ILE 16 Ca 0.13 -0.15 -0.12 0.00 -0.27 0.00 0.00 62.75 62.34 2rka n ILE 16 Cb 0.46 0.96 -0.11 0.00 -1.74 0.00 0.00 39.64 39.21 2rka n ILE 16 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2rka s GLN 17 N -2.48 0.39 1.21 6.28 0.74 -1.24 -5.00 119.66 119.57 2rka s GLN 17 Ca 0.05 0.65 0.00 0.00 0.05 0.00 0.00 55.36 56.11 2rka s GLN 17 Cb 0.12 0.06 0.00 0.00 1.10 0.00 0.00 33.01 34.29 2rka s GLN 17 CO 0.63 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.67 2rka n GLY 18 N 3.70 -1.73 3.36 2.59 0.00 -1.26 -1.15 105.19 110.70 2rka n GLY 18 Ca -0.19 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 2rka n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rka s SER 19 N -4.00 -0.56 0.44 1.61 0.15 -1.26 -4.98 113.70 105.10 2rka s SER 19 Ca 0.00 1.00 0.11 0.00 0.70 0.00 0.00 55.95 57.75 2rka s SER 19 Cb 0.00 0.93 0.96 0.00 -1.71 0.00 0.00 66.02 66.20 2rka s SER 19 CO 0.00 -0.19 2.04 -0.07 1.20 0.00 0.00 173.24 176.22 2rka h LEU 20 N 6.42 0.24 -1.38 3.45 3.38 -1.93 -2.63 115.31 122.87 2rka h LEU 20 Ca -0.32 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2rka h LEU 20 Cb 1.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2rka h LEU 20 CO 0.24 0.25 -0.31 0.44 0.09 0.00 0.00 178.44 179.15 2rka h ASP 21 N 0.27 0.00 1.77 -0.43 3.32 -2.00 -2.95 116.42 116.40 2rka h ASP 21 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2rka h ASP 21 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2rka h ASP 21 CO -0.00 0.31 -0.13 0.77 -1.72 0.00 0.00 179.24 178.47 2rka h SER 22 N 0.00 0.00 -3.98 6.45 4.64 -1.89 -3.46 113.55 115.31 2rka h SER 22 Ca -0.00 -0.01 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 2rka h SER 22 Cb 0.57 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.72 2rka h SER 22 CO 0.04 0.00 0.48 -0.76 -0.87 0.00 0.00 176.83 175.73 2rka s LEU 23 N -5.78 4.07 0.53 5.97 1.43 -1.12 -5.00 118.68 118.79 2rka s LEU 23 Ca 0.07 2.29 -0.22 0.00 -1.03 0.00 0.00 54.13 55.24 2rka s LEU 23 Cb 0.07 -4.19 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 2rka s LEU 23 CO 0.67 -0.82 1.29 -2.65 0.23 0.00 0.00 176.35 175.07 2rka n PRO 24 N -0.32 1.63 -0.35 1.29 -0.02 -1.26 -4.70 135.00 131.26 2rka n PRO 24 Ca 0.06 0.60 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 2rka n PRO 24 Cb 0.48 -2.48 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 2rka n PRO 24 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2rka n GLN 25 N -0.82 -0.32 0.20 -0.52 7.27 -1.26 -0.92 117.38 121.02 2rka n GLN 25 Ca 0.10 1.30 0.08 0.00 0.07 0.00 0.00 57.00 58.55 2rka n GLN 25 Cb 0.44 -1.92 0.38 0.00 2.41 0.00 0.00 30.24 31.54 2rka n GLN 25 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 2rka h GLU 26 N 0.00 0.00 -0.21 3.69 4.39 -1.95 -2.13 114.58 118.38 2rka h GLU 26 Ca 0.19 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.84 2rka h GLU 26 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2rka h GLU 26 CO -0.82 0.30 -0.08 0.28 -1.16 0.00 0.00 179.01 177.52 2rka h VAL 27 N 0.00 1.30 -0.39 3.13 2.07 -1.38 -2.29 116.25 118.69 2rka h VAL 27 Ca -0.00 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.44 2rka h VAL 27 Cb 0.85 1.59 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 2rka h VAL 27 CO 0.04 0.34 0.16 -0.09 0.02 0.00 0.00 177.57 178.04 2rka h ARG 28 N 0.14 0.32 -0.57 1.57 2.43 -0.91 0.44 114.38 117.79 2rka h ARG 28 Ca 0.05 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 2rka h ARG 28 Cb 0.56 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 2rka h ARG 28 CO 0.03 0.21 0.27 0.87 -1.51 0.00 0.00 179.97 179.84 2rka h LYS 29 N 0.33 0.50 0.12 0.20 1.57 -1.40 0.17 116.57 118.06 2rka h LYS 29 Ca 0.17 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2rka h LYS 29 Cb 0.13 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2rka h LYS 29 CO -0.16 0.33 -0.06 0.35 -0.57 0.00 0.00 179.45 179.34 2rka h PHE 30 N 0.52 -0.15 -0.09 -1.35 3.57 -0.96 -0.11 116.94 118.37 2rka h PHE 30 Ca 0.26 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2rka h PHE 30 Cb 0.22 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2rka h PHE 30 CO -0.11 -0.04 0.04 0.28 -2.23 0.00 0.00 178.31 176.24 2rka h VAL 31 N -0.22 1.13 0.01 1.41 2.07 -0.62 -2.64 116.25 117.39 2rka h VAL 31 Ca -0.02 -0.38 -0.26 0.00 0.82 0.00 0.00 66.70 66.86 2rka h VAL 31 Cb 0.17 1.22 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2rka h VAL 31 CO 0.03 0.11 -1.03 -0.08 0.02 0.00 0.00 177.57 176.62 2rka h GLU 32 N 0.00 0.59 -0.78 1.57 4.81 -0.69 -0.00 114.58 120.08 2rka h GLU 32 Ca 0.03 -0.65 0.01 0.00 -0.13 0.00 0.00 59.36 58.62 2rka h GLU 32 Cb 0.15 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 2rka h GLU 32 CO -0.00 1.25 0.52 0.78 -0.73 0.00 0.00 179.01 180.83 2rka h GLY 33 N 0.71 1.10 2.00 1.92 0.00 -1.08 -0.33 103.07 107.38 2rka h GLY 33 Ca -0.12 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.66 2rka h GLY 33 CO 0.19 0.40 -0.70 3.43 0.00 0.00 0.00 176.54 179.87 2rka h ASN 34 N 1.06 0.00 -0.54 0.19 2.35 -1.41 -2.67 115.58 114.56 2rka h ASN 34 Ca 0.29 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 2rka h ASN 34 Cb -0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2rka h ASN 34 CO -0.06 0.70 0.19 0.00 -1.65 0.00 0.00 177.43 176.60 2rka h ALA 35 N 1.30 0.70 -1.00 -0.83 0.00 -0.70 0.63 119.26 119.36 2rka h ALA 35 Ca -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2rka h ALA 35 Cb 1.30 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2rka h ALA 35 CO 0.09 0.35 0.65 1.96 0.00 0.00 0.00 179.25 182.30 2rka h GLN 36 N 0.74 1.19 0.12 0.00 4.20 -1.02 0.43 115.11 120.77 2rka h GLN 36 Ca 0.18 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2rka h GLN 36 Cb 0.25 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2rka h GLN 36 CO -0.01 0.78 -0.06 1.25 -0.67 0.00 0.00 178.83 180.13 2rka h LEU 37 N 1.22 -0.14 0.00 1.46 5.85 -1.16 -3.37 115.31 119.17 2rka h LEU 37 Ca 0.41 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2rka h LEU 37 Cb 0.08 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2rka h LEU 37 CO -0.15 0.44 -0.54 0.00 -0.34 0.00 0.00 178.44 177.86 2rka n GLN 39 N -1.69 -5.03 -1.19 0.00 1.13 0.14 -0.60 117.38 110.13 2rka n GLN 39 Ca 0.05 0.78 -0.32 0.00 -1.94 0.00 0.00 57.00 55.57 2rka n GLN 39 Cb 0.37 -5.62 0.11 0.00 0.11 0.00 0.00 30.24 25.21 2rka n GLN 39 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2rka s PRO 40 N -5.32 1.86 0.12 -1.09 0.04 -1.26 -2.92 135.00 126.43 2rka s PRO 40 Ca 0.12 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 2rka s PRO 40 Cb -0.02 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2rka s PRO 40 CO 0.76 -2.00 1.30 1.49 0.04 0.00 0.00 177.00 178.58 2rka h GLU 41 N -0.96 0.45 -4.23 4.56 4.81 -0.74 -3.46 114.58 115.00 2rka h GLU 41 Ca -0.45 -0.47 -0.17 0.00 -0.13 0.00 0.00 59.36 58.13 2rka h GLU 41 Cb 1.27 0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.60 2rka h GLU 41 CO 0.48 1.13 -0.70 0.71 -0.73 0.00 0.00 179.01 179.90 2rka s TYR 42 N -3.30 0.48 -0.15 0.92 2.02 -1.19 -4.84 117.35 111.30 2rka s TYR 42 Ca -0.06 -0.76 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 2rka s TYR 42 Cb 0.09 -0.33 0.01 0.00 -0.40 0.00 0.00 41.96 41.33 2rka s TYR 42 CO 0.87 -0.24 -0.20 0.42 -1.57 0.00 0.00 175.55 174.83 2rka s ILE 43 N -2.56 1.96 -0.28 2.71 1.01 0.07 -0.21 121.20 123.90 2rka s ILE 43 Ca -0.04 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 2rka s ILE 43 Cb -0.02 -1.75 0.04 0.00 0.01 0.00 0.00 42.46 40.74 2rka s ILE 43 CO -0.04 0.53 -0.03 -2.28 0.00 0.00 0.00 174.94 173.11 2rka s HIS 44 N 1.00 3.19 -0.46 3.97 5.65 -0.13 -0.43 115.29 128.08 2rka s HIS 44 Ca -0.03 -1.80 -0.25 0.00 0.25 0.00 0.00 55.06 53.22 2rka s HIS 44 Cb -0.15 -2.07 0.03 0.00 -1.18 0.00 0.00 32.58 29.21 2rka s HIS 44 CO -0.05 -0.79 0.92 0.42 -0.65 0.00 0.00 174.74 174.59 2rka s ILE 45 N 1.26 4.49 0.30 0.89 1.01 -0.30 0.00 121.20 128.86 2rka s ILE 45 Ca -0.04 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.07 2rka s ILE 45 Cb -0.19 -4.42 -0.10 0.00 0.01 0.00 0.00 42.46 37.76 2rka s ILE 45 CO -0.03 -0.81 1.40 0.00 0.00 0.00 0.00 174.94 175.50 2rka n ASP 47 N 1.41 0.98 -0.15 0.00 5.68 -1.26 -4.22 116.55 118.98 2rka n ASP 47 Ca 0.03 -0.99 -0.02 0.00 -0.50 0.00 0.00 54.79 53.31 2rka n ASP 47 Cb 0.41 0.89 -0.01 0.00 -1.14 0.00 0.00 41.12 41.26 2rka n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rka n GLY 48 N 1.35 0.50 3.84 6.12 0.00 -1.26 -2.00 105.19 113.74 2rka n GLY 48 Ca 0.04 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 2rka n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rka s SER 49 N -2.26 5.99 0.28 1.61 1.04 -1.26 -4.92 113.70 114.18 2rka s SER 49 Ca 0.00 1.54 -0.03 0.00 0.48 0.00 0.00 55.95 57.94 2rka s SER 49 Cb 0.00 -2.49 0.37 0.00 0.10 0.00 0.00 66.02 64.00 2rka s SER 49 CO 0.00 -1.03 1.94 -0.33 0.98 0.00 0.00 173.24 174.80 2rka h GLU 50 N -0.19 1.14 -0.47 4.02 4.39 -1.99 -2.11 114.58 119.37 2rka h GLU 50 Ca -0.45 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.09 2rka h GLU 50 Cb 1.20 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 2rka h GLU 50 CO 0.60 0.78 -0.00 1.05 -1.16 0.00 0.00 179.01 180.28 2rka h GLU 51 N 1.17 0.83 -0.71 2.33 9.09 -1.99 -0.66 114.58 124.65 2rka h GLU 51 Ca 0.31 -0.27 0.01 0.00 0.05 0.00 0.00 59.36 59.46 2rka h GLU 51 Cb -0.09 -0.07 -0.04 0.00 -1.65 0.00 0.00 28.75 26.90 2rka h GLU 51 CO -0.06 0.89 0.47 1.49 0.05 0.00 0.00 179.01 181.84 2rka h GLU 52 N 0.69 0.92 0.03 1.06 4.81 -1.89 -1.21 114.58 118.98 2rka h GLU 52 Ca 0.13 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2rka h GLU 52 Cb 0.51 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2rka h GLU 52 CO 0.03 0.61 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.98 2rka h TYR 53 N 0.95 -0.04 -0.67 0.92 3.20 -1.18 -1.45 116.97 118.71 2rka h TYR 53 Ca 0.26 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.07 2rka h TYR 53 Cb -0.09 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2rka h TYR 53 CO -0.03 0.24 0.19 0.78 -1.64 0.00 0.00 178.16 177.70 2rka h GLY 54 N -0.31 1.13 1.26 1.82 0.00 -1.04 -1.76 103.07 104.18 2rka h GLY 54 Ca -0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.54 2rka h GLY 54 CO 0.01 0.64 -0.08 3.21 0.00 0.00 0.00 176.54 180.32 2rka h ARG 55 N 0.98 0.87 -0.36 4.80 3.08 -1.21 -1.71 114.38 120.83 2rka h ARG 55 Ca 0.21 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 2rka h ARG 55 Cb 0.33 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2rka h ARG 55 CO -0.00 0.92 0.06 1.25 -1.07 0.00 0.00 179.97 181.13 2rka h LEU 56 N 0.79 0.57 -0.24 3.04 6.46 -1.06 -1.27 115.31 123.60 2rka h LEU 56 Ca 0.13 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2rka h LEU 56 Cb 0.59 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2rka h LEU 56 CO 0.04 0.68 0.11 -0.07 -0.62 0.00 0.00 178.44 178.58 2rka h LEU 57 N 0.43 0.32 -1.02 2.25 3.38 -1.27 -1.35 115.31 118.05 2rka h LEU 57 Ca 0.11 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2rka h LEU 57 Cb 0.35 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2rka h LEU 57 CO 0.01 0.36 0.60 0.00 0.09 0.00 0.00 178.44 179.50 2rka h ALA 58 N 0.97 1.28 -0.48 1.53 0.00 -1.25 -0.33 119.26 120.98 2rka h ALA 58 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2rka h ALA 58 Cb 0.13 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2rka h ALA 58 CO -0.01 0.65 0.07 1.25 0.00 0.00 0.00 179.25 181.21 2rka h HIS 59 N 1.29 0.85 -0.77 0.00 -0.00 -1.02 -0.06 115.15 115.45 2rka h HIS 59 Ca 0.34 -0.12 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 2rka h HIS 59 Cb -0.11 -0.23 -0.04 0.00 -0.00 0.00 0.00 27.41 27.04 2rka h HIS 59 CO 0.00 0.79 0.39 0.52 -0.00 0.00 0.00 177.93 179.63 2rka h MET 60 N 0.67 1.10 -0.44 5.26 2.07 -0.89 -1.89 114.93 120.80 2rka h MET 60 Ca 0.14 -0.15 0.04 0.00 -2.07 0.00 0.00 59.70 57.66 2rka h MET 60 Cb 0.40 -0.20 -0.04 0.00 -1.87 0.00 0.00 31.60 29.89 2rka h MET 60 CO 0.01 0.84 0.21 0.37 1.07 0.00 0.00 176.91 179.41 2rka h GLN 61 N 1.08 0.41 -0.78 1.72 4.15 -0.76 0.79 115.11 121.71 2rka h GLN 61 Ca 0.27 -0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.79 2rka h GLN 61 Cb 0.09 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 27.60 2rka h GLN 61 CO -0.04 0.27 0.37 0.93 -1.93 0.00 0.00 178.83 178.43 2rka h GLU 62 N 0.42 0.54 -0.00 1.69 5.08 -0.60 -2.50 114.58 119.20 2rka h GLU 62 Ca 0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2rka h GLU 62 Cb 0.11 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.24 2rka h GLU 62 CO -0.14 0.36 -0.06 0.39 -1.00 0.00 0.00 179.01 178.56 2rka n GLU 63 N -4.92 0.90 -1.05 2.33 1.02 -0.75 -4.90 120.64 113.28 2rka n GLU 63 Ca 0.15 -0.27 -0.02 0.00 -0.02 0.00 0.00 57.16 57.00 2rka n GLU 63 Cb 0.39 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 2rka n GLU 63 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rka n GLY 64 N 1.19 0.54 0.10 0.62 0.00 -0.91 -4.94 105.19 101.79 2rka n GLY 64 Ca 0.18 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 2rka n GLY 64 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2rka h VAL 65 N 0.00 1.29 -4.12 1.61 2.07 -1.08 -3.44 116.25 112.57 2rka h VAL 65 Ca -0.04 -2.96 -0.19 0.00 0.82 0.00 0.00 66.70 64.33 2rka h VAL 65 Cb 0.15 2.77 -0.15 0.00 -1.52 0.00 0.00 31.29 32.54 2rka h VAL 65 CO 0.05 0.83 -0.67 0.27 0.02 0.00 0.00 177.57 178.07 2rka s ILE 66 N -2.64 0.36 -0.03 4.57 -4.36 -1.19 -4.56 121.20 113.36 2rka s ILE 66 Ca -0.06 -1.90 0.07 0.00 -0.26 0.00 0.00 60.65 58.51 2rka s ILE 66 Cb 0.08 -1.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 2rka s ILE 66 CO 0.85 -0.71 -0.24 -0.13 0.24 0.00 0.00 174.94 174.95 2rka s ARG 67 N -3.94 2.22 0.15 0.37 0.52 -0.15 -4.09 118.95 114.04 2rka s ARG 67 Ca 0.16 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 54.19 2rka s ARG 67 Cb 0.07 -2.12 -0.07 0.00 0.52 0.00 0.00 34.95 33.35 2rka s ARG 67 CO -0.03 0.56 1.20 0.21 0.02 0.00 0.00 175.30 177.26 2rka s LYS 68 N -0.60 4.48 -0.68 3.54 2.20 -1.26 -0.55 119.74 126.88 2rka s LYS 68 Ca 0.09 1.85 -0.19 0.00 -0.36 0.00 0.00 55.97 57.36 2rka s LYS 68 Cb -0.10 -3.27 0.11 0.00 -1.51 0.00 0.00 37.83 33.06 2rka s LYS 68 CO -0.00 -0.13 0.83 -0.51 -0.36 0.00 0.00 175.35 175.17 2rka s LEU 69 N 0.11 5.24 0.27 5.43 1.43 0.05 -4.91 118.68 126.30 2rka s LEU 69 Ca 0.54 -1.53 0.23 0.00 -1.03 0.00 0.00 54.13 52.34 2rka s LEU 69 Cb -0.32 -2.33 1.01 0.00 0.03 0.00 0.00 46.19 44.58 2rka s LEU 69 CO 0.34 -1.14 1.71 2.29 0.23 0.00 0.00 176.35 179.79 2rka n LYS 70 N 6.47 0.19 0.16 1.70 2.85 -1.14 -2.33 118.16 126.07 2rka n LYS 70 Ca -0.01 0.46 0.02 0.00 -1.05 0.00 0.00 58.31 57.72 2rka n LYS 70 Cb 0.44 -1.89 0.27 0.00 -0.65 0.00 0.00 35.03 33.20 2rka n LYS 70 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 2rka h LYS 71 N 0.00 0.00 -5.96 -1.58 3.64 -1.39 -3.46 116.57 107.82 2rka h LYS 71 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 2rka h LYS 71 Cb 0.31 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 2rka h LYS 71 CO 0.00 0.49 -0.39 0.71 -2.27 0.00 0.00 179.45 177.99 2rka s TYR 72 N -3.77 2.20 -0.42 1.91 2.02 -0.98 -5.01 117.35 113.30 2rka s TYR 72 Ca -0.01 -0.68 -0.22 0.00 -0.37 0.00 0.00 57.07 55.78 2rka s TYR 72 Cb 0.13 -1.98 0.02 0.00 -0.40 0.00 0.00 41.96 39.72 2rka s TYR 72 CO 0.73 -0.17 0.75 0.34 -1.57 0.00 0.00 175.55 175.64 2rka s ASP 73 N -4.12 6.44 -1.40 2.29 2.15 -1.21 -4.46 116.67 116.36 2rka s ASP 73 Ca 0.39 0.00 -0.03 0.00 0.43 0.00 0.00 52.55 53.34 2rka s ASP 73 Cb -0.01 -2.37 0.02 0.00 -0.30 0.00 0.00 42.92 40.26 2rka s ASP 73 CO 0.23 -0.82 0.64 -3.20 -0.17 0.00 0.00 175.17 171.85 2rka n ASN 74 N 6.51 -1.47 -4.53 -0.34 4.05 -1.26 -1.10 115.26 117.11 2rka n ASN 74 Ca 0.02 -0.89 -0.30 0.00 0.45 0.00 0.00 54.58 53.85 2rka n ASN 74 Cb 0.48 -3.59 -0.11 0.00 1.23 0.00 0.00 39.78 37.79 2rka n ASN 74 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2rka s TRP 76 N -1.11 0.75 -0.09 0.00 0.52 -0.40 -0.77 118.94 117.83 2rka s TRP 76 Ca 0.19 -0.63 0.01 0.00 0.02 0.00 0.00 56.10 55.69 2rka s TRP 76 Cb -0.11 -0.44 0.02 0.00 -1.15 0.00 0.00 33.47 31.79 2rka s TRP 76 CO 0.10 -0.10 -0.10 -1.17 0.02 0.00 0.00 176.95 175.70 2rka s LEU 77 N -2.03 1.39 -0.12 2.99 2.96 0.29 -0.19 118.68 123.97 2rka s LEU 77 Ca -0.03 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 2rka s LEU 77 Cb -0.05 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 2rka s LEU 77 CO -0.01 -0.06 -0.06 0.00 -1.32 0.00 0.00 176.35 174.91 2rka s ALA 78 N 1.28 2.96 -0.14 5.97 0.00 0.08 -0.97 121.76 130.94 2rka s ALA 78 Ca -0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 2rka s ALA 78 Cb -0.14 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 2rka s ALA 78 CO -0.04 0.35 -0.12 -0.51 0.00 0.00 0.00 175.76 175.44 2rka s LEU 79 N -0.06 2.74 0.43 0.00 1.43 -1.26 -0.74 118.68 121.22 2rka s LEU 79 Ca 0.01 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2rka s LEU 79 Cb -0.13 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.47 2rka s LEU 79 CO 0.03 0.14 0.59 0.42 0.23 0.00 0.00 176.35 177.76 2rka s THR 80 N 0.53 3.13 0.14 5.49 -4.23 -1.26 -4.74 115.64 114.70 2rka s THR 80 Ca -0.08 -0.93 -0.32 0.00 -1.18 0.00 0.00 61.69 59.19 2rka s THR 80 Cb -0.16 -3.07 -0.12 0.00 1.34 0.00 0.00 72.50 70.50 2rka s THR 80 CO 0.04 -0.03 1.78 -0.67 -0.54 0.00 0.00 174.62 175.19 2rka n ASP 81 N -1.91 3.88 0.13 3.99 -0.08 -1.26 -4.88 116.55 116.42 2rka n ASP 81 Ca 0.07 1.02 0.08 0.00 -1.51 0.00 0.00 54.79 54.44 2rka n ASP 81 Cb 0.59 -1.53 0.41 0.00 2.34 0.00 0.00 41.12 42.93 2rka n ASP 81 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2rka n PRO 82 N 5.01 0.10 0.07 -0.67 -0.04 -1.26 -0.19 135.00 138.01 2rka n PRO 82 Ca 0.18 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.35 2rka n PRO 82 Cb 0.35 -1.91 0.48 0.00 -0.04 0.00 0.00 33.50 32.38 2rka n PRO 82 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2rka n ARG 83 N -2.04 0.17 -3.63 0.54 1.74 -1.26 -4.44 116.66 107.74 2rka n ARG 83 Ca -0.01 0.14 -0.27 0.00 -0.77 0.00 0.00 57.85 56.93 2rka n ARG 83 Cb 0.11 -1.69 -0.10 0.00 -1.02 0.00 0.00 32.46 29.76 2rka n ARG 83 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2rka n ASP 84 N -1.98 2.11 0.00 0.55 2.03 0.74 -4.89 116.55 115.10 2rka n ASP 84 Ca 0.06 -3.02 0.00 0.00 0.52 0.00 0.00 54.79 52.35 2rka n ASP 84 Cb 0.40 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 40.11 2rka n ASP 84 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2rka n VAL 85 N 1.89 0.00 -3.53 5.18 0.24 -1.26 -4.64 118.33 116.21 2rka n VAL 85 Ca 0.24 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 62.08 2rka n VAL 85 Cb 0.41 1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.98 2rka n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2rka s ALA 86 N -0.06 -1.71 0.18 2.33 0.00 -1.26 -4.80 121.76 116.43 2rka s ALA 86 Ca 0.00 0.69 -0.33 0.00 0.00 0.00 0.00 51.96 52.32 2rka s ALA 86 Cb 0.00 0.60 -0.15 0.00 0.00 0.00 0.00 23.12 23.57 2rka s ALA 86 CO 0.00 -0.77 1.24 0.54 0.00 0.00 0.00 175.76 176.77 2rka n ARG 87 N -0.32 1.36 -3.71 0.00 1.74 -1.26 -4.88 116.66 109.59 2rka n ARG 87 Ca -0.11 0.49 -0.38 0.00 -0.77 0.00 0.00 57.85 57.08 2rka n ARG 87 Cb 0.62 -2.03 -0.11 0.00 -1.02 0.00 0.00 32.46 29.92 2rka n ARG 87 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2rka s ILE 88 N -0.08 3.70 0.22 0.55 1.01 -1.26 -4.98 121.20 120.36 2rka s ILE 88 Ca 0.73 -1.65 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 2rka s ILE 88 Cb -0.82 -3.34 0.14 0.00 0.01 0.00 0.00 42.46 38.46 2rka s ILE 88 CO 0.51 -0.52 1.77 -0.08 0.00 0.00 0.00 174.94 176.61 2rka h GLU 89 N 8.22 1.12 0.00 2.79 4.81 -1.94 -2.77 114.58 126.80 2rka h GLU 89 Ca -0.19 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 2rka h GLU 89 Cb 1.07 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.28 2rka h GLU 89 CO 0.71 0.94 0.00 -1.13 -0.73 0.00 0.00 179.01 178.80 2rka n SER 90 N -4.26 0.23 -0.35 1.04 3.41 -1.26 -1.72 113.62 110.71 2rka n SER 90 Ca 0.06 0.57 0.07 0.00 -0.26 0.00 0.00 58.87 59.31 2rka n SER 90 Cb 0.22 -0.61 0.15 0.00 -0.26 0.00 0.00 64.21 63.71 2rka n SER 90 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2rka n LYS 91 N -1.77 2.24 -4.24 4.33 5.02 -1.05 -4.97 118.16 117.72 2rka n LYS 91 Ca 0.02 -2.40 -0.34 0.00 -2.02 0.00 0.00 58.31 53.57 2rka n LYS 91 Cb 0.16 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.57 2rka n LYS 91 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2rka s THR 92 N -2.31 3.95 0.04 -0.18 2.01 -0.70 -0.88 115.64 117.57 2rka s THR 92 Ca 0.28 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 2rka s THR 92 Cb 0.23 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 2rka s THR 92 CO 0.06 0.46 -0.03 0.68 -0.69 0.00 0.00 174.62 175.10 2rka s VAL 93 N 0.64 0.17 -0.05 3.82 -7.23 -0.05 -4.45 120.40 113.25 2rka s VAL 93 Ca -0.01 -1.39 0.06 0.00 -1.81 0.00 0.00 61.98 58.83 2rka s VAL 93 Cb -0.14 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.85 2rka s VAL 93 CO 0.02 -0.76 -0.22 -0.63 -0.31 0.00 0.00 175.10 173.20 2rka s ILE 94 N -2.79 1.82 -0.26 -0.62 1.01 -0.09 -1.38 121.20 118.89 2rka s ILE 94 Ca -0.04 -0.94 -0.08 0.00 0.00 0.00 0.00 60.65 59.59 2rka s ILE 94 Cb -0.00 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2rka s ILE 94 CO -0.06 0.51 0.08 -0.63 0.00 0.00 0.00 174.94 174.85 2rka s ILE 95 N -0.16 4.34 0.08 2.92 1.09 0.72 -2.00 121.20 128.18 2rka s ILE 95 Ca -0.02 -0.23 -0.02 0.00 -1.10 0.00 0.00 60.65 59.28 2rka s ILE 95 Cb -0.12 -3.07 -0.03 0.00 -1.06 0.00 0.00 42.46 38.17 2rka s ILE 95 CO 0.02 0.28 0.03 0.42 -0.10 0.00 0.00 174.94 175.60 2rka s THR 96 N 1.61 0.18 0.17 2.92 -4.23 -1.25 -4.21 115.64 110.83 2rka s THR 96 Ca 0.06 -1.72 -0.14 0.00 -1.18 0.00 0.00 61.69 58.71 2rka s THR 96 Cb -0.15 -1.60 0.05 0.00 1.34 0.00 0.00 72.50 72.13 2rka s THR 96 CO 0.04 -0.82 1.81 -0.61 -0.54 0.00 0.00 174.62 174.50 2rka h GLN 97 N 3.01 0.56 -5.32 3.99 4.15 -1.98 -3.41 115.11 116.11 2rka h GLN 97 Ca -0.34 -0.03 -0.65 0.00 0.77 0.00 0.00 58.65 58.40 2rka h GLN 97 Cb 1.16 -0.13 -0.24 0.00 0.21 0.00 0.00 27.48 28.49 2rka h GLN 97 CO 0.63 0.37 -0.71 -1.21 -1.93 0.00 0.00 178.83 175.97 2rka s GLU 98 N -6.15 3.52 0.37 1.69 2.02 -1.26 -4.96 118.70 113.93 2rka s GLU 98 Ca -0.13 -0.60 0.09 0.00 0.02 0.00 0.00 54.97 54.35 2rka s GLU 98 Cb 0.12 -2.77 0.83 0.00 0.10 0.00 0.00 34.13 32.41 2rka s GLU 98 CO 0.73 0.24 1.91 0.37 0.02 0.00 0.00 175.26 178.53 2rka h GLN 99 N 6.67 0.65 0.00 1.61 4.15 -1.93 -2.27 115.11 123.98 2rka h GLN 99 Ca -0.29 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.08 2rka h GLN 99 Cb 1.20 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 2rka h GLN 99 CO 0.59 0.43 -0.07 -0.09 -1.93 0.00 0.00 178.83 177.76 2rka h ARG 100 N 0.67 0.00 0.00 1.69 2.43 -1.96 -0.05 114.38 117.16 2rka h ARG 100 Ca 0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.55 2rka h ARG 100 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2rka h ARG 100 CO -0.15 0.07 0.00 -0.44 -1.51 0.00 0.00 179.97 177.94 2rka h ASP 101 N 0.00 0.00 0.00 -3.80 3.32 -1.83 -3.33 116.42 110.78 2rka h ASP 101 Ca -0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.62 2rka h ASP 101 Cb 0.16 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.65 2rka h ASP 101 CO 0.01 0.00 -2.45 0.41 -1.72 0.00 0.00 179.24 175.49 2rka n THR 102 N -3.08 1.52 -3.98 0.35 -1.04 -0.12 -1.47 114.28 106.47 2rka n THR 102 Ca 0.01 -0.45 -0.11 0.00 -2.04 0.00 0.00 64.05 61.46 2rka n THR 102 Cb 0.31 -1.71 -0.12 0.00 -1.82 0.00 0.00 70.33 66.99 2rka n THR 102 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2rka s VAL 103 N -2.51 0.17 0.60 12.58 -7.23 -0.68 -2.02 120.40 121.30 2rka s VAL 103 Ca -0.36 -0.70 -0.20 0.00 -1.81 0.00 0.00 61.98 58.91 2rka s VAL 103 Cb 0.12 -0.27 -0.03 0.00 0.56 0.00 0.00 36.38 36.76 2rka s VAL 103 CO 0.55 -0.34 1.29 -2.84 -0.31 0.00 0.00 175.10 173.45 2rka s PRO 104 N -1.09 2.88 -0.37 4.82 0.02 -1.26 -3.99 135.00 136.01 2rka s PRO 104 Ca -0.11 2.05 -0.28 0.00 0.02 0.00 0.00 61.00 62.69 2rka s PRO 104 Cb -0.07 -2.02 0.02 0.00 0.02 0.00 0.00 34.50 32.45 2rka s PRO 104 CO -0.01 -1.34 1.03 0.42 -0.33 0.00 0.00 177.00 176.78 2rka s ILE 105 N -1.41 4.47 0.56 2.83 -1.09 -1.26 -4.91 121.20 120.38 2rka s ILE 105 Ca 0.77 1.40 -0.19 0.00 -2.23 0.00 0.00 60.65 60.40 2rka s ILE 105 Cb -0.36 -4.43 -0.05 0.00 -1.58 0.00 0.00 42.46 36.04 2rka s ILE 105 CO 0.40 -0.62 1.14 -2.84 -1.23 0.00 0.00 174.94 171.80 2rka s PRO 106 N 3.76 3.27 0.08 2.79 0.02 -1.26 -4.63 135.00 139.03 2rka s PRO 106 Ca 0.43 1.65 -0.17 0.00 0.02 0.00 0.00 61.00 62.92 2rka s PRO 106 Cb -0.11 -1.99 -0.08 0.00 0.02 0.00 0.00 34.50 32.34 2rka s PRO 106 CO 0.20 -0.92 1.47 -0.22 -0.33 0.00 0.00 177.00 177.20 2rka h LYS 107 N 1.11 0.53 0.00 5.54 3.64 -1.17 -3.42 116.57 122.80 2rka h LYS 107 Ca -0.50 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 58.67 2rka h LYS 107 Cb 1.27 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 2rka h LYS 107 CO 0.56 0.75 -0.56 -1.13 -2.27 0.00 0.00 179.45 176.80 2rka n SER 108 N -4.51 2.67 -1.48 4.20 3.41 -1.26 -5.09 113.62 111.56 2rka n SER 108 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2rka n SER 108 Cb 0.32 0.21 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2rka n SER 108 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2rka n GLY 109 N 2.09 4.03 3.81 5.00 0.00 -1.26 -5.12 105.19 113.73 2rka n GLY 109 Ca 0.00 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 2rka n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rka s GLN 110 N -1.04 4.29 0.28 1.61 0.74 -1.26 -4.60 119.66 119.69 2rka s GLN 110 Ca 0.00 0.89 -0.29 0.00 0.05 0.00 0.00 55.36 56.01 2rka s GLN 110 Cb 0.00 -3.01 -0.10 0.00 1.10 0.00 0.00 33.01 31.00 2rka s GLN 110 CO 0.00 0.47 1.39 0.45 -0.55 0.00 0.00 175.29 177.05 2rka s SER 111 N -1.48 6.68 0.00 6.67 0.15 -1.26 -4.90 113.70 119.57 2rka s SER 111 Ca 0.39 2.69 0.18 0.00 0.70 0.00 0.00 55.95 59.91 2rka s SER 111 Cb -0.18 -2.63 0.34 0.00 -1.71 0.00 0.00 66.02 61.83 2rka s SER 111 CO 0.22 -0.65 1.27 0.00 1.20 0.00 0.00 173.24 175.28 2rka n GLN 112 N 1.70 2.23 -0.19 5.44 6.02 -1.26 -4.67 117.38 126.65 2rka n GLN 112 Ca 0.04 -2.04 0.10 0.00 -0.01 0.00 0.00 57.00 55.09 2rka n GLN 112 Cb 0.41 -1.40 0.20 0.00 1.02 0.00 0.00 30.24 30.46 2rka n GLN 112 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2rka n LEU 113 N 1.12 3.25 0.00 1.08 4.77 -1.26 -4.84 117.00 121.12 2rka n LEU 113 Ca 0.15 -1.60 0.00 0.00 -0.03 0.00 0.00 56.01 54.54 2rka n LEU 113 Cb 0.50 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2rka n LEU 113 CO 0.12 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 2rka n GLY 114 N 1.24 1.48 2.88 -0.72 0.00 -1.26 -4.67 105.19 104.14 2rka n GLY 114 Ca 0.17 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 2rka n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rka s ARG 115 N -1.90 1.32 -0.02 1.61 0.52 -1.26 -4.87 118.95 114.35 2rka s ARG 115 Ca 0.00 -0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 55.00 2rka s ARG 115 Cb 0.00 -1.42 -0.04 0.00 0.52 0.00 0.00 34.95 34.01 2rka s ARG 115 CO 0.00 -0.25 0.14 -0.46 0.02 0.00 0.00 175.30 174.75 2rka s TRP 116 N 1.67 3.46 -0.01 -0.53 -0.00 -1.26 -0.92 118.94 121.34 2rka s TRP 116 Ca 0.03 0.32 0.01 0.00 -0.00 0.00 0.00 56.10 56.46 2rka s TRP 116 Cb -0.13 -1.81 0.01 0.00 -0.00 0.00 0.00 33.47 31.54 2rka s TRP 116 CO -0.07 0.62 -0.03 1.41 -0.00 0.00 0.00 176.95 178.89 2rka s MET 117 N -1.74 0.36 0.78 5.86 -2.45 -0.85 -4.90 119.30 116.37 2rka s MET 117 Ca 0.24 -0.08 -0.12 0.00 -1.25 0.00 0.00 55.69 54.48 2rka s MET 117 Cb -0.12 -0.41 0.06 0.00 1.25 0.00 0.00 34.83 35.62 2rka s MET 117 CO 0.15 0.01 1.12 -1.54 1.05 0.00 0.00 175.02 175.81 2rka s SER 118 N 0.30 4.22 0.21 1.11 1.04 -1.26 -3.88 113.70 115.44 2rka s SER 118 Ca -0.03 1.99 -0.09 0.00 0.48 0.00 0.00 55.95 58.30 2rka s SER 118 Cb -0.06 -2.54 0.28 0.00 0.10 0.00 0.00 66.02 63.79 2rka s SER 118 CO -0.01 -2.23 1.77 -0.33 0.98 0.00 0.00 173.24 173.42 2rka h GLU 119 N -1.00 0.50 -0.44 4.02 3.07 -1.93 -1.10 114.58 117.70 2rka h GLU 119 Ca -0.44 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.32 2rka h GLU 119 Cb 1.25 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 29.03 2rka h GLU 119 CO 0.49 0.33 0.03 1.05 -1.40 0.00 0.00 179.01 179.51 2rka h GLU 120 N 0.51 0.76 -0.72 2.33 9.09 -1.98 -1.14 114.58 123.42 2rka h GLU 120 Ca 0.31 -0.23 -0.07 0.00 0.05 0.00 0.00 59.36 59.43 2rka h GLU 120 Cb 0.33 -0.08 -0.03 0.00 -1.65 0.00 0.00 28.75 27.32 2rka h GLU 120 CO -0.26 0.81 0.20 -0.44 0.05 0.00 0.00 179.01 179.36 2rka h ASP 121 N 0.60 1.07 -0.34 3.06 3.32 -1.89 -2.87 116.42 119.37 2rka h ASP 121 Ca 0.13 -0.22 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 2rka h ASP 121 Cb 0.45 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2rka h ASP 121 CO 0.02 1.01 -0.16 0.15 -1.72 0.00 0.00 179.24 178.55 2rka h PHE 122 N 1.08 0.89 -0.27 4.55 3.57 -0.99 -2.68 116.94 123.09 2rka h PHE 122 Ca 0.23 -0.18 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 2rka h PHE 122 Cb 0.35 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 2rka h PHE 122 CO 0.03 0.90 -0.08 1.49 -2.23 0.00 0.00 178.31 178.41 2rka h GLU 123 N 0.71 0.43 -0.21 1.11 4.57 -1.06 0.27 114.58 120.40 2rka h GLU 123 Ca 0.11 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2rka h GLU 123 Cb 0.66 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 2rka h GLU 123 CO 0.05 0.53 -0.01 0.87 -1.18 0.00 0.00 179.01 179.26 2rka h LYS 124 N 0.41 0.38 -0.40 1.92 1.57 -1.40 -1.25 116.57 117.80 2rka h LYS 124 Ca 0.08 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2rka h LYS 124 Cb 0.40 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2rka h LYS 124 CO 0.02 0.58 0.24 0.00 -0.57 0.00 0.00 179.45 179.73 2rka h ALA 125 N 0.78 0.51 -0.21 3.86 0.00 -1.09 -1.56 119.26 121.54 2rka h ALA 125 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2rka h ALA 125 Cb 0.42 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2rka h ALA 125 CO 0.01 -0.09 -0.02 0.35 0.00 0.00 0.00 179.25 179.51 2rka h PHE 126 N 0.49 -0.04 0.00 0.00 3.57 -0.46 -2.44 116.94 118.05 2rka h PHE 126 Ca 0.16 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 2rka h PHE 126 Cb -0.00 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 2rka h PHE 126 CO -0.07 -0.05 -0.14 -0.91 -2.23 0.00 0.00 178.31 174.92 2rka h ASN 127 N 0.04 0.00 0.19 0.41 2.35 -0.99 -1.39 115.58 116.20 2rka h ASN 127 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2rka h ASN 127 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2rka h ASN 127 CO -0.18 0.14 -0.01 0.00 -1.65 0.00 0.00 177.43 175.72 2rka n ALA 128 N -2.40 2.63 0.07 -0.83 0.00 -0.61 -4.52 120.51 114.85 2rka n ALA 128 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2rka n ALA 128 Cb 0.22 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2rka n ALA 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rka n ARG 129 N -1.00 0.00 0.10 0.00 1.74 -0.75 -4.97 116.66 111.78 2rka n ARG 129 Ca 0.20 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 57.09 2rka n ARG 129 Cb 0.18 -0.38 -0.12 0.00 -1.02 0.00 0.00 32.46 31.12 2rka n ARG 129 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 2rka h PHE 130 N 0.00 0.81 -1.95 -1.55 -1.00 -1.52 -3.41 116.94 108.32 2rka h PHE 130 Ca 0.00 -0.52 -0.64 0.00 2.81 0.00 0.00 57.97 59.62 2rka h PHE 130 Cb 0.02 -0.06 0.03 0.00 3.61 0.00 0.00 35.95 39.55 2rka h PHE 130 CO 0.00 1.37 0.93 -2.30 -1.61 0.00 0.00 178.31 176.71 2rka n PRO 131 N -3.71 1.86 -0.96 1.51 -0.02 -1.26 -0.98 135.00 131.44 2rka n PRO 131 Ca -0.11 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2rka n PRO 131 Cb 0.98 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 2rka n PRO 131 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rka n GLY 132 N 3.96 0.31 0.21 -1.23 0.00 -0.08 -4.92 105.19 103.45 2rka n GLY 132 Ca 0.22 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.39 2rka n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rka n MET 134 N -2.63 3.08 -1.63 0.00 2.81 0.23 -2.85 117.12 116.13 2rka n MET 134 Ca 0.01 -2.48 -0.49 0.00 -1.81 0.00 0.00 57.70 52.93 2rka n MET 134 Cb 0.23 -1.58 -0.05 0.00 -0.71 0.00 0.00 33.22 31.11 2rka n MET 134 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2rka n LYS 135 N 0.47 1.60 -0.91 0.03 3.00 -1.08 -0.95 118.16 120.31 2rka n LYS 135 Ca 0.18 0.58 0.00 0.00 -0.00 0.00 0.00 58.31 59.07 2rka n LYS 135 Cb 0.66 -2.26 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2rka n LYS 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2rka n GLY 136 N 2.79 0.69 3.59 3.14 0.00 -1.26 -0.66 105.19 113.48 2rka n GLY 136 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 2rka n GLY 136 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rka s ARG 137 N -0.28 1.96 -0.05 1.61 0.52 -0.13 -4.80 118.95 117.79 2rka s ARG 137 Ca 0.00 -1.82 -0.24 0.00 -0.52 0.00 0.00 55.73 53.15 2rka s ARG 137 Cb 0.00 -1.84 -0.04 0.00 0.52 0.00 0.00 34.95 33.59 2rka s ARG 137 CO 0.00 0.15 0.73 0.99 0.02 0.00 0.00 175.30 177.19 2rka s THR 138 N -2.55 5.00 -0.36 0.02 2.01 -1.26 -0.26 115.64 118.24 2rka s THR 138 Ca 0.34 1.52 -0.22 0.00 0.31 0.00 0.00 61.69 63.63 2rka s THR 138 Cb 0.01 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.45 2rka s THR 138 CO 0.18 0.26 0.72 -0.32 -0.69 0.00 0.00 174.62 174.77 2rka s MET 139 N 0.71 3.73 0.07 4.92 1.75 0.70 -4.26 119.30 126.93 2rka s MET 139 Ca 0.39 0.22 -0.22 0.00 -1.25 0.00 0.00 55.69 54.82 2rka s MET 139 Cb -0.18 -3.81 -0.06 0.00 2.84 0.00 0.00 34.83 33.62 2rka s MET 139 CO 0.20 -0.80 0.67 0.71 -0.65 0.00 0.00 175.02 175.15 2rka s TYR 140 N 2.93 3.79 -0.33 4.11 1.51 0.11 -0.95 117.35 128.52 2rka s TYR 140 Ca 0.28 1.39 -0.06 0.00 -1.01 0.00 0.00 57.07 57.68 2rka s TYR 140 Cb -0.14 -2.66 0.04 0.00 -0.11 0.00 0.00 41.96 39.09 2rka s TYR 140 CO 0.16 0.45 0.09 0.08 -1.11 0.00 0.00 175.55 175.21 2rka s VAL 141 N -0.69 3.71 -0.45 0.71 1.01 0.10 -1.89 120.40 122.90 2rka s VAL 141 Ca 0.33 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2rka s VAL 141 Cb -0.20 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.21 2rka s VAL 141 CO 0.21 -0.12 0.31 -0.63 0.00 0.00 0.00 175.10 174.87 2rka s ILE 142 N 1.40 4.21 -0.23 2.22 1.01 0.26 -0.74 121.20 129.33 2rka s ILE 142 Ca -0.01 -1.62 -0.27 0.00 0.00 0.00 0.00 60.65 58.75 2rka s ILE 142 Cb -0.19 -3.69 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2rka s ILE 142 CO 0.02 -0.66 0.93 -2.16 0.00 0.00 0.00 174.94 173.08 2rka s PRO 143 N 1.39 4.23 0.06 2.79 0.05 -1.26 -0.76 135.00 141.49 2rka s PRO 143 Ca 0.05 1.15 0.04 0.00 0.05 0.00 0.00 61.00 62.28 2rka s PRO 143 Cb -0.25 -3.64 -0.03 0.00 0.05 0.00 0.00 34.50 30.64 2rka s PRO 143 CO 0.00 -0.56 -0.12 -0.59 0.05 0.00 0.00 177.00 175.78 2rka s PHE 144 N 2.98 1.01 -0.15 0.56 -0.71 0.12 -1.31 117.98 120.48 2rka s PHE 144 Ca 0.39 -0.47 -0.03 0.00 -1.04 0.00 0.00 56.93 55.78 2rka s PHE 144 Cb -0.15 -0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 41.05 2rka s PHE 144 CO 0.07 0.01 -0.05 0.45 -1.34 0.00 0.00 175.22 174.35 2rka s SER 145 N -1.67 4.67 -0.39 1.98 0.15 0.18 -0.87 113.70 117.75 2rka s SER 145 Ca -0.05 -0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.26 2rka s SER 145 Cb -0.10 -1.74 0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2rka s SER 145 CO 0.02 0.17 0.51 -0.04 1.20 0.00 0.00 173.24 175.10 2rka s MET 146 N 0.32 3.40 0.00 5.44 -1.94 0.22 -2.58 119.30 124.17 2rka s MET 146 Ca -0.05 -0.39 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 2rka s MET 146 Cb -0.14 -3.88 0.00 0.00 2.01 0.00 0.00 34.83 32.81 2rka s MET 146 CO 0.03 -0.78 0.00 0.41 -0.01 0.00 0.00 175.02 174.68 2rka n GLY 147 N 4.95 2.25 3.61 -0.03 0.00 0.10 -1.43 105.19 114.63 2rka n GLY 147 Ca -0.05 -1.93 -0.48 0.00 0.00 0.00 0.00 46.02 43.56 2rka n GLY 147 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2rka n PRO 148 N 1.57 1.46 -1.68 1.61 -0.02 -1.26 -4.81 135.00 131.86 2rka n PRO 148 Ca 0.00 0.52 -0.49 0.00 -2.02 0.00 0.00 63.50 61.52 2rka n PRO 148 Cb 0.00 -2.09 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 2rka n PRO 148 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2rka n LEU 149 N 2.18 3.25 -0.10 2.45 7.94 -1.26 -1.09 117.00 130.36 2rka n LEU 149 Ca 0.14 1.01 -0.01 0.00 -1.11 0.00 0.00 56.01 56.04 2rka n LEU 149 Cb 0.26 -1.36 -0.01 0.00 0.53 0.00 0.00 43.42 42.84 2rka n LEU 149 CO 0.62 -0.16 -0.01 0.61 -1.11 0.00 0.00 177.39 177.33 2rka n GLY 150 N 4.11 0.51 3.75 -3.96 0.00 -1.26 -5.03 105.19 103.31 2rka n GLY 150 Ca 0.21 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2rka n GLY 150 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rka s SER 151 N -2.42 7.24 0.65 1.61 0.15 -0.25 -4.93 113.70 115.75 2rka s SER 151 Ca 0.00 2.22 0.37 0.00 0.70 0.00 0.00 55.95 59.24 2rka s SER 151 Cb 0.00 -2.62 2.06 0.00 -1.71 0.00 0.00 66.02 63.76 2rka s SER 151 CO 0.00 -0.20 2.20 -0.65 1.20 0.00 0.00 173.24 175.80 2rka h PRO 152 N 4.38 0.00 0.00 5.44 0.11 -1.90 -1.02 132.00 139.00 2rka h PRO 152 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2rka h PRO 152 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2rka h PRO 152 CO 0.69 0.00 -0.76 1.28 -0.21 0.00 0.00 178.00 179.01 2rka n LEU 153 N -3.18 0.74 -4.78 2.35 7.99 -1.26 -4.97 117.00 113.89 2rka n LEU 153 Ca -0.02 -0.24 -0.34 0.00 -0.01 0.00 0.00 56.01 55.40 2rka n LEU 153 Cb 0.20 -0.12 0.03 0.00 -0.11 0.00 0.00 43.42 43.41 2rka n LEU 153 CO 0.20 0.18 0.75 0.00 -1.51 0.00 0.00 177.39 177.01 2rka s ALA 154 N -3.01 2.59 0.00 -1.18 0.00 -0.39 -4.95 121.76 114.82 2rka s ALA 154 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2rka s ALA 154 Cb 0.17 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.96 2rka s ALA 154 CO 0.79 -1.03 -0.02 0.15 0.00 0.00 0.00 175.76 175.65 2rka s LYS 155 N -3.79 0.13 -0.09 0.00 1.02 -0.52 -4.93 119.74 111.56 2rka s LYS 155 Ca 0.69 -0.14 -0.06 0.00 0.02 0.00 0.00 55.97 56.47 2rka s LYS 155 Cb -0.21 -0.06 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2rka s LYS 155 CO 0.35 0.01 0.16 0.42 -0.92 0.00 0.00 175.35 175.38 2rka s ILE 156 N -0.26 5.47 0.16 2.17 1.01 -1.26 -0.61 121.20 127.87 2rka s ILE 156 Ca -0.02 0.15 0.05 0.00 0.00 0.00 0.00 60.65 60.83 2rka s ILE 156 Cb -0.02 -3.45 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2rka s ILE 156 CO -0.00 0.55 -0.10 -0.83 0.00 0.00 0.00 174.94 174.56 2rka s GLY 157 N -1.25 1.12 -0.19 6.18 0.00 -0.05 -1.68 107.32 111.46 2rka s GLY 157 Ca 0.18 -1.52 0.01 0.00 0.00 0.00 0.00 44.72 43.40 2rka s GLY 157 CO 0.08 -1.61 -0.14 -0.42 0.00 0.00 0.00 173.10 171.01 2rka s ILE 158 N -3.31 1.78 -0.24 0.90 -1.09 -0.58 -0.71 121.20 117.95 2rka s ILE 158 Ca 0.18 -0.95 -0.08 0.00 -2.23 0.00 0.00 60.65 57.57 2rka s ILE 158 Cb 0.02 -1.74 -0.04 0.00 -1.58 0.00 0.00 42.46 39.13 2rka s ILE 158 CO 0.01 0.33 0.10 -0.70 -1.23 0.00 0.00 174.94 173.45 2rka s GLU 159 N 1.37 3.79 -0.12 2.79 2.12 0.06 -0.72 118.70 127.98 2rka s GLU 159 Ca 0.01 -0.41 -0.17 0.00 0.36 0.00 0.00 54.97 54.75 2rka s GLU 159 Cb -0.15 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 2rka s GLU 159 CO -0.10 -0.09 0.45 -0.51 -0.54 0.00 0.00 175.26 174.47 2rka s LEU 160 N 1.40 4.27 0.03 2.70 1.43 0.23 -0.57 118.68 128.16 2rka s LEU 160 Ca 0.06 0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 53.84 2rka s LEU 160 Cb -0.15 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2rka s LEU 160 CO 0.05 0.02 0.17 0.28 0.23 0.00 0.00 176.35 177.10 2rka s THR 161 N 0.56 0.10 -1.29 5.49 -1.32 -0.79 0.23 115.64 118.63 2rka s THR 161 Ca 0.24 -0.85 0.18 0.00 -1.21 0.00 0.00 61.69 60.06 2rka s THR 161 Cb -0.15 -0.77 0.59 0.00 -1.51 0.00 0.00 72.50 70.66 2rka s THR 161 CO 0.09 -0.47 1.50 -0.90 -2.21 0.00 0.00 174.62 172.64 2rka n ASP 162 N 0.92 4.04 -4.25 8.08 5.68 -1.24 0.04 116.55 129.82 2rka n ASP 162 Ca -0.20 -2.24 -0.36 0.00 -0.50 0.00 0.00 54.79 51.48 2rka n ASP 162 Cb 0.58 -0.47 -0.13 0.00 -1.14 0.00 0.00 41.12 39.95 2rka n ASP 162 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2rka s SER 163 N -1.04 4.96 0.34 -1.12 0.15 -1.26 -4.77 113.70 110.96 2rka s SER 163 Ca 0.44 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 56.13 2rka s SER 163 Cb 0.26 -1.79 0.73 0.00 -1.71 0.00 0.00 66.02 63.51 2rka s SER 163 CO 0.24 -0.24 1.89 -0.65 1.20 0.00 0.00 173.24 175.69 2rka h PRO 164 N 8.12 0.77 -0.92 5.44 0.11 -1.93 -2.04 132.00 141.54 2rka h PRO 164 Ca -0.26 -0.05 0.12 0.00 0.11 0.00 0.00 66.00 65.92 2rka h PRO 164 Cb 1.09 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 31.95 2rka h PRO 164 CO 0.58 0.51 0.55 -0.92 -0.21 0.00 0.00 178.00 178.51 2rka h TYR 165 N 0.79 0.99 -0.42 0.65 5.03 -1.96 -0.48 116.97 121.57 2rka h TYR 165 Ca 0.41 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.67 2rka h TYR 165 Cb 0.51 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.47 2rka h TYR 165 CO -0.00 0.37 -0.07 0.28 -1.32 0.00 0.00 178.16 177.42 2rka h VAL 166 N 0.87 1.27 0.11 1.81 2.07 -1.71 -1.43 116.25 119.24 2rka h VAL 166 Ca 0.46 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2rka h VAL 166 Cb 0.48 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2rka h VAL 166 CO -0.28 0.39 -0.09 0.58 0.02 0.00 0.00 177.57 178.19 2rka h VAL 167 N 0.63 0.79 -0.38 2.57 2.07 -0.99 0.20 116.25 121.13 2rka h VAL 167 Ca 0.11 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.66 2rka h VAL 167 Cb 0.60 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 2rka h VAL 167 CO 0.04 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.83 2rka h ALA 168 N 0.67 0.48 -0.21 1.67 0.00 -1.11 -1.05 119.26 119.71 2rka h ALA 168 Ca -0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2rka h ALA 168 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2rka h ALA 168 CO -0.01 -0.15 -0.41 0.77 0.00 0.00 0.00 179.25 179.44 2rka h SER 169 N 0.41 0.51 0.32 0.00 0.02 -1.09 -2.70 113.55 111.03 2rka h SER 169 Ca 0.16 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 2rka h SER 169 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2rka h SER 169 CO -0.10 0.87 -0.35 0.24 -1.14 0.00 0.00 176.83 176.35 2rka h MET 170 N 0.40 0.04 -0.47 3.45 2.86 -0.36 -1.29 114.93 119.56 2rka h MET 170 Ca 0.03 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2rka h MET 170 Cb 0.89 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.53 2rka h MET 170 CO 0.08 0.39 0.13 -0.09 1.06 0.00 0.00 176.91 178.47 2rka h ARG 171 N 0.04 0.70 0.07 1.72 2.43 -0.86 -1.72 114.38 116.76 2rka h ARG 171 Ca 0.00 -0.12 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 2rka h ARG 171 Cb 0.63 -0.12 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2rka h ARG 171 CO 0.05 0.62 -0.48 0.82 -1.51 0.00 0.00 179.97 179.47 2rka h ILE 172 N 0.68 1.59 0.00 1.20 2.04 -1.42 -3.38 117.51 118.23 2rka h ILE 172 Ca 0.16 -2.35 0.00 0.00 1.00 0.00 0.00 64.86 63.67 2rka h ILE 172 Cb 0.23 3.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.44 2rka h ILE 172 CO -0.01 0.65 -0.19 0.23 0.00 0.00 0.00 178.15 178.83 2rka n MET 173 N -4.33 0.19 -4.29 2.37 2.81 -0.51 -3.15 117.12 110.21 2rka n MET 173 Ca -0.12 0.12 -0.17 0.00 -1.81 0.00 0.00 57.70 55.72 2rka n MET 173 Cb 0.67 -1.69 -0.09 0.00 -0.71 0.00 0.00 33.22 31.40 2rka n MET 173 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2rka s THR 174 N -3.09 0.19 -0.27 2.03 -4.23 -0.65 -1.02 115.64 108.61 2rka s THR 174 Ca 0.10 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.44 2rka s THR 174 Cb 0.14 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2rka s THR 174 CO 0.62 0.00 0.49 -0.13 -0.54 0.00 0.00 174.62 175.06 2rka s ARG 175 N -3.83 4.04 0.04 3.99 3.00 -1.06 -4.63 118.95 120.50 2rka s ARG 175 Ca 0.37 0.25 0.02 0.00 0.00 0.00 0.00 55.73 56.37 2rka s ARG 175 Cb 0.05 -3.66 -0.02 0.00 0.00 0.00 0.00 34.95 31.32 2rka s ARG 175 CO 0.18 -0.35 -0.07 0.00 0.00 0.00 0.00 175.30 175.07 2rka s MET 176 N 2.27 0.50 0.00 3.54 0.23 -1.26 0.48 119.30 125.06 2rka s MET 176 Ca 0.20 -0.77 0.00 0.00 -1.03 0.00 0.00 55.69 54.09 2rka s MET 176 Cb -0.16 -0.19 0.00 0.00 -1.53 0.00 0.00 34.83 32.95 2rka s MET 176 CO 0.09 0.02 0.00 0.41 -2.03 0.00 0.00 175.02 173.52 2rka n GLY 177 N 1.38 0.73 0.34 3.16 0.00 -0.42 -4.27 105.19 106.11 2rka n GLY 177 Ca -0.22 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.63 2rka n GLY 177 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2rka h THR 178 N 0.00 1.26 0.00 2.61 2.02 -1.57 -2.27 112.91 114.96 2rka h THR 178 Ca 0.00 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 2rka h THR 178 Cb 0.00 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2rka h THR 178 CO 0.00 0.34 -0.02 0.77 0.37 0.00 0.00 175.52 176.98 2rka h SER 179 N 1.15 0.00 -0.21 4.18 4.64 -1.90 -1.87 113.55 119.54 2rka h SER 179 Ca 0.26 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.52 2rka h SER 179 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2rka h SER 179 CO -0.02 0.02 -0.13 0.58 -0.87 0.00 0.00 176.83 176.40 2rka h VAL 180 N 0.00 1.31 -0.93 0.95 2.07 -1.72 -1.21 116.25 116.73 2rka h VAL 180 Ca -0.00 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.32 2rka h VAL 180 Cb 0.03 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 2rka h VAL 180 CO 0.00 0.37 0.61 -0.07 0.02 0.00 0.00 177.57 178.51 2rka h LEU 181 N 0.15 1.01 -0.43 2.57 3.38 -1.34 0.26 115.31 120.92 2rka h LEU 181 Ca 0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 2rka h LEU 181 Cb 0.64 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2rka h LEU 181 CO 0.04 0.70 -0.46 -0.33 0.09 0.00 0.00 178.44 178.48 2rka h GLU 182 N 1.18 0.81 -0.58 1.13 5.08 -1.31 -2.39 114.58 118.50 2rka h GLU 182 Ca 0.36 -0.46 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2rka h GLU 182 Cb -0.01 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2rka h GLU 182 CO -0.11 1.09 -0.04 0.00 -1.00 0.00 0.00 179.01 178.96 2rka h ALA 183 N 0.83 0.84 -0.35 3.43 0.00 -0.75 -3.28 119.26 119.97 2rka h ALA 183 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2rka h ALA 183 Cb 1.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2rka h ALA 183 CO 0.10 0.67 0.21 1.25 0.00 0.00 0.00 179.25 181.47 2rka h LEU 184 N 0.94 0.43 0.00 0.00 5.85 -0.25 -3.48 115.31 118.80 2rka h LEU 184 Ca 0.16 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2rka h LEU 184 Cb 0.59 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2rka h LEU 184 CO 0.04 0.37 0.00 0.61 -0.34 0.00 0.00 178.44 179.11 2rka n GLY 185 N -1.05 3.05 0.91 3.75 0.00 -0.92 -1.52 105.19 109.40 2rka n GLY 185 Ca -0.01 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 45.87 2rka n GLY 185 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rka n ASP 186 N 2.32 2.62 -4.01 1.61 8.00 -1.26 -4.73 116.55 121.11 2rka n ASP 186 Ca 0.00 -2.07 -0.30 0.00 0.71 0.00 0.00 54.79 53.13 2rka n ASP 186 Cb 0.00 -0.34 0.22 0.00 -0.02 0.00 0.00 41.12 40.98 2rka n ASP 186 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2rka s GLY 187 N -0.93 1.59 0.41 0.44 0.00 -0.58 -5.00 107.32 103.26 2rka s GLY 187 Ca 0.31 -0.86 -0.20 0.00 0.00 0.00 0.00 44.72 43.96 2rka s GLY 187 CO 0.19 -0.04 0.92 -0.54 0.00 0.00 0.00 173.10 173.63 2rka s GLU 188 N -5.37 4.21 0.02 2.90 2.02 -1.26 -5.03 118.70 116.18 2rka s GLU 188 Ca 0.70 1.06 -0.05 0.00 0.02 0.00 0.00 54.97 56.70 2rka s GLU 188 Cb -0.11 -2.23 -0.01 0.00 0.10 0.00 0.00 34.13 31.89 2rka s GLU 188 CO 0.56 0.00 0.09 -0.59 0.02 0.00 0.00 175.26 175.34 2rka s PHE 189 N -2.14 0.14 -0.00 1.61 -0.71 -1.26 -4.73 117.98 110.89 2rka s PHE 189 Ca 0.61 -0.34 -0.30 0.00 -1.04 0.00 0.00 56.93 55.85 2rka s PHE 189 Cb -0.09 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.56 2rka s PHE 189 CO 0.14 -0.29 1.17 0.42 -1.34 0.00 0.00 175.22 175.32 2rka s ILE 190 N -1.82 4.24 -0.39 -4.49 -1.09 -0.67 -4.92 121.20 112.06 2rka s ILE 190 Ca -0.12 1.59 -0.23 0.00 -2.23 0.00 0.00 60.65 59.66 2rka s ILE 190 Cb -0.06 -4.02 0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2rka s ILE 190 CO -0.01 0.06 0.78 -0.54 -1.23 0.00 0.00 174.94 174.00 2rka s LYS 191 N 1.61 3.63 -0.18 2.79 1.02 -0.20 -1.53 119.74 126.87 2rka s LYS 191 Ca 0.56 0.15 -0.01 0.00 0.02 0.00 0.00 55.97 56.70 2rka s LYS 191 Cb -0.26 -3.86 0.00 0.00 -0.52 0.00 0.00 37.83 33.20 2rka s LYS 191 CO 0.26 -0.94 -0.13 0.00 -0.92 0.00 0.00 175.35 173.61 2rka s LEU 193 N 1.14 1.93 -0.01 0.00 2.96 0.25 -0.60 118.68 124.34 2rka s LEU 193 Ca 0.01 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 2rka s LEU 193 Cb -0.14 -1.27 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 2rka s LEU 193 CO -0.05 0.06 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.66 2rka s HIS 194 N 0.85 0.95 -0.06 5.38 5.65 0.14 -0.37 115.29 127.82 2rka s HIS 194 Ca -0.08 -0.19 -0.06 0.00 0.25 0.00 0.00 55.06 54.98 2rka s HIS 194 Cb -0.15 -0.62 0.02 0.00 -1.18 0.00 0.00 32.58 30.64 2rka s HIS 194 CO -0.01 -0.03 0.17 0.45 -0.65 0.00 0.00 174.74 174.67 2rka s SER 195 N -0.16 -0.18 0.36 9.88 0.15 -0.86 -3.63 113.70 119.26 2rka s SER 195 Ca 0.03 0.34 0.27 0.00 0.70 0.00 0.00 55.95 57.29 2rka s SER 195 Cb -0.05 0.35 1.10 0.00 -1.71 0.00 0.00 66.02 65.71 2rka s SER 195 CO -0.00 -0.06 1.81 -0.37 1.20 0.00 0.00 173.24 175.81 2rka h VAL 196 N 4.87 0.00 -0.80 4.45 -1.51 -1.88 0.61 116.25 121.99 2rka h VAL 196 Ca -0.25 -0.34 -0.07 0.00 -1.23 0.00 0.00 66.70 64.81 2rka h VAL 196 Cb 1.20 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2rka h VAL 196 CO 0.40 0.00 -0.09 0.61 -1.23 0.00 0.00 177.57 177.26 2rka n GLY 197 N 0.07 0.34 2.32 5.19 0.00 -1.26 -2.48 105.19 109.37 2rka n GLY 197 Ca 0.02 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 2rka n GLY 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rka s PRO 199 N -1.89 2.90 0.17 0.00 0.04 -1.13 -4.87 135.00 130.22 2rka s PRO 199 Ca 0.38 2.12 -0.17 0.00 0.04 0.00 0.00 61.00 63.38 2rka s PRO 199 Cb 0.18 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 2rka s PRO 199 CO -0.07 -1.35 0.62 -0.51 0.04 0.00 0.00 177.00 175.73 2rka s LEU 200 N -3.90 4.35 0.46 -3.56 1.43 0.17 -3.61 118.68 114.01 2rka s LEU 200 Ca 0.76 1.22 -0.23 0.00 -1.03 0.00 0.00 54.13 54.86 2rka s LEU 200 Cb -0.38 -3.38 -0.07 0.00 0.03 0.00 0.00 46.19 42.38 2rka s LEU 200 CO 0.43 0.08 1.15 -2.84 0.23 0.00 0.00 176.35 175.40 2rka s PRO 201 N -1.93 3.76 0.17 1.29 0.02 -1.26 -4.45 135.00 132.60 2rka s PRO 201 Ca 0.39 1.74 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 2rka s PRO 201 Cb -0.16 -2.38 -0.11 0.00 0.02 0.00 0.00 34.50 31.87 2rka s PRO 201 CO 0.20 -0.54 1.67 -0.51 -0.33 0.00 0.00 177.00 177.49 2rka s LEU 202 N -3.06 4.37 0.17 -5.54 1.43 -1.24 -4.89 118.68 109.93 2rka s LEU 202 Ca 0.64 2.73 0.23 0.00 -1.03 0.00 0.00 54.13 56.70 2rka s LEU 202 Cb -0.27 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.52 2rka s LEU 202 CO 0.33 -0.91 1.18 0.11 0.23 0.00 0.00 176.35 177.30 2rka h LYS 203 N 7.08 0.00 -4.79 1.70 1.57 -1.95 -3.46 116.57 116.71 2rka h LYS 203 Ca -0.43 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.02 2rka h LYS 203 Cb 1.20 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.29 2rka h LYS 203 CO 0.94 0.00 -0.75 0.15 -0.57 0.00 0.00 179.45 179.22 2rka s LYS 204 N -3.27 0.62 0.40 3.15 1.02 -1.26 -5.13 119.74 115.27 2rka s LYS 204 Ca 0.03 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 54.99 2rka s LYS 204 Cb 0.11 -0.48 -0.10 0.00 -0.52 0.00 0.00 37.83 36.84 2rka s LYS 204 CO 0.76 0.10 1.43 -0.35 -0.92 0.00 0.00 175.35 176.37 2rka n PRO 205 N 1.58 2.43 -2.70 -1.68 -0.04 -1.26 -4.97 135.00 128.36 2rka n PRO 205 Ca -0.21 0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 63.69 2rka n PRO 205 Cb 0.55 -2.59 -0.03 0.00 -0.04 0.00 0.00 33.50 31.39 2rka n PRO 205 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2rka s LEU 206 N -2.05 4.37 -0.23 1.53 2.96 -1.26 -5.04 118.68 118.97 2rka s LEU 206 Ca 0.56 1.67 -0.06 0.00 -0.22 0.00 0.00 54.13 56.08 2rka s LEU 206 Cb -0.48 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.61 2rka s LEU 206 CO 0.62 -0.26 0.02 -0.69 -1.32 0.00 0.00 176.35 174.71 2rka s VAL 207 N 1.00 3.93 -1.45 1.68 1.01 -1.26 -4.58 120.40 120.73 2rka s VAL 207 Ca 0.52 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 62.11 2rka s VAL 207 Cb -0.21 -2.80 0.04 0.00 0.00 0.00 0.00 36.38 33.41 2rka s VAL 207 CO 0.28 0.39 0.70 0.59 0.00 0.00 0.00 175.10 177.06 2rka n ASN 208 N 4.67 -5.12 -3.24 3.32 3.02 -1.26 -1.44 115.26 115.21 2rka n ASN 208 Ca -0.17 -0.44 -0.21 0.00 -0.03 0.00 0.00 54.58 53.72 2rka n ASN 208 Cb 0.51 -4.14 -0.00 0.00 -0.61 0.00 0.00 39.78 35.54 2rka n ASN 208 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2rka n ASN 209 N -2.56 -3.67 -3.96 6.41 3.02 -1.26 -4.74 115.26 108.49 2rka n ASN 209 Ca -0.04 -0.30 -0.31 0.00 -0.03 0.00 0.00 54.58 53.90 2rka n ASN 209 Cb 0.57 -3.06 -0.15 0.00 -0.61 0.00 0.00 39.78 36.53 2rka n ASN 209 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 2rka s TRP 210 N -2.88 3.29 0.05 3.10 -0.11 -0.52 -4.71 118.94 117.16 2rka s TRP 210 Ca 0.35 -2.68 -0.31 0.00 1.22 0.00 0.00 56.10 54.68 2rka s TRP 210 Cb -0.18 -2.59 -0.06 0.00 -1.50 0.00 0.00 33.47 29.14 2rka s TRP 210 CO 0.42 -0.93 1.33 0.00 -4.62 0.00 0.00 176.95 173.16 2rka s ALA 211 N 1.07 3.53 0.09 5.86 0.00 -1.26 -4.36 121.76 126.69 2rka s ALA 211 Ca 0.09 0.93 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 2rka s ALA 211 Cb -0.19 -3.53 0.08 0.00 0.00 0.00 0.00 23.12 19.48 2rka s ALA 211 CO -0.11 -0.68 0.80 0.00 0.00 0.00 0.00 175.76 175.78 2rka n ASN 213 N -0.34 0.39 -0.34 0.00 4.05 0.15 -4.81 115.26 114.37 2rka n ASN 213 Ca -0.10 -2.60 0.01 0.00 0.45 0.00 0.00 54.58 52.34 2rka n ASN 213 Cb 0.62 -0.60 0.15 0.00 1.23 0.00 0.00 39.78 41.18 2rka n ASN 213 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 2rka h PRO 214 N 5.37 1.03 -0.18 1.20 0.11 -1.92 -1.50 132.00 136.10 2rka h PRO 214 Ca 0.22 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 2rka h PRO 214 Cb 0.87 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 2rka h PRO 214 CO 0.46 0.68 -0.07 0.93 -0.21 0.00 0.00 178.00 179.79 2rka h GLU 215 N 1.06 0.28 -0.44 1.05 3.07 -1.95 -2.75 114.58 114.91 2rka h GLU 215 Ca 0.40 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 2rka h GLU 215 Cb 0.16 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 2rka h GLU 215 CO -0.17 0.37 0.00 1.28 -1.40 0.00 0.00 179.01 179.09 2rka n LEU 216 N -4.31 3.37 -4.67 1.33 4.77 -0.86 -5.01 117.00 111.62 2rka n LEU 216 Ca -0.00 -1.67 -0.45 0.00 -0.03 0.00 0.00 56.01 53.85 2rka n LEU 216 Cb 0.24 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2rka n LEU 216 CO 0.38 0.77 1.15 0.41 -1.33 0.00 0.00 177.39 178.77 2rka n THR 217 N 1.28 0.31 -3.63 -5.08 -1.04 -0.62 -4.67 114.28 100.84 2rka n THR 217 Ca 0.18 -0.08 -0.05 0.00 -2.04 0.00 0.00 64.05 62.06 2rka n THR 217 Cb 0.55 -1.55 -0.06 0.00 -1.82 0.00 0.00 70.33 67.45 2rka n THR 217 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2rka s LEU 218 N 0.62 -0.93 -0.30 -4.42 2.96 -0.08 -4.85 118.68 111.68 2rka s LEU 218 Ca 0.75 1.42 0.03 0.00 -0.22 0.00 0.00 54.13 56.11 2rka s LEU 218 Cb -0.66 2.27 0.08 0.00 0.50 0.00 0.00 46.19 48.38 2rka s LEU 218 CO 0.41 -0.22 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.59 2rka s ILE 219 N 1.92 2.03 0.08 6.68 1.09 -0.06 -0.16 121.20 132.78 2rka s ILE 219 Ca -0.09 -1.93 0.06 0.00 -1.10 0.00 0.00 60.65 57.60 2rka s ILE 219 Cb -0.06 -2.37 -0.04 0.00 -1.06 0.00 0.00 42.46 38.92 2rka s ILE 219 CO -0.19 -0.39 -0.09 0.00 -0.10 0.00 0.00 174.94 174.17 2rka s ALA 220 N 1.08 2.96 -0.06 9.38 0.00 1.00 -0.88 121.76 135.25 2rka s ALA 220 Ca 0.03 -1.19 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2rka s ALA 220 Cb -0.19 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 21.99 2rka s ALA 220 CO -0.08 0.64 -0.13 -1.01 0.00 0.00 0.00 175.76 175.17 2rka s HIS 221 N -1.15 1.48 -0.62 0.00 3.76 -0.48 -0.86 115.29 117.42 2rka s HIS 221 Ca 0.20 -0.50 0.05 0.00 -0.15 0.00 0.00 55.06 54.66 2rka s HIS 221 Cb -0.11 -1.05 0.17 0.00 1.11 0.00 0.00 32.58 32.69 2rka s HIS 221 CO 0.12 -0.23 0.45 -0.51 -0.85 0.00 0.00 174.74 173.72 2rka s LEU 222 N 0.44 3.89 0.43 0.89 1.02 0.27 -0.20 118.68 125.43 2rka s LEU 222 Ca -0.11 -3.62 0.13 0.00 0.02 0.00 0.00 54.13 50.55 2rka s LEU 222 Cb -0.14 -1.31 1.02 0.00 0.02 0.00 0.00 46.19 45.78 2rka s LEU 222 CO 0.03 -0.11 1.99 1.55 0.02 0.00 0.00 176.35 179.83 2rka h PRO 223 N 5.49 0.40 -0.06 1.29 0.13 -1.78 -0.87 132.00 136.60 2rka h PRO 223 Ca 0.17 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.15 2rka h PRO 223 Cb 0.80 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 2rka h PRO 223 CO 0.62 0.27 -0.54 -0.44 -0.23 0.00 0.00 178.00 177.67 2rka h ASP 224 N 0.41 0.21 0.35 1.44 3.45 -1.94 -2.73 116.42 117.61 2rka h ASP 224 Ca 0.25 -0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2rka h ASP 224 Cb 0.46 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.17 2rka h ASP 224 CO -0.07 0.71 -0.38 0.54 -1.57 0.00 0.00 179.24 178.48 2rka n ARG 225 N -3.91 0.45 -3.44 3.56 1.74 -0.76 -4.96 116.66 109.33 2rka n ARG 225 Ca -0.02 -0.27 -0.19 0.00 -0.77 0.00 0.00 57.85 56.61 2rka n ARG 225 Cb 0.57 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.60 2rka n ARG 225 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2rka n ARG 226 N -1.04 -6.85 -4.55 5.56 5.12 -0.40 -4.88 116.66 109.61 2rka n ARG 226 Ca 0.09 0.82 -0.22 0.00 -1.93 0.00 0.00 57.85 56.61 2rka n ARG 226 Cb 0.34 -5.78 -0.14 0.00 -1.16 0.00 0.00 32.46 25.72 2rka n ARG 226 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2rka s GLU 227 N -5.62 1.12 -0.09 5.56 2.02 -0.95 -1.03 118.70 119.70 2rka s GLU 227 Ca 0.18 -0.67 0.03 0.00 0.02 0.00 0.00 54.97 54.53 2rka s GLU 227 Cb -0.08 -1.12 0.01 0.00 0.10 0.00 0.00 34.13 33.03 2rka s GLU 227 CO 0.71 0.29 -0.20 0.42 0.02 0.00 0.00 175.26 176.51 2rka s ILE 228 N -0.60 1.73 -0.14 -1.63 1.01 0.72 -0.57 121.20 121.72 2rka s ILE 228 Ca 0.04 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 2rka s ILE 228 Cb -0.07 -1.52 0.04 0.00 0.01 0.00 0.00 42.46 40.92 2rka s ILE 228 CO 0.00 0.49 -0.01 -0.63 0.00 0.00 0.00 174.94 174.79 2rka s ILE 229 N 0.50 0.70 -0.06 2.92 1.01 -0.04 -0.59 121.20 125.65 2rka s ILE 229 Ca -0.16 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.17 2rka s ILE 229 Cb -0.17 -0.95 0.01 0.00 0.01 0.00 0.00 42.46 41.36 2rka s ILE 229 CO 0.06 0.10 -0.12 -0.55 0.00 0.00 0.00 174.94 174.43 2rka s SER 230 N 1.81 1.71 -0.03 3.58 0.15 0.50 -0.00 113.70 121.42 2rka s SER 230 Ca 0.02 -0.28 0.02 0.00 0.70 0.00 0.00 55.95 56.41 2rka s SER 230 Cb -0.15 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.39 2rka s SER 230 CO -0.07 0.03 -0.08 0.12 1.20 0.00 0.00 173.24 174.44 2rka s PHE 231 N 0.64 0.89 0.00 3.44 5.36 0.77 -2.03 117.98 127.06 2rka s PHE 231 Ca -0.14 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 2rka s PHE 231 Cb -0.15 -0.64 0.00 0.00 -0.34 0.00 0.00 43.02 41.88 2rka s PHE 231 CO 0.03 -0.10 0.00 0.41 -1.46 0.00 0.00 175.22 174.11 2rka n GLY 232 N 3.31 2.86 3.28 13.12 0.00 0.20 -0.90 105.19 127.07 2rka n GLY 232 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2rka n GLY 232 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2rka s SER 233 N -1.28 3.33 0.00 1.61 0.15 -1.26 0.35 113.70 116.60 2rka s SER 233 Ca 0.00 -0.48 0.26 0.00 0.70 0.00 0.00 55.95 56.43 2rka s SER 233 Cb 0.00 -1.26 0.76 0.00 -1.71 0.00 0.00 66.02 63.82 2rka s SER 233 CO 0.00 0.20 1.58 0.61 1.20 0.00 0.00 173.24 176.83 2rka n GLY 234 N 3.29 0.38 3.75 9.45 0.00 -1.26 -4.41 105.19 116.39 2rka n GLY 234 Ca -0.18 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 2rka n GLY 234 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2rka s TYR 235 N -1.95 3.63 0.00 1.61 6.14 -1.26 -4.70 117.35 120.82 2rka s TYR 235 Ca 0.35 1.09 0.00 0.00 0.64 0.00 0.00 57.07 59.15 2rka s TYR 235 Cb 0.20 -2.57 0.00 0.00 0.42 0.00 0.00 41.96 40.01 2rka s TYR 235 CO 0.32 0.31 0.00 0.41 0.64 0.00 0.00 175.55 177.22 2rka n GLY 236 N 2.67 0.00 0.28 8.97 0.00 -1.26 -0.89 105.19 114.97 2rka n GLY 236 Ca -0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.13 2rka n GLY 236 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2rka h GLY 237 N 0.00 0.00 1.98 -0.02 0.00 -1.93 0.11 103.07 103.20 2rka h GLY 237 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2rka h GLY 237 CO 0.00 0.00 -0.50 3.43 0.00 0.00 0.00 176.54 179.47 2rka h ASN 238 N 0.00 0.00 0.00 0.19 -0.26 -1.35 -3.42 115.58 110.73 2rka h ASN 238 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2rka h ASN 238 Cb 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.51 2rka h ASN 238 CO 0.00 0.48 -0.85 -1.54 -1.06 0.00 0.00 177.43 174.46 2rka n SER 239 N -3.21 4.25 -4.45 5.81 3.41 -0.81 -4.83 113.62 113.78 2rka n SER 239 Ca 0.02 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.19 2rka n SER 239 Cb 0.73 0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 65.08 2rka n SER 239 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2rka s LEU 240 N -3.54 4.94 0.42 1.04 1.43 0.31 -4.89 118.68 118.38 2rka s LEU 240 Ca 0.00 -1.85 0.26 0.00 -1.03 0.00 0.00 54.13 51.51 2rka s LEU 240 Cb 0.00 -2.40 0.64 0.00 0.03 0.00 0.00 46.19 44.46 2rka s LEU 240 CO 0.00 -1.13 1.71 -0.07 0.23 0.00 0.00 176.35 177.09 2rka h LEU 241 N 10.58 0.00 -1.28 1.79 3.38 -1.88 -2.98 115.31 124.93 2rka h LEU 241 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2rka h LEU 241 Cb 1.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2rka h LEU 241 CO 1.12 0.00 0.31 1.23 0.09 0.00 0.00 178.44 181.19 2rka h GLY 242 N 3.63 0.86 0.00 0.83 0.00 -1.96 -1.17 103.07 105.25 2rka h GLY 242 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2rka h GLY 242 CO 0.00 0.36 0.00 1.17 0.00 0.00 0.00 176.54 178.07 2rka n LYS 243 N -4.38 0.00 0.01 4.80 4.81 -1.12 -0.61 118.16 121.67 2rka n LYS 243 Ca 0.05 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.31 2rka n LYS 243 Cb 0.11 -0.47 -0.13 0.00 0.02 0.00 0.00 35.03 34.55 2rka n LYS 243 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2rka h LYS 244 N 0.00 0.25 -0.03 1.64 1.79 -1.79 -2.55 116.57 115.88 2rka h LYS 244 Ca 0.00 -0.37 -0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2rka h LYS 244 Cb 0.00 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2rka h LYS 244 CO 0.00 1.14 0.01 0.00 -1.08 0.00 0.00 179.45 179.52 2rka h PHE 246 N -0.13 0.00 0.00 0.00 3.04 -1.28 -0.41 116.94 118.16 2rka h PHE 246 Ca 0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.96 2rka h PHE 246 Cb 0.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.70 2rka h PHE 246 CO -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.28 2rka n ALA 247 N -2.72 2.05 -0.03 2.41 0.00 0.22 -0.30 120.51 122.15 2rka n ALA 247 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.33 2rka n ALA 247 Cb 0.05 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 2rka n ALA 247 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rka n LEU 248 N -1.93 1.19 0.15 0.00 4.77 -0.90 -4.63 117.00 115.64 2rka n LEU 248 Ca 0.05 0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 56.14 2rka n LEU 248 Cb 0.32 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 2rka n LEU 248 CO 0.24 -0.24 0.19 0.03 -1.33 0.00 0.00 177.39 176.28 2rka h ARG 249 N -0.40 -0.44 -0.03 3.23 3.08 -1.14 -1.45 114.38 117.23 2rka h ARG 249 Ca -0.12 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2rka h ARG 249 Cb 0.74 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 2rka h ARG 249 CO -0.07 -0.29 0.02 0.82 -1.07 0.00 0.00 179.97 179.38 2rka h ILE 250 N -1.06 1.01 -0.15 2.04 1.08 -1.01 -3.14 117.51 116.29 2rka h ILE 250 Ca -0.05 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.32 2rka h ILE 250 Cb 0.35 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 2rka h ILE 250 CO 0.08 0.01 -0.21 0.00 -0.69 0.00 0.00 178.15 177.34 2rka h ALA 251 N 1.00 1.38 -0.82 1.87 0.00 -0.77 -2.36 119.26 119.56 2rka h ALA 251 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2rka h ALA 251 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2rka h ALA 251 CO -0.00 0.43 0.36 0.66 0.00 0.00 0.00 179.25 180.70 2rka h SER 252 N 0.23 1.10 -0.26 0.00 4.64 -1.21 0.26 113.55 118.32 2rka h SER 252 Ca 0.04 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.17 2rka h SER 252 Cb 0.51 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2rka h SER 252 CO 0.03 0.95 0.01 -0.09 -0.87 0.00 0.00 176.83 176.86 2rka h ARG 253 N 1.18 0.45 -0.42 4.77 1.12 -1.45 -1.49 114.38 118.54 2rka h ARG 253 Ca 0.28 -0.14 0.01 0.00 -1.11 0.00 0.00 59.98 59.03 2rka h ARG 253 Cb 0.16 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.06 2rka h ARG 253 CO -0.03 0.60 0.26 -0.07 -3.11 0.00 0.00 179.97 177.62 2rka h LEU 254 N 0.23 0.42 -0.63 3.80 3.38 -1.15 -1.27 115.31 120.10 2rka h LEU 254 Ca 0.07 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2rka h LEU 254 Cb 0.40 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2rka h LEU 254 CO 0.01 0.30 0.27 0.00 0.09 0.00 0.00 178.44 179.12 2rka h ALA 255 N 1.18 0.83 -0.79 1.53 0.00 -0.40 0.35 119.26 121.96 2rka h ALA 255 Ca 0.16 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2rka h ALA 255 Cb -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2rka h ALA 255 CO -0.06 -0.13 0.42 -0.22 0.00 0.00 0.00 179.25 179.26 2rka h LYS 256 N 0.49 1.11 -0.43 0.00 3.11 -0.86 0.22 116.57 120.19 2rka h LYS 256 Ca 0.31 -0.14 -0.07 0.00 -2.81 0.00 0.00 60.65 57.94 2rka h LYS 256 Cb 0.34 -0.21 -0.02 0.00 -1.00 0.00 0.00 32.23 31.33 2rka h LYS 256 CO -0.27 0.83 -0.02 0.93 -2.81 0.00 0.00 179.45 178.11 2rka h GLU 257 N 1.10 0.72 -0.00 1.90 5.08 -0.25 -3.34 114.58 119.78 2rka h GLU 257 Ca 0.28 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2rka h GLU 257 Cb 0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2rka h GLU 257 CO -0.04 0.74 -0.36 0.39 -1.00 0.00 0.00 179.01 178.74 2rka n GLU 258 N -4.22 2.61 -0.12 2.33 1.02 0.02 -5.02 120.64 117.26 2rka n GLU 258 Ca 0.02 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.79 2rka n GLU 258 Cb 0.30 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.64 2rka n GLU 258 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rka n GLY 259 N 1.08 1.10 0.00 0.62 0.00 0.55 -5.04 105.19 103.50 2rka n GLY 259 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2rka n GLY 259 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 2rka n TRP 260 N -1.96 0.00 -4.34 1.61 4.27 0.03 -4.76 117.44 112.29 2rka n TRP 260 Ca 0.00 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.41 2rka n TRP 260 Cb 0.01 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.80 2rka n TRP 260 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 2rka s LEU 261 N 0.00 1.73 -0.24 5.67 1.43 0.33 -4.05 118.68 123.54 2rka s LEU 261 Ca 0.00 -0.17 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 2rka s LEU 261 Cb 0.00 -0.52 0.04 0.00 0.03 0.00 0.00 46.19 45.75 2rka s LEU 261 CO 0.00 0.04 -0.12 0.00 0.23 0.00 0.00 176.35 176.50 2rka s ALA 262 N 0.30 2.53 0.09 4.21 0.00 -1.26 -0.11 121.76 127.52 2rka s ALA 262 Ca -0.04 -1.59 0.05 0.00 0.00 0.00 0.00 51.96 50.38 2rka s ALA 262 Cb -0.09 -1.51 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 2rka s ALA 262 CO 0.00 -0.93 -0.14 -1.21 0.00 0.00 0.00 175.76 173.48 2rka s GLU 263 N 1.19 0.89 -1.40 0.00 0.41 0.71 -4.66 118.70 115.84 2rka s GLU 263 Ca -0.04 -1.05 -0.12 0.00 -0.41 0.00 0.00 54.97 53.35 2rka s GLU 263 Cb -0.18 -0.86 0.09 0.00 -1.78 0.00 0.00 34.13 31.40 2rka s GLU 263 CO -0.07 0.18 2.11 1.58 -0.49 0.00 0.00 175.26 178.58 2rka n HIS 264 N 1.04 3.28 -4.41 1.61 -0.00 -1.26 -0.96 115.22 114.52 2rka n HIS 264 Ca -0.19 -2.91 -0.21 0.00 -0.00 0.00 0.00 57.72 54.41 2rka n HIS 264 Cb 0.55 -2.32 -0.15 0.00 -0.00 0.00 0.00 29.99 28.06 2rka n HIS 264 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.34 174.70 2rka s MET 265 N 2.10 0.99 0.69 1.57 -1.94 -0.31 -4.31 119.30 118.09 2rka s MET 265 Ca 0.45 -0.32 -0.14 0.00 -1.71 0.00 0.00 55.69 53.96 2rka s MET 265 Cb 0.13 -0.92 0.02 0.00 2.01 0.00 0.00 34.83 36.06 2rka s MET 265 CO -0.05 0.13 1.11 -0.48 -0.01 0.00 0.00 175.02 175.71 2rka s LEU 266 N 0.15 3.29 -0.08 -0.03 0.05 -0.31 -2.39 118.68 119.37 2rka s LEU 266 Ca -0.03 1.97 0.04 0.00 0.05 0.00 0.00 54.13 56.16 2rka s LEU 266 Cb -0.08 -4.55 0.00 0.00 -2.05 0.00 0.00 46.19 39.51 2rka s LEU 266 CO 0.00 -1.78 -0.20 -0.63 -0.55 0.00 0.00 176.35 173.20 2rka s ILE 267 N -2.47 1.69 0.05 1.48 1.01 -0.34 -1.76 121.20 120.86 2rka s ILE 267 Ca 0.66 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.53 2rka s ILE 267 Cb -0.20 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 2rka s ILE 267 CO 0.45 0.48 -0.10 -1.48 0.00 0.00 0.00 174.94 174.29 2rka s LEU 268 N 0.36 2.23 -0.19 2.97 0.05 -0.17 -1.43 118.68 122.50 2rka s LEU 268 Ca -0.14 -0.53 -0.10 0.00 0.05 0.00 0.00 54.13 53.40 2rka s LEU 268 Cb -0.16 -0.33 -0.05 0.00 -2.05 0.00 0.00 46.19 43.60 2rka s LEU 268 CO 0.06 -0.12 0.15 -0.83 -0.55 0.00 0.00 176.35 175.06 2rka s GLY 269 N -1.47 2.07 -0.09 -3.48 0.00 -0.16 -0.96 107.32 103.22 2rka s GLY 269 Ca -0.05 -0.65 0.05 0.00 0.00 0.00 0.00 44.72 44.06 2rka s GLY 269 CO 0.01 0.17 -0.24 -1.50 0.00 0.00 0.00 173.10 171.54 2rka s ILE 270 N 0.35 2.02 -0.10 0.90 2.07 0.15 -0.48 121.20 126.11 2rka s ILE 270 Ca 0.09 -1.01 0.03 0.00 -1.41 0.00 0.00 60.65 58.35 2rka s ILE 270 Cb -0.11 -1.74 0.00 0.00 0.13 0.00 0.00 42.46 40.74 2rka s ILE 270 CO -0.01 0.56 -0.22 -0.89 -1.91 0.00 0.00 174.94 172.47 2rka s THR 271 N 0.19 1.91 0.82 4.00 2.01 -0.20 -0.72 115.64 123.65 2rka s THR 271 Ca -0.14 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 60.82 2rka s THR 271 Cb -0.17 -1.67 0.11 0.00 0.01 0.00 0.00 72.50 70.78 2rka s THR 271 CO 0.07 0.53 1.18 0.54 -0.69 0.00 0.00 174.62 176.24 2rka s ASN 272 N 0.52 4.21 0.60 3.53 2.20 -0.22 -1.53 114.94 124.26 2rka s ASN 272 Ca -0.15 0.55 0.31 0.00 -0.94 0.00 0.00 52.86 52.63 2rka s ASN 272 Cb -0.17 -0.96 1.84 0.00 -2.00 0.00 0.00 41.25 39.97 2rka s ASN 272 CO 0.05 -2.05 2.20 -0.65 -2.94 0.00 0.00 177.10 173.71 2rka h PRO 273 N -1.10 0.00 -0.05 3.55 0.11 -1.83 -0.67 132.00 132.01 2rka h PRO 273 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2rka h PRO 273 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2rka h PRO 273 CO 0.57 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.75 2rka n GLU 274 N -3.68 1.61 -0.56 1.05 1.02 -1.26 -4.94 120.64 113.88 2rka n GLU 274 Ca -0.01 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.24 2rka n GLU 274 Cb 0.18 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 2rka n GLU 274 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rka n GLY 275 N 1.14 0.75 3.74 0.62 0.00 -0.26 -5.05 105.19 106.13 2rka n GLY 275 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2rka n GLY 275 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rka s LYS 276 N -0.44 4.74 -0.00 1.61 2.20 -1.26 -4.81 119.74 121.78 2rka s LYS 276 Ca 0.00 1.52 0.06 0.00 -0.36 0.00 0.00 55.97 57.19 2rka s LYS 276 Cb 0.00 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2rka s LYS 276 CO 0.00 0.31 -0.20 0.21 -0.36 0.00 0.00 175.35 175.32 2rka s LYS 277 N -0.59 1.53 0.04 4.03 2.20 -1.26 -1.06 119.74 124.63 2rka s LYS 277 Ca 0.45 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2rka s LYS 277 Cb -0.26 -1.51 -0.03 0.00 -1.51 0.00 0.00 37.83 34.53 2rka s LYS 277 CO 0.32 0.41 -0.04 0.15 -0.36 0.00 0.00 175.35 175.82 2rka s LYS 278 N -0.61 0.45 -0.10 4.03 1.02 0.10 -4.97 119.74 119.66 2rka s LYS 278 Ca 0.07 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 2rka s LYS 278 Cb -0.08 0.02 -0.04 0.00 -0.52 0.00 0.00 37.83 37.21 2rka s LYS 278 CO -0.00 -0.04 0.04 0.71 -0.92 0.00 0.00 175.35 175.14 2rka s TYR 279 N -2.07 3.27 0.06 3.18 1.51 -1.25 0.30 117.35 122.35 2rka s TYR 279 Ca -0.08 0.26 0.06 0.00 -1.01 0.00 0.00 57.07 56.29 2rka s TYR 279 Cb -0.05 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2rka s TYR 279 CO -0.03 0.50 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.25 2rka s LEU 280 N -0.81 2.22 0.05 -1.29 1.43 -0.14 -1.56 118.68 118.57 2rka s LEU 280 Ca 0.13 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.76 2rka s LEU 280 Cb -0.12 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2rka s LEU 280 CO 0.03 0.01 -0.19 0.00 0.23 0.00 0.00 176.35 176.43 2rka s ALA 281 N -1.02 2.56 -0.02 4.21 0.00 -0.39 -1.00 121.76 126.11 2rka s ALA 281 Ca 0.02 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 50.76 2rka s ALA 281 Cb -0.09 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.35 2rka s ALA 281 CO 0.02 0.57 -0.01 0.00 0.00 0.00 0.00 175.76 176.34 2rka s ALA 282 N -0.93 0.27 -0.30 0.00 0.00 -0.72 -0.34 121.76 119.75 2rka s ALA 282 Ca 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 2rka s ALA 282 Cb -0.10 -0.19 0.04 0.00 0.00 0.00 0.00 23.12 22.86 2rka s ALA 282 CO 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 175.76 175.81 2rka s ALA 283 N 0.51 2.85 0.06 0.00 0.00 0.05 -1.16 121.76 124.07 2rka s ALA 283 Ca -0.05 -1.67 0.09 0.00 0.00 0.00 0.00 51.96 50.33 2rka s ALA 283 Cb -0.08 -1.96 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 2rka s ALA 283 CO -0.01 -1.16 -0.24 -0.06 0.00 0.00 0.00 175.76 174.29 2rka s PHE 284 N 1.31 2.08 1.29 0.00 0.08 -1.26 -2.98 117.98 118.50 2rka s PHE 284 Ca -0.03 -0.39 -0.18 0.00 0.12 0.00 0.00 56.93 56.45 2rka s PHE 284 Cb -0.19 -1.22 0.32 0.00 -0.57 0.00 0.00 43.02 41.37 2rka s PHE 284 CO -0.01 0.16 0.99 -2.14 -0.10 0.00 0.00 175.22 174.12 2rka s PRO 285 N -1.42 -1.89 0.67 0.24 0.02 -1.26 -4.83 135.00 126.52 2rka s PRO 285 Ca 0.10 0.41 -0.16 0.00 0.02 0.00 0.00 61.00 61.37 2rka s PRO 285 Cb -0.10 -1.48 0.00 0.00 0.02 0.00 0.00 34.50 32.95 2rka s PRO 285 CO 0.03 -4.26 1.16 -1.54 -0.33 0.00 0.00 177.00 172.06 2rka s SER 286 N -2.96 4.83 -1.54 2.53 1.04 -1.26 -3.54 113.70 112.80 2rka s SER 286 Ca 0.69 2.21 -0.01 0.00 0.48 0.00 0.00 55.95 59.31 2rka s SER 286 Cb -0.18 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.36 2rka s SER 286 CO 0.61 -1.83 0.13 0.00 0.98 0.00 0.00 173.24 173.13 2rka n ALA 287 N -2.30 -0.62 -0.76 5.32 0.00 -1.26 -4.90 120.51 115.99 2rka n ALA 287 Ca 0.12 0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.81 2rka n ALA 287 Cb 0.51 -2.38 0.10 0.00 0.00 0.00 0.00 19.45 17.67 2rka n ALA 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rka n GLY 289 N -1.17 0.32 0.13 0.00 0.00 -1.26 -4.98 105.19 98.23 2rka n GLY 289 Ca 0.11 -0.30 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 2rka n GLY 289 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2rka h LYS 290 N -1.06 -0.22 -0.23 1.61 3.64 -1.94 -1.71 116.57 116.65 2rka h LYS 290 Ca -0.23 0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.09 2rka h LYS 290 Cb 1.15 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 2rka h LYS 290 CO 0.23 0.09 -0.18 1.15 -2.27 0.00 0.00 179.45 178.46 2rka h THR 291 N -0.54 1.23 -0.73 1.00 2.02 -1.94 -1.98 112.91 111.98 2rka h THR 291 Ca -0.02 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.07 2rka h THR 291 Cb 0.41 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2rka h THR 291 CO 0.04 0.34 0.39 0.78 0.37 0.00 0.00 175.52 177.44 2rka h ASN 292 N 0.36 0.90 -0.07 4.18 2.35 -1.87 -2.19 115.58 119.25 2rka h ASN 292 Ca 0.06 -0.08 -0.24 0.00 -0.55 0.00 0.00 56.30 55.50 2rka h ASN 292 Cb 0.54 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.69 2rka h ASN 292 CO 0.04 0.73 -0.89 0.25 -1.65 0.00 0.00 177.43 175.90 2rka h LEU 293 N 1.02 0.92 -1.34 1.61 5.85 -0.96 -2.15 115.31 120.26 2rka h LEU 293 Ca 0.26 -0.66 -0.03 0.00 0.84 0.00 0.00 57.88 58.29 2rka h LEU 293 Cb 0.04 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2rka h LEU 293 CO -0.04 1.46 0.12 0.00 -0.34 0.00 0.00 178.44 179.64 2rka h ALA 294 N 0.50 1.47 -0.44 1.25 0.00 -1.21 -2.93 119.26 117.90 2rka h ALA 294 Ca -0.09 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.37 2rka h ALA 294 Cb 1.53 -0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.91 2rka h ALA 294 CO 0.18 0.39 -0.63 0.00 0.00 0.00 0.00 179.25 179.20 2rka n MET 295 N -4.35 2.72 -1.66 0.00 0.00 -0.84 -3.91 117.12 109.09 2rka n MET 295 Ca 0.02 -3.77 -0.44 0.00 0.00 0.00 0.00 57.70 53.52 2rka n MET 295 Cb 0.17 -2.00 -0.01 0.00 0.00 0.00 0.00 33.22 31.38 2rka n MET 295 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 2rka n MET 296 N -0.89 1.85 -3.25 3.17 0.00 -0.81 -4.56 117.12 112.62 2rka n MET 296 Ca 0.34 0.65 -0.46 0.00 0.00 0.00 0.00 57.70 58.24 2rka n MET 296 Cb 0.86 -2.18 -0.05 0.00 0.00 0.00 0.00 33.22 31.85 2rka n MET 296 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2rka s ASN 297 N -0.29 6.23 0.30 6.12 3.04 -1.26 -4.48 114.94 124.59 2rka s ASN 297 Ca 0.59 -1.75 -0.29 0.00 0.04 0.00 0.00 52.86 51.45 2rka s ASN 297 Cb -0.63 -2.24 -0.10 0.00 -1.54 0.00 0.00 41.25 36.74 2rka s ASN 297 CO 0.60 -0.92 1.36 -2.84 -3.04 0.00 0.00 177.10 172.26 2rka s PRO 298 N 1.83 4.31 0.14 0.43 0.02 -1.26 -4.29 135.00 136.19 2rka s PRO 298 Ca 0.07 2.25 0.08 0.00 0.02 0.00 0.00 61.00 63.42 2rka s PRO 298 Cb -0.27 -3.09 -0.16 0.00 0.02 0.00 0.00 34.50 31.00 2rka s PRO 298 CO 0.03 -0.29 1.31 1.79 -0.33 0.00 0.00 177.00 179.51 2rka h THR 299 N 3.24 1.60 -3.03 0.99 1.35 -1.78 -3.45 112.91 111.83 2rka h THR 299 Ca -0.48 -3.25 -0.54 0.00 -0.55 0.00 0.00 66.41 61.59 2rka h THR 299 Cb 1.22 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 70.42 2rka h THR 299 CO 0.70 0.91 0.72 -0.76 -0.25 0.00 0.00 175.52 176.84 2rka s LEU 300 N -6.69 4.32 0.45 3.87 1.43 -1.26 -4.99 118.68 115.81 2rka s LEU 300 Ca 0.01 2.00 -0.25 0.00 -1.03 0.00 0.00 54.13 54.87 2rka s LEU 300 Cb 0.10 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.67 2rka s LEU 300 CO 0.81 -0.62 1.32 -2.16 0.23 0.00 0.00 176.35 175.94 2rka s PRO 301 N 1.97 3.73 0.00 1.29 0.04 -1.26 -2.66 135.00 138.11 2rka s PRO 301 Ca 0.60 2.18 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2rka s PRO 301 Cb -0.29 -2.60 0.00 0.00 0.04 0.00 0.00 34.50 31.65 2rka s PRO 301 CO 0.26 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2rka n GLY 302 N 0.63 3.16 3.83 0.56 0.00 -1.26 -4.78 105.19 107.33 2rka n GLY 302 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 2rka n GLY 302 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2rka s TRP 303 N -1.85 3.58 -0.04 1.61 0.52 -1.09 -2.87 118.94 118.82 2rka s TRP 303 Ca 0.00 1.20 -0.02 0.00 0.02 0.00 0.00 56.10 57.30 2rka s TRP 303 Cb 0.00 -2.49 0.02 0.00 -1.15 0.00 0.00 33.47 29.86 2rka s TRP 303 CO 0.00 0.34 0.08 0.21 0.02 0.00 0.00 176.95 177.60 2rka s LYS 304 N -2.14 0.05 -0.09 4.98 2.47 -0.58 -4.76 119.74 119.67 2rka s LYS 304 Ca 0.42 0.20 0.02 0.00 -1.56 0.00 0.00 55.97 55.06 2rka s LYS 304 Cb -0.15 -0.11 -0.02 0.00 -1.46 0.00 0.00 37.83 36.10 2rka s LYS 304 CO 0.20 -0.10 -0.17 0.08 0.16 0.00 0.00 175.35 175.52 2rka s VAL 305 N 0.67 2.77 0.15 4.02 1.01 -1.26 -1.03 120.40 126.73 2rka s VAL 305 Ca -0.05 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.23 2rka s VAL 305 Cb -0.07 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 2rka s VAL 305 CO -0.03 0.55 -0.22 -1.61 0.00 0.00 0.00 175.10 173.80 2rka s GLU 306 N -0.05 1.33 -0.21 2.72 2.02 0.37 -4.83 118.70 120.05 2rka s GLU 306 Ca -0.04 -1.37 -0.06 0.00 0.02 0.00 0.00 54.97 53.51 2rka s GLU 306 Cb -0.14 -1.60 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 2rka s GLU 306 CO 0.04 0.35 0.04 0.00 0.02 0.00 0.00 175.26 175.72 2rka n VAL 308 N 4.34 1.56 -3.64 0.00 0.31 -0.51 -0.50 118.33 119.89 2rka n VAL 308 Ca -0.17 -0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 2rka n VAL 308 Cb 0.52 -1.97 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 2rka n VAL 308 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2rka s GLY 309 N -5.07 -0.26 0.00 2.92 0.00 -0.88 -4.75 107.32 99.27 2rka s GLY 309 Ca -0.30 -0.02 0.07 0.00 0.00 0.00 0.00 44.72 44.47 2rka s GLY 309 CO 0.60 -0.18 1.02 2.09 0.00 0.00 0.00 173.10 176.62 2rka n ASP 310 N -0.32 2.28 0.05 1.64 5.75 -1.26 -1.20 116.55 123.49 2rka n ASP 310 Ca -0.13 -1.77 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 2rka n ASP 310 Cb 0.63 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2rka n ASP 310 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2rka n ASP 311 N 0.25 -0.22 -4.07 -1.12 2.03 -1.26 -4.49 116.55 107.68 2rka n ASP 311 Ca 0.07 0.18 -0.22 0.00 0.52 0.00 0.00 54.79 55.34 2rka n ASP 311 Cb 0.31 0.31 -0.15 0.00 -0.72 0.00 0.00 41.12 40.87 2rka n ASP 311 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2rka s ILE 312 N -2.00 1.00 -0.04 5.18 1.01 -1.00 -1.17 121.20 124.18 2rka s ILE 312 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2rka s ILE 312 Cb 0.00 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.62 2rka s ILE 312 CO 0.00 0.29 -0.14 0.00 0.00 0.00 0.00 174.94 175.09 2rka s ALA 313 N -0.08 1.29 -0.22 9.38 0.00 -0.13 -4.31 121.76 127.69 2rka s ALA 313 Ca 0.01 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 2rka s ALA 313 Cb -0.07 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 2rka s ALA 313 CO 0.00 0.23 -0.05 -1.58 0.00 0.00 0.00 175.76 174.36 2rka s TRP 314 N 0.09 2.96 -0.02 0.00 0.52 -0.76 -0.21 118.94 121.52 2rka s TRP 314 Ca -0.03 -1.04 0.05 0.00 0.02 0.00 0.00 56.10 55.10 2rka s TRP 314 Cb -0.10 -2.10 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2rka s TRP 314 CO 0.01 -0.58 -0.17 -1.64 0.02 0.00 0.00 176.95 174.59 2rka s MET 315 N 1.46 1.47 -0.07 4.98 -1.94 0.84 -1.26 119.30 124.77 2rka s MET 315 Ca 0.05 -0.62 -0.05 0.00 -1.71 0.00 0.00 55.69 53.36 2rka s MET 315 Cb -0.14 -1.40 0.03 0.00 2.01 0.00 0.00 34.83 35.33 2rka s MET 315 CO -0.04 0.35 0.18 0.21 -0.01 0.00 0.00 175.02 175.72 2rka s LYS 316 N -0.34 0.16 0.10 2.03 2.20 -0.03 -0.51 119.74 123.36 2rka s LYS 316 Ca 0.05 0.35 -0.31 0.00 -0.36 0.00 0.00 55.97 55.70 2rka s LYS 316 Cb -0.07 -0.05 -0.08 0.00 -1.51 0.00 0.00 37.83 36.12 2rka s LYS 316 CO -0.00 -0.10 1.39 -0.06 -0.36 0.00 0.00 175.35 176.22 2rka s PHE 317 N 0.73 3.19 0.65 4.03 0.08 -1.26 -1.35 117.98 124.05 2rka s PHE 317 Ca -0.05 0.93 -0.04 0.00 0.12 0.00 0.00 56.93 57.88 2rka s PHE 317 Cb -0.07 -3.68 0.14 0.00 -0.57 0.00 0.00 43.02 38.83 2rka s PHE 317 CO -0.04 -2.41 0.89 -0.40 -0.10 0.00 0.00 175.22 173.15 2rka n ASP 318 N 4.13 0.80 0.30 1.36 5.68 -0.09 -4.90 116.55 123.82 2rka n ASP 318 Ca 0.12 -1.77 0.17 0.00 -0.50 0.00 0.00 54.79 52.81 2rka n ASP 318 Cb 0.42 -0.61 0.97 0.00 -1.14 0.00 0.00 41.12 40.76 2rka n ASP 318 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2rka h ALA 319 N -0.94 1.45 -0.00 2.12 0.00 -1.95 -1.21 119.26 118.72 2rka h ALA 319 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2rka h ALA 319 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2rka h ALA 319 CO 0.28 -0.03 -0.42 1.04 0.00 0.00 0.00 179.25 180.11 2rka n GLN 320 N -3.69 0.21 -0.40 0.00 1.13 -1.26 -4.94 117.38 108.43 2rka n GLN 320 Ca -0.03 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 54.91 2rka n GLN 320 Cb 0.10 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.96 2rka n GLN 320 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2rka n GLY 321 N 1.46 0.78 3.75 1.08 0.00 -0.46 -4.84 105.19 106.95 2rka n GLY 321 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 2rka n GLY 321 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2rka s ASN 322 N -2.23 7.41 -0.70 1.61 0.01 -1.26 -0.18 114.94 119.60 2rka s ASN 322 Ca 0.00 2.09 -0.25 0.00 -0.71 0.00 0.00 52.86 53.99 2rka s ASN 322 Cb 0.00 -2.61 0.05 0.00 0.41 0.00 0.00 41.25 39.10 2rka s ASN 322 CO 0.00 -0.06 1.12 -0.22 -1.51 0.00 0.00 177.10 176.42 2rka s LEU 323 N -0.97 3.80 -0.17 0.60 2.96 -1.26 -0.91 118.68 122.72 2rka s LEU 323 Ca 0.45 -0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 53.42 2rka s LEU 323 Cb -0.29 -2.49 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 2rka s LEU 323 CO 0.36 -1.63 0.61 -0.13 -1.32 0.00 0.00 176.35 174.24 2rka s ARG 324 N 4.86 4.25 -0.09 1.98 1.81 -0.45 0.01 118.95 131.33 2rka s ARG 324 Ca 0.28 0.61 0.02 0.00 -1.72 0.00 0.00 55.73 54.92 2rka s ARG 324 Cb -0.13 -3.55 -0.02 0.00 -0.45 0.00 0.00 34.95 30.81 2rka s ARG 324 CO 0.12 -0.15 -0.13 0.00 -0.68 0.00 0.00 175.30 174.46 2rka s ALA 325 N 1.62 2.69 0.16 2.13 0.00 0.34 -0.85 121.76 127.85 2rka s ALA 325 Ca 0.29 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.41 2rka s ALA 325 Cb -0.16 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2rka s ALA 325 CO 0.11 0.43 -0.12 0.96 0.00 0.00 0.00 175.76 177.13 2rka s ILE 326 N -0.28 3.08 -0.37 0.00 -4.36 -0.39 -0.34 121.20 118.54 2rka s ILE 326 Ca 0.02 -1.61 -0.23 0.00 -0.26 0.00 0.00 60.65 58.57 2rka s ILE 326 Cb -0.13 -2.49 0.01 0.00 1.25 0.00 0.00 42.46 41.10 2rka s ILE 326 CO 0.03 -0.04 0.78 0.21 0.24 0.00 0.00 174.94 176.16 2rka s ASN 327 N -2.61 6.54 0.15 4.36 2.47 -1.26 -1.83 114.94 122.75 2rka s ASN 327 Ca 0.23 0.30 0.24 0.00 0.42 0.00 0.00 52.86 54.05 2rka s ASN 327 Cb -0.09 -2.40 0.91 0.00 -1.45 0.00 0.00 41.25 38.23 2rka s ASN 327 CO 0.14 -0.75 1.73 -0.81 -3.72 0.00 0.00 177.10 173.69 2rka n PRO 328 N 6.46 0.15 -2.60 0.43 -0.04 -1.26 -4.28 135.00 133.85 2rka n PRO 328 Ca 0.03 0.24 -0.24 0.00 -0.04 0.00 0.00 63.50 63.49 2rka n PRO 328 Cb 0.48 -1.72 0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2rka n PRO 328 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2rka s GLU 329 N -3.13 2.79 0.00 0.54 2.02 -1.26 0.02 118.70 119.67 2rka s GLU 329 Ca 0.09 -0.34 0.02 0.00 0.02 0.00 0.00 54.97 54.76 2rka s GLU 329 Cb 0.12 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 31.99 2rka s GLU 329 CO 0.47 -0.64 0.70 -1.71 0.02 0.00 0.00 175.26 174.09 2rka n ASN 330 N -2.42 1.45 -2.55 -0.19 5.15 -0.18 -4.76 115.26 111.75 2rka n ASN 330 Ca 0.05 -1.33 -0.05 0.00 -0.60 0.00 0.00 54.58 52.65 2rka n ASN 330 Cb 0.58 -0.01 0.02 0.00 -0.53 0.00 0.00 39.78 39.84 2rka n ASN 330 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2rka n GLY 331 N 0.02 1.00 3.29 8.20 0.00 -1.19 -1.91 105.19 114.60 2rka n GLY 331 Ca 0.02 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2rka n GLY 331 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2rka s PHE 332 N -3.43 2.80 -0.97 1.61 0.08 -0.01 -4.78 117.98 113.28 2rka s PHE 332 Ca 0.15 -0.97 -0.04 0.00 0.12 0.00 0.00 56.93 56.19 2rka s PHE 332 Cb -0.03 -1.90 0.24 0.00 -0.57 0.00 0.00 43.02 40.77 2rka s PHE 332 CO 0.07 -0.44 0.93 0.34 -0.10 0.00 0.00 175.22 176.02 2rka n PHE 333 N 4.03 4.46 -3.80 0.36 7.35 -1.26 -1.78 117.46 126.83 2rka n PHE 333 Ca -0.19 -3.99 -0.31 0.00 -0.76 0.00 0.00 57.45 52.20 2rka n PHE 333 Cb 0.52 -1.31 -0.04 0.00 0.35 0.00 0.00 39.48 38.99 2rka n PHE 333 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 2rka s GLY 334 N 0.16 2.21 0.05 7.13 0.00 -0.71 -4.91 107.32 111.24 2rka s GLY 334 Ca 0.29 -0.70 -0.31 0.00 0.00 0.00 0.00 44.72 44.01 2rka s GLY 334 CO -0.10 -0.64 1.45 0.14 0.00 0.00 0.00 173.10 173.95 2rka s VAL 335 N -1.56 3.45 -0.13 1.40 1.01 -1.26 -1.09 120.40 122.22 2rka s VAL 335 Ca 0.37 0.92 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 2rka s VAL 335 Cb -0.13 -3.59 -0.20 0.00 0.00 0.00 0.00 36.38 32.47 2rka s VAL 335 CO 0.26 0.02 0.60 0.00 0.00 0.00 0.00 175.10 175.97 2rka h ALA 336 N 7.65 -0.01 -2.41 5.51 0.00 -1.28 -3.43 119.26 125.30 2rka h ALA 336 Ca -0.40 -0.37 -0.58 0.00 0.00 0.00 0.00 54.91 53.56 2rka h ALA 336 Cb 1.19 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.08 2rka h ALA 336 CO 0.90 -0.01 0.56 -2.30 0.00 0.00 0.00 179.25 178.39 2rka n PRO 337 N -4.66 2.07 -0.06 0.00 -0.02 -1.26 -1.60 135.00 129.46 2rka n PRO 337 Ca -0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2rka n PRO 337 Cb 0.36 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2rka n PRO 337 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rka n GLY 338 N 1.54 1.20 3.62 -1.23 0.00 0.60 -4.99 105.19 105.93 2rka n GLY 338 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2rka n GLY 338 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rka s THR 339 N -2.48 4.66 0.26 2.61 2.01 -0.63 -4.80 115.64 117.27 2rka s THR 339 Ca 0.00 1.39 0.03 0.00 0.31 0.00 0.00 61.69 63.42 2rka s THR 339 Cb 0.00 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 2rka s THR 339 CO 0.00 -0.38 0.20 -0.94 -0.69 0.00 0.00 174.62 172.81 2rka s SER 340 N 1.67 0.87 0.46 3.53 1.04 -1.26 -4.11 113.70 115.90 2rka s SER 340 Ca 0.38 -1.56 0.14 0.00 0.48 0.00 0.00 55.95 55.39 2rka s SER 340 Cb -0.13 0.47 1.04 0.00 0.10 0.00 0.00 66.02 67.49 2rka s SER 340 CO 0.14 -0.95 2.02 0.58 0.98 0.00 0.00 173.24 176.01 2rka h VAL 341 N 2.39 1.11 -0.05 5.02 2.07 -1.81 0.17 116.25 125.14 2rka h VAL 341 Ca -0.31 -0.50 -0.18 0.00 0.82 0.00 0.00 66.70 66.53 2rka h VAL 341 Cb 1.24 1.25 0.01 0.00 -1.52 0.00 0.00 31.29 32.27 2rka h VAL 341 CO 0.45 0.15 -0.66 0.11 0.02 0.00 0.00 177.57 177.63 2rka h LYS 342 N 0.02 0.54 0.06 1.57 6.56 -1.93 -3.16 116.57 120.23 2rka h LYS 342 Ca 0.00 -0.51 -0.30 0.00 -1.06 0.00 0.00 60.65 58.79 2rka h LYS 342 Cb 0.25 0.13 -0.03 0.00 -0.57 0.00 0.00 32.23 32.02 2rka h LYS 342 CO 0.02 1.14 -1.58 1.79 -2.06 0.00 0.00 179.45 178.76 2rka h THR 343 N 0.12 1.06 -0.70 -0.16 1.35 -1.83 -3.44 112.91 109.31 2rka h THR 343 Ca -0.07 -2.79 -0.23 0.00 -0.55 0.00 0.00 66.41 62.77 2rka h THR 343 Cb 1.33 2.62 -0.18 0.00 -1.73 0.00 0.00 68.15 70.20 2rka h THR 343 CO 0.13 0.74 -0.56 -3.20 -0.25 0.00 0.00 175.52 172.38 2rka n ASN 344 N -3.30 -2.83 0.07 5.36 2.85 0.57 -4.84 115.26 113.15 2rka n ASN 344 Ca -0.16 -3.04 0.03 0.00 -0.11 0.00 0.00 54.58 51.29 2rka n ASN 344 Cb 1.03 1.51 0.40 0.00 1.24 0.00 0.00 39.78 43.97 2rka n ASN 344 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2rka h PRO 345 N 4.54 0.36 -0.10 1.20 0.13 -1.55 -2.68 132.00 133.90 2rka h PRO 345 Ca -0.02 -0.06 -0.12 0.00 -0.87 0.00 0.00 66.00 64.93 2rka h PRO 345 Cb 1.05 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 2rka h PRO 345 CO 0.20 0.37 -0.48 -0.91 -0.23 0.00 0.00 178.00 176.95 2rka h ASN 346 N 0.36 0.27 -0.46 1.44 2.35 -1.90 -2.35 115.58 115.28 2rka h ASN 346 Ca 0.08 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 2rka h ASN 346 Cb 0.21 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 2rka h ASN 346 CO 0.00 0.71 0.05 0.00 -1.65 0.00 0.00 177.43 176.55 2rka h ALA 347 N 1.30 0.62 -0.78 -0.83 0.00 -1.80 -2.03 119.26 115.74 2rka h ALA 347 Ca 0.01 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2rka h ALA 347 Cb 0.93 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.47 2rka h ALA 347 CO 0.08 0.37 0.42 0.82 0.00 0.00 0.00 179.25 180.94 2rka h ILE 348 N 0.65 0.87 -0.29 0.00 1.08 -1.23 -1.50 117.51 117.08 2rka h ILE 348 Ca 0.14 -0.24 -0.10 0.00 -0.39 0.00 0.00 64.86 64.27 2rka h ILE 348 Cb 0.42 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 2rka h ILE 348 CO 0.01 0.13 -0.22 0.11 -0.69 0.00 0.00 178.15 177.49 2rka h LYS 349 N 0.70 0.56 -0.24 2.37 1.57 -1.27 -3.29 116.57 116.96 2rka h LYS 349 Ca 0.39 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.84 2rka h LYS 349 Cb 0.39 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 2rka h LYS 349 CO -0.27 0.74 -0.31 1.15 -0.57 0.00 0.00 179.45 180.20 2rka h THR 350 N 0.49 1.31 -0.13 -0.16 2.02 -0.54 -3.33 112.91 112.58 2rka h THR 350 Ca 0.08 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.76 2rka h THR 350 Cb 0.65 1.71 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 2rka h THR 350 CO 0.05 0.47 0.00 2.30 0.37 0.00 0.00 175.52 178.71 2rka n ILE 351 N -4.29 0.16 0.94 3.11 -5.35 -0.81 -3.90 119.36 109.23 2rka n ILE 351 Ca -0.05 -0.19 0.14 0.00 -0.27 0.00 0.00 62.75 62.38 2rka n ILE 351 Cb 0.48 0.07 0.58 0.00 -1.74 0.00 0.00 39.64 39.02 2rka n ILE 351 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rka n GLN 352 N -0.13 0.04 -3.78 6.28 10.64 -1.25 -4.71 117.38 124.46 2rka n GLN 352 Ca 0.10 0.03 -0.12 0.00 -1.83 0.00 0.00 57.00 55.18 2rka n GLN 352 Cb 0.16 -1.55 -0.08 0.00 -0.86 0.00 0.00 30.24 27.92 2rka n GLN 352 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 2rka s LYS 353 N -3.02 0.72 -1.56 2.61 -2.85 -1.25 -3.29 119.74 111.10 2rka s LYS 353 Ca 0.13 -0.43 -0.15 0.00 -1.00 0.00 0.00 55.97 54.52 2rka s LYS 353 Cb 0.18 0.31 0.11 0.00 -2.06 0.00 0.00 37.83 36.37 2rka s LYS 353 CO 0.55 -0.21 0.84 0.09 0.10 0.00 0.00 175.35 176.72 2rka n ASN 354 N 0.86 -4.18 -4.18 0.03 3.02 -0.26 -4.86 115.26 105.70 2rka n ASN 354 Ca -0.20 -0.80 -0.27 0.00 -0.03 0.00 0.00 54.58 53.29 2rka n ASN 354 Cb 0.58 -3.38 -0.16 0.00 -0.61 0.00 0.00 39.78 36.22 2rka n ASN 354 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2rka s THR 355 N -3.23 1.54 -0.22 3.41 2.01 -1.17 -4.46 115.64 113.51 2rka s THR 355 Ca 0.66 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.77 2rka s THR 355 Cb -0.34 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 2rka s THR 355 CO 0.81 0.44 0.10 -0.63 -0.69 0.00 0.00 174.62 174.65 2rka s ILE 356 N -0.22 4.83 -0.01 1.82 1.01 -0.62 -1.28 121.20 126.73 2rka s ILE 356 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.66 2rka s ILE 356 Cb -0.10 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.10 2rka s ILE 356 CO 0.01 0.38 0.06 -0.36 0.00 0.00 0.00 174.94 175.02 2rka s PHE 357 N 1.03 3.23 -0.10 3.97 0.08 0.74 0.37 117.98 127.29 2rka s PHE 357 Ca 0.05 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.29 2rka s PHE 357 Cb -0.14 -1.73 0.02 0.00 -0.57 0.00 0.00 43.02 40.60 2rka s PHE 357 CO 0.03 0.53 -0.08 0.99 -0.10 0.00 0.00 175.22 176.59 2rka s THR 358 N -1.14 1.02 -1.16 0.64 2.01 -0.20 -0.74 115.64 116.07 2rka s THR 358 Ca 0.21 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2rka s THR 358 Cb -0.12 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.37 2rka s THR 358 CO 0.12 0.36 0.00 0.59 -0.69 0.00 0.00 174.62 175.00 2rka n ASN 359 N 4.71 -4.15 -4.98 3.53 3.02 0.08 -1.29 115.26 116.17 2rka n ASN 359 Ca -0.15 0.09 -0.20 0.00 -0.03 0.00 0.00 54.58 54.30 2rka n ASN 359 Cb 0.50 -3.16 0.02 0.00 -0.61 0.00 0.00 39.78 36.53 2rka n ASN 359 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2rka s VAL 360 N -2.58 3.32 0.48 2.41 -7.23 -1.26 -1.72 120.40 113.82 2rka s VAL 360 Ca 0.00 -0.79 -0.17 0.00 -1.81 0.00 0.00 61.98 59.21 2rka s VAL 360 Cb 0.00 -3.18 -0.08 0.00 0.56 0.00 0.00 36.38 33.67 2rka s VAL 360 CO 0.00 -0.10 0.95 0.00 -0.31 0.00 0.00 175.10 175.64 2rka s ALA 361 N -2.48 3.10 -0.14 1.32 0.00 -0.37 -3.95 121.76 119.22 2rka s ALA 361 Ca 0.52 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.68 2rka s ALA 361 Cb -0.10 -3.07 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 2rka s ALA 361 CO 0.35 -0.12 -0.17 -2.00 0.00 0.00 0.00 175.76 173.82 2rka s GLU 362 N -3.84 3.18 0.55 0.00 2.12 0.06 -1.05 118.70 119.72 2rka s GLU 362 Ca 0.59 -0.77 -0.16 0.00 0.36 0.00 0.00 54.97 54.98 2rka s GLU 362 Cb -0.10 -2.56 -0.06 0.00 0.26 0.00 0.00 34.13 31.67 2rka s GLU 362 CO 0.27 0.04 1.01 0.95 -0.54 0.00 0.00 175.26 177.00 2rka s THR 363 N 0.73 4.24 -0.25 -1.70 -4.23 -0.23 -1.28 115.64 112.93 2rka s THR 363 Ca -0.07 1.07 0.24 0.00 -1.18 0.00 0.00 61.69 61.74 2rka s THR 363 Cb -0.16 -3.59 0.24 0.00 1.34 0.00 0.00 72.50 70.34 2rka s THR 363 CO 0.01 -0.62 1.72 0.77 -0.54 0.00 0.00 174.62 175.96 2rka h SER 364 N 0.72 0.00 -0.63 3.99 4.64 -1.40 0.50 113.55 121.37 2rka h SER 364 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2rka h SER 364 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2rka h SER 364 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 2rka n ASP 365 N -2.31 3.96 0.00 4.97 5.75 -1.26 -4.93 116.55 122.73 2rka n ASP 365 Ca -0.00 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.58 2rka n ASP 365 Cb 0.11 -0.50 0.00 0.00 -1.03 0.00 0.00 41.12 39.70 2rka n ASP 365 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2rka n GLY 366 N 1.32 0.56 1.51 6.12 0.00 0.17 -3.61 105.19 111.26 2rka n GLY 366 Ca 0.23 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 2rka n GLY 366 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rka n GLY 367 N -1.47 2.32 3.59 -0.02 0.00 -1.22 -1.71 105.19 106.67 2rka n GLY 367 Ca 0.00 -2.19 -0.26 0.00 0.00 0.00 0.00 46.02 43.57 2rka n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rka s VAL 368 N -0.65 3.27 -0.05 1.61 -7.23 -1.26 -1.07 120.40 115.01 2rka s VAL 368 Ca 0.19 -1.66 -0.15 0.00 -1.81 0.00 0.00 61.98 58.56 2rka s VAL 368 Cb -0.02 -2.64 0.03 0.00 0.56 0.00 0.00 36.38 34.32 2rka s VAL 368 CO 0.12 -0.14 0.34 -0.47 -0.31 0.00 0.00 175.10 174.64 2rka s TYR 369 N -1.77 -0.27 0.21 2.82 5.04 -0.21 -4.77 117.35 118.40 2rka s TYR 369 Ca 0.26 0.52 -0.19 0.00 -2.44 0.00 0.00 57.07 55.22 2rka s TYR 369 Cb -0.09 0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.37 2rka s TYR 369 CO 0.16 -0.33 0.57 1.67 -1.34 0.00 0.00 175.55 176.27 2rka s TRP 370 N -0.83 -0.16 0.30 4.97 -2.14 -1.26 -1.24 118.94 118.58 2rka s TRP 370 Ca -0.09 -0.19 -0.30 0.00 2.66 0.00 0.00 56.10 58.18 2rka s TRP 370 Cb -0.04 0.46 -0.12 0.00 -3.10 0.00 0.00 33.47 30.67 2rka s TRP 370 CO 0.03 -0.97 1.60 0.39 -2.66 0.00 0.00 176.95 175.34 2rka n GLU 371 N -0.37 2.73 -0.92 3.25 4.71 -1.26 -2.68 120.64 126.10 2rka n GLU 371 Ca -0.09 0.97 0.00 0.00 -0.01 0.00 0.00 57.16 58.03 2rka n GLU 371 Cb 0.62 -2.75 0.00 0.00 -1.01 0.00 0.00 31.44 28.30 2rka n GLU 371 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2rka n GLY 372 N 2.08 0.70 0.28 0.62 0.00 -1.26 -0.29 105.19 107.32 2rka n GLY 372 Ca 0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 2rka n GLY 372 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2rka h ILE 373 N 0.00 0.32 -6.16 -0.61 2.10 -1.66 -3.36 117.51 108.13 2rka h ILE 373 Ca 0.00 -0.43 -0.44 0.00 1.08 0.00 0.00 64.86 65.07 2rka h ILE 373 Cb 0.00 1.32 0.02 0.00 -1.09 0.00 0.00 36.82 37.07 2rka h ILE 373 CO 0.00 0.07 -0.80 -0.67 -1.08 0.00 0.00 178.15 175.67 2rka n ASP 374 N -3.39 -2.79 -3.68 2.19 2.03 -1.26 -4.45 116.55 105.20 2rka n ASP 374 Ca -0.01 -0.79 -0.11 0.00 0.52 0.00 0.00 54.79 54.39 2rka n ASP 374 Cb 0.22 -4.03 -0.12 0.00 -0.72 0.00 0.00 41.12 36.48 2rka n ASP 374 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2rka s GLU 375 N -6.25 0.25 0.57 -0.67 2.12 -1.26 -4.88 118.70 108.59 2rka s GLU 375 Ca 0.28 0.79 -0.18 0.00 0.36 0.00 0.00 54.97 56.23 2rka s GLU 375 Cb -0.14 0.05 -0.05 0.00 0.26 0.00 0.00 34.13 34.25 2rka s GLU 375 CO 0.82 -0.23 1.09 -1.25 -0.54 0.00 0.00 175.26 175.15 2rka s PRO 376 N 2.05 3.30 -0.10 4.30 0.04 -1.26 -5.05 135.00 138.27 2rka s PRO 376 Ca -0.04 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 2rka s PRO 376 Cb -0.11 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2rka s PRO 376 CO -0.11 -0.86 0.04 -0.51 0.04 0.00 0.00 177.00 175.60 2rka s LEU 377 N -4.11 3.76 0.75 -3.56 1.43 -1.26 -5.10 118.68 110.59 2rka s LEU 377 Ca 0.69 0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.84 2rka s LEU 377 Cb -0.20 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.18 2rka s LEU 377 CO 0.31 0.36 1.17 0.00 0.23 0.00 0.00 176.35 178.41 2rka n ALA 378 N 2.29 0.18 -1.61 4.21 0.00 -1.26 -4.89 120.51 119.42 2rka n ALA 378 Ca -0.19 -0.23 -0.49 0.00 0.00 0.00 0.00 53.44 52.54 2rka n ALA 378 Cb 0.54 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.70 2rka n ALA 378 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2rka n PRO 379 N -2.64 1.45 0.00 0.00 -0.02 -1.26 -2.22 135.00 130.32 2rka n PRO 379 Ca 0.14 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2rka n PRO 379 Cb 0.50 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2rka n PRO 379 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2rka n GLY 380 N 2.55 3.06 3.67 -1.23 0.00 -1.26 -5.04 105.19 106.95 2rka n GLY 380 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2rka n GLY 380 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rka s VAL 381 N -2.96 3.78 0.43 1.61 1.01 -0.94 -5.00 120.40 118.33 2rka s VAL 381 Ca 0.00 1.06 0.07 0.00 0.00 0.00 0.00 61.98 63.11 2rka s VAL 381 Cb 0.00 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2rka s VAL 381 CO 0.00 -0.05 0.28 0.42 0.00 0.00 0.00 175.10 175.75 2rka s THR 382 N 3.09 2.36 -0.08 3.92 -4.23 -1.26 -4.92 115.64 114.53 2rka s THR 382 Ca 0.65 -1.54 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 2rka s THR 382 Cb -0.30 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 70.65 2rka s THR 382 CO 0.25 0.00 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.52 2rka s ILE 383 N -2.57 1.55 -0.22 2.99 1.01 -1.26 -1.00 121.20 121.70 2rka s ILE 383 Ca 0.43 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 2rka s ILE 383 Cb 0.00 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2rka s ILE 383 CO 0.24 0.45 0.09 -0.89 0.00 0.00 0.00 174.94 174.83 2rka s THR 384 N 0.47 4.76 0.92 2.92 2.01 -0.41 -0.34 115.64 125.98 2rka s THR 384 Ca -0.16 -0.03 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 2rka s THR 384 Cb -0.16 -3.19 0.14 0.00 0.01 0.00 0.00 72.50 69.30 2rka s THR 384 CO 0.06 0.39 1.14 -0.94 -0.69 0.00 0.00 174.62 174.57 2rka s SER 385 N 0.98 3.41 0.16 3.53 1.04 0.10 -0.76 113.70 122.15 2rka s SER 385 Ca 0.05 0.95 0.15 0.00 0.48 0.00 0.00 55.95 57.57 2rka s SER 385 Cb -0.14 -1.51 0.70 0.00 0.10 0.00 0.00 66.02 65.17 2rka s SER 385 CO 0.03 -2.61 1.45 -2.67 0.98 0.00 0.00 173.24 170.42 2rka n TRP 386 N -3.80 0.41 0.24 5.02 4.27 -0.09 -1.26 117.44 122.23 2rka n TRP 386 Ca 0.07 0.19 0.08 0.00 -3.89 0.00 0.00 57.50 53.95 2rka n TRP 386 Cb 0.59 -0.81 0.24 0.00 -1.36 0.00 0.00 31.31 29.97 2rka n TRP 386 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 2rka n LYS 387 N -1.90 2.41 -3.53 -2.67 5.02 -1.26 -4.71 118.16 111.50 2rka n LYS 387 Ca 0.01 -1.93 -0.19 0.00 -2.02 0.00 0.00 58.31 54.17 2rka n LYS 387 Cb 0.09 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.68 2rka n LYS 387 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2rka n ASN 388 N 0.97 -1.86 -3.99 4.39 5.15 -0.39 -5.04 115.26 114.50 2rka n ASN 388 Ca 0.18 -0.71 -0.09 0.00 -0.60 0.00 0.00 54.58 53.36 2rka n ASN 388 Cb 0.50 -4.69 -0.11 0.00 -0.53 0.00 0.00 39.78 34.96 2rka n ASN 388 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2rka s LYS 389 N -5.58 0.36 0.30 1.20 1.02 -1.25 -4.94 119.74 110.85 2rka s LYS 389 Ca 0.02 -0.68 -0.30 0.00 0.02 0.00 0.00 55.97 55.03 2rka s LYS 389 Cb -0.00 0.13 -0.11 0.00 -0.52 0.00 0.00 37.83 37.32 2rka s LYS 389 CO 0.76 -0.06 1.57 -2.00 -0.92 0.00 0.00 175.35 174.71 2rka s GLU 390 N -1.80 4.13 0.02 1.68 2.56 -1.26 0.00 118.70 124.03 2rka s GLU 390 Ca -0.13 2.56 0.04 0.00 0.00 0.00 0.00 54.97 57.44 2rka s GLU 390 Cb -0.07 -3.02 -0.02 0.00 2.00 0.00 0.00 34.13 33.02 2rka s GLU 390 CO -0.02 -0.61 -0.12 -0.46 -0.56 0.00 0.00 175.26 173.49 2rka s TRP 391 N -0.13 1.04 -0.04 5.30 -0.00 0.54 -4.79 118.94 120.87 2rka s TRP 391 Ca 0.62 -0.28 0.04 0.00 -0.00 0.00 0.00 56.10 56.47 2rka s TRP 391 Cb -0.47 -0.64 -0.00 0.00 -0.00 0.00 0.00 33.47 32.35 2rka s TRP 391 CO 0.49 0.00 -0.14 1.03 -0.00 0.00 0.00 176.95 178.33 2rka s ARG 392 N -0.76 1.47 0.45 5.86 0.52 -1.26 -4.21 118.95 121.02 2rka s ARG 392 Ca 0.02 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 2rka s ARG 392 Cb -0.06 -1.30 0.19 0.00 0.52 0.00 0.00 34.95 34.30 2rka s ARG 392 CO 0.00 0.20 0.97 -1.35 0.02 0.00 0.00 175.30 175.14 2rka h PRO 393 N 6.29 0.00 -0.15 3.54 0.11 -2.00 -0.02 132.00 139.78 2rka h PRO 393 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 2rka h PRO 393 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2rka h PRO 393 CO 0.48 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.31 2rka n GLN 394 N -2.09 1.72 -1.26 1.05 3.00 -1.26 -4.99 117.38 113.55 2rka n GLN 394 Ca -0.00 -1.72 -0.31 0.00 -0.01 0.00 0.00 57.00 54.96 2rka n GLN 394 Cb 0.75 -1.35 0.09 0.00 0.00 0.00 0.00 30.24 29.74 2rka n GLN 394 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2rka s ASP 395 N -1.31 4.48 0.20 1.08 1.11 -0.02 -4.97 116.67 117.24 2rka s ASP 395 Ca 0.24 1.82 0.08 0.00 0.18 0.00 0.00 52.55 54.87 2rka s ASP 395 Cb 0.15 -2.51 0.09 0.00 1.07 0.00 0.00 42.92 41.72 2rka s ASP 395 CO 0.22 -2.05 1.45 -0.08 1.18 0.00 0.00 175.17 175.89 2rka h GLU 396 N -1.14 0.01 -6.43 8.23 4.81 -1.94 -3.45 114.58 114.67 2rka h GLU 396 Ca -0.44 -0.01 -0.54 0.00 -0.13 0.00 0.00 59.36 58.24 2rka h GLU 396 Cb 1.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 2rka h GLU 396 CO 0.51 0.80 0.11 -1.21 -0.73 0.00 0.00 179.01 178.49 2rka s GLU 397 N -3.20 4.44 0.62 1.92 0.41 -1.26 -5.06 118.70 116.57 2rka s GLU 397 Ca -0.00 1.01 -0.19 0.00 -0.41 0.00 0.00 54.97 55.38 2rka s GLU 397 Cb 0.11 -3.24 -0.02 0.00 -1.78 0.00 0.00 34.13 29.20 2rka s GLU 397 CO 0.79 0.59 1.29 -1.25 -0.49 0.00 0.00 175.26 176.19 2rka s PRO 398 N -1.16 2.75 0.24 0.39 0.04 -1.26 -4.95 135.00 131.05 2rka s PRO 398 Ca 0.34 2.06 0.12 0.00 0.04 0.00 0.00 61.00 63.55 2rka s PRO 398 Cb -0.22 -1.94 0.16 0.00 0.04 0.00 0.00 34.50 32.54 2rka s PRO 398 CO 0.24 -1.45 1.49 0.00 0.04 0.00 0.00 177.00 177.32 2rka s ALA 400 N -3.17 2.53 0.35 0.00 0.00 -1.26 -0.92 121.76 119.29 2rka s ALA 400 Ca 0.01 -1.32 -0.28 0.00 0.00 0.00 0.00 51.96 50.37 2rka s ALA 400 Cb 0.10 -0.60 -0.11 0.00 0.00 0.00 0.00 23.12 22.52 2rka s ALA 400 CO 0.77 0.57 1.42 -1.58 0.00 0.00 0.00 175.76 176.93 2rka s HIS 401 N -1.01 2.77 0.61 0.00 2.46 -0.70 -4.87 115.29 114.56 2rka s HIS 401 Ca 0.15 1.24 0.33 0.00 0.47 0.00 0.00 55.06 57.25 2rka s HIS 401 Cb -0.10 -3.89 1.89 0.00 -0.13 0.00 0.00 32.58 30.34 2rka s HIS 401 CO 0.07 -2.58 2.21 -1.35 -2.47 0.00 0.00 174.74 170.61 2rka h PRO 402 N 3.27 0.00 -0.65 2.88 0.11 -1.97 -0.50 132.00 135.13 2rka h PRO 402 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2rka h PRO 402 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2rka h PRO 402 CO 0.66 0.00 0.00 -1.71 -0.21 0.00 0.00 178.00 176.74 2rka n ASN 403 N -3.61 4.93 -4.71 -2.05 5.15 -1.26 -4.71 115.26 109.00 2rka n ASN 403 Ca -0.01 -2.51 -0.32 0.00 -0.60 0.00 0.00 54.58 51.13 2rka n ASN 403 Cb 0.18 -0.60 0.13 0.00 -0.53 0.00 0.00 39.78 38.96 2rka n ASN 403 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2rka s SER 404 N -0.87 3.61 0.04 1.20 1.04 -0.20 -4.87 113.70 113.65 2rka s SER 404 Ca 0.52 2.16 0.02 0.00 0.48 0.00 0.00 55.95 59.12 2rka s SER 404 Cb 0.34 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.88 2rka s SER 404 CO 0.24 -2.64 -0.07 -0.13 0.98 0.00 0.00 173.24 171.62 2rka s ARG 405 N -4.50 0.48 0.04 4.02 1.81 -0.41 -0.80 118.95 119.59 2rka s ARG 405 Ca 0.68 -0.74 0.04 0.00 -1.72 0.00 0.00 55.73 53.98 2rka s ARG 405 Cb -0.23 -0.19 -0.04 0.00 -0.45 0.00 0.00 34.95 34.04 2rka s ARG 405 CO 0.54 0.02 -0.03 -0.59 -0.68 0.00 0.00 175.30 174.56 2rka s PHE 406 N -1.46 2.96 -0.26 -0.53 -0.12 -0.25 -1.03 117.98 117.28 2rka s PHE 406 Ca -0.11 -0.01 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 2rka s PHE 406 Cb -0.10 -1.59 0.08 0.00 -0.63 0.00 0.00 43.02 40.78 2rka s PHE 406 CO -0.00 0.44 0.02 0.00 -0.05 0.00 0.00 175.22 175.62 2rka s THR 408 N 1.47 0.59 0.23 0.00 -1.32 -0.73 -1.58 115.64 114.30 2rka s THR 408 Ca 0.02 -0.41 -0.31 0.00 -1.21 0.00 0.00 61.69 59.77 2rka s THR 408 Cb -0.18 -0.51 -0.11 0.00 -1.51 0.00 0.00 72.50 70.18 2rka s THR 408 CO -0.12 0.10 1.63 -2.84 -2.21 0.00 0.00 174.62 171.18 2rka s PRO 409 N -0.35 4.15 0.32 7.08 0.02 -1.26 -0.83 135.00 144.13 2rka s PRO 409 Ca 0.01 2.54 0.01 0.00 0.02 0.00 0.00 61.00 63.58 2rka s PRO 409 Cb -0.04 -3.07 0.54 0.00 0.02 0.00 0.00 34.50 31.95 2rka s PRO 409 CO -0.00 -0.66 1.93 0.00 -0.33 0.00 0.00 177.00 177.94 2rka h ALA 410 N 5.99 1.41 0.00 -1.55 0.00 -1.67 -2.69 119.26 120.76 2rka h ALA 410 Ca -0.45 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2rka h ALA 410 Cb 1.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2rka h ALA 410 CO 0.88 0.47 0.03 0.66 0.00 0.00 0.00 179.25 181.29 2rka h SER 411 N 0.82 0.00 0.77 0.00 4.64 -1.92 -1.84 113.55 116.03 2rka h SER 411 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2rka h SER 411 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2rka h SER 411 CO -0.03 0.00 -0.41 0.00 -0.87 0.00 0.00 176.83 175.52 2rka n GLN 412 N -2.82 0.11 -1.95 4.77 6.02 -1.01 -4.85 117.38 117.64 2rka n GLN 412 Ca -0.02 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 2rka n GLN 412 Cb 0.09 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 29.74 2rka n GLN 412 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2rka h PRO 414 N 7.52 0.00 -0.20 0.00 0.11 -1.89 -2.32 132.00 135.22 2rka h PRO 414 Ca -0.42 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.61 2rka h PRO 414 Cb 1.20 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 2rka h PRO 414 CO 0.92 0.03 -0.13 0.44 -0.21 0.00 0.00 178.00 179.05 2rka n ILE 415 N -3.21 2.31 -1.73 4.15 -5.35 -1.26 -5.03 119.36 109.24 2rka n ILE 415 Ca -0.01 -2.57 -0.42 0.00 -0.27 0.00 0.00 62.75 59.47 2rka n ILE 415 Cb 0.22 -0.28 -0.02 0.00 -1.74 0.00 0.00 39.64 37.83 2rka n ILE 415 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2rka n ILE 416 N -1.05 0.79 -2.15 7.28 0.13 -0.88 -0.65 119.36 122.83 2rka n ILE 416 Ca 0.25 -0.20 -0.41 0.00 -1.10 0.00 0.00 62.75 61.29 2rka n ILE 416 Cb 0.86 -1.87 -0.02 0.00 -0.84 0.00 0.00 39.64 37.77 2rka n ILE 416 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 2rka s ASP 417 N 0.60 6.82 0.54 9.51 2.15 0.35 -4.73 116.67 131.91 2rka s ASP 417 Ca 0.67 2.61 0.23 0.00 0.43 0.00 0.00 52.55 56.49 2rka s ASP 417 Cb -0.53 -2.64 1.41 0.00 -0.30 0.00 0.00 42.92 40.86 2rka s ASP 417 CO 0.45 -0.52 2.07 1.55 -0.17 0.00 0.00 175.17 178.56 2rka h PRO 418 N 3.90 0.00 -0.61 4.34 0.13 -1.91 -1.34 132.00 136.52 2rka h PRO 418 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2rka h PRO 418 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rka h PRO 418 CO 0.69 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.46 2rka n ALA 419 N -2.55 2.79 0.31 -0.56 0.00 -1.26 -4.54 120.51 114.70 2rka n ALA 419 Ca 0.04 -1.15 0.20 0.00 0.00 0.00 0.00 53.44 52.53 2rka n ALA 419 Cb 0.38 -1.00 1.01 0.00 0.00 0.00 0.00 19.45 19.84 2rka n ALA 419 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2rka h TRP 420 N 3.25 0.00 -0.10 0.00 5.08 -1.58 -2.00 115.95 120.61 2rka h TRP 420 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 2rka h TRP 420 Cb 1.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 2rka h TRP 420 CO 0.53 0.01 0.00 0.39 -1.28 0.00 0.00 178.44 178.10 2rka n GLU 421 N -3.17 2.34 -1.69 0.12 1.02 -1.26 -4.59 120.64 113.42 2rka n GLU 421 Ca -0.02 -1.52 -0.42 0.00 -0.02 0.00 0.00 57.16 55.19 2rka n GLU 421 Cb 0.16 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.46 2rka n GLU 421 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2rka s SER 422 N -0.88 6.42 0.57 1.62 0.15 -0.75 -4.80 113.70 116.02 2rka s SER 422 Ca 0.07 2.76 0.28 0.00 0.70 0.00 0.00 55.95 59.76 2rka s SER 422 Cb 0.04 -2.56 1.70 0.00 -1.71 0.00 0.00 66.02 63.49 2rka s SER 422 CO 0.05 -1.02 2.21 1.55 1.20 0.00 0.00 173.24 177.23 2rka h PRO 423 N 9.06 0.00 0.00 5.44 0.13 -1.95 -2.25 132.00 142.43 2rka h PRO 423 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2rka h PRO 423 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rka h PRO 423 CO 0.95 0.03 -0.41 -0.85 -0.23 0.00 0.00 178.00 177.49 2rka n GLU 424 N -3.88 0.11 0.00 0.86 0.00 -1.26 -4.16 120.64 112.30 2rka n GLU 424 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.17 2rka n GLU 424 Cb 0.11 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 29.98 2rka n GLU 424 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2rka n GLY 425 N 1.44 -0.40 3.77 -1.84 0.00 -0.85 -4.73 105.19 102.59 2rka n GLY 425 Ca 0.05 -1.75 -0.35 0.00 0.00 0.00 0.00 46.02 43.97 2rka n GLY 425 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2rka s VAL 426 N -1.85 4.82 -0.25 1.61 -7.23 0.53 -4.75 120.40 113.28 2rka s VAL 426 Ca 0.00 -0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 59.74 2rka s VAL 426 Cb 0.00 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2rka s VAL 426 CO 0.00 0.54 1.21 -2.84 -0.31 0.00 0.00 175.10 173.70 2rka s PRO 427 N -1.16 4.09 -0.27 4.82 0.02 -1.26 -0.50 135.00 140.73 2rka s PRO 427 Ca 0.16 1.36 -0.23 0.00 0.02 0.00 0.00 61.00 62.31 2rka s PRO 427 Cb -0.12 -3.78 -0.01 0.00 0.02 0.00 0.00 34.50 30.61 2rka s PRO 427 CO 0.06 -0.88 0.75 0.42 -0.33 0.00 0.00 177.00 177.02 2rka s ILE 428 N 3.80 4.87 -0.98 2.83 -1.09 0.10 -3.82 121.20 126.90 2rka s ILE 428 Ca 0.52 1.25 0.16 0.00 -2.23 0.00 0.00 60.65 60.35 2rka s ILE 428 Cb -0.17 -4.07 -0.12 0.00 -1.58 0.00 0.00 42.46 36.52 2rka s ILE 428 CO 0.17 -0.12 0.73 -0.62 -1.23 0.00 0.00 174.94 173.87 2rka n GLU 429 N 6.00 1.75 -3.67 2.79 1.02 -0.60 -4.51 120.64 123.41 2rka n GLU 429 Ca 0.03 -0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 56.77 2rka n GLU 429 Cb 0.48 -1.26 -0.08 0.00 -0.02 0.00 0.00 31.44 30.56 2rka n GLU 429 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2rka s GLY 430 N -2.32 -0.39 -0.08 0.62 0.00 -1.23 -2.33 107.32 101.59 2rka s GLY 430 Ca 0.08 1.18 0.04 0.00 0.00 0.00 0.00 44.72 46.02 2rka s GLY 430 CO 0.58 0.93 -0.21 -0.42 0.00 0.00 0.00 173.10 173.97 2rka s ILE 431 N -0.47 1.83 -0.14 0.90 1.01 0.10 -1.26 121.20 123.17 2rka s ILE 431 Ca -0.06 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.70 2rka s ILE 431 Cb -0.03 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2rka s ILE 431 CO 0.04 0.51 -0.18 -0.63 0.00 0.00 0.00 174.94 174.67 2rka s ILE 432 N 0.28 2.41 0.25 2.92 1.01 0.54 -0.66 121.20 127.95 2rka s ILE 432 Ca -0.14 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.71 2rka s ILE 432 Cb -0.16 -1.99 -0.03 0.00 0.01 0.00 0.00 42.46 40.28 2rka s ILE 432 CO 0.06 0.53 0.25 -0.36 0.00 0.00 0.00 174.94 175.43 2rka s PHE 433 N 0.72 3.21 0.13 3.97 0.08 0.80 -0.77 117.98 126.12 2rka s PHE 433 Ca -0.08 -0.09 -0.25 0.00 0.12 0.00 0.00 56.93 56.63 2rka s PHE 433 Cb -0.16 -1.47 0.07 0.00 -0.57 0.00 0.00 43.02 40.89 2rka s PHE 433 CO 0.01 0.48 0.90 0.20 -0.10 0.00 0.00 175.22 176.71 2rka s GLY 434 N -3.89 -0.30 0.08 4.36 0.00 -1.16 -0.55 107.32 105.86 2rka s GLY 434 Ca 0.34 0.33 -0.27 0.00 0.00 0.00 0.00 44.72 45.11 2rka s GLY 434 CO 0.26 0.09 0.96 -0.32 0.00 0.00 0.00 173.10 174.09 2rka s GLY 435 N -2.82 -0.32 -0.51 0.20 0.00 -1.14 -4.29 107.32 98.45 2rka s GLY 435 Ca 0.10 0.48 -0.20 0.00 0.00 0.00 0.00 44.72 45.09 2rka s GLY 435 CO -0.01 0.13 0.68 -1.60 0.00 0.00 0.00 173.10 172.30 2rka s ARG 436 N -3.16 3.18 -0.25 2.90 3.52 -1.26 -4.42 118.95 119.46 2rka s ARG 436 Ca 0.10 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.99 2rka s ARG 436 Cb -0.01 -4.07 0.07 0.00 -1.56 0.00 0.00 34.95 29.38 2rka s ARG 436 CO -0.02 -1.24 -0.01 1.03 -0.81 0.00 0.00 175.30 174.25 2rka s ARG 437 N 2.88 1.37 0.59 5.12 1.81 -1.26 -0.60 118.95 128.86 2rka s ARG 437 Ca 0.19 -1.03 0.37 0.00 -1.72 0.00 0.00 55.73 53.53 2rka s ARG 437 Cb -0.17 -2.51 1.80 0.00 -0.45 0.00 0.00 34.95 33.61 2rka s ARG 437 CO 0.14 -0.69 2.15 -1.00 -0.68 0.00 0.00 175.30 175.22 2rka h PRO 438 N 7.97 0.00 -4.49 3.54 0.13 -1.95 -3.17 132.00 134.03 2rka h PRO 438 Ca -0.16 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.75 2rka h PRO 438 Cb 1.06 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.01 2rka h PRO 438 CO 0.42 0.03 -0.71 0.00 -0.23 0.00 0.00 178.00 177.51 2rka s ALA 439 N -3.97 0.65 0.00 -0.56 0.00 -1.26 -0.49 121.76 116.13 2rka s ALA 439 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2rka s ALA 439 Cb 0.11 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2rka s ALA 439 CO 0.50 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2rka n GLY 440 N 0.79 1.80 3.58 0.00 0.00 -1.26 -4.95 105.19 105.15 2rka n GLY 440 Ca -0.18 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2rka n GLY 440 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rka s VAL 441 N -0.09 5.15 0.80 1.61 1.01 -1.26 -4.72 120.40 122.91 2rka s VAL 441 Ca 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 2rka s VAL 441 Cb 0.00 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 2rka s VAL 441 CO 0.00 0.04 0.10 -2.65 0.00 0.00 0.00 175.10 172.59 2rka n PRO 442 N 5.39 0.06 -0.19 2.72 -0.02 -1.26 -4.83 135.00 136.88 2rka n PRO 442 Ca -0.08 0.05 -0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2rka n PRO 442 Cb 0.50 -1.53 0.10 0.00 -0.02 0.00 0.00 33.50 32.55 2rka n PRO 442 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2rka h LEU 443 N -0.72 0.04 -7.25 2.45 5.85 -1.69 -3.31 115.31 110.70 2rka h LEU 443 Ca -0.44 0.10 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 2rka h LEU 443 Cb 1.34 0.13 -0.24 0.00 0.37 0.00 0.00 40.66 42.26 2rka h LEU 443 CO 0.36 0.04 -0.17 0.54 -0.34 0.00 0.00 178.44 178.87 2rka s VAL 444 N -6.11 -0.00 0.12 1.05 0.11 -1.26 -0.39 120.40 113.92 2rka s VAL 444 Ca -0.13 0.01 -0.05 0.00 -2.93 0.00 0.00 61.98 58.87 2rka s VAL 444 Cb 0.17 -0.66 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 2rka s VAL 444 CO 0.74 0.00 0.14 -0.72 -3.33 0.00 0.00 175.10 171.93 2rka s TYR 445 N 0.34 0.50 -0.05 1.54 1.13 -0.37 -4.53 117.35 115.92 2rka s TYR 445 Ca -0.01 -0.91 0.06 0.00 -1.41 0.00 0.00 57.07 54.80 2rka s TYR 445 Cb -0.04 -0.24 -0.01 0.00 -1.10 0.00 0.00 41.96 40.57 2rka s TYR 445 CO -0.01 -0.56 -0.25 -2.00 -2.51 0.00 0.00 175.55 170.23 2rka s GLU 446 N -3.96 2.39 0.62 -3.49 2.12 0.14 -0.69 118.70 115.83 2rka s GLU 446 Ca 0.15 -0.88 -0.18 0.00 0.36 0.00 0.00 54.97 54.42 2rka s GLU 446 Cb 0.06 -2.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 2rka s GLU 446 CO -0.04 0.40 1.20 0.00 -0.54 0.00 0.00 175.26 176.29 2rka s ALA 447 N -0.24 2.46 -0.43 6.30 0.00 0.33 -1.04 121.76 129.15 2rka s ALA 447 Ca -0.01 0.95 0.23 0.00 0.00 0.00 0.00 51.96 53.14 2rka s ALA 447 Cb -0.13 -3.45 0.31 0.00 0.00 0.00 0.00 23.12 19.86 2rka s ALA 447 CO 0.03 -1.31 1.54 -0.07 0.00 0.00 0.00 175.76 175.94 2rka h LEU 448 N 0.60 0.00 -7.74 0.00 3.38 -1.89 -3.45 115.31 106.20 2rka h LEU 448 Ca -0.50 -0.00 0.20 0.00 0.09 0.00 0.00 57.88 57.68 2rka h LEU 448 Cb 1.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 2rka h LEU 448 CO 0.54 0.00 0.61 -0.94 0.09 0.00 0.00 178.44 178.74 2rka s SER 449 N -6.02 -0.07 0.13 -0.43 1.04 -1.26 -5.00 113.70 102.09 2rka s SER 449 Ca 0.06 -0.47 -0.18 0.00 0.48 0.00 0.00 55.95 55.83 2rka s SER 449 Cb 0.06 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.59 2rka s SER 449 CO 0.68 -0.82 1.76 -0.25 0.98 0.00 0.00 173.24 175.59 2rka h TRP 450 N 2.00 0.18 -0.54 5.02 2.91 -1.93 -0.62 115.95 122.96 2rka h TRP 450 Ca -0.26 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 59.73 2rka h TRP 450 Cb 1.22 -0.04 -0.02 0.00 -0.51 0.00 0.00 29.16 29.80 2rka h TRP 450 CO 0.86 0.09 0.17 1.96 -1.03 0.00 0.00 178.44 180.50 2rka h GLN 451 N 0.22 0.84 -0.94 2.65 7.50 -1.96 0.04 115.11 123.46 2rka h GLN 451 Ca 0.11 -0.18 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 2rka h GLN 451 Cb 0.06 -0.12 -0.05 0.00 0.05 0.00 0.00 27.48 27.42 2rka h GLN 451 CO -0.10 0.77 0.56 1.25 -1.50 0.00 0.00 178.83 179.80 2rka h HIS 452 N 0.75 1.25 -0.68 2.96 2.76 -1.91 -1.70 115.15 118.58 2rka h HIS 452 Ca 0.18 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.34 2rka h HIS 452 Cb 0.27 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 2rka h HIS 452 CO 0.02 0.83 0.45 0.78 -1.30 0.00 0.00 177.93 178.71 2rka h GLY 453 N 1.30 0.95 1.02 5.26 0.00 -0.02 0.74 103.07 112.33 2rka h GLY 453 Ca 0.34 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 2rka h GLY 453 CO -0.06 0.35 0.31 -2.08 0.00 0.00 0.00 176.54 175.06 2rka h VAL 454 N 0.92 1.24 -0.73 4.60 2.07 -0.78 -1.66 116.25 121.90 2rka h VAL 454 Ca 0.25 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.05 2rka h VAL 454 Cb -0.10 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.02 2rka h VAL 454 CO -0.05 0.30 0.47 0.15 0.02 0.00 0.00 177.57 178.46 2rka h PHE 455 N 1.02 0.88 -0.53 1.57 3.57 -0.75 -1.15 116.94 121.55 2rka h PHE 455 Ca 0.24 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2rka h PHE 455 Cb 0.18 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2rka h PHE 455 CO 0.01 0.52 0.31 0.28 -2.23 0.00 0.00 178.31 177.20 2rka h VAL 456 N 0.92 1.16 -0.33 1.41 2.07 -0.29 0.43 116.25 121.63 2rka h VAL 456 Ca 0.29 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2rka h VAL 456 Cb -0.02 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2rka h VAL 456 CO -0.10 0.17 0.16 1.23 0.02 0.00 0.00 177.57 179.05 2rka h GLY 457 N 0.71 0.43 2.00 2.17 0.00 -1.13 -2.76 103.07 104.49 2rka h GLY 457 Ca 0.19 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2rka h GLY 457 CO -0.03 0.08 -0.15 0.00 0.00 0.00 0.00 176.54 176.44 2rka h ALA 458 N 1.17 1.41 -0.03 3.60 0.00 -0.52 -1.36 119.26 123.54 2rka h ALA 458 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rka h ALA 458 Cb 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2rka h ALA 458 CO -0.10 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.33 2rka n ALA 459 N -2.35 2.55 -1.67 0.00 0.00 0.08 -4.51 120.51 114.61 2rka n ALA 459 Ca -0.02 -0.49 -0.46 0.00 0.00 0.00 0.00 53.44 52.47 2rka n ALA 459 Cb 0.24 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 2rka n ALA 459 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rka n MET 460 N 0.38 2.08 -4.14 0.00 2.81 -1.00 -4.94 117.12 112.31 2rka n MET 460 Ca 0.18 0.75 -0.10 0.00 -1.81 0.00 0.00 57.70 56.72 2rka n MET 460 Cb 0.40 -2.47 -0.10 0.00 -0.71 0.00 0.00 33.22 30.34 2rka n MET 460 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2rka s ARG 461 N 0.40 0.75 -0.18 0.03 0.52 -1.26 -1.48 118.95 117.73 2rka s ARG 461 Ca 0.75 -1.26 -0.27 0.00 -0.52 0.00 0.00 55.73 54.42 2rka s ARG 461 Cb -0.68 -0.11 0.08 0.00 0.52 0.00 0.00 34.95 34.76 2rka s ARG 461 CO 0.43 -0.04 0.74 0.45 0.02 0.00 0.00 175.30 176.90 2rka s SER 462 N -2.90 -0.68 0.23 0.23 0.15 -0.12 -4.31 113.70 106.31 2rka s SER 462 Ca 0.09 1.10 -0.30 0.00 0.70 0.00 0.00 55.95 57.54 2rka s SER 462 Cb 0.05 1.04 -0.09 0.00 -1.71 0.00 0.00 66.02 65.31 2rka s SER 462 CO -0.06 -0.38 1.13 -0.70 1.20 0.00 0.00 173.24 174.44 2rka s GLU 463 N -0.27 4.58 0.26 5.44 2.12 0.24 -0.97 118.70 130.10 2rka s GLU 463 Ca -0.04 1.82 0.01 0.00 0.36 0.00 0.00 54.97 57.12 2rka s GLU 463 Cb -0.03 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 2rka s GLU 463 CO 0.04 0.08 0.24 0.00 -0.54 0.00 0.00 175.26 175.08 2rka s ALA 464 N -0.63 1.32 0.00 6.30 0.00 0.52 -4.85 121.76 124.41 2rka s ALA 464 Ca 0.48 -1.78 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2rka s ALA 464 Cb -0.32 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.19 2rka s ALA 464 CO 0.39 -0.65 0.00 2.41 0.00 0.00 0.00 175.76 177.91 2rka n THR 465 N -0.43 0.00 0.00 0.00 -1.04 -1.26 -1.76 114.28 109.79 2rka n THR 465 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2rka n THR 465 Cb 0.64 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.15 2rka n THR 465 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2rka n LYS 471 N 0.00 0.00 -3.77 -2.82 4.81 -1.26 -4.99 118.16 110.13 2rka n LYS 471 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2rka n LYS 471 Cb 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.05 2rka n LYS 471 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2rka s GLY 472 N 0.00 -0.17 0.11 3.14 0.00 -1.26 -5.18 107.32 103.96 2rka s GLY 472 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.91 2rka s GLY 472 CO 0.00 0.90 -0.10 0.54 0.00 0.00 0.00 173.10 174.44 2rka s LYS 473 N -2.75 2.11 -0.04 2.90 -0.14 -1.26 -5.06 119.74 115.50 2rka s LYS 473 Ca 0.16 -1.04 0.04 0.00 -1.36 0.00 0.00 55.97 53.76 2rka s LYS 473 Cb -0.00 -2.29 -0.00 0.00 -1.68 0.00 0.00 37.83 33.85 2rka s LYS 473 CO 0.02 0.50 -0.15 0.08 -0.76 0.00 0.00 175.35 175.04 2rka s VAL 474 N -1.25 1.29 -0.48 3.17 1.01 -0.72 -5.00 120.40 118.42 2rka s VAL 474 Ca 0.22 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.38 2rka s VAL 474 Cb -0.11 -1.12 0.06 0.00 0.00 0.00 0.00 36.38 35.21 2rka s VAL 474 CO 0.14 0.38 0.52 -0.63 0.00 0.00 0.00 175.10 175.50 2rka s ILE 475 N 0.07 5.03 0.23 2.22 -1.09 -1.26 -0.36 121.20 126.04 2rka s ILE 475 Ca -0.04 -0.66 -0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2rka s ILE 475 Cb -0.11 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 2rka s ILE 475 CO 0.02 -0.67 0.43 -0.32 -1.23 0.00 0.00 174.94 173.17 2rka s MET 476 N 2.22 3.52 -0.05 2.79 1.75 -0.14 -4.84 119.30 124.55 2rka s MET 476 Ca 0.11 -0.33 -0.19 0.00 -1.25 0.00 0.00 55.69 54.03 2rka s MET 476 Cb -0.21 -2.80 -0.05 0.00 2.84 0.00 0.00 34.83 34.62 2rka s MET 476 CO 0.10 0.35 0.53 -1.01 -0.65 0.00 0.00 175.02 174.34 2rka s HIS 477 N -1.96 3.62 -0.42 4.11 3.76 -1.26 -0.94 115.29 122.20 2rka s HIS 477 Ca 0.39 1.06 0.07 0.00 -0.15 0.00 0.00 55.06 56.42 2rka s HIS 477 Cb -0.11 -2.56 0.22 0.00 1.11 0.00 0.00 32.58 31.25 2rka s HIS 477 CO 0.30 0.31 0.55 -3.47 -0.85 0.00 0.00 174.74 171.57 2rka n ASP 478 N 3.03 -0.71 -4.67 1.40 -0.08 -0.55 -4.95 116.55 110.02 2rka n ASP 478 Ca -0.08 -2.72 -0.50 0.00 -1.51 0.00 0.00 54.79 49.98 2rka n ASP 478 Cb 0.51 -0.08 -0.05 0.00 2.34 0.00 0.00 41.12 43.84 2rka n ASP 478 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2rka n PRO 479 N 1.90 1.83 -1.41 -0.67 -0.04 -1.25 -1.67 135.00 133.69 2rka n PRO 479 Ca 0.21 0.67 -0.14 0.00 -0.04 0.00 0.00 63.50 64.20 2rka n PRO 479 Cb 0.53 -2.43 -0.06 0.00 -0.04 0.00 0.00 33.50 31.50 2rka n PRO 479 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2rka n PHE 480 N 4.96 -0.00 -1.88 0.54 3.01 -0.55 -0.75 117.46 122.79 2rka n PHE 480 Ca 0.21 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.50 2rka n PHE 480 Cb 0.25 -3.01 -0.05 0.00 -0.01 0.00 0.00 39.48 36.66 2rka n PHE 480 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2rka n ALA 481 N 1.25 -0.44 0.04 4.37 0.00 -0.67 -4.63 120.51 120.43 2rka n ALA 481 Ca -0.14 0.23 0.05 0.00 0.00 0.00 0.00 53.44 53.58 2rka n ALA 481 Cb 0.63 -1.84 0.11 0.00 0.00 0.00 0.00 19.45 18.35 2rka n ALA 481 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2rka n MET 482 N -2.48 2.07 -0.22 0.00 2.81 0.07 -4.76 117.12 114.61 2rka n MET 482 Ca -0.19 -1.72 0.03 0.00 -1.81 0.00 0.00 57.70 54.01 2rka n MET 482 Cb 0.61 -1.24 0.14 0.00 -0.71 0.00 0.00 33.22 32.03 2rka n MET 482 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2rka h ARG 483 N 1.97 0.30 -0.01 0.03 2.43 -1.85 0.45 114.38 117.70 2rka h ARG 483 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2rka h ARG 483 Cb 0.63 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2rka h ARG 483 CO 0.00 0.20 0.00 -2.30 -1.51 0.00 0.00 179.97 176.36 2rka n PRO 484 N -5.10 1.09 0.00 0.20 -0.02 -1.26 -4.32 135.00 125.59 2rka n PRO 484 Ca 0.11 -0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2rka n PRO 484 Cb 0.37 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 2rka n PRO 484 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2rka n PHE 485 N -0.74 0.00 -1.68 6.00 3.72 0.15 -5.03 117.46 119.89 2rka n PHE 485 Ca 0.19 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 57.11 2rka n PHE 485 Cb 0.12 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.62 2rka n PHE 485 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2rka n PHE 486 N -0.38 2.30 1.04 1.38 3.72 -0.78 -3.71 117.46 121.03 2rka n PHE 486 Ca 0.00 0.10 0.14 0.00 -0.05 0.00 0.00 57.45 57.64 2rka n PHE 486 Cb 0.03 -2.62 0.59 0.00 -0.94 0.00 0.00 39.48 36.55 2rka n PHE 486 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rka n GLY 487 N 4.03 -1.45 3.81 1.37 0.00 -1.25 -4.91 105.19 106.79 2rka n GLY 487 Ca 0.21 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2rka n GLY 487 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2rka s TYR 488 N -2.96 0.12 -0.39 1.61 1.13 -1.26 -4.73 117.35 110.87 2rka s TYR 488 Ca 0.15 -0.80 -0.42 0.00 -1.41 0.00 0.00 57.07 54.59 2rka s TYR 488 Cb 0.19 0.84 -0.17 0.00 -1.10 0.00 0.00 41.96 41.72 2rka s TYR 488 CO 0.54 -1.56 1.80 -1.71 -2.51 0.00 0.00 175.55 172.10 2rka n ASN 489 N -1.42 1.78 0.02 -0.18 2.85 -0.54 -4.72 115.26 113.06 2rka n ASN 489 Ca -0.08 0.99 0.01 0.00 -0.11 0.00 0.00 54.58 55.40 2rka n ASN 489 Cb 0.60 -1.04 0.35 0.00 1.24 0.00 0.00 39.78 40.93 2rka n ASN 489 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 2rka h PHE 490 N 7.27 0.48 -0.57 1.20 3.57 -1.90 -0.63 116.94 126.36 2rka h PHE 490 Ca -0.39 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.08 2rka h PHE 490 Cb 1.35 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.91 2rka h PHE 490 CO 0.78 0.45 0.38 0.78 -2.23 0.00 0.00 178.31 178.46 2rka h GLY 491 N 0.73 0.80 2.00 2.40 0.00 -1.90 -0.74 103.07 106.37 2rka h GLY 491 Ca 0.11 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.06 2rka h GLY 491 CO 0.00 0.30 -0.36 0.50 0.00 0.00 0.00 176.54 176.97 2rka h LYS 492 N 0.77 0.00 -0.45 4.80 1.79 -1.56 -1.37 116.57 120.55 2rka h LYS 492 Ca 0.21 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.60 2rka h LYS 492 Cb -0.09 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 2rka h LYS 492 CO -0.04 0.36 -0.03 -0.92 -1.08 0.00 0.00 179.45 177.74 2rka h TYR 493 N 0.00 0.90 -0.57 -1.35 5.03 -0.58 -0.95 116.97 119.45 2rka h TYR 493 Ca -0.00 -0.17 -0.02 0.00 2.58 0.00 0.00 58.73 61.12 2rka h TYR 493 Cb 0.66 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.68 2rka h TYR 493 CO 0.00 0.88 0.30 -0.07 -1.32 0.00 0.00 178.16 177.95 2rka h LEU 494 N 0.67 0.73 -1.11 2.82 3.38 -0.76 -1.54 115.31 119.50 2rka h LEU 494 Ca 0.13 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2rka h LEU 494 Cb 0.54 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2rka h LEU 494 CO 0.03 0.63 0.60 0.00 0.09 0.00 0.00 178.44 179.80 2rka h ALA 495 N 1.13 1.41 -0.04 1.53 0.00 -1.12 -0.64 119.26 121.52 2rka h ALA 495 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2rka h ALA 495 Cb 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2rka h ALA 495 CO -0.03 0.51 0.02 1.25 0.00 0.00 0.00 179.25 181.00 2rka h HIS 496 N 1.17 0.07 -0.24 0.00 -0.00 -0.79 -0.79 115.15 114.56 2rka h HIS 496 Ca 0.36 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.77 2rka h HIS 496 Cb -0.01 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.34 2rka h HIS 496 CO -0.00 0.21 -0.04 -1.49 -0.00 0.00 0.00 177.93 176.61 2rka h TRP 497 N -0.10 -0.09 -0.75 5.26 4.06 -1.07 -2.59 115.95 120.67 2rka h TRP 497 Ca 0.01 0.02 0.10 0.00 2.06 0.00 0.00 58.89 61.08 2rka h TRP 497 Cb 0.17 0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 28.36 2rka h TRP 497 CO -0.02 -0.09 0.50 -0.07 -3.56 0.00 0.00 178.44 175.20 2rka h LEU 498 N 0.02 0.60 -2.34 -4.49 3.38 -1.00 -2.69 115.31 108.80 2rka h LEU 498 Ca 0.12 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2rka h LEU 498 Cb 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2rka h LEU 498 CO -0.24 0.36 -0.01 0.77 0.09 0.00 0.00 178.44 179.41 2rka h SER 499 N 0.67 0.00 -0.48 -0.43 4.64 -0.72 -2.44 113.55 114.79 2rka h SER 499 Ca 0.35 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2rka h SER 499 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 2rka h SER 499 CO -0.13 0.01 0.27 0.24 -0.87 0.00 0.00 176.83 176.36 2rka h MET 500 N 0.00 0.69 0.00 4.77 2.86 -1.48 -1.92 114.93 119.85 2rka h MET 500 Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2rka h MET 500 Cb 0.21 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.73 2rka h MET 500 CO 0.00 0.52 0.00 0.00 1.06 0.00 0.00 176.91 178.49 2rka h ALA 501 N 1.60 1.00 -0.66 6.32 0.00 -1.63 -2.47 119.26 123.42 2rka h ALA 501 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2rka h ALA 501 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2rka h ALA 501 CO -0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.94 2rka n HIS 502 N -2.62 0.88 -3.11 0.00 8.25 -0.72 -4.86 115.22 113.04 2rka n HIS 502 Ca 0.00 -0.44 -0.41 0.00 -0.26 0.00 0.00 57.72 56.61 2rka n HIS 502 Cb 0.20 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.25 2rka n HIS 502 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2rka s ARG 503 N -1.12 3.88 0.31 -0.41 3.52 -0.93 -5.04 118.95 119.16 2rka s ARG 503 Ca 0.46 0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 56.05 2rka s ARG 503 Cb 0.25 -3.74 -0.12 0.00 -1.56 0.00 0.00 34.95 29.78 2rka s ARG 503 CO 0.33 -0.60 1.56 -2.30 -0.81 0.00 0.00 175.30 173.48 2rka n PRO 504 N 5.92 2.67 0.00 5.12 -0.02 -1.26 -2.60 135.00 144.82 2rka n PRO 504 Ca -0.01 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2rka n PRO 504 Cb 0.49 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 2rka n PRO 504 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2rka n ALA 505 N 1.70 0.00 -1.67 3.55 0.00 -1.26 -4.96 120.51 117.87 2rka n ALA 505 Ca 0.07 0.00 -0.49 0.00 0.00 0.00 0.00 53.44 53.02 2rka n ALA 505 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 2rka n ALA 505 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rka n ALA 506 N -0.13 0.65 -3.00 0.00 0.00 -1.07 -4.34 120.51 112.61 2rka n ALA 506 Ca 0.00 0.39 -0.44 0.00 0.00 0.00 0.00 53.44 53.39 2rka n ALA 506 Cb 0.00 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.07 2rka n ALA 506 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rka s LYS 507 N 2.30 3.30 -0.04 0.00 1.02 0.75 -5.02 119.74 122.05 2rka s LYS 507 Ca 0.87 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 55.10 2rka s LYS 507 Cb -0.77 -4.50 -0.04 0.00 -0.52 0.00 0.00 37.83 32.00 2rka s LYS 507 CO 0.48 -1.67 1.34 -0.51 -0.92 0.00 0.00 175.35 174.06 2rka s LEU 508 N 2.80 4.29 0.69 3.17 1.43 -1.26 -4.52 118.68 125.28 2rka s LEU 508 Ca 0.22 1.98 -0.15 0.00 -1.03 0.00 0.00 54.13 55.15 2rka s LEU 508 Cb -0.14 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.54 2rka s LEU 508 CO 0.00 -0.69 1.13 -2.16 0.23 0.00 0.00 176.35 174.86 2rka s PRO 509 N 2.56 2.58 0.47 1.29 0.04 -1.26 -4.99 135.00 135.68 2rka s PRO 509 Ca 0.61 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.90 2rka s PRO 509 Cb -0.28 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 2rka s PRO 509 CO 0.24 -1.44 1.24 0.21 0.04 0.00 0.00 177.00 177.29 2rka s LYS 510 N -4.08 3.65 -0.12 4.56 2.20 -0.99 -4.80 119.74 120.17 2rka s LYS 510 Ca 0.69 1.95 0.02 0.00 -0.36 0.00 0.00 55.97 58.27 2rka s LYS 510 Cb -0.23 -2.44 -0.00 0.00 -1.51 0.00 0.00 37.83 33.65 2rka s LYS 510 CO 0.43 -0.69 -0.19 0.42 -0.36 0.00 0.00 175.35 174.96 2rka s ILE 511 N -1.43 2.48 0.21 5.43 1.01 -1.26 -0.72 121.20 126.91 2rka s ILE 511 Ca 0.64 -0.86 0.10 0.00 0.00 0.00 0.00 60.65 60.53 2rka s ILE 511 Cb -0.33 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.10 2rka s ILE 511 CO 0.40 0.54 -0.19 -0.36 0.00 0.00 0.00 174.94 175.33 2rka s PHE 512 N 0.45 2.03 -0.03 3.97 0.40 0.16 -0.51 117.98 124.46 2rka s PHE 512 Ca -0.14 -0.43 0.04 0.00 -0.60 0.00 0.00 56.93 55.81 2rka s PHE 512 Cb -0.17 -0.96 -0.00 0.00 0.51 0.00 0.00 43.02 42.40 2rka s PHE 512 CO 0.06 0.48 -0.15 -1.58 0.70 0.00 0.00 175.22 174.74 2rka s HIS 513 N -2.28 1.42 0.14 0.36 2.46 0.14 -0.14 115.29 117.38 2rka s HIS 513 Ca 0.22 -0.35 0.09 0.00 0.47 0.00 0.00 55.06 55.49 2rka s HIS 513 Cb -0.05 -0.95 -0.04 0.00 -0.13 0.00 0.00 32.58 31.41 2rka s HIS 513 CO 0.10 -0.10 -0.22 0.14 -2.47 0.00 0.00 174.74 172.19 2rka s VAL 514 N -0.06 1.94 -0.29 0.89 -7.23 0.28 -1.24 120.40 114.69 2rka s VAL 514 Ca -0.00 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.38 2rka s VAL 514 Cb -0.09 -1.79 0.10 0.00 0.56 0.00 0.00 36.38 35.16 2rka s VAL 514 CO 0.01 -0.10 0.13 0.21 -0.31 0.00 0.00 175.10 175.04 2rka s ASN 515 N -2.23 3.50 0.00 4.85 3.04 0.48 -2.86 114.94 121.72 2rka s ASN 515 Ca 0.12 -1.30 0.25 0.00 0.04 0.00 0.00 52.86 51.97 2rka s ASN 515 Cb -0.09 -0.34 1.08 0.00 -1.54 0.00 0.00 41.25 40.37 2rka s ASN 515 CO 0.06 -0.44 1.80 0.79 -3.04 0.00 0.00 177.10 176.27 2rka n TRP 516 N 5.23 0.00 -0.90 0.43 5.03 -1.26 -4.26 117.44 121.71 2rka n TRP 516 Ca -0.06 0.00 0.08 0.00 3.03 0.00 0.00 57.50 60.56 2rka n TRP 516 Cb 0.42 -0.47 0.21 0.00 -1.03 0.00 0.00 31.31 30.45 2rka n TRP 516 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 2rka n PHE 517 N -1.47 0.65 -2.15 -5.99 3.72 -1.26 -4.58 117.46 106.37 2rka n PHE 517 Ca 0.07 -0.86 -0.42 0.00 -0.05 0.00 0.00 57.45 56.19 2rka n PHE 517 Cb 0.27 -0.24 -0.03 0.00 -0.94 0.00 0.00 39.48 38.54 2rka n PHE 517 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2rka s ARG 518 N -2.61 4.34 0.13 -1.08 3.52 -1.20 -3.84 118.95 118.21 2rka s ARG 518 Ca 0.37 2.12 0.08 0.00 -0.13 0.00 0.00 55.73 58.17 2rka s ARG 518 Cb 0.30 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.45 2rka s ARG 518 CO 0.08 -0.36 -0.13 0.15 -0.81 0.00 0.00 175.30 174.23 2rka s LYS 519 N 0.30 1.98 0.43 5.12 1.02 0.35 -0.55 119.74 128.38 2rka s LYS 519 Ca 0.60 -1.16 -0.07 0.00 0.02 0.00 0.00 55.97 55.36 2rka s LYS 519 Cb -0.38 -2.19 0.10 0.00 -0.52 0.00 0.00 37.83 34.84 2rka s LYS 519 CO 0.36 0.47 0.58 -0.40 -0.92 0.00 0.00 175.35 175.45 2rka n ASP 520 N 0.53 0.03 -0.32 2.83 5.68 0.33 -4.72 116.55 120.91 2rka n ASP 520 Ca -0.13 -1.21 0.10 0.00 -0.50 0.00 0.00 54.79 53.05 2rka n ASP 520 Cb 0.53 -0.44 0.31 0.00 -1.14 0.00 0.00 41.12 40.38 2rka n ASP 520 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2rka h LYS 521 N 0.00 0.81 -0.02 0.11 1.79 -1.97 -1.62 116.57 115.67 2rka h LYS 521 Ca -0.19 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2rka h LYS 521 Cb 0.52 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.98 2rka h LYS 521 CO 0.13 0.54 0.00 0.09 -1.08 0.00 0.00 179.45 179.13 2rka n ASN 522 N -4.60 0.31 -0.14 0.86 3.02 -1.26 -4.88 115.26 108.57 2rka n ASN 522 Ca 0.19 -1.36 -0.02 0.00 -0.03 0.00 0.00 54.58 53.36 2rka n ASN 522 Cb 0.43 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.58 2rka n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rka n GLY 523 N 0.91 0.50 3.74 7.41 0.00 -0.61 -5.04 105.19 112.10 2rka n GLY 523 Ca 0.17 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.83 2rka n GLY 523 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2rka s LYS 524 N -2.32 4.24 0.33 1.61 2.20 -1.26 -4.80 119.74 119.74 2rka s LYS 524 Ca 0.00 0.31 -0.29 0.00 -0.36 0.00 0.00 55.97 55.63 2rka s LYS 524 Cb 0.00 -3.40 -0.12 0.00 -1.51 0.00 0.00 37.83 32.81 2rka s LYS 524 CO 0.00 0.27 1.46 1.19 -0.36 0.00 0.00 175.35 177.92 2rka n PHE 525 N 3.34 2.71 0.21 4.03 3.01 -1.26 -0.52 117.46 128.98 2rka n PHE 525 Ca -0.10 0.42 0.12 0.00 1.01 0.00 0.00 57.45 58.90 2rka n PHE 525 Cb 0.52 -2.51 0.09 0.00 -0.01 0.00 0.00 39.48 37.57 2rka n PHE 525 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 2rka h LEU 526 N 3.45 0.00 -8.09 4.37 3.38 -1.16 -3.46 115.31 113.80 2rka h LEU 526 Ca -0.48 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 56.91 2rka h LEU 526 Cb 1.25 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.67 2rka h LEU 526 CO 0.69 0.01 -0.83 0.86 0.09 0.00 0.00 178.44 179.25 2rka s TRP 527 N -3.28 1.76 0.39 1.13 -0.11 -1.26 -4.64 118.94 112.93 2rka s TRP 527 Ca 0.03 -0.67 0.30 0.00 1.22 0.00 0.00 56.10 56.98 2rka s TRP 527 Cb 0.08 -1.24 1.50 0.00 -1.50 0.00 0.00 33.47 32.32 2rka s TRP 527 CO 0.73 -0.31 2.08 -1.00 -4.62 0.00 0.00 176.95 173.83 2rka h PRO 528 N 6.86 0.00 0.00 5.86 0.13 -1.90 -3.48 132.00 139.47 2rka h PRO 528 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2rka h PRO 528 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2rka h PRO 528 CO 0.47 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 2rka n GLY 529 N -0.59 0.99 7.00 1.56 0.00 -1.26 -4.89 105.19 107.99 2rka n GLY 529 Ca -0.02 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2rka n GLY 529 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rka n PHE 530 N 0.00 0.00 0.24 1.61 3.72 -1.26 -1.50 117.46 120.27 2rka n PHE 530 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2rka n PHE 530 Cb 0.00 0.01 0.64 0.00 -0.94 0.00 0.00 39.48 39.18 2rka n PHE 530 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2rka h GLY 531 N 0.00 0.00 2.00 1.37 0.00 -1.87 0.24 103.07 104.80 2rka h GLY 531 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2rka h GLY 531 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 176.54 177.37 2rka h GLU 532 N 0.00 0.00 0.00 4.80 4.39 -1.57 -2.18 114.58 120.01 2rka h GLU 532 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2rka h GLU 532 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2rka h GLU 532 CO 0.00 0.00 0.00 -0.91 -1.16 0.00 0.00 179.01 176.94 2rka h ASN 533 N 0.00 0.00 -0.09 1.42 2.35 -1.04 -1.82 115.58 116.40 2rka h ASN 533 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2rka h ASN 533 Cb 0.76 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.12 2rka h ASN 533 CO 0.00 0.00 0.10 0.77 -1.65 0.00 0.00 177.43 176.65 2rka h SER 534 N 0.00 0.00 -0.14 5.81 4.64 -1.69 -1.67 113.55 120.50 2rka h SER 534 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2rka h SER 534 Cb 0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 2rka h SER 534 CO 0.00 0.00 -0.30 0.03 -0.87 0.00 0.00 176.83 175.69 2rka h ARG 535 N 0.00 0.62 -0.16 4.77 3.08 -1.58 -1.65 114.38 119.46 2rka h ARG 535 Ca 0.04 -0.27 -0.22 0.00 0.07 0.00 0.00 59.98 59.60 2rka h ARG 535 Cb 0.23 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.28 2rka h ARG 535 CO -0.00 0.85 -0.74 0.28 -1.07 0.00 0.00 179.97 179.29 2rka h VAL 536 N 0.53 1.28 -0.71 2.04 2.07 -1.51 -3.16 116.25 116.80 2rka h VAL 536 Ca 0.06 -1.94 0.01 0.00 0.82 0.00 0.00 66.70 65.66 2rka h VAL 536 Cb 0.79 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.48 2rka h VAL 536 CO 0.06 0.62 0.47 -0.07 0.02 0.00 0.00 177.57 178.67 2rka h LEU 537 N 0.53 0.80 -0.31 2.57 3.38 -1.31 -2.23 115.31 118.74 2rka h LEU 537 Ca -0.05 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2rka h LEU 537 Cb 1.37 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 2rka h LEU 537 CO 0.15 0.58 0.14 -0.08 0.09 0.00 0.00 178.44 179.32 2rka h GLU 538 N 0.94 0.29 -0.44 1.13 4.81 -1.30 -0.73 114.58 119.29 2rka h GLU 538 Ca 0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2rka h GLU 538 Cb -0.08 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 2rka h GLU 538 CO -0.06 0.19 0.28 2.35 -0.73 0.00 0.00 179.01 181.04 2rka h TRP 539 N 0.29 0.56 -0.60 0.92 7.01 -1.42 -1.34 115.95 121.37 2rka h TRP 539 Ca 0.13 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.19 2rka h TRP 539 Cb 0.06 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 26.89 2rka h TRP 539 CO -0.11 0.36 0.33 0.52 -2.79 0.00 0.00 178.44 176.75 2rka h MET 540 N 0.59 0.60 -0.33 2.65 2.86 -1.15 -0.38 114.93 119.76 2rka h MET 540 Ca 0.16 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 2rka h MET 540 Cb -0.05 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 2rka h MET 540 CO -0.03 0.40 0.20 0.35 1.06 0.00 0.00 176.91 178.89 2rka h PHE 541 N 0.62 0.38 -0.63 -0.22 3.04 -0.73 -0.92 116.94 118.48 2rka h PHE 541 Ca 0.26 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.23 2rka h PHE 541 Cb 0.15 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 2rka h PHE 541 CO -0.09 0.23 0.42 0.78 -2.02 0.00 0.00 178.31 177.63 2rka h GLY 542 N 0.41 0.89 0.96 2.40 0.00 -0.92 -2.14 103.07 104.67 2rka h GLY 542 Ca 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2rka h GLY 542 CO -0.05 0.32 0.19 3.21 0.00 0.00 0.00 176.54 180.22 2rka h ARG 543 N 0.85 0.67 -0.53 4.80 2.47 -0.70 -1.26 114.38 120.68 2rka h ARG 543 Ca 0.23 -0.11 0.10 0.00 -1.26 0.00 0.00 59.98 58.94 2rka h ARG 543 Cb -0.10 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.08 2rka h ARG 543 CO -0.05 0.59 0.36 0.82 0.56 0.00 0.00 179.97 182.26 2rka h ILE 544 N 0.59 0.88 0.00 2.04 2.04 -1.05 -0.62 117.51 121.39 2rka h ILE 544 Ca 0.15 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.91 2rka h ILE 544 Cb 0.17 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2rka h ILE 544 CO -0.01 0.06 0.00 -0.33 0.00 0.00 0.00 178.15 177.86 2rka h GLU 545 N 0.31 0.00 0.00 2.37 4.39 -0.63 -3.47 114.58 117.55 2rka h GLU 545 Ca 0.25 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.95 2rka h GLU 545 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2rka h GLU 545 CO -0.06 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.20 2rka n GLY 546 N 0.66 1.10 3.75 -3.84 0.00 -0.24 -5.07 105.19 101.55 2rka n GLY 546 Ca 0.03 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2rka n GLY 546 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rka s GLU 547 N -0.47 4.43 -1.09 1.61 2.02 -0.57 -4.90 118.70 119.73 2rka s GLU 547 Ca 0.00 2.04 -0.11 0.00 0.02 0.00 0.00 54.97 56.92 2rka s GLU 547 Cb 0.00 -3.17 -0.07 0.00 0.10 0.00 0.00 34.13 30.99 2rka s GLU 547 CO 0.00 -0.15 2.25 -3.47 0.02 0.00 0.00 175.26 173.91 2rka n ASP 548 N 1.95 5.03 -0.23 -0.19 2.03 -1.26 -4.45 116.55 119.44 2rka n ASP 548 Ca 0.03 -2.51 0.05 0.00 0.52 0.00 0.00 54.79 52.88 2rka n ASP 548 Cb 0.43 -1.26 0.10 0.00 -0.72 0.00 0.00 41.12 39.67 2rka n ASP 548 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2rka n SER 549 N 5.04 2.49 -4.37 1.67 3.41 -1.26 -5.02 113.62 115.59 2rka n SER 549 Ca 0.53 -2.48 -0.30 0.00 -0.26 0.00 0.00 58.87 56.37 2rka n SER 549 Cb 0.24 -0.24 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 2rka n SER 549 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2rka s ALA 550 N -1.84 2.33 -0.10 7.33 0.00 -1.26 -1.26 121.76 126.97 2rka s ALA 550 Ca 0.19 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.85 2rka s ALA 550 Cb 0.15 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2rka s ALA 550 CO 0.04 0.54 -0.19 0.21 0.00 0.00 0.00 175.76 176.36 2rka s LYS 551 N -1.55 3.04 0.17 0.00 2.20 0.29 -4.75 119.74 119.13 2rka s LYS 551 Ca 0.13 -0.79 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 2rka s LYS 551 Cb -0.10 -2.41 -0.08 0.00 -1.51 0.00 0.00 37.83 33.73 2rka s LYS 551 CO 0.04 0.27 1.12 -1.17 -0.36 0.00 0.00 175.35 175.25 2rka s LEU 552 N 0.15 4.48 0.28 5.43 2.96 -1.26 -1.24 118.68 129.47 2rka s LEU 552 Ca -0.10 2.11 0.02 0.00 -0.22 0.00 0.00 54.13 55.93 2rka s LEU 552 Cb -0.16 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 2rka s LEU 552 CO 0.06 -0.25 0.10 0.42 -1.32 0.00 0.00 176.35 175.36 2rka s THR 553 N -0.17 0.60 0.58 3.68 -4.23 -0.33 -4.93 115.64 110.84 2rka s THR 553 Ca 0.50 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.28 2rka s THR 553 Cb -0.30 -2.63 0.35 0.00 1.34 0.00 0.00 72.50 71.26 2rka s THR 553 CO 0.35 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 175.93 2rka h PRO 554 N 2.31 0.00 -0.02 3.99 0.11 -1.97 -2.64 132.00 133.79 2rka h PRO 554 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 2rka h PRO 554 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2rka h PRO 554 CO 0.61 0.00 -0.40 0.44 -0.21 0.00 0.00 178.00 178.44 2rka n ILE 555 N -3.94 0.00 0.00 4.15 -5.35 -1.26 -4.81 119.36 108.15 2rka n ILE 555 Ca 0.00 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2rka n ILE 555 Cb 0.24 1.11 0.00 0.00 -1.74 0.00 0.00 39.64 39.25 2rka n ILE 555 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2rka n GLY 556 N 1.40 0.79 3.74 3.28 0.00 -0.99 -4.86 105.19 108.54 2rka n GLY 556 Ca 0.10 -2.03 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 2rka n GLY 556 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2rka s TYR 557 N -1.36 3.84 0.34 1.61 1.51 -0.20 -1.19 117.35 121.90 2rka s TYR 557 Ca 0.00 1.74 0.10 0.00 -1.01 0.00 0.00 57.07 57.90 2rka s TYR 557 Cb 0.00 -2.96 -0.06 0.00 -0.11 0.00 0.00 41.96 38.82 2rka s TYR 557 CO 0.00 0.30 -0.08 0.14 -1.11 0.00 0.00 175.55 174.81 2rka s VAL 558 N -0.37 2.37 0.46 0.71 -7.23 -0.37 0.23 120.40 116.21 2rka s VAL 558 Ca 0.43 -2.16 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 2rka s VAL 558 Cb -0.23 -2.66 -0.08 0.00 0.56 0.00 0.00 36.38 33.97 2rka s VAL 558 CO 0.29 -0.22 1.41 -2.84 -0.31 0.00 0.00 175.10 173.43 2rka s PRO 559 N -3.63 3.61 0.93 4.82 0.02 -1.26 -0.55 135.00 138.94 2rka s PRO 559 Ca 0.33 2.39 -0.11 0.00 0.02 0.00 0.00 61.00 63.63 2rka s PRO 559 Cb 0.01 -2.60 0.15 0.00 0.02 0.00 0.00 34.50 32.09 2rka s PRO 559 CO 0.17 -0.87 1.12 0.15 -0.33 0.00 0.00 177.00 177.25 2rka s LYS 560 N -2.52 0.91 0.14 5.54 1.02 -0.39 -4.60 119.74 119.86 2rka s LYS 560 Ca 0.62 1.38 -0.34 0.00 0.02 0.00 0.00 55.97 57.65 2rka s LYS 560 Cb -0.43 -1.73 -0.15 0.00 -0.52 0.00 0.00 37.83 35.01 2rka s LYS 560 CO 0.55 -2.65 1.52 -1.91 -0.92 0.00 0.00 175.35 171.94 2rka n GLU 561 N -4.23 1.91 -0.58 1.68 2.13 -1.26 -1.92 120.64 118.37 2rka n GLU 561 Ca 0.10 0.69 0.00 0.00 0.66 0.00 0.00 57.16 58.61 2rka n GLU 561 Cb 0.53 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.81 2rka n GLU 561 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2rka n ASP 562 N 3.18 0.00 0.10 4.31 8.00 -1.26 -4.87 116.55 126.00 2rka n ASP 562 Ca 0.17 0.00 -0.05 0.00 0.71 0.00 0.00 54.79 55.63 2rka n ASP 562 Cb 0.26 -0.62 0.11 0.00 -0.02 0.00 0.00 41.12 40.86 2rka n ASP 562 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2rka h ALA 563 N 0.00 0.83 -2.48 2.24 0.00 -1.73 -3.43 119.26 114.69 2rka h ALA 563 Ca 0.00 -0.58 -0.58 0.00 0.00 0.00 0.00 54.91 53.76 2rka h ALA 563 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2rka h ALA 563 CO 0.00 0.77 0.28 -1.17 0.00 0.00 0.00 179.25 179.13 2rka s LEU 564 N -7.77 4.20 -0.44 0.00 2.96 -1.26 -4.93 118.68 111.45 2rka s LEU 564 Ca -0.03 1.12 -0.28 0.00 -0.22 0.00 0.00 54.13 54.72 2rka s LEU 564 Cb 0.12 -3.14 -0.02 0.00 0.50 0.00 0.00 46.19 43.64 2rka s LEU 564 CO 0.79 -0.32 1.88 0.21 -1.32 0.00 0.00 176.35 177.60 2rka s ASN 565 N 1.10 5.54 -0.17 3.68 3.84 -1.26 -4.82 114.94 122.85 2rka s ASN 565 Ca 0.36 0.97 0.17 0.00 0.21 0.00 0.00 52.86 54.57 2rka s ASN 565 Cb -0.17 -2.52 0.46 0.00 -0.55 0.00 0.00 41.25 38.47 2rka s ASN 565 CO 0.13 -2.05 1.35 0.18 -2.79 0.00 0.00 177.10 173.93 2rka n LEU 566 N 11.65 3.48 -4.72 3.21 4.77 -1.26 -4.88 117.00 129.26 2rka n LEU 566 Ca 0.23 -3.08 -0.42 0.00 -0.03 0.00 0.00 56.01 52.71 2rka n LEU 566 Cb 0.49 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2rka n LEU 566 CO 0.69 0.72 1.22 -0.54 -1.33 0.00 0.00 177.39 178.15 2rka s LYS 567 N -2.87 4.22 0.00 3.23 1.02 -1.26 -1.75 119.74 122.33 2rka s LYS 567 Ca 0.40 2.34 0.00 0.00 0.02 0.00 0.00 55.97 58.73 2rka s LYS 567 Cb 0.33 -3.18 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2rka s LYS 567 CO 0.07 -0.60 0.00 0.41 -0.92 0.00 0.00 175.35 174.31 2rka n GLY 568 N 3.75 3.36 2.34 -3.33 0.00 -1.26 -4.93 105.19 105.11 2rka n GLY 568 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2rka n GLY 568 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2rka n LEU 569 N 0.00 -0.40 -0.51 0.99 -0.00 -0.72 -4.94 117.00 111.42 2rka n LEU 569 Ca 0.00 -4.42 0.00 0.00 -0.00 0.00 0.00 56.01 51.60 2rka n LEU 569 Cb 0.00 0.59 0.03 0.00 -0.00 0.00 0.00 43.42 44.03 2rka n LEU 569 CO 0.00 1.93 0.33 0.61 -0.00 0.00 0.00 177.39 180.26 2rka n GLY 570 N 2.37 1.23 0.05 1.47 0.00 -1.23 -3.71 105.19 105.36 2rka n GLY 570 Ca 0.27 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2rka n GLY 570 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2rka n ASP 571 N -0.02 0.45 -4.73 1.61 8.00 -1.26 -4.95 116.55 115.65 2rka n ASP 571 Ca 0.02 -0.01 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 2rka n ASP 571 Cb 0.27 1.19 -0.04 0.00 -0.02 0.00 0.00 41.12 42.51 2rka n ASP 571 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2rka s VAL 572 N -3.37 4.55 -0.69 2.53 0.11 -1.24 -5.01 120.40 117.29 2rka s VAL 572 Ca -0.02 2.01 -0.21 0.00 -2.93 0.00 0.00 61.98 60.83 2rka s VAL 572 Cb 0.13 -4.30 0.09 0.00 -1.53 0.00 0.00 36.38 30.78 2rka s VAL 572 CO 0.85 0.32 0.91 0.21 -3.33 0.00 0.00 175.10 174.05 2rka s ASN 573 N 0.04 6.27 0.26 3.54 3.84 -1.26 -4.90 114.94 122.73 2rka s ASN 573 Ca 0.46 -1.34 0.07 0.00 0.21 0.00 0.00 52.86 52.26 2rka s ASN 573 Cb -0.23 -2.38 0.32 0.00 -0.55 0.00 0.00 41.25 38.42 2rka s ASN 573 CO 0.29 -1.26 1.60 -0.37 -2.79 0.00 0.00 177.10 174.57 2rka h VAL 574 N 5.91 1.40 -0.64 -5.21 -1.51 -1.96 -0.78 116.25 113.46 2rka h VAL 574 Ca -0.20 -1.99 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 2rka h VAL 574 Cb 1.07 2.04 -0.03 0.00 -2.13 0.00 0.00 31.29 32.23 2rka h VAL 574 CO 1.14 0.58 0.41 -0.08 -1.23 0.00 0.00 177.57 178.38 2rka h GLU 575 N 0.10 0.86 0.08 5.19 4.22 -1.96 -0.34 114.58 122.74 2rka h GLU 575 Ca -0.01 -0.07 -0.28 0.00 0.08 0.00 0.00 59.36 59.09 2rka h GLU 575 Cb 1.07 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 30.15 2rka h GLU 575 CO 0.08 0.60 -1.15 1.49 -2.18 0.00 0.00 179.01 177.85 2rka h GLU 576 N 0.87 0.54 -0.79 1.92 4.81 -1.93 -0.59 114.58 119.41 2rka h GLU 576 Ca 0.23 -0.69 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2rka h GLU 576 Cb -0.06 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2rka h GLU 576 CO -0.05 1.29 0.51 -0.07 -0.73 0.00 0.00 179.01 179.97 2rka h LEU 577 N 0.25 0.91 -2.50 1.64 3.38 -0.97 -3.06 115.31 114.96 2rka h LEU 577 Ca -0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2rka h LEU 577 Cb 1.82 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.35 2rka h LEU 577 CO 0.21 0.66 0.00 0.49 0.09 0.00 0.00 178.44 179.90 2rka n PHE 578 N -4.53 0.51 -1.63 1.13 3.72 -0.15 -2.59 117.46 113.91 2rka n PHE 578 Ca 0.08 -0.36 -0.46 0.00 -0.05 0.00 0.00 57.45 56.66 2rka n PHE 578 Cb 0.02 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 2rka n PHE 578 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2rka n GLY 579 N 1.02 0.44 2.88 1.37 0.00 -0.23 -4.85 105.19 105.83 2rka n GLY 579 Ca 0.15 0.49 -0.29 0.00 0.00 0.00 0.00 46.02 46.38 2rka n GLY 579 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rka s ILE 580 N -0.19 1.17 -0.24 -0.61 1.01 -1.26 -4.53 121.20 116.54 2rka s ILE 580 Ca 0.69 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 2rka s ILE 580 Cb -0.72 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.25 2rka s ILE 580 CO 0.52 -0.03 0.15 -0.55 0.00 0.00 0.00 174.94 175.03 2rka s SER 581 N 1.58 6.02 0.22 3.58 0.15 -1.26 -4.99 113.70 119.00 2rka s SER 581 Ca -0.02 0.08 -0.08 0.00 0.70 0.00 0.00 55.95 56.62 2rka s SER 581 Cb -0.17 -2.09 0.34 0.00 -1.71 0.00 0.00 66.02 62.39 2rka s SER 581 CO -0.07 0.06 1.70 0.50 1.20 0.00 0.00 173.24 176.63 2rka h LYS 582 N 7.59 0.27 -0.42 5.44 3.64 -1.98 -0.86 116.57 130.25 2rka h LYS 582 Ca -0.38 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 2rka h LYS 582 Cb 1.17 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 2rka h LYS 582 CO 0.64 0.18 0.26 0.93 -2.27 0.00 0.00 179.45 179.20 2rka h GLU 583 N 0.28 0.52 -0.53 1.90 3.07 -1.97 0.16 114.58 118.01 2rka h GLU 583 Ca 0.34 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 59.09 2rka h GLU 583 Cb 0.52 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2rka h GLU 583 CO -0.42 0.34 0.01 0.35 -1.40 0.00 0.00 179.01 177.89 2rka h PHE 584 N 0.54 1.01 0.00 4.33 3.57 -1.88 -2.95 116.94 121.57 2rka h PHE 584 Ca 0.16 -0.17 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 2rka h PHE 584 Cb -0.03 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.42 2rka h PHE 584 CO -0.06 0.93 -0.60 -1.49 -2.23 0.00 0.00 178.31 174.86 2rka h TRP 585 N 0.81 0.00 -0.38 0.41 4.06 -0.75 -0.98 115.95 119.13 2rka h TRP 585 Ca 0.15 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.09 2rka h TRP 585 Cb 0.51 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 2rka h TRP 585 CO 0.04 0.60 0.19 0.93 -3.56 0.00 0.00 178.44 176.64 2rka h GLU 586 N 0.00 0.53 -0.76 0.49 5.08 -0.71 -1.56 114.58 117.66 2rka h GLU 586 Ca -0.01 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2rka h GLU 586 Cb 1.40 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.51 2rka h GLU 586 CO 0.08 0.46 0.41 -0.22 -1.00 0.00 0.00 179.01 178.73 2rka h LYS 587 N 0.47 1.06 -0.24 2.33 1.63 -1.32 -2.66 116.57 117.84 2rka h LYS 587 Ca 0.13 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 2rka h LYS 587 Cb 0.09 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.51 2rka h LYS 587 CO -0.02 0.79 0.11 1.49 -3.45 0.00 0.00 179.45 178.37 2rka h GLU 588 N 1.05 0.35 -0.98 1.90 4.57 -0.95 -1.97 114.58 118.54 2rka h GLU 588 Ca 0.26 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.41 2rka h GLU 588 Cb 0.05 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 2rka h GLU 588 CO -0.04 0.37 0.65 0.28 -1.18 0.00 0.00 179.01 179.09 2rka h VAL 589 N 0.25 1.23 -0.38 0.32 2.07 -1.25 -0.94 116.25 117.54 2rka h VAL 589 Ca 0.08 -0.45 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 2rka h VAL 589 Cb 0.14 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 2rka h VAL 589 CO -0.01 0.24 0.03 -0.08 0.02 0.00 0.00 177.57 177.77 2rka h GLU 590 N 1.31 0.66 -0.55 1.57 4.57 -1.26 0.56 114.58 121.45 2rka h GLU 590 Ca 0.37 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2rka h GLU 590 Cb -0.12 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 2rka h GLU 590 CO -0.09 0.74 0.06 0.93 -1.18 0.00 0.00 179.01 179.46 2rka h GLU 591 N 0.49 0.93 -0.46 1.92 4.39 -1.00 -0.10 114.58 120.75 2rka h GLU 591 Ca 0.11 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2rka h GLU 591 Cb 0.42 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2rka h GLU 591 CO 0.01 0.91 0.29 0.82 -1.16 0.00 0.00 179.01 179.88 2rka h ILE 592 N 0.81 1.13 0.15 3.13 2.04 -1.10 -0.90 117.51 122.76 2rka h ILE 592 Ca 0.16 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.77 2rka h ILE 592 Cb 0.46 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2rka h ILE 592 CO 0.02 0.13 -0.27 -0.78 0.00 0.00 0.00 178.15 177.25 2rka h ASP 593 N 0.61 -0.75 -0.98 1.72 1.82 -0.60 -0.33 116.42 117.92 2rka h ASP 593 Ca 0.17 0.08 0.02 0.00 -0.39 0.00 0.00 57.03 56.91 2rka h ASP 593 Cb -0.04 0.28 -0.05 0.00 0.68 0.00 0.00 39.33 40.20 2rka h ASP 593 CO -0.03 -0.36 0.65 0.11 -1.61 0.00 0.00 179.24 177.99 2rka h LYS 594 N -0.50 1.26 0.33 0.28 1.57 -0.89 -1.08 116.57 117.54 2rka h LYS 594 Ca 0.02 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2rka h LYS 594 Cb 0.51 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2rka h LYS 594 CO -0.13 0.83 -0.16 -0.92 -0.57 0.00 0.00 179.45 178.50 2rka h TYR 595 N 1.29 -0.41 -0.70 -1.35 3.20 -0.87 -2.39 116.97 115.74 2rka h TYR 595 Ca 0.37 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.24 2rka h TYR 595 Cb -0.09 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 2rka h TYR 595 CO -0.00 -0.11 0.46 -0.07 -1.64 0.00 0.00 178.16 176.79 2rka h LEU 596 N -0.69 0.79 -0.04 2.82 3.38 -0.93 0.68 115.31 121.32 2rka h LEU 596 Ca -0.05 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2rka h LEU 596 Cb 0.48 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2rka h LEU 596 CO 0.07 0.57 -0.03 -0.08 0.09 0.00 0.00 178.44 179.06 2rka h GLU 597 N 0.93 -0.03 0.26 1.13 4.81 -1.23 -0.22 114.58 120.23 2rka h GLU 597 Ca 0.26 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2rka h GLU 597 Cb -0.09 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.30 2rka h GLU 597 CO -0.06 -0.02 -0.13 0.22 -0.73 0.00 0.00 179.01 178.29 2rka h ASP 598 N -0.04 -0.30 0.97 1.04 -0.00 -1.27 -2.46 116.42 114.36 2rka h ASP 598 Ca 0.03 -0.23 -0.20 0.00 -0.00 0.00 0.00 57.03 56.62 2rka h ASP 598 Cb 0.07 0.08 -0.03 0.00 -0.00 0.00 0.00 39.33 39.45 2rka h ASP 598 CO -0.06 0.16 -0.96 1.56 -0.00 0.00 0.00 179.24 179.94 2rka h GLN 599 N -0.85 0.00 0.00 0.28 1.08 -0.90 0.08 115.11 114.80 2rka h GLN 599 Ca -0.04 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 56.90 2rka h GLN 599 Cb 0.51 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.89 2rka h GLN 599 CO 0.06 0.96 -2.00 0.28 -0.95 0.00 0.00 178.83 177.18 2rka n VAL 600 N -3.39 1.00 0.00 -0.54 0.31 -0.16 -4.55 118.33 110.99 2rka n VAL 600 Ca -0.00 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2rka n VAL 600 Cb 0.91 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2rka n VAL 600 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2rka n ASN 601 N -2.85 0.00 0.24 4.52 5.15 -0.77 -1.36 115.26 120.19 2rka n ASN 601 Ca -0.29 0.00 0.16 0.00 -0.60 0.00 0.00 54.58 53.86 2rka n ASN 601 Cb 0.88 0.00 0.79 0.00 -0.53 0.00 0.00 39.78 40.92 2rka n ASN 601 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rka h ALA 602 N -0.66 1.00 -0.67 5.20 0.00 -1.86 -2.67 119.26 119.60 2rka h ALA 602 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2rka h ALA 602 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2rka h ALA 602 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 2rka n ASP 603 N -2.69 3.91 -4.66 0.00 8.00 -0.46 -4.91 116.55 115.74 2rka n ASP 603 Ca -0.01 -2.11 -0.43 0.00 0.71 0.00 0.00 54.79 52.95 2rka n ASP 603 Cb 0.15 -0.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 2rka n ASP 603 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2rka s LEU 604 N -1.20 4.12 0.57 0.64 2.96 -1.01 -4.36 118.68 120.40 2rka s LEU 604 Ca 0.47 1.44 -0.21 0.00 -0.22 0.00 0.00 54.13 55.62 2rka s LEU 604 Cb 0.26 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2rka s LEU 604 CO 0.29 -0.67 1.30 -2.84 -1.32 0.00 0.00 176.35 173.11 2rka s PRO 605 N 3.18 3.05 0.22 0.98 0.02 -1.26 -4.89 135.00 136.30 2rka s PRO 605 Ca 0.46 2.09 -0.07 0.00 0.02 0.00 0.00 61.00 63.51 2rka s PRO 605 Cb -0.16 -2.14 0.33 0.00 0.02 0.00 0.00 34.50 32.56 2rka s PRO 605 CO 0.08 -1.22 1.77 -0.92 -0.33 0.00 0.00 177.00 176.39 2rka h TYR 606 N 1.24 0.60 -0.59 6.54 3.20 -1.99 -2.16 116.97 123.81 2rka h TYR 606 Ca -0.51 0.03 0.07 0.00 3.14 0.00 0.00 58.73 61.46 2rka h TYR 606 Cb 1.30 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.37 2rka h TYR 606 CO 0.46 0.21 0.39 0.93 -1.64 0.00 0.00 178.16 178.51 2rka h GLU 607 N 0.57 0.53 -0.09 1.82 5.08 -1.99 0.12 114.58 120.63 2rka h GLU 607 Ca 0.35 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.51 2rka h GLU 607 Cb 0.38 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.52 2rka h GLU 607 CO -0.28 0.35 -0.59 0.82 -1.00 0.00 0.00 179.01 178.32 2rka h ILE 608 N 0.55 1.36 -0.91 3.13 5.03 -1.75 -0.92 117.51 123.99 2rka h ILE 608 Ca 0.26 -1.91 0.04 0.00 -0.12 0.00 0.00 64.86 63.13 2rka h ILE 608 Cb 0.31 2.24 -0.05 0.00 -3.03 0.00 0.00 36.82 36.28 2rka h ILE 608 CO -0.08 0.58 0.59 -0.08 -0.68 0.00 0.00 178.15 178.48 2rka h GLU 609 N 0.16 1.11 -0.40 2.37 4.22 -1.09 -0.57 114.58 120.39 2rka h GLU 609 Ca -0.05 -0.07 -0.03 0.00 0.08 0.00 0.00 59.36 59.29 2rka h GLU 609 Cb 1.24 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 2rka h GLU 609 CO 0.12 0.74 0.12 -0.09 -2.18 0.00 0.00 179.01 177.72 2rka h ARG 610 N 1.15 0.62 -0.76 1.92 2.43 -0.67 -0.90 114.38 118.16 2rka h ARG 610 Ca 0.37 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2rka h ARG 610 Cb 0.01 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 2rka h ARG 610 CO -0.12 0.62 0.45 0.93 -1.51 0.00 0.00 179.97 180.34 2rka h GLU 611 N 0.49 1.02 -0.02 0.20 4.39 -0.76 0.34 114.58 120.26 2rka h GLU 611 Ca 0.13 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2rka h GLU 611 Cb 0.26 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2rka h GLU 611 CO -0.00 0.72 0.01 1.25 -1.16 0.00 0.00 179.01 179.82 2rka h LEU 612 N 1.04 0.03 -0.46 1.33 5.85 -0.79 -1.56 115.31 120.75 2rka h LEU 612 Ca 0.27 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.89 2rka h LEU 612 Cb -0.04 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2rka h LEU 612 CO -0.05 0.19 0.11 0.03 -0.34 0.00 0.00 178.44 178.38 2rka h ARG 613 N -0.14 0.24 -0.52 1.25 3.08 -0.87 -1.64 114.38 115.79 2rka h ARG 613 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2rka h ARG 613 Cb 0.17 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 2rka h ARG 613 CO -0.00 0.16 0.34 0.00 -1.07 0.00 0.00 179.97 179.40 2rka h ALA 614 N 1.34 0.66 -0.31 0.04 0.00 -0.79 -1.12 119.26 119.09 2rka h ALA 614 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2rka h ALA 614 Cb 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2rka h ALA 614 CO -0.28 0.11 0.13 1.25 0.00 0.00 0.00 179.25 180.46 2rka h LEU 615 N 0.70 0.42 -0.80 0.00 5.85 -1.09 -1.18 115.31 119.21 2rka h LEU 615 Ca 0.19 -0.16 0.13 0.00 0.84 0.00 0.00 57.88 58.88 2rka h LEU 615 Cb -0.07 -0.11 -0.09 0.00 0.37 0.00 0.00 40.66 40.76 2rka h LEU 615 CO -0.04 0.46 0.39 0.11 -0.34 0.00 0.00 178.44 179.02 2rka h LYS 616 N 0.35 0.58 -0.30 1.25 1.57 -1.07 -0.99 116.57 117.96 2rka h LYS 616 Ca 0.10 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2rka h LYS 616 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2rka h LYS 616 CO -0.01 0.38 0.02 0.37 -0.57 0.00 0.00 179.45 179.65 2rka h GLN 617 N 0.60 0.51 -0.83 3.15 5.75 -0.82 -0.73 115.11 122.74 2rka h GLN 617 Ca 0.42 -0.15 -0.04 0.00 -0.15 0.00 0.00 58.65 58.73 2rka h GLN 617 Cb 0.55 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 2rka h GLN 617 CO -0.34 0.64 0.38 0.00 -2.65 0.00 0.00 178.83 176.86 2rka h ARG 618 N 0.32 1.21 -0.47 1.69 3.08 -0.82 -2.33 114.38 117.05 2rka h ARG 618 Ca 0.09 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 2rka h ARG 618 Cb 0.39 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2rka h ARG 618 CO 0.01 0.94 -0.07 0.82 -1.07 0.00 0.00 179.97 180.60 2rka h ILE 619 N 1.19 1.26 0.00 2.04 1.08 -1.08 -2.85 117.51 119.15 2rka h ILE 619 Ca 0.28 -1.14 -0.02 0.00 -0.39 0.00 0.00 64.86 63.59 2rka h ILE 619 Cb 0.15 0.97 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 2rka h ILE 619 CO -0.03 0.39 -0.11 0.77 -0.69 0.00 0.00 178.15 178.49 2rka h SER 620 N 0.76 0.00 -0.08 1.72 4.64 -0.61 -2.80 113.55 117.18 2rka h SER 620 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2rka h SER 620 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2rka h SER 620 CO 0.03 0.11 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 2rka n GLN 621 N -3.82 1.81 0.00 4.77 1.13 -0.97 -5.10 117.38 115.20 2rka n GLN 621 Ca -0.02 -1.19 0.14 0.00 -1.94 0.00 0.00 57.00 53.99 2rka n GLN 621 Cb 0.20 -1.45 0.54 0.00 0.11 0.00 0.00 30.24 29.64 2rka n GLN 621 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62