#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 0.53 0.00 2.61 4.77 -1.26 -4.97 117.00 118.68 2rka n LEU 5 Ca 0.00 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 2rka n LEU 5 Cb 0.00 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2rka n LEU 5 CO 0.00 0.04 0.00 1.41 -1.33 0.00 0.00 177.39 177.51 2rka n HIS 6 N -2.64 0.00 -1.42 -1.77 8.25 -1.26 -5.09 115.22 111.29 2rka n HIS 6 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 2rka n HIS 6 Cb 0.71 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.82 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 0.00 0.08 0.41 3.02 -1.26 -4.95 115.26 112.56 2rka n ASN 7 Ca 0.00 -1.34 0.12 0.00 -0.03 0.00 0.00 54.58 53.33 2rka n ASN 7 Cb 0.00 -0.07 0.04 0.00 -0.61 0.00 0.00 39.78 39.14 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 0.00 -1.41 0.01 7.41 0.00 -1.26 -4.29 105.19 105.65 2rka n GLY 8 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.45 0.37 -4.53 0.99 4.77 -1.26 -4.87 117.00 110.03 2rka n LEU 9 Ca 0.01 -0.19 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 2rka n LEU 9 Cb 0.51 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2rka n LEU 9 CO 0.39 0.09 0.21 -0.62 -1.33 0.00 0.00 177.39 176.13 2rka s ASP 10 N -3.84 6.27 -0.03 -1.43 2.15 -1.26 -4.94 116.67 113.58 2rka s ASP 10 Ca -0.02 -0.30 0.15 0.00 0.43 0.00 0.00 52.55 52.81 2rka s ASP 10 Cb 0.14 -2.26 0.50 0.00 -0.30 0.00 0.00 42.92 41.00 2rka s ASP 10 CO 0.86 -0.56 1.40 0.49 -0.17 0.00 0.00 175.17 177.18 2rka n PHE 11 N 5.78 0.87 -0.30 -5.34 3.72 -1.26 -4.52 117.46 116.40 2rka n PHE 11 Ca -0.05 -0.39 0.06 0.00 -0.05 0.00 0.00 57.45 57.02 2rka n PHE 11 Cb 0.48 -0.08 0.21 0.00 -0.94 0.00 0.00 39.48 39.16 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 3.08 0.59 0.14 4.37 0.02 -1.99 -1.69 113.55 118.08 2rka h SER 12 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2rka h SER 12 Cb 0.88 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 2rka h SER 12 CO 0.07 0.28 -0.01 0.00 -1.14 0.00 0.00 176.83 176.02 2rka h ALA 13 N 1.53 1.12 -0.06 3.77 0.00 -2.01 -2.44 119.26 121.16 2rka h ALA 13 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2rka h ALA 13 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2rka h ALA 13 CO -0.33 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.56 2rka n LYS 14 N -3.26 2.30 -2.56 0.00 5.02 -0.64 -4.92 118.16 114.10 2rka n LYS 14 Ca -0.03 -1.89 -0.43 0.00 -2.02 0.00 0.00 58.31 53.95 2rka n LYS 14 Cb 0.11 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.95 4.36 -0.92 -0.18 1.01 -0.92 -0.85 120.40 120.95 2rka s VAL 15 Ca 0.30 1.54 0.21 0.00 0.00 0.00 0.00 61.98 64.03 2rka s VAL 15 Cb 0.20 -4.33 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 2rka s VAL 15 CO 0.30 -0.51 0.90 2.30 0.00 0.00 0.00 175.10 178.09 2rka n ILE 16 N 6.04 0.00 -3.73 2.22 -5.35 0.56 -4.87 119.36 114.24 2rka n ILE 16 Ca 0.13 -0.04 -0.12 0.00 -0.27 0.00 0.00 62.75 62.44 2rka n ILE 16 Cb 0.47 0.87 -0.12 0.00 -1.74 0.00 0.00 39.64 39.11 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 -3.04 0.27 1.60 6.28 0.74 -1.23 -4.99 119.66 119.29 2rka s GLN 17 Ca 0.07 0.54 0.00 0.00 0.05 0.00 0.00 55.36 56.02 2rka s GLN 17 Cb 0.16 -0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.23 2rka s GLN 17 CO 0.86 -0.13 0.00 0.41 -0.55 0.00 0.00 175.29 175.88 2rka n GLY 18 N 3.92 -1.08 3.61 2.59 0.00 -1.26 -1.25 105.19 111.72 2rka n GLY 18 Ca -0.22 -1.47 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.91 0.35 1.61 0.15 -1.26 -4.99 113.70 104.64 2rka s SER 19 Ca 0.00 1.47 0.06 0.00 0.70 0.00 0.00 55.95 58.18 2rka s SER 19 Cb 0.00 1.35 0.65 0.00 -1.71 0.00 0.00 66.02 66.31 2rka s SER 19 CO 0.00 -0.24 1.87 -0.07 1.20 0.00 0.00 173.24 176.00 2rka h LEU 20 N 6.93 0.39 -2.04 3.45 3.38 -1.94 -2.61 115.31 122.88 2rka h LEU 20 Ca -0.30 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.60 2rka h LEU 20 Cb 1.22 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 2rka h LEU 20 CO 0.17 0.51 0.04 0.44 0.09 0.00 0.00 178.44 179.69 2rka h ASP 21 N 0.39 0.00 1.40 -0.43 5.19 -2.00 -2.87 116.42 118.10 2rka h ASP 21 Ca 0.08 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.41 2rka h ASP 21 Cb 0.39 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 2rka h ASP 21 CO 0.02 0.00 -0.62 0.77 -3.12 0.00 0.00 179.24 176.29 2rka h SER 22 N 0.00 0.00 -4.10 6.45 4.64 -1.89 -3.47 113.55 115.19 2rka h SER 22 Ca 0.02 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.81 2rka h SER 22 Cb 0.10 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.31 2rka h SER 22 CO -0.00 0.32 0.48 -0.76 -0.87 0.00 0.00 176.83 176.00 2rka s LEU 23 N -6.12 3.64 0.74 5.97 1.43 -1.09 -5.00 118.68 118.26 2rka s LEU 23 Ca 0.03 2.44 -0.15 0.00 -1.03 0.00 0.00 54.13 55.42 2rka s LEU 23 Cb 0.07 -4.60 0.05 0.00 0.03 0.00 0.00 46.19 41.74 2rka s LEU 23 CO 0.75 -1.69 1.22 -2.84 0.23 0.00 0.00 176.35 174.01 2rka s PRO 24 N -3.35 2.04 0.15 1.29 0.02 -1.26 -4.73 135.00 129.16 2rka s PRO 24 Ca 0.79 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 2rka s PRO 24 Cb -0.32 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.34 2rka s PRO 24 CO 0.35 -1.92 1.55 0.37 -0.33 0.00 0.00 177.00 177.02 2rka h GLN 25 N -0.37 -0.24 0.00 5.54 4.15 -1.94 -1.40 115.11 120.85 2rka h GLN 25 Ca -0.48 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 58.90 2rka h GLN 25 Cb 1.30 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 29.04 2rka h GLN 25 CO 0.49 -0.16 -0.29 0.93 -1.93 0.00 0.00 178.83 177.87 2rka h GLU 26 N -0.25 0.00 -0.24 1.69 4.39 -1.94 -2.06 114.58 116.16 2rka h GLU 26 Ca 0.13 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 2rka h GLU 26 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2rka h GLU 26 CO -0.71 0.29 -0.32 0.28 -1.16 0.00 0.00 179.01 177.39 2rka h VAL 27 N 0.00 1.31 -0.30 3.13 2.07 -1.69 -2.12 116.25 118.65 2rka h VAL 27 Ca -0.00 -1.51 0.01 0.00 0.82 0.00 0.00 66.70 66.02 2rka h VAL 27 Cb 0.53 1.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 2rka h VAL 27 CO 0.04 0.48 0.17 -0.09 0.02 0.00 0.00 177.57 178.19 2rka h ARG 28 N 0.36 0.35 -0.94 1.57 2.43 -0.97 -0.80 114.38 116.37 2rka h ARG 28 Ca 0.03 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2rka h ARG 28 Cb 0.90 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 2rka h ARG 28 CO 0.08 0.23 0.59 0.87 -1.51 0.00 0.00 179.97 180.23 2rka h LYS 29 N 0.36 1.02 -0.06 0.20 1.57 -1.37 0.28 116.57 118.57 2rka h LYS 29 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2rka h LYS 29 Cb 0.00 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 2rka h LYS 29 CO -0.06 0.67 0.00 0.35 -0.57 0.00 0.00 179.45 179.85 2rka h PHE 30 N 1.05 0.11 0.37 -1.35 3.57 -1.08 -1.45 116.94 118.16 2rka h PHE 30 Ca 0.42 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.88 2rka h PHE 30 Cb 0.23 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.95 2rka h PHE 30 CO -0.02 0.37 -0.18 0.28 -2.23 0.00 0.00 178.31 176.53 2rka h VAL 31 N -0.18 0.64 -0.32 1.41 2.07 -0.79 -2.67 116.25 116.41 2rka h VAL 31 Ca 0.02 -0.21 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 2rka h VAL 31 Cb 0.32 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 2rka h VAL 31 CO 0.00 0.04 0.00 -0.08 0.02 0.00 0.00 177.57 177.56 2rka h GLU 32 N -0.62 0.57 -0.83 1.57 4.81 -0.52 0.59 114.58 120.15 2rka h GLU 32 Ca -0.05 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2rka h GLU 32 Cb 0.45 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.74 2rka h GLU 32 CO 0.08 0.70 0.54 0.78 -0.73 0.00 0.00 179.01 180.38 2rka h GLY 33 N 0.37 1.19 2.00 1.92 0.00 -1.35 0.06 103.07 107.26 2rka h GLY 33 Ca 0.09 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 2rka h GLY 33 CO 0.02 0.38 -0.47 3.43 0.00 0.00 0.00 176.54 179.90 2rka h ASN 34 N 1.07 0.00 -0.60 0.19 2.35 -1.32 -2.67 115.58 114.60 2rka h ASN 34 Ca 0.32 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.00 2rka h ASN 34 Cb -0.04 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2rka h ASN 34 CO -0.10 0.47 0.11 0.00 -1.65 0.00 0.00 177.43 176.26 2rka h ALA 35 N 1.53 0.80 -0.92 -0.83 0.00 -0.34 0.74 119.26 120.24 2rka h ALA 35 Ca -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2rka h ALA 35 Cb 1.16 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2rka h ALA 35 CO 0.06 0.54 0.56 1.96 0.00 0.00 0.00 179.25 182.36 2rka h GLN 36 N 0.89 1.25 0.02 0.00 4.20 -0.90 -0.32 115.11 120.25 2rka h GLN 36 Ca 0.18 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2rka h GLN 36 Cb 0.40 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2rka h GLN 36 CO 0.01 0.87 -0.01 1.25 -0.67 0.00 0.00 178.83 180.28 2rka h LEU 37 N 1.27 -0.03 0.00 1.46 5.85 -1.33 -3.37 115.31 119.16 2rka h LEU 37 Ca 0.33 -0.67 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2rka h LEU 37 Cb -0.05 0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2rka h LEU 37 CO -0.06 0.69 -0.33 0.00 -0.34 0.00 0.00 178.44 178.39 2rka n GLN 39 N -2.94 -5.80 -1.94 0.00 1.13 -0.13 -0.63 117.38 107.07 2rka n GLN 39 Ca 0.03 0.77 -0.34 0.00 -1.94 0.00 0.00 57.00 55.52 2rka n GLN 39 Cb 0.53 -5.63 0.03 0.00 0.11 0.00 0.00 30.24 25.29 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 -5.51 2.94 0.14 -1.09 0.04 -1.26 -2.89 135.00 127.37 2rka s PRO 40 Ca 0.03 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 2rka s PRO 40 Cb -0.01 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2rka s PRO 40 CO 0.76 -1.18 1.43 1.49 0.04 0.00 0.00 177.00 179.54 2rka h GLU 41 N 0.56 0.86 -4.95 4.56 4.81 -0.72 -3.47 114.58 116.23 2rka h GLU 41 Ca -0.49 -0.53 -0.32 0.00 -0.13 0.00 0.00 59.36 57.90 2rka h GLU 41 Cb 1.27 0.06 -0.18 0.00 0.63 0.00 0.00 28.75 30.53 2rka h GLU 41 CO 0.55 1.16 -0.73 0.71 -0.73 0.00 0.00 179.01 179.97 2rka s TYR 42 N -4.16 1.05 -0.13 0.92 2.02 -1.13 -4.84 117.35 111.08 2rka s TYR 42 Ca -0.10 -0.65 0.01 0.00 -0.37 0.00 0.00 57.07 55.96 2rka s TYR 42 Cb 0.10 -0.58 0.02 0.00 -0.40 0.00 0.00 41.96 41.10 2rka s TYR 42 CO 0.89 -0.00 -0.16 0.42 -1.57 0.00 0.00 175.55 175.12 2rka s ILE 43 N -2.40 1.62 -0.29 2.71 1.01 -0.03 -0.39 121.20 123.43 2rka s ILE 43 Ca 0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 2rka s ILE 43 Cb -0.03 -1.49 0.06 0.00 0.01 0.00 0.00 42.46 41.01 2rka s ILE 43 CO -0.00 0.47 -0.03 -2.28 0.00 0.00 0.00 174.94 173.10 2rka s HIS 44 N 1.14 3.29 -0.43 3.97 5.65 -0.18 -0.32 115.29 128.41 2rka s HIS 44 Ca -0.02 -2.07 -0.25 0.00 0.25 0.00 0.00 55.06 52.97 2rka s HIS 44 Cb -0.14 -2.12 0.02 0.00 -1.18 0.00 0.00 32.58 29.17 2rka s HIS 44 CO -0.05 -0.84 0.88 0.42 -0.65 0.00 0.00 174.74 174.50 2rka s ILE 45 N 1.19 4.56 0.27 0.89 1.01 -0.38 -0.46 121.20 128.27 2rka s ILE 45 Ca -0.05 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.05 2rka s ILE 45 Cb -0.20 -4.37 -0.10 0.00 0.01 0.00 0.00 42.46 37.80 2rka s ILE 45 CO -0.03 -0.72 1.33 0.00 0.00 0.00 0.00 174.94 175.52 2rka n ASP 47 N 1.75 0.95 -0.04 0.00 5.68 -1.26 -4.10 116.55 119.52 2rka n ASP 47 Ca 0.03 -0.97 -0.01 0.00 -0.50 0.00 0.00 54.79 53.35 2rka n ASP 47 Cb 0.42 0.98 -0.00 0.00 -1.14 0.00 0.00 41.12 41.38 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 1.45 0.34 3.80 6.12 0.00 -1.26 -2.12 105.19 113.52 2rka n GLY 48 Ca 0.04 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 5.14 0.27 1.61 1.04 -1.26 -4.91 113.70 113.53 2rka s SER 49 Ca 0.00 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.15 2rka s SER 49 Cb 0.00 -2.51 0.35 0.00 0.10 0.00 0.00 66.02 63.96 2rka s SER 49 CO 0.00 -1.60 1.81 -0.08 0.98 0.00 0.00 173.24 174.34 2rka h GLU 50 N -0.61 0.87 -0.03 4.02 4.57 -1.99 -2.34 114.58 119.07 2rka h GLU 50 Ca -0.44 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.56 2rka h GLU 50 Cb 1.22 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.68 2rka h GLU 50 CO 0.55 0.79 -0.00 1.49 -1.18 0.00 0.00 179.01 180.66 2rka h GLU 51 N 0.84 0.01 -0.67 1.92 4.81 -1.99 0.12 114.58 119.61 2rka h GLU 51 Ca 0.18 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2rka h GLU 51 Cb 0.32 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 2rka h GLU 51 CO 0.00 0.00 0.33 1.49 -0.73 0.00 0.00 179.01 180.10 2rka h GLU 52 N 0.01 0.56 -0.19 1.92 4.81 -1.90 -1.09 114.58 118.70 2rka h GLU 52 Ca 0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2rka h GLU 52 Cb 0.02 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 2rka h GLU 52 CO -0.02 0.37 0.02 -0.92 -0.73 0.00 0.00 179.01 177.73 2rka h TYR 53 N 0.58 0.34 -0.26 0.92 3.20 -1.14 -1.01 116.97 119.60 2rka h TYR 53 Ca 0.32 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.17 2rka h TYR 53 Cb 0.31 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 2rka h TYR 53 CO -0.11 0.49 0.07 0.78 -1.64 0.00 0.00 178.16 177.75 2rka h GLY 54 N 0.10 0.31 0.99 1.82 0.00 -0.72 -1.60 103.07 103.97 2rka h GLY 54 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 2rka h GLY 54 CO 0.01 0.01 0.26 3.21 0.00 0.00 0.00 176.54 180.03 2rka h ARG 55 N 0.18 0.85 -0.34 4.80 2.47 -1.14 -1.38 114.38 119.82 2rka h ARG 55 Ca 0.12 -0.14 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2rka h ARG 55 Cb 0.11 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 2rka h ARG 55 CO -0.14 0.70 0.21 1.25 0.56 0.00 0.00 179.97 182.55 2rka h LEU 56 N 0.79 0.41 -0.49 3.04 5.85 -1.06 -1.48 115.31 122.37 2rka h LEU 56 Ca 0.20 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 2rka h LEU 56 Cb 0.15 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2rka h LEU 56 CO -0.02 0.33 0.14 -0.07 -0.34 0.00 0.00 178.44 178.48 2rka h LEU 57 N 0.44 0.73 -0.99 2.25 3.38 -1.14 -1.70 115.31 118.29 2rka h LEU 57 Ca 0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2rka h LEU 57 Cb -0.00 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 2rka h LEU 57 CO -0.02 0.75 0.22 0.00 0.09 0.00 0.00 178.44 179.48 2rka h ALA 58 N 1.00 1.19 -0.34 1.53 0.00 -1.17 -0.61 119.26 120.88 2rka h ALA 58 Ca 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2rka h ALA 58 Cb 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2rka h ALA 58 CO -0.00 0.57 0.09 1.25 0.00 0.00 0.00 179.25 181.16 2rka h HIS 59 N 0.93 0.55 -0.99 0.00 -0.00 -1.03 0.15 115.15 114.76 2rka h HIS 59 Ca 0.21 -0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 2rka h HIS 59 Cb 0.23 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.43 2rka h HIS 59 CO 0.02 0.56 0.66 0.52 -0.00 0.00 0.00 177.93 179.68 2rka h MET 60 N 0.39 1.30 -0.28 5.26 2.07 -1.07 -0.63 114.93 121.96 2rka h MET 60 Ca 0.11 -0.08 -0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2rka h MET 60 Cb 0.27 -0.29 -0.01 0.00 -1.87 0.00 0.00 31.60 29.70 2rka h MET 60 CO -0.00 0.86 0.17 0.37 1.07 0.00 0.00 176.91 179.38 2rka h GLN 61 N 1.34 0.39 0.00 1.72 4.15 -0.83 0.17 115.11 122.04 2rka h GLN 61 Ca 0.36 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 2rka h GLN 61 Cb -0.15 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.46 2rka h GLN 61 CO -0.08 0.30 -0.08 0.93 -1.93 0.00 0.00 178.83 177.97 2rka h GLU 62 N 0.36 0.00 -0.00 1.69 5.08 -0.19 -2.29 114.58 119.23 2rka h GLU 62 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2rka h GLU 62 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2rka h GLU 62 CO -0.02 0.08 -0.53 0.39 -1.00 0.00 0.00 179.01 177.94 2rka n GLU 63 N -3.88 0.37 -0.84 2.33 1.02 -0.29 -4.96 120.64 114.39 2rka n GLU 63 Ca -0.02 -0.25 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2rka n GLU 63 Cb 0.18 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.45 0.55 0.08 0.62 0.00 -0.73 -4.94 105.19 102.21 2rka n GLY 64 Ca 0.07 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 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 1.66 -3.94 1.61 2.07 -0.94 -3.44 116.25 113.27 2rka h VAL 65 Ca 0.00 -3.17 -0.15 0.00 0.82 0.00 0.00 66.70 64.20 2rka h VAL 65 Cb 0.00 2.71 -0.19 0.00 -1.52 0.00 0.00 31.29 32.29 2rka h VAL 65 CO 0.00 0.90 -0.64 -0.51 0.02 0.00 0.00 177.57 177.34 2rka s ILE 66 N -2.89 0.13 -0.01 4.57 2.07 -1.14 -4.52 121.20 119.40 2rka s ILE 66 Ca 0.01 -1.07 0.06 0.00 -1.41 0.00 0.00 60.65 58.24 2rka s ILE 66 Cb 0.11 -0.60 -0.03 0.00 0.13 0.00 0.00 42.46 42.07 2rka s ILE 66 CO 0.81 -0.59 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.92 2rka s ARG 67 N -2.07 2.22 0.10 3.50 0.52 0.09 -4.03 118.95 119.27 2rka s ARG 67 Ca -0.10 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 53.94 2rka s ARG 67 Cb -0.05 -2.19 -0.06 0.00 0.52 0.00 0.00 34.95 33.17 2rka s ARG 67 CO -0.03 0.57 1.03 0.21 0.02 0.00 0.00 175.30 177.11 2rka s LYS 68 N -0.88 4.61 -0.62 3.54 2.20 -1.26 -0.16 119.74 127.16 2rka s LYS 68 Ca 0.12 1.56 -0.21 0.00 -0.36 0.00 0.00 55.97 57.08 2rka s LYS 68 Cb -0.10 -3.36 0.08 0.00 -1.51 0.00 0.00 37.83 32.93 2rka s LYS 68 CO 0.01 0.06 0.85 -0.51 -0.36 0.00 0.00 175.35 175.40 2rka s LEU 69 N 0.25 4.78 0.57 5.43 1.43 0.24 -4.90 118.68 126.48 2rka s LEU 69 Ca 0.50 -1.12 0.37 0.00 -1.03 0.00 0.00 54.13 52.85 2rka s LEU 69 Cb -0.25 -2.39 1.83 0.00 0.03 0.00 0.00 46.19 45.40 2rka s LEU 69 CO 0.31 -1.28 2.13 0.07 0.23 0.00 0.00 176.35 177.80 2rka h LYS 70 N 9.38 0.00 0.00 1.70 2.10 -1.80 -2.61 116.57 125.34 2rka h LYS 70 Ca -0.29 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.30 2rka h LYS 70 Cb 1.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2rka h LYS 70 CO 1.14 0.00 -0.29 -0.22 -2.00 0.00 0.00 179.45 178.08 2rka h LYS 71 N 0.00 0.00 -5.82 0.07 3.64 -1.35 -3.47 116.57 109.64 2rka h LYS 71 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 2rka h LYS 71 Cb 0.23 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.96 2rka h LYS 71 CO 0.00 0.29 -0.50 0.71 -2.27 0.00 0.00 179.45 177.68 2rka s TYR 72 N -3.67 2.48 -0.56 1.91 2.02 -0.98 -5.02 117.35 113.53 2rka s TYR 72 Ca 0.00 -0.64 -0.24 0.00 -0.37 0.00 0.00 57.07 55.82 2rka s TYR 72 Cb 0.11 -1.91 0.04 0.00 -0.40 0.00 0.00 41.96 39.80 2rka s TYR 72 CO 0.66 0.18 0.94 0.34 -1.57 0.00 0.00 175.55 176.10 2rka s ASP 73 N -3.90 6.33 -1.27 2.29 2.15 -1.23 -4.38 116.67 116.66 2rka s ASP 73 Ca 0.37 -0.40 -0.02 0.00 0.43 0.00 0.00 52.55 52.94 2rka s ASP 73 Cb 0.04 -2.43 0.01 0.00 -0.30 0.00 0.00 42.92 40.23 2rka s ASP 73 CO 0.21 -1.23 0.91 -3.20 -0.17 0.00 0.00 175.17 171.68 2rka n ASN 74 N 7.46 -2.30 -4.50 -0.34 4.05 -1.26 -1.09 115.26 117.27 2rka n ASN 74 Ca 0.01 -0.69 -0.30 0.00 0.45 0.00 0.00 54.58 54.05 2rka n ASN 74 Cb 0.47 -4.69 -0.11 0.00 1.23 0.00 0.00 39.78 36.68 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 -1.09 0.49 -0.07 0.00 0.52 -0.75 -0.59 118.94 117.45 2rka s TRP 76 Ca 0.18 -0.63 0.02 0.00 0.02 0.00 0.00 56.10 55.68 2rka s TRP 76 Cb -0.11 -0.32 0.02 0.00 -1.15 0.00 0.00 33.47 31.91 2rka s TRP 76 CO 0.09 -0.18 -0.11 -1.17 0.02 0.00 0.00 176.95 175.60 2rka s LEU 77 N -1.86 1.55 -0.10 2.99 2.96 0.77 -0.16 118.68 124.83 2rka s LEU 77 Ca -0.08 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.54 2rka s LEU 77 Cb -0.06 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 2rka s LEU 77 CO -0.02 -0.00 -0.10 0.00 -1.32 0.00 0.00 176.35 174.90 2rka s ALA 78 N 0.88 2.78 -0.14 5.97 0.00 0.34 -0.73 121.76 130.86 2rka s ALA 78 Ca -0.10 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2rka s ALA 78 Cb -0.15 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.75 2rka s ALA 78 CO 0.01 0.39 -0.16 -0.51 0.00 0.00 0.00 175.76 175.49 2rka s LEU 79 N -0.18 2.47 0.38 0.00 1.43 -1.26 -0.47 118.68 121.05 2rka s LEU 79 Ca 0.01 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.70 2rka s LEU 79 Cb -0.13 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2rka s LEU 79 CO 0.03 0.12 0.56 0.42 0.23 0.00 0.00 176.35 177.71 2rka s THR 80 N 0.58 4.02 0.12 5.49 -4.23 -1.26 -4.77 115.64 115.59 2rka s THR 80 Ca -0.10 -0.79 -0.34 0.00 -1.18 0.00 0.00 61.69 59.28 2rka s THR 80 Cb -0.16 -3.43 -0.14 0.00 1.34 0.00 0.00 72.50 70.11 2rka s THR 80 CO 0.03 -0.22 1.61 -0.67 -0.54 0.00 0.00 174.62 174.83 2rka n ASP 81 N -1.83 3.08 0.24 3.99 -0.08 -1.26 -4.88 116.55 115.81 2rka n ASP 81 Ca 0.01 1.07 0.15 0.00 -1.51 0.00 0.00 54.79 54.50 2rka n ASP 81 Cb 0.58 -1.41 0.78 0.00 2.34 0.00 0.00 41.12 43.41 2rka n ASP 81 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2rka h PRO 82 N 6.37 0.00 0.00 -0.67 0.13 -1.97 -0.16 132.00 135.70 2rka h PRO 82 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2rka h PRO 82 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2rka h PRO 82 CO 0.89 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.66 2rka h ARG 83 N 0.00 0.00 -3.07 0.86 3.08 -2.01 -3.40 114.38 109.84 2rka h ARG 83 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 2rka h ARG 83 Cb 0.21 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.85 2rka h ARG 83 CO 0.00 0.00 -0.64 0.34 -1.07 0.00 0.00 179.97 178.60 2rka s ASP 84 N -6.06 4.26 0.00 7.04 2.15 -0.07 -4.88 116.67 119.11 2rka s ASP 84 Ca 0.07 -3.46 0.00 0.00 0.43 0.00 0.00 52.55 49.58 2rka s ASP 84 Cb 0.06 -1.46 0.00 0.00 -0.30 0.00 0.00 42.92 41.22 2rka s ASP 84 CO 0.65 -0.14 0.32 1.33 -0.17 0.00 0.00 175.17 177.16 2rka n VAL 85 N 2.47 0.08 -3.54 1.11 0.24 -1.26 -4.58 118.33 112.85 2rka n VAL 85 Ca 0.16 -0.28 -0.07 0.00 -2.04 0.00 0.00 64.34 62.11 2rka n VAL 85 Cb 0.35 1.40 -0.02 0.00 -1.47 0.00 0.00 33.84 34.10 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 -0.08 -1.90 0.22 2.33 0.00 -1.26 -4.80 121.76 116.27 2rka s ALA 86 Ca 0.00 1.18 -0.32 0.00 0.00 0.00 0.00 51.96 52.82 2rka s ALA 86 Cb 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 23.12 23.23 2rka s ALA 86 CO 0.00 -0.67 1.34 0.54 0.00 0.00 0.00 175.76 176.98 2rka n ARG 87 N -0.20 1.80 -3.91 0.00 1.74 -1.26 -4.89 116.66 109.94 2rka n ARG 87 Ca -0.06 0.64 -0.34 0.00 -0.77 0.00 0.00 57.85 57.32 2rka n ARG 87 Cb 0.61 -2.26 -0.13 0.00 -1.02 0.00 0.00 32.46 29.65 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 -0.09 2.85 0.19 0.55 1.01 -1.26 -4.99 121.20 119.46 2rka s ILE 88 Ca 0.70 -1.77 -0.10 0.00 0.00 0.00 0.00 60.65 59.47 2rka s ILE 88 Cb -0.70 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.07 2rka s ILE 88 CO 0.50 -0.35 1.74 -0.08 0.00 0.00 0.00 174.94 176.76 2rka h GLU 89 N 7.91 1.03 -0.00 2.79 4.81 -1.93 -2.91 114.58 126.27 2rka h GLU 89 Ca -0.16 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2rka h GLU 89 Cb 1.05 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.26 2rka h GLU 89 CO 0.57 0.86 0.00 0.66 -0.73 0.00 0.00 179.01 180.37 2rka h SER 90 N 0.97 0.00 -0.25 1.04 4.64 -2.02 -1.39 113.55 116.54 2rka h SER 90 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2rka h SER 90 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2rka h SER 90 CO -0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.23 2rka n LYS 91 N -3.29 2.80 -4.03 4.77 5.02 -1.11 -4.95 118.16 117.38 2rka n LYS 91 Ca -0.03 -2.56 -0.35 0.00 -2.02 0.00 0.00 58.31 53.35 2rka n LYS 91 Cb 0.08 -1.63 -0.13 0.00 -0.02 0.00 0.00 35.03 33.32 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 -2.27 3.84 0.04 -0.18 2.01 -0.52 -0.60 115.64 117.95 2rka s THR 92 Ca 0.35 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 2rka s THR 92 Cb 0.26 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 2rka s THR 92 CO 0.10 0.42 -0.04 0.68 -0.69 0.00 0.00 174.62 175.09 2rka s VAL 93 N 1.14 0.24 -0.05 3.82 -7.23 -0.27 -4.50 120.40 113.55 2rka s VAL 93 Ca 0.03 -1.38 0.06 0.00 -1.81 0.00 0.00 61.98 58.87 2rka s VAL 93 Cb -0.14 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 2rka s VAL 93 CO 0.01 -0.73 -0.24 -0.63 -0.31 0.00 0.00 175.10 173.20 2rka s ILE 94 N -2.66 1.93 -0.25 -0.62 1.01 -0.22 -1.54 121.20 118.86 2rka s ILE 94 Ca -0.04 -1.00 -0.07 0.00 0.00 0.00 0.00 60.65 59.54 2rka s ILE 94 Cb -0.01 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2rka s ILE 94 CO -0.05 0.54 0.06 -0.63 0.00 0.00 0.00 174.94 174.86 2rka s ILE 95 N -0.16 4.25 0.09 2.92 1.09 0.48 -1.37 121.20 128.50 2rka s ILE 95 Ca -0.02 -0.19 -0.01 0.00 -1.10 0.00 0.00 60.65 59.33 2rka s ILE 95 Cb -0.13 -2.99 -0.04 0.00 -1.06 0.00 0.00 42.46 38.25 2rka s ILE 95 CO 0.03 0.35 0.00 0.42 -0.10 0.00 0.00 174.94 175.64 2rka s THR 96 N 1.60 0.21 0.13 2.92 -4.23 -1.25 -4.30 115.64 110.72 2rka s THR 96 Ca 0.06 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.52 2rka s THR 96 Cb -0.15 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 2rka s THR 96 CO 0.03 -0.76 1.73 -0.61 -0.54 0.00 0.00 174.62 174.48 2rka h GLN 97 N 3.01 0.12 -5.87 3.99 4.15 -1.98 -3.41 115.11 115.12 2rka h GLN 97 Ca -0.35 -0.01 -0.67 0.00 0.77 0.00 0.00 58.65 58.40 2rka h GLN 97 Cb 1.17 -0.03 -0.20 0.00 0.21 0.00 0.00 27.48 28.63 2rka h GLN 97 CO 0.63 0.08 -0.69 -1.21 -1.93 0.00 0.00 178.83 175.71 2rka s GLU 98 N -6.18 3.03 0.30 1.69 0.41 -1.26 -4.92 118.70 111.77 2rka s GLU 98 Ca -0.13 -0.54 0.01 0.00 -0.41 0.00 0.00 54.97 53.89 2rka s GLU 98 Cb 0.10 -2.68 0.53 0.00 -1.78 0.00 0.00 34.13 30.30 2rka s GLU 98 CO 0.69 0.53 1.90 0.37 -0.49 0.00 0.00 175.26 178.27 2rka h GLN 99 N 5.70 1.00 0.00 1.61 4.15 -1.94 -2.77 115.11 122.85 2rka h GLN 99 Ca -0.43 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 2rka h GLN 99 Cb 1.18 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 2rka h GLN 99 CO 0.55 0.66 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.99 2rka h ARG 100 N 1.03 0.00 0.00 1.69 2.43 -1.96 -0.70 114.38 116.87 2rka h ARG 100 Ca 0.40 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.52 2rka h ARG 100 Cb 0.23 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2rka h ARG 100 CO -0.16 0.03 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.67 2rka h ASP 101 N 0.00 0.00 0.04 -3.80 3.32 -1.91 -3.34 116.42 110.73 2rka h ASP 101 Ca -0.00 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.68 2rka h ASP 101 Cb 0.32 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.83 2rka h ASP 101 CO 0.00 0.23 -2.14 0.41 -1.72 0.00 0.00 179.24 176.03 2rka n THR 102 N -3.36 1.60 -4.00 0.35 -1.04 -0.35 -1.27 114.28 106.22 2rka n THR 102 Ca 0.00 -0.47 -0.09 0.00 -2.04 0.00 0.00 64.05 61.45 2rka n THR 102 Cb 0.45 -1.71 -0.11 0.00 -1.82 0.00 0.00 70.33 67.14 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 -2.50 0.17 0.53 12.58 -7.23 -0.69 -2.09 120.40 121.16 2rka s VAL 103 Ca -0.31 -0.98 -0.20 0.00 -1.81 0.00 0.00 61.98 58.68 2rka s VAL 103 Cb 0.09 -0.36 -0.06 0.00 0.56 0.00 0.00 36.38 36.61 2rka s VAL 103 CO 0.63 -0.51 1.17 -2.84 -0.31 0.00 0.00 175.10 173.24 2rka s PRO 104 N -1.60 3.36 -0.37 4.82 0.02 -1.26 -3.96 135.00 136.01 2rka s PRO 104 Ca -0.14 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 62.34 2rka s PRO 104 Cb -0.09 -2.12 0.01 0.00 0.02 0.00 0.00 34.50 32.33 2rka s PRO 104 CO -0.01 -0.87 1.25 0.42 -0.33 0.00 0.00 177.00 177.45 2rka s ILE 105 N -1.63 4.16 0.39 2.83 -1.09 -1.26 -4.92 121.20 119.68 2rka s ILE 105 Ca 0.71 1.26 -0.24 0.00 -2.23 0.00 0.00 60.65 60.15 2rka s ILE 105 Cb -0.28 -4.32 -0.09 0.00 -1.58 0.00 0.00 42.46 36.19 2rka s ILE 105 CO 0.32 -0.67 1.06 -2.16 -1.23 0.00 0.00 174.94 172.26 2rka s PRO 106 N 4.34 4.17 0.33 2.79 0.04 -1.26 -4.75 135.00 140.65 2rka s PRO 106 Ca 0.54 1.55 0.05 0.00 0.04 0.00 0.00 61.00 63.18 2rka s PRO 106 Cb -0.13 -2.58 0.59 0.00 0.04 0.00 0.00 34.50 32.42 2rka s PRO 106 CO 0.26 -0.15 1.85 0.87 0.04 0.00 0.00 177.00 179.87 2rka h LYS 107 N 2.56 0.47 0.00 4.56 1.57 -1.15 -2.76 116.57 121.81 2rka h LYS 107 Ca -0.48 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.18 2rka h LYS 107 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2rka h LYS 107 CO 0.62 0.56 0.00 0.66 -0.57 0.00 0.00 179.45 180.72 2rka h SER 108 N 0.44 0.00 0.00 0.86 4.64 -1.92 -3.47 113.55 114.10 2rka h SER 108 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2rka h SER 108 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2rka h SER 108 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2rka n GLY 109 N 0.91 0.91 3.01 -0.77 0.00 -1.04 -5.03 105.19 103.18 2rka n GLY 109 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2rka n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rka s GLN 110 N -0.82 2.21 0.04 1.61 -0.21 -1.26 -4.91 119.66 116.32 2rka s GLN 110 Ca 0.00 -0.66 -0.24 0.00 0.02 0.00 0.00 55.36 54.48 2rka s GLN 110 Cb 0.00 -2.22 -0.05 0.00 1.00 0.00 0.00 33.01 31.74 2rka s GLN 110 CO 0.00 -0.30 0.74 0.45 -2.12 0.00 0.00 175.29 174.06 2rka s SER 111 N 1.46 7.18 0.00 5.90 0.15 -1.26 -4.91 113.70 122.22 2rka s SER 111 Ca 0.03 1.41 0.20 0.00 0.70 0.00 0.00 55.95 58.29 2rka s SER 111 Cb -0.14 -2.45 0.53 0.00 -1.71 0.00 0.00 66.02 62.25 2rka s SER 111 CO -0.10 0.02 1.44 0.00 1.20 0.00 0.00 173.24 175.81 2rka n GLN 112 N 2.81 2.26 -0.20 5.44 6.02 -1.26 -4.50 117.38 127.95 2rka n GLN 112 Ca -0.03 -1.92 0.06 0.00 -0.01 0.00 0.00 57.00 55.10 2rka n GLN 112 Cb 0.50 -1.46 0.17 0.00 1.02 0.00 0.00 30.24 30.48 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 1.10 3.04 0.00 1.08 4.77 -1.26 -4.86 117.00 120.87 2rka n LEU 113 Ca 0.19 -2.02 0.00 0.00 -0.03 0.00 0.00 56.01 54.14 2rka n LEU 113 Cb 0.49 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2rka n LEU 113 CO 0.14 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2rka n GLY 114 N 0.59 0.38 2.65 -0.72 0.00 -1.26 -4.72 105.19 102.12 2rka n GLY 114 Ca 0.13 -1.50 -0.27 0.00 0.00 0.00 0.00 46.02 44.38 2rka n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2rka s ARG 115 N -1.72 0.33 0.09 1.61 3.52 -1.26 -4.82 118.95 116.70 2rka s ARG 115 Ca 0.00 -0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 55.08 2rka s ARG 115 Cb 0.00 -1.86 -0.07 0.00 -1.56 0.00 0.00 34.95 31.47 2rka s ARG 115 CO 0.00 -0.72 0.60 -0.46 -0.81 0.00 0.00 175.30 173.90 2rka s TRP 116 N 2.00 3.81 -0.04 5.12 -0.00 -1.26 -1.05 118.94 127.51 2rka s TRP 116 Ca 0.02 1.31 0.04 0.00 -0.00 0.00 0.00 56.10 57.48 2rka s TRP 116 Cb -0.16 -2.53 -0.00 0.00 -0.00 0.00 0.00 33.47 30.78 2rka s TRP 116 CO -0.13 0.57 -0.17 1.41 -0.00 0.00 0.00 176.95 178.62 2rka s MET 117 N -1.18 1.72 0.74 5.86 -2.45 -0.47 -4.88 119.30 118.64 2rka s MET 117 Ca 0.31 -0.60 -0.14 0.00 -1.25 0.00 0.00 55.69 54.01 2rka s MET 117 Cb -0.20 -1.51 0.04 0.00 1.25 0.00 0.00 34.83 34.41 2rka s MET 117 CO 0.20 0.25 1.15 -1.54 1.05 0.00 0.00 175.02 176.13 2rka s SER 118 N -0.00 4.37 0.31 1.11 1.04 -1.26 -3.91 113.70 115.36 2rka s SER 118 Ca -0.03 2.12 0.02 0.00 0.48 0.00 0.00 55.95 58.55 2rka s SER 118 Cb -0.11 -2.56 0.52 0.00 0.10 0.00 0.00 66.02 63.97 2rka s SER 118 CO 0.02 -2.13 1.86 -0.08 0.98 0.00 0.00 173.24 173.89 2rka h GLU 119 N -0.54 0.67 -0.45 4.02 4.81 -1.92 -1.19 114.58 119.98 2rka h GLU 119 Ca -0.46 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.52 2rka h GLU 119 Cb 1.26 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2rka h GLU 119 CO 0.50 0.64 -0.16 1.05 -0.73 0.00 0.00 179.01 180.31 2rka h GLU 120 N 0.65 0.91 -0.56 1.92 9.09 -1.97 -0.71 114.58 123.90 2rka h GLU 120 Ca 0.14 -0.37 -0.06 0.00 0.05 0.00 0.00 59.36 59.12 2rka h GLU 120 Cb 0.29 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.33 2rka h GLU 120 CO 0.00 1.02 0.13 -0.44 0.05 0.00 0.00 179.01 179.78 2rka h ASP 121 N 0.74 0.86 -0.57 3.06 3.32 -1.89 -2.84 116.42 119.11 2rka h ASP 121 Ca 0.11 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.83 2rka h ASP 121 Cb 0.72 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 2rka h ASP 121 CO 0.05 0.87 -0.01 0.15 -1.72 0.00 0.00 179.24 178.59 2rka h PHE 122 N 0.81 1.11 -0.73 4.55 3.57 -1.04 -2.02 116.94 123.17 2rka h PHE 122 Ca 0.18 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.54 2rka h PHE 122 Cb 0.35 -0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 2rka h PHE 122 CO 0.02 0.99 0.43 1.49 -2.23 0.00 0.00 178.31 179.02 2rka h GLU 123 N 0.90 0.76 -0.54 1.11 4.81 -1.06 0.42 114.58 120.98 2rka h GLU 123 Ca 0.16 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 2rka h GLU 123 Cb 0.56 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2rka h GLU 123 CO 0.03 0.50 0.21 0.87 -0.73 0.00 0.00 179.01 179.89 2rka h LYS 124 N 0.79 0.81 -0.40 1.92 1.57 -1.35 -1.19 116.57 118.72 2rka h LYS 124 Ca 0.32 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2rka h LYS 124 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2rka h LYS 124 CO -0.18 0.71 0.17 0.00 -0.57 0.00 0.00 179.45 179.58 2rka h ALA 125 N 1.06 0.52 0.01 3.86 0.00 -0.67 -2.40 119.26 121.64 2rka h ALA 125 Ca 0.18 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2rka h ALA 125 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2rka h ALA 125 CO -0.01 0.11 -0.10 0.35 0.00 0.00 0.00 179.25 179.59 2rka h PHE 126 N 0.50 -0.26 0.00 0.00 3.57 -0.06 -2.50 116.94 118.19 2rka h PHE 126 Ca 0.13 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2rka h PHE 126 Cb 0.17 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2rka h PHE 126 CO -0.00 -0.16 -0.02 -0.91 -2.23 0.00 0.00 178.31 174.99 2rka h ASN 127 N -0.18 0.00 0.09 0.41 2.35 -1.13 -1.09 115.58 116.03 2rka h ASN 127 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2rka h ASN 127 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 2rka h ASN 127 CO -0.10 0.02 -0.05 0.00 -1.65 0.00 0.00 177.43 175.65 2rka n ALA 128 N -2.25 2.70 0.06 -0.83 0.00 -0.91 -4.55 120.51 114.73 2rka n ALA 128 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2rka n ALA 128 Cb 0.11 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.40 0.00 0.08 0.00 1.74 -0.50 -4.96 116.66 112.62 2rka n ARG 129 Ca 0.18 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.15 2rka n ARG 129 Cb 0.29 -0.37 -0.04 0.00 -1.02 0.00 0.00 32.46 31.32 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 0.46 -1.88 -1.55 -1.00 -1.58 -3.41 116.94 107.98 2rka h PHE 130 Ca 0.00 -0.26 -0.65 0.00 2.81 0.00 0.00 57.97 59.87 2rka h PHE 130 Cb 0.14 -0.05 0.02 0.00 3.61 0.00 0.00 35.95 39.67 2rka h PHE 130 CO 0.00 1.09 1.05 -2.30 -1.61 0.00 0.00 178.31 176.54 2rka n PRO 131 N -3.69 1.88 -0.96 1.51 -0.02 -1.26 -1.25 135.00 131.21 2rka n PRO 131 Ca -0.05 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2rka n PRO 131 Cb 0.84 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 4.39 0.41 0.30 -1.23 0.00 0.55 -4.92 105.19 104.69 2rka n GLY 132 Ca 0.24 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.45 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 -3.22 3.11 -1.58 0.00 2.81 0.20 -2.99 117.12 115.46 2rka n MET 134 Ca -0.01 -2.54 -0.52 0.00 -1.81 0.00 0.00 57.70 52.81 2rka n MET 134 Cb 0.19 -1.59 -0.06 0.00 -0.71 0.00 0.00 33.22 31.05 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 0.84 1.05 -0.92 0.03 3.00 -0.94 -0.66 118.16 120.56 2rka n LYS 135 Ca 0.20 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 2rka n LYS 135 Cb 0.67 -1.99 0.00 0.00 0.00 0.00 0.00 35.03 33.70 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 2.39 0.54 3.55 3.14 0.00 -1.26 -0.20 105.19 113.35 2rka n GLY 136 Ca 0.18 0.00 -0.26 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 -0.42 1.83 -0.08 1.61 0.52 0.16 -4.79 118.95 117.77 2rka s ARG 137 Ca 0.00 -1.94 -0.22 0.00 -0.52 0.00 0.00 55.73 53.05 2rka s ARG 137 Cb 0.00 -1.71 -0.04 0.00 0.52 0.00 0.00 34.95 33.73 2rka s ARG 137 CO 0.00 0.14 0.64 0.99 0.02 0.00 0.00 175.30 177.09 2rka s THR 138 N -2.61 5.09 -0.38 0.02 2.01 -1.26 -0.20 115.64 118.31 2rka s THR 138 Ca 0.33 1.31 -0.21 0.00 0.31 0.00 0.00 61.69 63.42 2rka s THR 138 Cb 0.03 -3.98 0.01 0.00 0.01 0.00 0.00 72.50 68.57 2rka s THR 138 CO 0.17 0.27 0.69 -0.32 -0.69 0.00 0.00 174.62 174.74 2rka s MET 139 N 0.75 3.63 0.04 4.92 1.75 0.48 -4.17 119.30 126.70 2rka s MET 139 Ca 0.34 0.06 -0.20 0.00 -1.25 0.00 0.00 55.69 54.64 2rka s MET 139 Cb -0.17 -3.84 -0.06 0.00 2.84 0.00 0.00 34.83 33.60 2rka s MET 139 CO 0.16 -0.83 0.59 0.71 -0.65 0.00 0.00 175.02 175.00 2rka s TYR 140 N 2.87 3.76 -0.31 4.11 1.51 0.90 -1.01 117.35 129.19 2rka s TYR 140 Ca 0.26 1.26 -0.05 0.00 -1.01 0.00 0.00 57.07 57.53 2rka s TYR 140 Cb -0.14 -2.55 0.03 0.00 -0.11 0.00 0.00 41.96 39.19 2rka s TYR 140 CO 0.17 0.49 0.06 0.08 -1.11 0.00 0.00 175.55 175.24 2rka s VAL 141 N -0.74 3.60 -0.43 0.71 1.01 0.40 -1.94 120.40 123.00 2rka s VAL 141 Ca 0.30 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 2rka s VAL 141 Cb -0.19 -2.97 0.09 0.00 0.00 0.00 0.00 36.38 33.31 2rka s VAL 141 CO 0.19 -0.06 0.29 -0.63 0.00 0.00 0.00 175.10 174.89 2rka s ILE 142 N 1.39 4.32 -0.29 2.22 1.01 0.42 -1.04 121.20 129.23 2rka s ILE 142 Ca -0.01 -1.45 -0.24 0.00 0.00 0.00 0.00 60.65 58.95 2rka s ILE 142 Cb -0.19 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2rka s ILE 142 CO 0.01 -0.57 0.82 -2.16 0.00 0.00 0.00 174.94 173.05 2rka s PRO 143 N 1.43 4.04 0.04 2.79 0.05 -1.26 -1.22 135.00 140.87 2rka s PRO 143 Ca 0.04 0.73 0.04 0.00 0.05 0.00 0.00 61.00 61.85 2rka s PRO 143 Cb -0.24 -3.70 -0.02 0.00 0.05 0.00 0.00 34.50 30.59 2rka s PRO 143 CO 0.02 -0.65 -0.11 -0.59 0.05 0.00 0.00 177.00 175.72 2rka s PHE 144 N 2.98 0.93 -0.15 0.56 -0.71 -0.34 -1.11 117.98 120.14 2rka s PHE 144 Ca 0.34 -0.41 -0.05 0.00 -1.04 0.00 0.00 56.93 55.78 2rka s PHE 144 Cb -0.14 -0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 41.09 2rka s PHE 144 CO 0.11 -0.01 0.01 0.45 -1.34 0.00 0.00 175.22 174.45 2rka s SER 145 N -1.35 5.24 -0.51 1.98 0.15 0.45 -0.27 113.70 119.40 2rka s SER 145 Ca -0.04 0.02 -0.19 0.00 0.70 0.00 0.00 55.95 56.44 2rka s SER 145 Cb -0.09 -1.79 0.06 0.00 -1.71 0.00 0.00 66.02 62.49 2rka s SER 145 CO 0.01 0.22 0.63 -0.04 1.20 0.00 0.00 173.24 175.26 2rka s MET 146 N 0.07 3.13 0.00 5.44 -1.94 0.79 -2.77 119.30 124.02 2rka s MET 146 Ca 0.03 -0.87 0.00 0.00 -1.71 0.00 0.00 55.69 53.13 2rka s MET 146 Cb -0.13 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.62 2rka s MET 146 CO 0.02 -1.22 0.00 0.41 -0.01 0.00 0.00 175.02 174.21 2rka n GLY 147 N 5.17 2.47 3.61 -0.03 0.00 0.13 -1.82 105.19 114.72 2rka n GLY 147 Ca -0.06 -1.90 -0.49 0.00 0.00 0.00 0.00 46.02 43.57 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 1.32 1.43 -1.68 1.61 -0.02 -1.26 -4.78 135.00 131.61 2rka n PRO 148 Ca 0.00 0.51 -0.47 0.00 -2.02 0.00 0.00 63.50 61.52 2rka n PRO 148 Cb 0.00 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 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 2.50 3.37 0.00 2.45 7.94 -1.26 -0.74 117.00 131.26 2rka n LEU 149 Ca 0.16 1.01 0.00 0.00 -1.11 0.00 0.00 56.01 56.07 2rka n LEU 149 Cb 0.24 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.79 2rka n LEU 149 CO 0.62 -0.12 0.00 0.61 -1.11 0.00 0.00 177.39 177.39 2rka n GLY 150 N 4.07 0.50 3.76 -3.96 0.00 -1.26 -5.04 105.19 103.25 2rka n GLY 150 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 6.62 0.33 1.61 0.15 0.08 -4.90 113.70 115.53 2rka s SER 151 Ca 0.00 2.76 0.23 0.00 0.70 0.00 0.00 55.95 59.64 2rka s SER 151 Cb 0.00 -2.64 1.20 0.00 -1.71 0.00 0.00 66.02 62.88 2rka s SER 151 CO 0.00 -0.70 1.71 1.55 1.20 0.00 0.00 173.24 177.00 2rka h PRO 152 N 4.22 0.00 0.00 5.44 0.13 -1.90 -2.04 132.00 137.85 2rka h PRO 152 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2rka h PRO 152 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rka h PRO 152 CO 0.72 0.00 -0.92 1.28 -0.23 0.00 0.00 178.00 178.85 2rka n LEU 153 N -2.30 0.67 -4.79 1.56 4.77 -1.26 -4.97 117.00 110.67 2rka n LEU 153 Ca -0.01 -0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 55.49 2rka n LEU 153 Cb 0.07 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 2rka n LEU 153 CO 0.12 0.12 0.73 0.00 -1.33 0.00 0.00 177.39 177.03 2rka s ALA 154 N -3.10 2.78 0.02 -1.18 0.00 -0.77 -4.95 121.76 114.55 2rka s ALA 154 Ca 0.06 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.62 2rka s ALA 154 Cb 0.16 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 2rka s ALA 154 CO 0.80 -0.60 -0.05 0.15 0.00 0.00 0.00 175.76 176.05 2rka s LYS 155 N -3.53 0.40 -0.03 0.00 1.02 -0.75 -4.95 119.74 111.90 2rka s LYS 155 Ca 0.67 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 56.15 2rka s LYS 155 Cb -0.18 -0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 2rka s LYS 155 CO 0.27 0.04 0.06 0.42 -0.92 0.00 0.00 175.35 175.22 2rka s ILE 156 N -0.95 4.60 0.20 2.17 1.01 -1.26 -0.15 121.20 126.83 2rka s ILE 156 Ca -0.07 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.26 2rka s ILE 156 Cb -0.07 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 2rka s ILE 156 CO -0.00 0.42 -0.10 -0.83 0.00 0.00 0.00 174.94 174.42 2rka s GLY 157 N -1.51 1.39 -0.19 6.18 0.00 0.62 -1.56 107.32 112.25 2rka s GLY 157 Ca 0.20 -1.65 0.01 0.00 0.00 0.00 0.00 44.72 43.27 2rka s GLY 157 CO 0.11 -1.71 -0.10 -0.42 0.00 0.00 0.00 173.10 170.98 2rka s ILE 158 N -3.13 1.54 -0.21 0.90 -1.09 -0.63 -1.20 121.20 117.37 2rka s ILE 158 Ca 0.22 -0.89 -0.07 0.00 -2.23 0.00 0.00 60.65 57.68 2rka s ILE 158 Cb 0.02 -1.61 -0.03 0.00 -1.58 0.00 0.00 42.46 39.25 2rka s ILE 158 CO 0.06 0.20 0.06 -0.70 -1.23 0.00 0.00 174.94 173.33 2rka s GLU 159 N 1.45 3.81 -0.12 2.79 2.12 -0.36 -1.10 118.70 127.29 2rka s GLU 159 Ca -0.00 -0.42 -0.11 0.00 0.36 0.00 0.00 54.97 54.80 2rka s GLU 159 Cb -0.16 -3.24 -0.05 0.00 0.26 0.00 0.00 34.13 30.94 2rka s GLU 159 CO -0.08 0.07 0.24 -0.51 -0.54 0.00 0.00 175.26 174.44 2rka s LEU 160 N 0.93 4.32 0.00 2.70 1.43 0.24 -0.44 118.68 127.87 2rka s LEU 160 Ca 0.04 0.54 -0.18 0.00 -1.03 0.00 0.00 54.13 53.49 2rka s LEU 160 Cb -0.14 -2.28 0.03 0.00 0.03 0.00 0.00 46.19 43.83 2rka s LEU 160 CO 0.03 0.25 0.39 0.28 0.23 0.00 0.00 176.35 177.52 2rka s THR 161 N -0.28 0.05 -0.69 5.49 -1.32 -0.82 -0.38 115.64 117.69 2rka s THR 161 Ca 0.16 -0.42 0.16 0.00 -1.21 0.00 0.00 61.69 60.39 2rka s THR 161 Cb -0.13 -0.79 0.70 0.00 -1.51 0.00 0.00 72.50 70.77 2rka s THR 161 CO 0.05 -0.23 1.62 -0.90 -2.21 0.00 0.00 174.62 172.95 2rka n ASP 162 N 0.96 4.85 -4.13 8.08 5.68 -1.24 -0.07 116.55 130.67 2rka n ASP 162 Ca -0.20 -2.66 -0.33 0.00 -0.50 0.00 0.00 54.79 51.09 2rka n ASP 162 Cb 0.57 -0.59 -0.15 0.00 -1.14 0.00 0.00 41.12 39.82 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 4.03 0.54 -1.12 0.15 -1.26 -4.77 113.70 110.24 2rka s SER 163 Ca 0.49 -1.01 0.28 0.00 0.70 0.00 0.00 55.95 56.42 2rka s SER 163 Cb 0.35 -1.57 1.57 0.00 -1.71 0.00 0.00 66.02 64.66 2rka s SER 163 CO 0.19 -0.12 2.13 1.55 1.20 0.00 0.00 173.24 178.20 2rka h PRO 164 N 7.90 0.00 -0.66 5.44 0.13 -1.93 -2.50 132.00 140.38 2rka h PRO 164 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.80 2rka h PRO 164 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2rka h PRO 164 CO 0.55 0.08 0.35 -0.92 -0.23 0.00 0.00 178.00 177.83 2rka h TYR 165 N 0.00 0.92 -0.57 1.56 5.03 -1.96 -1.55 116.97 120.40 2rka h TYR 165 Ca -0.00 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.26 2rka h TYR 165 Cb 0.22 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.18 2rka h TYR 165 CO 0.00 0.66 0.26 0.28 -1.32 0.00 0.00 178.16 178.04 2rka h VAL 166 N 0.90 1.21 0.13 1.81 2.07 -1.80 -1.47 116.25 119.11 2rka h VAL 166 Ca 0.23 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 67.14 2rka h VAL 166 Cb 0.06 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2rka h VAL 166 CO -0.03 0.25 -0.15 0.58 0.02 0.00 0.00 177.57 178.23 2rka h VAL 167 N 0.78 0.65 -0.26 2.57 2.07 -1.16 0.16 116.25 121.07 2rka h VAL 167 Ca 0.19 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.74 2rka h VAL 167 Cb 0.14 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2rka h VAL 167 CO -0.02 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.68 2rka h ALA 168 N 0.51 0.30 -0.63 1.67 0.00 -1.23 -1.55 119.26 118.32 2rka h ALA 168 Ca 0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2rka h ALA 168 Cb 0.32 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2rka h ALA 168 CO -0.06 -0.30 0.10 0.77 0.00 0.00 0.00 179.25 179.76 2rka h SER 169 N 0.24 0.99 -0.12 0.00 0.02 -1.12 -2.68 113.55 110.88 2rka h SER 169 Ca 0.11 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 2rka h SER 169 Cb 0.06 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2rka h SER 169 CO -0.09 0.99 -0.11 0.24 -1.14 0.00 0.00 176.83 176.71 2rka h MET 170 N 0.98 0.45 -0.84 3.45 2.86 -0.53 -0.49 114.93 120.81 2rka h MET 170 Ca 0.19 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.76 2rka h MET 170 Cb 0.43 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 2rka h MET 170 CO 0.01 0.57 0.55 -0.09 1.06 0.00 0.00 176.91 179.01 2rka h ARG 171 N 0.42 0.97 0.01 1.72 2.43 -0.94 0.01 114.38 119.00 2rka h ARG 171 Ca 0.08 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.05 2rka h ARG 171 Cb 0.46 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.80 2rka h ARG 171 CO 0.03 0.64 -0.58 0.82 -1.51 0.00 0.00 179.97 179.36 2rka h ILE 172 N 0.99 1.45 0.00 1.20 2.04 -1.34 -3.37 117.51 118.48 2rka h ILE 172 Ca 0.35 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 64.10 2rka h ILE 172 Cb 0.11 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2rka h ILE 172 CO -0.11 0.61 -0.58 0.23 0.00 0.00 0.00 178.15 178.29 2rka n MET 173 N -4.24 0.24 -4.31 2.37 2.81 -0.23 -2.72 117.12 111.04 2rka n MET 173 Ca -0.11 0.08 -0.16 0.00 -1.81 0.00 0.00 57.70 55.70 2rka n MET 173 Cb 0.67 -1.66 -0.10 0.00 -0.71 0.00 0.00 33.22 31.42 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 -3.14 0.53 -0.41 2.03 -4.23 -0.03 -1.23 115.64 109.16 2rka s THR 174 Ca 0.07 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 2rka s THR 174 Cb 0.14 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.37 2rka s THR 174 CO 0.71 0.00 0.82 -0.13 -0.54 0.00 0.00 174.62 175.48 2rka s ARG 175 N -4.03 3.62 0.10 3.99 3.00 -1.12 -4.60 118.95 119.91 2rka s ARG 175 Ca 0.38 0.19 0.05 0.00 0.00 0.00 0.00 55.73 56.35 2rka s ARG 175 Cb 0.08 -3.87 -0.03 0.00 0.00 0.00 0.00 34.95 31.13 2rka s ARG 175 CO 0.14 -1.00 -0.14 0.00 0.00 0.00 0.00 175.30 174.30 2rka s MET 176 N 3.30 0.92 0.00 3.54 0.23 -1.26 -0.41 119.30 125.61 2rka s MET 176 Ca 0.32 -1.10 0.00 0.00 -1.03 0.00 0.00 55.69 53.88 2rka s MET 176 Cb -0.12 -0.85 0.00 0.00 -1.53 0.00 0.00 34.83 32.33 2rka s MET 176 CO 0.20 0.17 0.00 0.41 -2.03 0.00 0.00 175.02 173.78 2rka n GLY 177 N 0.89 0.57 0.34 3.16 0.00 -0.27 -4.25 105.19 105.63 2rka n GLY 177 Ca -0.18 -2.18 0.05 0.00 0.00 0.00 0.00 46.02 43.70 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 0.93 0.00 2.61 2.02 -1.58 -1.20 112.91 115.69 2rka h THR 178 Ca 0.00 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.85 2rka h THR 178 Cb 0.00 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.34 2rka h THR 178 CO 0.00 0.17 -0.10 0.77 0.37 0.00 0.00 175.52 176.73 2rka h SER 179 N 0.91 0.00 -0.14 4.18 4.64 -1.90 -1.02 113.55 120.23 2rka h SER 179 Ca 0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.74 2rka h SER 179 Cb 0.40 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2rka h SER 179 CO -0.25 0.10 -0.02 0.58 -0.87 0.00 0.00 176.83 176.37 2rka h VAL 180 N 0.00 1.28 -0.87 0.95 2.07 -1.52 -0.45 116.25 117.71 2rka h VAL 180 Ca -0.00 -0.92 0.06 0.00 0.82 0.00 0.00 66.70 66.66 2rka h VAL 180 Cb 0.20 1.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 2rka h VAL 180 CO 0.01 0.27 0.56 -0.07 0.02 0.00 0.00 177.57 178.37 2rka h LEU 181 N -0.03 0.86 -0.57 2.57 3.38 -1.29 0.73 115.31 120.95 2rka h LEU 181 Ca 0.04 0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2rka h LEU 181 Cb 0.42 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2rka h LEU 181 CO 0.01 0.55 -0.58 -0.33 0.09 0.00 0.00 178.44 178.18 2rka h GLU 182 N 0.97 0.42 0.00 1.13 5.08 -1.13 -2.94 114.58 118.11 2rka h GLU 182 Ca 0.37 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 2rka h GLU 182 Cb 0.21 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2rka h GLU 182 CO -0.14 0.88 -0.51 0.00 -1.00 0.00 0.00 179.01 178.24 2rka h ALA 183 N 1.06 0.95 0.03 3.43 0.00 -0.25 -3.33 119.26 121.16 2rka h ALA 183 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2rka h ALA 183 Cb 1.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2rka h ALA 183 CO 0.10 0.64 -0.01 1.25 0.00 0.00 0.00 179.25 181.22 2rka h LEU 184 N 0.00 -0.04 0.00 0.00 5.85 -0.79 -3.48 115.31 116.85 2rka h LEU 184 Ca -0.01 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2rka h LEU 184 Cb 1.04 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2rka h LEU 184 CO 0.07 0.64 0.00 0.61 -0.34 0.00 0.00 178.44 179.42 2rka n GLY 185 N 0.81 3.11 1.04 3.75 0.00 -1.12 -1.60 105.19 111.19 2rka n GLY 185 Ca -0.09 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.73 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 2.31 2.93 -4.68 1.61 8.00 -1.26 -4.74 116.55 120.72 2rka n ASP 186 Ca 0.00 -2.34 -0.29 0.00 0.71 0.00 0.00 54.79 52.87 2rka n ASP 186 Cb 0.00 -0.51 0.16 0.00 -0.02 0.00 0.00 41.12 40.74 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 -0.50 1.58 0.54 0.44 0.00 -0.63 -5.03 107.32 103.71 2rka s GLY 187 Ca 0.25 -0.54 -0.17 0.00 0.00 0.00 0.00 44.72 44.27 2rka s GLY 187 CO 0.09 0.07 1.01 -0.54 0.00 0.00 0.00 173.10 173.73 2rka s GLU 188 N -5.22 3.72 0.07 2.90 2.02 -1.26 -5.03 118.70 115.90 2rka s GLU 188 Ca 0.65 1.09 -0.10 0.00 0.02 0.00 0.00 54.97 56.63 2rka s GLU 188 Cb -0.15 -2.10 0.01 0.00 0.10 0.00 0.00 34.13 31.99 2rka s GLU 188 CO 0.55 -0.47 0.23 -0.59 0.02 0.00 0.00 175.26 175.00 2rka s PHE 189 N -2.48 0.06 -0.04 1.61 -0.71 -1.26 -4.69 117.98 110.46 2rka s PHE 189 Ca 0.61 -0.39 -0.26 0.00 -1.04 0.00 0.00 56.93 55.85 2rka s PHE 189 Cb -0.13 -0.00 -0.03 0.00 -1.21 0.00 0.00 43.02 41.65 2rka s PHE 189 CO 0.31 -0.52 0.83 0.42 -1.34 0.00 0.00 175.22 174.92 2rka s ILE 190 N -3.36 4.96 -0.35 -4.49 -1.09 -0.60 -4.94 121.20 111.33 2rka s ILE 190 Ca 0.01 1.72 -0.24 0.00 -2.23 0.00 0.00 60.65 59.92 2rka s ILE 190 Cb 0.02 -4.17 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 2rka s ILE 190 CO -0.08 0.21 0.82 -0.54 -1.23 0.00 0.00 174.94 174.11 2rka s LYS 191 N 0.92 3.81 -0.22 2.79 1.02 -0.11 -1.60 119.74 126.35 2rka s LYS 191 Ca 0.44 0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.86 2rka s LYS 191 Cb -0.19 -3.79 0.03 0.00 -0.52 0.00 0.00 37.83 33.36 2rka s LYS 191 CO 0.22 -0.84 -0.14 0.00 -0.92 0.00 0.00 175.35 173.67 2rka s LEU 193 N 1.24 2.70 -0.02 0.00 2.96 0.47 -0.59 118.68 125.44 2rka s LEU 193 Ca -0.00 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2rka s LEU 193 Cb -0.16 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.89 2rka s LEU 193 CO -0.09 0.08 -0.10 -2.28 -1.32 0.00 0.00 176.35 172.65 2rka s HIS 194 N 0.84 0.95 -0.04 5.38 5.65 0.49 -0.34 115.29 128.22 2rka s HIS 194 Ca -0.03 -0.21 -0.04 0.00 0.25 0.00 0.00 55.06 55.03 2rka s HIS 194 Cb -0.15 -0.64 0.01 0.00 -1.18 0.00 0.00 32.58 30.62 2rka s HIS 194 CO 0.00 -0.06 0.11 0.45 -0.65 0.00 0.00 174.74 174.60 2rka s SER 195 N -0.04 -0.11 0.37 9.88 0.15 -0.76 -3.72 113.70 119.47 2rka s SER 195 Ca 0.01 0.22 0.27 0.00 0.70 0.00 0.00 55.95 57.15 2rka s SER 195 Cb -0.06 0.21 1.16 0.00 -1.71 0.00 0.00 66.02 65.62 2rka s SER 195 CO 0.00 -0.05 1.82 -0.37 1.20 0.00 0.00 173.24 175.84 2rka h VAL 196 N 5.08 0.00 -0.69 4.45 -1.51 -1.88 0.27 116.25 121.97 2rka h VAL 196 Ca -0.26 -0.30 -0.06 0.00 -1.23 0.00 0.00 66.70 64.85 2rka h VAL 196 Cb 1.20 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.47 2rka h VAL 196 CO 0.44 0.00 -0.08 0.61 -1.23 0.00 0.00 177.57 177.31 2rka n GLY 197 N -0.09 0.35 2.39 5.19 0.00 -1.26 -2.63 105.19 109.14 2rka n GLY 197 Ca 0.01 -0.72 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.46 3.23 0.15 0.00 0.04 -1.16 -4.86 135.00 130.94 2rka s PRO 199 Ca 0.35 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 2rka s PRO 199 Cb 0.11 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 2rka s PRO 199 CO -0.10 -1.05 0.61 -0.51 0.04 0.00 0.00 177.00 175.99 2rka s LEU 200 N -3.57 4.39 0.38 -3.56 1.43 0.72 -3.43 118.68 115.04 2rka s LEU 200 Ca 0.72 1.22 -0.26 0.00 -1.03 0.00 0.00 54.13 54.78 2rka s LEU 200 Cb -0.35 -3.27 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 2rka s LEU 200 CO 0.40 0.13 1.16 -2.16 0.23 0.00 0.00 176.35 176.10 2rka s PRO 201 N -1.75 4.14 0.24 1.29 0.04 -1.26 -4.37 135.00 133.34 2rka s PRO 201 Ca 0.37 1.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.92 2rka s PRO 201 Cb -0.17 -2.73 -0.11 0.00 0.04 0.00 0.00 34.50 31.53 2rka s PRO 201 CO 0.20 -0.24 1.62 -0.51 0.04 0.00 0.00 177.00 178.11 2rka s LEU 202 N -2.37 4.36 0.17 -3.56 1.43 -1.22 -4.92 118.68 112.58 2rka s LEU 202 Ca 0.55 2.85 0.20 0.00 -1.03 0.00 0.00 54.13 56.71 2rka s LEU 202 Cb -0.30 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.28 2rka s LEU 202 CO 0.38 -0.90 1.02 0.11 0.23 0.00 0.00 176.35 177.19 2rka h LYS 203 N 5.77 0.00 -4.87 1.70 1.57 -1.95 -3.47 116.57 115.32 2rka h LYS 203 Ca -0.45 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.04 2rka h LYS 203 Cb 1.21 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 33.35 2rka h LYS 203 CO 0.86 0.11 -0.72 0.15 -0.57 0.00 0.00 179.45 179.28 2rka s LYS 204 N -3.20 0.85 0.34 3.15 1.02 -1.26 -5.13 119.74 115.50 2rka s LYS 204 Ca -0.01 -1.21 -0.29 0.00 0.02 0.00 0.00 55.97 54.49 2rka s LYS 204 Cb 0.09 -0.45 -0.12 0.00 -0.52 0.00 0.00 37.83 36.84 2rka s LYS 204 CO 0.79 0.05 1.49 -2.30 -0.92 0.00 0.00 175.35 174.46 2rka n PRO 205 N 0.38 2.57 -2.81 -1.68 -0.02 -1.26 -4.96 135.00 127.22 2rka n PRO 205 Ca -0.15 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.82 2rka n PRO 205 Cb 0.59 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 2rka n PRO 205 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2rka s LEU 206 N -1.29 4.12 -0.24 2.45 2.96 -1.26 -5.03 118.68 120.39 2rka s LEU 206 Ca 0.58 1.20 -0.10 0.00 -0.22 0.00 0.00 54.13 55.58 2rka s LEU 206 Cb -0.51 -3.32 -0.05 0.00 0.50 0.00 0.00 46.19 42.81 2rka s LEU 206 CO 0.58 -0.52 0.16 -0.69 -1.32 0.00 0.00 176.35 174.55 2rka s VAL 207 N 2.71 5.33 -1.47 1.68 1.01 -1.26 -4.52 120.40 123.88 2rka s VAL 207 Ca 0.39 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 2rka s VAL 207 Cb -0.16 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.79 2rka s VAL 207 CO 0.09 0.34 0.89 0.59 0.00 0.00 0.00 175.10 177.01 2rka n ASN 208 N 4.33 -5.27 -3.26 3.32 3.02 -1.26 -1.44 115.26 114.70 2rka n ASN 208 Ca -0.15 -0.58 -0.20 0.00 -0.03 0.00 0.00 54.58 53.62 2rka n ASN 208 Cb 0.52 -4.21 -0.02 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.74 -2.82 -3.95 6.41 4.13 -1.26 -4.73 115.26 110.31 2rka n ASN 209 Ca -0.00 -0.26 -0.31 0.00 1.68 0.00 0.00 54.58 55.69 2rka n ASN 209 Cb 0.55 -2.40 -0.15 0.00 -1.54 0.00 0.00 39.78 36.24 2rka n ASN 209 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 2rka s TRP 210 N -2.74 3.24 0.09 3.10 -0.11 -0.52 -4.65 118.94 117.35 2rka s TRP 210 Ca 0.34 -2.68 -0.31 0.00 1.22 0.00 0.00 56.10 54.67 2rka s TRP 210 Cb -0.18 -2.62 -0.07 0.00 -1.50 0.00 0.00 33.47 29.10 2rka s TRP 210 CO 0.41 -0.93 1.38 0.00 -4.62 0.00 0.00 176.95 173.20 2rka s ALA 211 N 1.08 3.58 0.11 5.86 0.00 -1.26 -4.40 121.76 126.72 2rka s ALA 211 Ca 0.11 1.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.87 2rka s ALA 211 Cb -0.19 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.47 2rka s ALA 211 CO -0.12 -0.66 0.79 0.00 0.00 0.00 0.00 175.76 175.76 2rka s ASN 213 N -2.70 2.14 0.22 0.00 3.04 0.15 -4.83 114.94 112.96 2rka s ASN 213 Ca 0.06 -3.20 -0.07 0.00 0.04 0.00 0.00 52.86 49.68 2rka s ASN 213 Cb -0.02 -0.67 0.32 0.00 -1.54 0.00 0.00 41.25 39.34 2rka s ASN 213 CO -0.06 -0.16 1.77 -0.65 -3.04 0.00 0.00 177.10 174.96 2rka h PRO 214 N 5.63 0.55 0.00 0.43 0.11 -1.92 -1.90 132.00 134.90 2rka h PRO 214 Ca 0.24 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.28 2rka h PRO 214 Cb 0.88 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2rka h PRO 214 CO 0.44 0.37 -0.17 0.93 -0.21 0.00 0.00 178.00 179.35 2rka h GLU 215 N 0.57 0.00 -0.43 1.05 3.07 -1.95 -2.81 114.58 114.08 2rka h GLU 215 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 2rka h GLU 215 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 2rka h GLU 215 CO -0.27 0.17 0.00 1.28 -1.40 0.00 0.00 179.01 178.79 2rka n LEU 216 N -3.97 3.16 -4.69 1.33 4.77 -0.83 -5.01 117.00 111.74 2rka n LEU 216 Ca -0.02 -2.00 -0.44 0.00 -0.03 0.00 0.00 56.01 53.53 2rka n LEU 216 Cb 0.26 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2rka n LEU 216 CO 0.34 0.79 1.37 0.41 -1.33 0.00 0.00 177.39 178.97 2rka n THR 217 N 0.77 0.18 -3.66 -5.08 -1.04 -0.78 -4.65 114.28 100.02 2rka n THR 217 Ca 0.14 -0.03 -0.06 0.00 -2.04 0.00 0.00 64.05 62.06 2rka n THR 217 Cb 0.47 -1.91 -0.07 0.00 -1.82 0.00 0.00 70.33 67.00 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 1.89 -0.79 -0.34 -4.42 2.96 -0.29 -4.84 118.68 112.86 2rka s LEU 218 Ca 0.80 1.26 -0.00 0.00 -0.22 0.00 0.00 54.13 55.96 2rka s LEU 218 Cb -0.56 1.83 0.08 0.00 0.50 0.00 0.00 46.19 48.05 2rka s LEU 218 CO 0.37 -0.22 0.06 -0.63 -1.32 0.00 0.00 176.35 174.61 2rka s ILE 219 N 2.40 2.84 0.07 6.68 1.09 0.23 -0.75 121.20 133.76 2rka s ILE 219 Ca -0.05 -1.82 0.06 0.00 -1.10 0.00 0.00 60.65 57.73 2rka s ILE 219 Cb -0.10 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.43 2rka s ILE 219 CO -0.16 -0.38 -0.09 0.00 -0.10 0.00 0.00 174.94 174.21 2rka s ALA 220 N 1.13 2.97 -0.04 9.38 0.00 0.40 -1.12 121.76 134.48 2rka s ALA 220 Ca 0.02 -1.17 0.03 0.00 0.00 0.00 0.00 51.96 50.83 2rka s ALA 220 Cb -0.21 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 21.95 2rka s ALA 220 CO -0.04 0.64 -0.11 -1.01 0.00 0.00 0.00 175.76 175.23 2rka s HIS 221 N -1.15 1.26 -0.55 0.00 3.76 -0.59 -1.00 115.29 117.02 2rka s HIS 221 Ca 0.20 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.77 2rka s HIS 221 Cb -0.11 -0.91 0.17 0.00 1.11 0.00 0.00 32.58 32.84 2rka s HIS 221 CO 0.12 -0.18 0.41 -0.51 -0.85 0.00 0.00 174.74 173.72 2rka s LEU 222 N 0.40 3.10 0.41 0.89 1.02 -0.24 -0.39 118.68 123.87 2rka s LEU 222 Ca -0.08 -3.41 0.09 0.00 0.02 0.00 0.00 54.13 50.74 2rka s LEU 222 Cb -0.12 -1.04 0.89 0.00 0.02 0.00 0.00 46.19 45.94 2rka s LEU 222 CO 0.02 -0.14 2.02 1.55 0.02 0.00 0.00 176.35 179.83 2rka h PRO 223 N 5.59 0.53 0.00 1.29 0.13 -1.79 -1.34 132.00 136.42 2rka h PRO 223 Ca 0.19 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 2rka h PRO 223 Cb 0.84 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2rka h PRO 223 CO 0.54 0.35 -0.29 0.38 -0.23 0.00 0.00 178.00 178.75 2rka h ASP 224 N 0.55 0.00 -0.09 1.44 -0.00 -1.94 -2.56 116.42 113.82 2rka h ASP 224 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.24 2rka h ASP 224 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.48 2rka h ASP 224 CO -0.05 0.29 0.00 0.54 -0.00 0.00 0.00 179.24 180.02 2rka n ARG 225 N -3.60 2.27 -3.83 4.15 1.74 -0.57 -4.97 116.66 111.85 2rka n ARG 225 Ca -0.01 -1.86 -0.26 0.00 -0.77 0.00 0.00 57.85 54.95 2rka n ARG 225 Cb 0.42 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.42 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 1.22 -5.19 -4.84 5.56 5.12 -0.80 -4.87 116.66 112.85 2rka n ARG 226 Ca 0.15 0.60 -0.25 0.00 -1.93 0.00 0.00 57.85 56.42 2rka n ARG 226 Cb 0.57 -5.32 -0.16 0.00 -1.16 0.00 0.00 32.46 26.39 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 -6.36 1.52 -0.11 5.56 2.02 -0.95 -0.93 118.70 119.44 2rka s GLU 227 Ca 0.37 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.77 2rka s GLU 227 Cb -0.19 -1.43 0.00 0.00 0.10 0.00 0.00 34.13 32.62 2rka s GLU 227 CO 0.83 0.34 -0.22 0.42 0.02 0.00 0.00 175.26 176.65 2rka s ILE 228 N -0.29 1.98 -0.21 -1.63 1.01 0.14 -1.08 121.20 121.12 2rka s ILE 228 Ca 0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2rka s ILE 228 Cb -0.08 -1.73 0.06 0.00 0.01 0.00 0.00 42.46 40.72 2rka s ILE 228 CO 0.00 0.54 0.00 -0.63 0.00 0.00 0.00 174.94 174.85 2rka s ILE 229 N 0.55 0.88 -0.07 2.92 1.01 -0.17 -0.40 121.20 125.93 2rka s ILE 229 Ca -0.14 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2rka s ILE 229 Cb -0.17 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 41.00 2rka s ILE 229 CO 0.05 -0.17 -0.15 -0.55 0.00 0.00 0.00 174.94 174.11 2rka s SER 230 N 1.69 2.10 -0.02 3.58 0.15 0.54 -0.45 113.70 121.29 2rka s SER 230 Ca -0.03 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.28 2rka s SER 230 Cb -0.18 -0.89 0.01 0.00 -1.71 0.00 0.00 66.02 63.25 2rka s SER 230 CO -0.07 0.08 -0.05 0.12 1.20 0.00 0.00 173.24 174.52 2rka s PHE 231 N 0.47 0.63 0.00 3.44 5.36 0.07 -1.83 117.98 126.12 2rka s PHE 231 Ca -0.13 -0.14 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 2rka s PHE 231 Cb -0.15 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.03 2rka s PHE 231 CO 0.04 -0.09 0.00 0.41 -1.46 0.00 0.00 175.22 174.12 2rka n GLY 232 N 3.48 3.31 3.52 13.12 0.00 0.96 -1.14 105.19 128.43 2rka n GLY 232 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.39 4.38 -0.03 1.61 0.15 -1.26 0.31 113.70 118.47 2rka s SER 233 Ca 0.00 -0.12 0.20 0.00 0.70 0.00 0.00 55.95 56.73 2rka s SER 233 Cb 0.00 -1.16 0.61 0.00 -1.71 0.00 0.00 66.02 63.76 2rka s SER 233 CO 0.00 0.32 1.51 0.61 1.20 0.00 0.00 173.24 176.88 2rka n GLY 234 N 2.50 2.63 3.77 9.45 0.00 -1.26 -4.43 105.19 117.85 2rka n GLY 234 Ca -0.18 -0.75 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.21 3.49 0.00 1.61 6.14 -1.26 -4.77 117.35 121.35 2rka s TYR 235 Ca 0.45 0.50 0.00 0.00 0.64 0.00 0.00 57.07 58.66 2rka s TYR 235 Cb 0.25 -2.17 0.00 0.00 0.42 0.00 0.00 41.96 40.46 2rka s TYR 235 CO 0.28 0.40 0.00 0.41 0.64 0.00 0.00 175.55 177.29 2rka n GLY 236 N 3.01 0.31 0.33 8.97 0.00 -1.26 -0.64 105.19 115.91 2rka n GLY 236 Ca -0.16 0.11 0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 1.91 -0.02 0.00 -1.93 0.33 103.07 103.36 2rka h GLY 237 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 2rka h GLY 237 CO 0.00 0.00 -0.68 3.43 0.00 0.00 0.00 176.54 179.29 2rka h ASN 238 N 0.00 0.00 0.00 0.19 2.35 -1.22 -3.42 115.58 113.48 2rka h ASN 238 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2rka h ASN 238 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 2rka h ASN 238 CO 0.00 0.61 -1.03 -1.54 -1.65 0.00 0.00 177.43 173.82 2rka n SER 239 N -3.22 4.69 -4.45 5.81 3.41 -0.56 -4.82 113.62 114.47 2rka n SER 239 Ca 0.01 -0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 2rka n SER 239 Cb 0.79 0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 65.12 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 -4.25 5.10 0.43 1.04 1.43 0.11 -4.88 118.68 117.67 2rka s LEU 240 Ca -0.00 -2.24 0.29 0.00 -1.03 0.00 0.00 54.13 51.14 2rka s LEU 240 Cb 0.00 -2.39 1.01 0.00 0.03 0.00 0.00 46.19 44.83 2rka s LEU 240 CO 0.02 -0.99 1.83 -0.07 0.23 0.00 0.00 176.35 177.36 2rka h LEU 241 N 10.20 0.00 -1.40 1.79 3.38 -1.87 -2.64 115.31 124.77 2rka h LEU 241 Ca 0.19 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2rka h LEU 241 Cb 1.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 2rka h LEU 241 CO 1.12 0.00 -0.03 1.23 0.09 0.00 0.00 178.44 180.85 2rka h GLY 242 N 2.78 0.39 0.00 0.83 0.00 -1.96 -1.60 103.07 103.51 2rka h GLY 242 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 2rka h GLY 242 CO 0.00 0.20 0.00 1.17 0.00 0.00 0.00 176.54 177.91 2rka n LYS 243 N -4.31 0.00 -0.08 4.80 4.81 -1.00 -1.14 118.16 121.24 2rka n LYS 243 Ca 0.00 0.31 -0.23 0.00 -0.87 0.00 0.00 58.31 57.52 2rka n LYS 243 Cb 0.23 -1.04 -0.12 0.00 0.02 0.00 0.00 35.03 34.12 2rka n LYS 243 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2rka n LYS 244 N -1.42 0.65 -0.05 1.64 4.76 -1.26 -3.26 118.16 119.22 2rka n LYS 244 Ca 0.00 0.35 -0.10 0.00 -2.87 0.00 0.00 58.31 55.69 2rka n LYS 244 Cb 0.00 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.50 2rka n LYS 244 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rka h PHE 246 N 0.21 0.00 0.00 0.00 3.04 -1.41 -0.31 116.94 118.48 2rka h PHE 246 Ca 0.07 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2rka h PHE 246 Cb 0.08 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.59 2rka h PHE 246 CO -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.26 2rka h ALA 247 N -1.45 1.00 0.00 2.41 0.00 -1.11 0.10 119.26 120.22 2rka h ALA 247 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2rka h ALA 247 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2rka h ALA 247 CO 0.00 0.00 -1.18 1.28 0.00 0.00 0.00 179.25 179.35 2rka n LEU 248 N -2.52 0.80 0.06 0.00 4.77 -0.88 -4.63 117.00 114.60 2rka n LEU 248 Ca 0.02 0.13 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 2rka n LEU 248 Cb 0.26 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 2rka n LEU 248 CO 0.22 -0.02 0.11 0.03 -1.33 0.00 0.00 177.39 176.40 2rka h ARG 249 N -0.31 -0.25 -0.06 3.23 3.08 -1.21 -1.03 114.38 117.83 2rka h ARG 249 Ca -0.16 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2rka h ARG 249 Cb 0.96 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2rka h ARG 249 CO -0.10 -0.17 0.03 0.82 -1.07 0.00 0.00 179.97 179.49 2rka h ILE 250 N -1.01 1.00 -0.89 2.04 1.08 -1.05 -3.15 117.51 115.53 2rka h ILE 250 Ca -0.03 -0.02 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 2rka h ILE 250 Cb 0.20 0.93 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 2rka h ILE 250 CO 0.04 0.01 0.59 0.00 -0.69 0.00 0.00 178.15 178.11 2rka h ALA 251 N 1.03 1.36 -0.60 1.87 0.00 -0.90 -1.63 119.26 120.39 2rka h ALA 251 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2rka h ALA 251 Cb 0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2rka h ALA 251 CO -0.02 0.59 0.23 0.66 0.00 0.00 0.00 179.25 180.71 2rka h SER 252 N 1.21 0.80 -0.21 0.00 4.64 -1.14 0.39 113.55 119.24 2rka h SER 252 Ca 0.33 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.48 2rka h SER 252 Cb -0.14 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.74 2rka h SER 252 CO -0.07 0.73 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.44 2rka h ARG 253 N 0.86 0.43 -0.77 4.77 1.12 -1.41 -1.28 114.38 118.10 2rka h ARG 253 Ca 0.20 -0.18 0.08 0.00 -1.11 0.00 0.00 59.98 58.97 2rka h ARG 253 Cb 0.18 -0.01 -0.07 0.00 -0.01 0.00 0.00 29.97 30.06 2rka h ARG 253 CO -0.02 0.71 0.43 -0.07 -3.11 0.00 0.00 179.97 177.91 2rka h LEU 254 N 0.14 0.62 -0.59 3.80 3.38 -0.85 -1.76 115.31 120.05 2rka h LEU 254 Ca 0.05 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2rka h LEU 254 Cb 0.57 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2rka h LEU 254 CO 0.03 0.37 0.38 0.00 0.09 0.00 0.00 178.44 179.31 2rka h ALA 255 N 1.42 0.76 -0.36 1.53 0.00 -0.10 -0.79 119.26 121.71 2rka h ALA 255 Ca 0.36 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2rka h ALA 255 Cb 0.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2rka h ALA 255 CO -0.23 0.16 0.18 -0.22 0.00 0.00 0.00 179.25 179.14 2rka h LYS 256 N 0.77 0.36 -0.22 0.00 1.63 -0.80 0.51 116.57 118.82 2rka h LYS 256 Ca 0.22 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.96 2rka h LYS 256 Cb -0.06 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.48 2rka h LYS 256 CO -0.06 0.24 -0.05 0.93 -3.45 0.00 0.00 179.45 177.06 2rka h GLU 257 N 0.37 0.34 -0.00 1.90 5.08 -0.81 -3.34 114.58 118.13 2rka h GLU 257 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2rka h GLU 257 Cb 0.06 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2rka h GLU 257 CO -0.10 0.41 -0.27 0.39 -1.00 0.00 0.00 179.01 178.44 2rka n GLU 258 N -4.31 4.23 0.00 2.33 1.02 -0.35 -5.02 120.64 118.55 2rka n GLU 258 Ca 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2rka n GLU 258 Cb 0.23 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 1.06 1.20 0.04 0.62 0.00 0.02 -5.04 105.19 103.08 2rka n GLY 259 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.80 0.00 -4.28 1.61 4.27 -0.30 -4.72 117.44 112.22 2rka n TRP 260 Ca 0.00 -0.03 -0.21 0.00 -3.89 0.00 0.00 57.50 53.37 2rka n TRP 260 Cb 0.00 0.00 -0.16 0.00 -1.36 0.00 0.00 31.31 29.79 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 1.43 -0.28 5.67 1.43 0.66 -4.16 118.68 123.42 2rka s LEU 261 Ca 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2rka s LEU 261 Cb 0.00 -0.54 0.05 0.00 0.03 0.00 0.00 46.19 45.74 2rka s LEU 261 CO 0.00 -0.03 -0.05 0.00 0.23 0.00 0.00 176.35 176.51 2rka s ALA 262 N 0.82 2.71 0.10 4.21 0.00 -1.26 -0.05 121.76 128.28 2rka s ALA 262 Ca -0.12 -1.76 0.06 0.00 0.00 0.00 0.00 51.96 50.13 2rka s ALA 262 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 2rka s ALA 262 CO 0.01 -1.24 -0.15 -1.21 0.00 0.00 0.00 175.76 173.17 2rka s GLU 263 N 1.19 0.97 -1.40 0.00 0.41 0.10 -4.61 118.70 115.36 2rka s GLU 263 Ca -0.07 -1.12 -0.12 0.00 -0.41 0.00 0.00 54.97 53.25 2rka s GLU 263 Cb -0.20 -0.96 0.08 0.00 -1.78 0.00 0.00 34.13 31.27 2rka s GLU 263 CO -0.03 0.20 2.14 1.58 -0.49 0.00 0.00 175.26 178.67 2rka n HIS 264 N 0.91 3.24 -4.29 1.61 -0.00 -1.26 -0.73 115.22 114.70 2rka n HIS 264 Ca -0.18 -2.91 -0.19 0.00 0.46 0.00 0.00 57.72 54.90 2rka n HIS 264 Cb 0.55 -2.32 -0.15 0.00 -0.12 0.00 0.00 29.99 27.95 2rka n HIS 264 CO 0.00 0.00 0.00 -1.64 0.46 0.00 0.00 176.34 175.16 2rka s MET 265 N 2.03 0.78 0.82 1.57 -1.94 -0.27 -4.29 119.30 117.99 2rka s MET 265 Ca 0.46 -0.23 -0.11 0.00 -1.71 0.00 0.00 55.69 54.09 2rka s MET 265 Cb 0.13 -0.75 0.08 0.00 2.01 0.00 0.00 34.83 36.30 2rka s MET 265 CO -0.06 0.08 1.10 -0.48 -0.01 0.00 0.00 175.02 175.66 2rka s LEU 266 N 0.23 2.86 -0.07 -0.03 0.05 -0.31 -2.21 118.68 119.20 2rka s LEU 266 Ca -0.03 1.83 -0.00 0.00 0.05 0.00 0.00 54.13 55.98 2rka s LEU 266 Cb -0.08 -4.43 0.02 0.00 -2.05 0.00 0.00 46.19 39.66 2rka s LEU 266 CO 0.00 -2.32 -0.03 -0.63 -0.55 0.00 0.00 176.35 172.82 2rka s ILE 267 N -2.86 0.56 0.12 1.48 1.01 -0.38 -1.79 121.20 119.33 2rka s ILE 267 Ca 0.62 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 61.29 2rka s ILE 267 Cb -0.18 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2rka s ILE 267 CO 0.57 0.27 -0.15 -1.48 0.00 0.00 0.00 174.94 174.14 2rka s LEU 268 N 1.50 2.39 -0.14 2.97 0.05 0.05 -1.01 118.68 124.49 2rka s LEU 268 Ca -0.02 -0.80 -0.03 0.00 0.05 0.00 0.00 54.13 53.34 2rka s LEU 268 Cb -0.13 -0.62 -0.03 0.00 -2.05 0.00 0.00 46.19 43.37 2rka s LEU 268 CO -0.03 -0.11 -0.04 -0.83 -0.55 0.00 0.00 176.35 174.78 2rka s GLY 269 N -2.40 1.71 -0.08 -3.48 0.00 0.28 -0.43 107.32 102.92 2rka s GLY 269 Ca 0.09 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 44.02 2rka s GLY 269 CO 0.04 -0.14 -0.21 -1.50 0.00 0.00 0.00 173.10 171.28 2rka s ILE 270 N 0.22 1.81 -0.12 0.90 2.07 0.54 -0.31 121.20 126.31 2rka s ILE 270 Ca -0.03 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.33 2rka s ILE 270 Cb -0.14 -1.57 -0.02 0.00 0.13 0.00 0.00 42.46 40.87 2rka s ILE 270 CO 0.03 0.50 -0.13 -0.89 -1.91 0.00 0.00 174.94 172.55 2rka s THR 271 N 0.32 3.10 0.64 4.00 2.01 0.02 -1.14 115.64 124.59 2rka s THR 271 Ca -0.15 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.19 2rka s THR 271 Cb -0.16 -2.29 0.08 0.00 0.01 0.00 0.00 72.50 70.13 2rka s THR 271 CO 0.07 0.53 0.90 0.54 -0.69 0.00 0.00 174.62 175.97 2rka s ASN 272 N 0.17 4.80 0.00 3.53 4.22 -0.14 -1.54 114.94 125.98 2rka s ASN 272 Ca -0.07 -0.12 0.10 0.00 -2.14 0.00 0.00 52.86 50.63 2rka s ASN 272 Cb -0.15 -0.51 0.51 0.00 1.28 0.00 0.00 41.25 42.38 2rka s ASN 272 CO 0.05 -1.52 1.24 -2.65 -2.04 0.00 0.00 177.10 172.18 2rka n PRO 273 N -2.63 0.12 -0.56 3.55 -0.02 -1.08 -2.16 135.00 132.22 2rka n PRO 273 Ca 0.11 0.21 0.10 0.00 -2.02 0.00 0.00 63.50 61.90 2rka n PRO 273 Cb 0.60 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.93 2rka n PRO 273 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2rka n GLU 274 N -1.32 3.49 -1.60 -0.52 -0.58 -1.26 -4.95 120.64 113.90 2rka n GLU 274 Ca 0.04 -2.76 -0.11 0.00 -0.42 0.00 0.00 57.16 53.91 2rka n GLU 274 Cb 0.09 -1.83 -0.04 0.00 -0.57 0.00 0.00 31.44 29.10 2rka n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rka n GLY 275 N 1.23 0.86 3.82 0.62 0.00 -0.92 -5.02 105.19 105.77 2rka n GLY 275 Ca 0.25 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 2rka n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rka s LYS 276 N -3.45 3.64 -0.04 1.61 3.01 -1.26 -4.91 119.74 118.33 2rka s LYS 276 Ca 0.00 -0.18 0.06 0.00 -1.01 0.00 0.00 55.97 54.84 2rka s LYS 276 Cb 0.00 -3.23 -0.02 0.00 -1.01 0.00 0.00 37.83 33.57 2rka s LYS 276 CO 0.00 0.62 -0.22 0.21 0.51 0.00 0.00 175.35 176.48 2rka s LYS 277 N -0.58 2.39 0.01 1.68 2.20 -1.26 -0.97 119.74 123.22 2rka s LYS 277 Ca 0.12 -0.84 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 2rka s LYS 277 Cb -0.12 -2.20 -0.01 0.00 -1.51 0.00 0.00 37.83 33.99 2rka s LYS 277 CO 0.02 0.52 -0.06 0.15 -0.36 0.00 0.00 175.35 175.62 2rka s LYS 278 N -0.49 0.46 -0.10 4.03 1.02 -0.30 -4.98 119.74 119.38 2rka s LYS 278 Ca 0.06 -0.40 -0.10 0.00 0.02 0.00 0.00 55.97 55.55 2rka s LYS 278 Cb -0.11 -0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 36.79 2rka s LYS 278 CO 0.01 0.09 0.23 0.71 -0.92 0.00 0.00 175.35 175.47 2rka s TYR 279 N -0.60 3.60 0.06 3.18 1.51 -1.25 -0.34 117.35 123.51 2rka s TYR 279 Ca -0.03 0.65 0.07 0.00 -1.01 0.00 0.00 57.07 56.75 2rka s TYR 279 Cb -0.05 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.67 2rka s TYR 279 CO 0.00 0.61 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.35 2rka s LEU 280 N -0.72 2.21 0.15 -1.29 1.43 0.43 -1.37 118.68 119.52 2rka s LEU 280 Ca 0.17 -0.55 0.09 0.00 -1.03 0.00 0.00 54.13 52.80 2rka s LEU 280 Cb -0.13 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 2rka s LEU 280 CO 0.06 0.08 -0.12 0.00 0.23 0.00 0.00 176.35 176.60 2rka s ALA 281 N -0.94 2.89 -0.11 4.21 0.00 -0.41 -0.77 121.76 126.62 2rka s ALA 281 Ca 0.05 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.55 2rka s ALA 281 Cb -0.09 -0.75 0.05 0.00 0.00 0.00 0.00 23.12 22.33 2rka s ALA 281 CO 0.02 0.53 0.26 0.00 0.00 0.00 0.00 175.76 176.57 2rka s ALA 282 N -1.49 -0.61 -0.35 0.00 0.00 -0.74 -0.76 121.76 117.81 2rka s ALA 282 Ca 0.23 1.04 -0.07 0.00 0.00 0.00 0.00 51.96 53.15 2rka s ALA 282 Cb -0.10 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.42 2rka s ALA 282 CO 0.14 -0.20 0.13 0.00 0.00 0.00 0.00 175.76 175.83 2rka s ALA 283 N 1.22 3.09 0.07 0.00 0.00 0.26 -1.17 121.76 125.24 2rka s ALA 283 Ca -0.09 -1.81 0.09 0.00 0.00 0.00 0.00 51.96 50.15 2rka s ALA 283 Cb -0.10 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.66 2rka s ALA 283 CO -0.09 -1.39 -0.25 -0.06 0.00 0.00 0.00 175.76 173.98 2rka s PHE 284 N 1.40 2.16 0.74 0.00 0.08 -1.26 -3.08 117.98 118.02 2rka s PHE 284 Ca -0.01 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.52 2rka s PHE 284 Cb -0.20 -1.25 0.18 0.00 -0.57 0.00 0.00 43.02 41.18 2rka s PHE 284 CO 0.03 0.18 0.61 -2.30 -0.10 0.00 0.00 175.22 173.63 2rka n PRO 285 N 1.52 -2.52 -1.78 0.24 -0.02 -1.26 -4.84 135.00 126.35 2rka n PRO 285 Ca -0.17 -0.98 -0.39 0.00 -2.02 0.00 0.00 63.50 59.94 2rka n PRO 285 Cb 0.53 -0.97 0.04 0.00 -0.02 0.00 0.00 33.50 33.07 2rka n PRO 285 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2rka s SER 286 N -3.10 5.32 -1.47 2.55 0.01 -1.26 -3.58 113.70 112.17 2rka s SER 286 Ca 0.41 2.79 -0.07 0.00 1.31 0.00 0.00 55.95 60.38 2rka s SER 286 Cb -0.05 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.60 2rka s SER 286 CO 0.32 -1.54 0.73 0.00 0.41 0.00 0.00 173.24 173.16 2rka n ALA 287 N -0.95 -1.67 -0.65 1.44 0.00 -1.26 -4.87 120.51 112.55 2rka n ALA 287 Ca 0.10 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.53 2rka n ALA 287 Cb 0.45 -2.87 0.06 0.00 0.00 0.00 0.00 19.45 17.09 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 -0.87 0.82 0.31 0.00 0.00 -1.26 -4.99 105.19 99.20 2rka n GLY 289 Ca 0.07 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 -0.71 -0.58 1.61 3.64 -1.94 -1.17 116.57 117.42 2rka h LYS 290 Ca 0.00 0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2rka h LYS 290 Cb 0.86 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2rka h LYS 290 CO 0.00 -0.41 0.31 1.15 -2.27 0.00 0.00 179.45 178.22 2rka h THR 291 N -1.09 1.18 -0.72 1.00 2.02 -1.96 -1.94 112.91 111.40 2rka h THR 291 Ca -0.08 -0.47 0.09 0.00 0.77 0.00 0.00 66.41 66.73 2rka h THR 291 Cb 0.62 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 2rka h THR 291 CO 0.12 0.20 0.37 0.78 0.37 0.00 0.00 175.52 177.37 2rka h ASN 292 N 0.81 0.50 -0.03 4.18 2.35 -1.86 -2.03 115.58 119.50 2rka h ASN 292 Ca 0.21 0.06 -0.21 0.00 -0.55 0.00 0.00 56.30 55.80 2rka h ASN 292 Cb 0.04 -0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.38 2rka h ASN 292 CO -0.03 0.29 -0.78 0.25 -1.65 0.00 0.00 177.43 175.51 2rka h LEU 293 N 0.63 0.81 -1.14 1.61 5.85 -0.80 -2.37 115.31 119.90 2rka h LEU 293 Ca 0.35 -0.54 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2rka h LEU 293 Cb 0.34 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2rka h LEU 293 CO -0.25 1.32 -0.27 0.00 -0.34 0.00 0.00 178.44 178.90 2rka h ALA 294 N 0.66 1.28 -0.58 1.25 0.00 -1.06 -3.03 119.26 117.78 2rka h ALA 294 Ca -0.05 -0.32 -0.42 0.00 0.00 0.00 0.00 54.91 54.12 2rka h ALA 294 Cb 1.39 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 18.74 2rka h ALA 294 CO 0.15 0.49 -0.79 0.00 0.00 0.00 0.00 179.25 179.10 2rka n MET 295 N -4.14 3.06 -1.99 0.00 0.00 -0.79 -3.89 117.12 109.38 2rka n MET 295 Ca -0.01 -3.93 -0.41 0.00 0.00 0.00 0.00 57.70 53.35 2rka n MET 295 Cb 0.38 -2.08 -0.01 0.00 0.00 0.00 0.00 33.22 31.51 2rka n MET 295 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 2rka s MET 296 N -3.49 4.24 -0.34 3.17 0.00 -0.89 -4.59 119.30 117.39 2rka s MET 296 Ca 0.47 2.35 -0.13 0.00 0.00 0.00 0.00 55.69 58.38 2rka s MET 296 Cb 0.40 -3.01 -0.01 0.00 0.00 0.00 0.00 34.83 32.20 2rka s MET 296 CO 0.01 -0.34 0.24 0.54 0.00 0.00 0.00 175.02 175.47 2rka s ASN 297 N -0.37 6.01 0.59 1.11 4.22 -1.26 -4.48 114.94 120.77 2rka s ASN 297 Ca 0.51 -0.48 -0.19 0.00 -2.14 0.00 0.00 52.86 50.56 2rka s ASN 297 Cb -0.42 -2.13 -0.03 0.00 1.28 0.00 0.00 41.25 39.95 2rka s ASN 297 CO 0.57 -0.25 1.22 -2.84 -2.04 0.00 0.00 177.10 173.76 2rka s PRO 298 N 1.71 2.95 0.25 3.55 0.02 -1.26 -4.40 135.00 137.81 2rka s PRO 298 Ca 0.06 1.87 0.22 0.00 0.02 0.00 0.00 61.00 63.16 2rka s PRO 298 Cb -0.18 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 32.47 2rka s PRO 298 CO 0.10 -1.23 1.16 1.79 -0.33 0.00 0.00 177.00 178.49 2rka h THR 299 N 0.89 0.07 -3.00 0.99 1.35 -1.87 -3.46 112.91 107.88 2rka h THR 299 Ca -0.51 -1.12 -0.57 0.00 -0.55 0.00 0.00 66.41 63.66 2rka h THR 299 Cb 1.30 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 69.36 2rka h THR 299 CO 0.55 0.04 0.84 -0.76 -0.25 0.00 0.00 175.52 175.94 2rka s LEU 300 N -5.62 4.15 0.31 3.87 1.43 -1.26 -4.99 118.68 116.56 2rka s LEU 300 Ca 0.01 1.55 -0.29 0.00 -1.03 0.00 0.00 54.13 54.37 2rka s LEU 300 Cb 0.08 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.64 2rka s LEU 300 CO 0.76 -0.71 1.33 -0.81 0.23 0.00 0.00 176.35 177.15 2rka n PRO 301 N 6.40 2.09 -0.40 1.29 -0.04 -1.26 -2.52 135.00 140.56 2rka n PRO 301 Ca 0.13 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.33 2rka n PRO 301 Cb 0.45 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2rka n PRO 301 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rka n GLY 302 N 1.25 1.43 3.87 0.55 0.00 -1.26 -4.84 105.19 106.19 2rka n GLY 302 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.12 3.53 0.00 1.61 0.52 -1.05 -2.65 118.94 117.78 2rka s TRP 303 Ca 0.00 0.40 0.02 0.00 0.02 0.00 0.00 56.10 56.55 2rka s TRP 303 Cb 0.00 -1.86 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 2rka s TRP 303 CO 0.00 0.67 -0.08 0.21 0.02 0.00 0.00 176.95 177.77 2rka s LYS 304 N -1.53 0.61 -0.09 4.98 2.20 -0.59 -4.71 119.74 120.61 2rka s LYS 304 Ca 0.22 -0.33 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2rka s LYS 304 Cb -0.12 -0.58 -0.01 0.00 -1.51 0.00 0.00 37.83 35.61 2rka s LYS 304 CO 0.12 0.15 -0.22 0.08 -0.36 0.00 0.00 175.35 175.12 2rka s VAL 305 N -0.31 2.26 0.04 4.02 1.01 -1.26 -0.80 120.40 125.36 2rka s VAL 305 Ca 0.02 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.09 2rka s VAL 305 Cb -0.04 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2rka s VAL 305 CO -0.00 0.56 -0.16 -1.61 0.00 0.00 0.00 175.10 173.89 2rka s GLU 306 N 0.12 1.06 -0.26 2.72 2.02 0.58 -4.85 118.70 120.09 2rka s GLU 306 Ca -0.11 -0.80 -0.13 0.00 0.02 0.00 0.00 54.97 53.95 2rka s GLU 306 Cb -0.16 -1.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.92 2rka s GLU 306 CO 0.06 0.28 0.28 0.00 0.02 0.00 0.00 175.26 175.90 2rka h VAL 308 N 5.27 0.90 -3.10 0.00 2.07 -1.37 0.13 116.25 120.15 2rka h VAL 308 Ca -0.34 -2.22 -0.02 0.00 0.82 0.00 0.00 66.70 64.94 2rka h VAL 308 Cb 1.17 2.31 -0.12 0.00 -1.52 0.00 0.00 31.29 33.14 2rka h VAL 308 CO 0.62 0.43 0.15 -0.83 0.02 0.00 0.00 177.57 177.95 2rka s GLY 309 N -4.96 -0.48 0.00 2.17 0.00 -0.85 -4.75 107.32 98.45 2rka s GLY 309 Ca -0.27 0.28 0.02 0.00 0.00 0.00 0.00 44.72 44.74 2rka s GLY 309 CO 0.63 0.02 0.96 2.09 0.00 0.00 0.00 173.10 176.80 2rka n ASP 310 N -0.35 1.99 0.04 1.64 5.75 -1.26 -1.25 116.55 123.10 2rka n ASP 310 Ca -0.15 -1.82 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 2rka n ASP 310 Cb 0.64 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.69 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 -0.22 -0.15 -4.04 -1.12 2.03 -1.26 -4.50 116.55 107.29 2rka n ASP 311 Ca 0.02 0.13 -0.20 0.00 0.52 0.00 0.00 54.79 55.26 2rka n ASP 311 Cb 0.24 0.23 -0.15 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.84 -0.04 5.18 1.01 -0.94 -1.12 121.20 124.13 2rka s ILE 312 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.26 2rka s ILE 312 Cb 0.00 -0.72 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 2rka s ILE 312 CO 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 174.94 175.04 2rka s ALA 313 N -0.09 1.37 -0.22 9.38 0.00 0.09 -4.25 121.76 128.03 2rka s ALA 313 Ca 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.34 2rka s ALA 313 Cb -0.06 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2rka s ALA 313 CO -0.00 0.23 -0.04 -1.58 0.00 0.00 0.00 175.76 174.37 2rka s TRP 314 N 0.12 2.96 -0.02 0.00 0.52 -0.72 0.03 118.94 121.83 2rka s TRP 314 Ca -0.05 -0.92 0.04 0.00 0.02 0.00 0.00 56.10 55.20 2rka s TRP 314 Cb -0.11 -2.11 -0.01 0.00 -1.15 0.00 0.00 33.47 30.10 2rka s TRP 314 CO 0.02 -0.54 -0.13 -1.64 0.02 0.00 0.00 176.95 174.68 2rka s MET 315 N 1.46 1.14 -0.12 4.98 -1.94 0.92 -1.33 119.30 124.41 2rka s MET 315 Ca 0.06 -0.46 -0.08 0.00 -1.71 0.00 0.00 55.69 53.50 2rka s MET 315 Cb -0.14 -1.07 0.04 0.00 2.01 0.00 0.00 34.83 35.66 2rka s MET 315 CO -0.03 0.25 0.29 0.21 -0.01 0.00 0.00 175.02 175.73 2rka s LYS 316 N -0.18 0.29 0.17 2.03 2.20 -0.34 -0.25 119.74 123.67 2rka s LYS 316 Ca 0.03 0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 55.84 2rka s LYS 316 Cb -0.06 0.02 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 2rka s LYS 316 CO -0.00 -0.11 1.34 -0.06 -0.36 0.00 0.00 175.35 176.16 2rka s PHE 317 N 0.77 3.25 0.63 4.03 0.08 -1.26 -1.29 117.98 124.19 2rka s PHE 317 Ca -0.05 1.13 -0.02 0.00 0.12 0.00 0.00 56.93 58.11 2rka s PHE 317 Cb -0.06 -3.63 0.13 0.00 -0.57 0.00 0.00 43.02 38.89 2rka s PHE 317 CO -0.05 -2.05 0.86 -0.40 -0.10 0.00 0.00 175.22 173.48 2rka n ASP 318 N 3.06 0.98 0.27 1.36 5.68 -0.18 -4.90 116.55 122.82 2rka n ASP 318 Ca 0.08 -1.87 0.17 0.00 -0.50 0.00 0.00 54.79 52.67 2rka n ASP 318 Cb 0.43 -0.58 0.92 0.00 -1.14 0.00 0.00 41.12 40.75 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 -0.75 1.56 0.00 2.12 0.00 -1.96 -0.58 119.26 119.65 2rka h ALA 319 Ca -0.28 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2rka h ALA 319 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2rka h ALA 319 CO 0.29 -0.13 -0.44 1.04 0.00 0.00 0.00 179.25 180.00 2rka n GLN 320 N -3.68 0.03 -0.33 0.00 1.13 -1.26 -4.95 117.38 108.32 2rka n GLN 320 Ca -0.01 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2rka n GLN 320 Cb 0.19 -1.52 0.00 0.00 0.11 0.00 0.00 30.24 29.02 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 1.48 0.75 3.73 1.08 0.00 -0.22 -4.81 105.19 107.20 2rka n GLY 321 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.49 7.54 -0.68 1.61 0.01 -1.26 0.41 114.94 120.08 2rka s ASN 322 Ca 0.00 1.84 -0.26 0.00 -0.71 0.00 0.00 52.86 53.73 2rka s ASN 322 Cb 0.00 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 39.11 2rka s ASN 322 CO 0.00 -0.01 1.16 -0.22 -1.51 0.00 0.00 177.10 176.52 2rka s LEU 323 N -0.32 3.58 -0.16 0.60 2.96 -1.26 -1.01 118.68 123.08 2rka s LEU 323 Ca 0.45 -0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 53.76 2rka s LEU 323 Cb -0.24 -2.64 -0.05 0.00 0.50 0.00 0.00 46.19 43.76 2rka s LEU 323 CO 0.30 -1.64 0.22 -0.13 -1.32 0.00 0.00 176.35 173.79 2rka s ARG 324 N 5.06 4.10 0.03 1.98 0.52 -0.41 -0.19 118.95 130.03 2rka s ARG 324 Ca 0.33 -0.03 0.08 0.00 -0.52 0.00 0.00 55.73 55.59 2rka s ARG 324 Cb -0.10 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 31.96 2rka s ARG 324 CO 0.16 0.37 -0.25 0.00 0.02 0.00 0.00 175.30 175.60 2rka s ALA 325 N 0.12 2.08 0.12 2.13 0.00 0.43 -1.20 121.76 125.43 2rka s ALA 325 Ca 0.14 -1.16 0.09 0.00 0.00 0.00 0.00 51.96 51.03 2rka s ALA 325 Cb -0.12 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2rka s ALA 325 CO 0.02 0.49 -0.22 0.96 0.00 0.00 0.00 175.76 177.01 2rka s ILE 326 N -0.73 1.88 -0.35 0.00 -4.36 -0.44 -0.35 121.20 116.85 2rka s ILE 326 Ca 0.10 -1.65 -0.24 0.00 -0.26 0.00 0.00 60.65 58.60 2rka s ILE 326 Cb -0.10 -1.72 0.01 0.00 1.25 0.00 0.00 42.46 41.91 2rka s ILE 326 CO 0.01 -0.05 0.82 0.21 0.24 0.00 0.00 174.94 176.17 2rka s ASN 327 N -2.04 6.62 0.00 4.36 2.47 -1.26 -1.76 114.94 123.33 2rka s ASN 327 Ca 0.10 0.51 0.24 0.00 0.42 0.00 0.00 52.86 54.13 2rka s ASN 327 Cb -0.10 -2.42 1.26 0.00 -1.45 0.00 0.00 41.25 38.55 2rka s ASN 327 CO 0.05 -0.73 1.81 -0.81 -3.72 0.00 0.00 177.10 173.70 2rka n PRO 328 N 6.44 0.42 -3.24 0.43 -0.04 -1.26 -4.41 135.00 133.34 2rka n PRO 328 Ca 0.04 0.05 -0.18 0.00 -0.04 0.00 0.00 63.50 63.37 2rka n PRO 328 Cb 0.48 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.44 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 -2.48 2.91 0.00 0.54 2.02 -1.26 -0.69 118.70 119.74 2rka s GLU 329 Ca 0.25 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.07 2rka s GLU 329 Cb 0.16 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2rka s GLU 329 CO 0.35 -0.13 0.50 -1.71 0.02 0.00 0.00 175.26 174.30 2rka n ASN 330 N -1.74 0.99 -2.52 -0.19 5.15 -0.36 -4.79 115.26 111.80 2rka n ASN 330 Ca 0.04 -1.10 -0.08 0.00 -0.60 0.00 0.00 54.58 52.84 2rka n ASN 330 Cb 0.59 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.86 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 -0.05 1.27 3.34 8.20 0.00 -1.10 -2.00 105.19 114.86 2rka n GLY 331 Ca 0.00 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.24 2.78 -0.80 1.61 0.08 0.21 -4.77 117.98 113.86 2rka s PHE 332 Ca 0.15 -0.72 0.02 0.00 0.12 0.00 0.00 56.93 56.49 2rka s PHE 332 Cb -0.04 -1.83 0.19 0.00 -0.57 0.00 0.00 43.02 40.77 2rka s PHE 332 CO 0.11 -0.26 0.63 0.12 -0.10 0.00 0.00 175.22 175.72 2rka s PHE 333 N 0.38 3.73 0.02 0.36 5.36 -1.26 -1.58 117.98 125.01 2rka s PHE 333 Ca -0.12 -3.20 -0.00 0.00 -0.96 0.00 0.00 56.93 52.66 2rka s PHE 333 Cb -0.16 -2.97 -0.04 0.00 -0.34 0.00 0.00 43.02 39.51 2rka s PHE 333 CO 0.06 -0.64 0.13 0.20 -1.46 0.00 0.00 175.22 173.50 2rka s GLY 334 N -0.82 2.08 0.07 13.12 0.00 -0.80 -4.92 107.32 116.05 2rka s GLY 334 Ca 0.26 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.80 2rka s GLY 334 CO -0.15 -0.79 1.81 0.14 0.00 0.00 0.00 173.10 174.11 2rka s VAL 335 N -1.32 2.88 -0.04 1.40 1.01 -1.26 -1.41 120.40 121.66 2rka s VAL 335 Ca 0.27 0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 2rka s VAL 335 Cb -0.12 -3.13 -0.16 0.00 0.00 0.00 0.00 36.38 32.97 2rka s VAL 335 CO 0.19 -0.01 0.95 0.00 0.00 0.00 0.00 175.10 176.23 2rka h ALA 336 N 9.19 -0.26 -2.53 5.51 0.00 -1.27 -3.44 119.26 126.46 2rka h ALA 336 Ca -0.46 -0.22 -0.56 0.00 0.00 0.00 0.00 54.91 53.68 2rka h ALA 336 Cb 1.22 0.10 0.09 0.00 0.00 0.00 0.00 17.79 19.19 2rka h ALA 336 CO 0.94 -0.36 0.72 -2.30 0.00 0.00 0.00 179.25 178.25 2rka n PRO 337 N -4.97 2.32 -0.06 0.00 -0.02 -1.26 -1.33 135.00 129.69 2rka n PRO 337 Ca -0.08 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2rka n PRO 337 Cb 0.26 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 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 2.08 0.60 3.59 -1.23 0.00 0.12 -4.99 105.19 105.35 2rka n GLY 338 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.26 4.35 0.28 2.61 2.01 -0.44 -4.82 115.64 117.38 2rka s THR 339 Ca 0.00 1.03 0.02 0.00 0.31 0.00 0.00 61.69 63.05 2rka s THR 339 Cb 0.00 -4.51 -0.05 0.00 0.01 0.00 0.00 72.50 67.95 2rka s THR 339 CO 0.00 -0.89 0.10 -0.94 -0.69 0.00 0.00 174.62 172.20 2rka s SER 340 N 2.31 1.46 0.51 3.53 1.04 -1.25 -4.27 113.70 117.03 2rka s SER 340 Ca 0.43 -1.41 0.17 0.00 0.48 0.00 0.00 55.95 55.62 2rka s SER 340 Cb -0.09 0.15 1.26 0.00 0.10 0.00 0.00 66.02 67.44 2rka s SER 340 CO 0.28 -0.73 2.12 0.58 0.98 0.00 0.00 173.24 176.47 2rka h VAL 341 N 2.31 0.99 0.05 5.02 2.07 -1.83 0.23 116.25 125.09 2rka h VAL 341 Ca -0.38 -0.15 -0.28 0.00 0.82 0.00 0.00 66.70 66.70 2rka h VAL 341 Cb 1.25 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2rka h VAL 341 CO 0.61 0.04 -1.49 0.07 0.02 0.00 0.00 177.57 176.83 2rka h LYS 342 N 0.00 0.12 0.06 1.57 2.10 -1.94 -3.03 116.57 115.43 2rka h LYS 342 Ca -0.00 -0.20 -0.29 0.00 -2.00 0.00 0.00 60.65 58.16 2rka h LYS 342 Cb 0.08 0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.46 2rka h LYS 342 CO 0.01 0.90 -1.55 1.79 -2.00 0.00 0.00 179.45 178.60 2rka h THR 343 N 0.03 1.09 -0.21 0.07 1.35 -1.85 -3.44 112.91 109.95 2rka h THR 343 Ca -0.21 -2.82 -0.25 0.00 -0.55 0.00 0.00 66.41 62.58 2rka h THR 343 Cb 1.96 2.63 -0.16 0.00 -1.73 0.00 0.00 68.15 70.85 2rka h THR 343 CO 0.13 0.74 -0.54 -3.20 -0.25 0.00 0.00 175.52 172.39 2rka n ASN 344 N -3.30 -2.67 -0.11 5.36 2.85 0.06 -4.83 115.26 112.62 2rka n ASN 344 Ca -0.15 -3.24 0.03 0.00 -0.11 0.00 0.00 54.58 51.11 2rka n ASN 344 Cb 1.03 1.62 0.35 0.00 1.24 0.00 0.00 39.78 44.02 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 4.04 0.74 -0.33 1.20 0.13 -1.55 -2.30 132.00 133.94 2rka h PRO 345 Ca -0.12 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.88 2rka h PRO 345 Cb 1.02 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.97 2rka h PRO 345 CO 0.33 0.49 -0.13 -0.91 -0.23 0.00 0.00 178.00 177.54 2rka h ASN 346 N 0.76 0.57 -0.52 1.44 2.35 -1.89 -2.23 115.58 116.06 2rka h ASN 346 Ca 0.22 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2rka h ASN 346 Cb -0.04 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2rka h ASN 346 CO -0.05 0.74 0.11 0.00 -1.65 0.00 0.00 177.43 176.57 2rka h ALA 347 N 1.32 0.69 -0.41 -0.83 0.00 -1.75 -1.86 119.26 116.42 2rka h ALA 347 Ca 0.09 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2rka h ALA 347 Cb 0.55 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 2rka h ALA 347 CO 0.03 0.40 0.17 0.82 0.00 0.00 0.00 179.25 180.67 2rka h ILE 348 N 0.73 0.91 -0.80 0.00 1.08 -1.16 -1.60 117.51 116.67 2rka h ILE 348 Ca 0.16 -0.12 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 2rka h ILE 348 Cb 0.36 0.53 -0.04 0.00 -3.07 0.00 0.00 36.82 34.61 2rka h ILE 348 CO 0.00 0.06 0.37 0.50 -0.69 0.00 0.00 178.15 178.40 2rka h LYS 349 N 0.34 1.17 -0.77 2.37 1.63 -1.31 -3.06 116.57 116.95 2rka h LYS 349 Ca 0.19 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.80 2rka h LYS 349 Cb 0.14 -0.21 -0.04 0.00 -0.60 0.00 0.00 32.23 31.53 2rka h LYS 349 CO -0.17 0.91 0.45 1.15 -3.45 0.00 0.00 179.45 178.34 2rka h THR 350 N 1.14 1.22 -0.40 1.00 2.02 -0.63 -3.27 112.91 114.00 2rka h THR 350 Ca 0.27 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.95 2rka h THR 350 Cb 0.14 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.72 2rka h THR 350 CO -0.03 0.24 0.00 2.30 0.37 0.00 0.00 175.52 178.39 2rka n ILE 351 N -4.48 0.53 1.18 3.11 -5.35 -0.67 -4.06 119.36 109.62 2rka n ILE 351 Ca 0.07 -0.55 0.13 0.00 -0.27 0.00 0.00 62.75 62.14 2rka n ILE 351 Cb 0.07 0.31 0.50 0.00 -1.74 0.00 0.00 39.64 38.78 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 0.72 0.32 -3.81 6.28 6.02 -1.23 -4.72 117.38 120.95 2rka n GLN 352 Ca 0.15 -0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 56.90 2rka n GLN 352 Cb 0.36 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.04 2rka n GLN 352 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2rka s LYS 353 N -2.76 0.67 -1.46 -1.09 -2.85 -1.26 -3.47 119.74 107.53 2rka s LYS 353 Ca 0.20 -0.44 -0.09 0.00 -1.00 0.00 0.00 55.97 54.63 2rka s LYS 353 Cb 0.19 0.29 0.05 0.00 -2.06 0.00 0.00 37.83 36.30 2rka s LYS 353 CO 0.55 -0.19 0.77 0.09 0.10 0.00 0.00 175.35 176.67 2rka n ASN 354 N 0.96 -5.16 -4.20 0.03 3.02 -0.25 -4.83 115.26 104.83 2rka n ASN 354 Ca -0.20 -0.49 -0.27 0.00 -0.03 0.00 0.00 54.58 53.58 2rka n ASN 354 Cb 0.58 -4.16 -0.16 0.00 -0.61 0.00 0.00 39.78 35.43 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 -3.17 1.59 -0.20 3.41 2.01 -1.19 -4.40 115.64 113.70 2rka s THR 355 Ca 0.48 -0.84 -0.07 0.00 0.31 0.00 0.00 61.69 61.56 2rka s THR 355 Cb -0.23 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2rka s THR 355 CO 0.59 0.45 0.06 -0.63 -0.69 0.00 0.00 174.62 174.40 2rka s ILE 356 N -0.31 4.59 -0.02 1.82 1.01 -0.67 -1.81 121.20 125.81 2rka s ILE 356 Ca 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.60 2rka s ILE 356 Cb -0.09 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.25 2rka s ILE 356 CO 0.00 0.42 0.01 -0.36 0.00 0.00 0.00 174.94 175.01 2rka s PHE 357 N 0.75 3.11 -0.07 3.97 0.08 0.78 -0.03 117.98 126.56 2rka s PHE 357 Ca 0.03 0.11 0.01 0.00 0.12 0.00 0.00 56.93 57.20 2rka s PHE 357 Cb -0.13 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2rka s PHE 357 CO 0.02 0.47 -0.09 0.99 -0.10 0.00 0.00 175.22 176.51 2rka s THR 358 N -1.06 0.96 -1.66 0.64 2.01 -0.35 -0.50 115.64 115.68 2rka s THR 358 Ca 0.19 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.85 2rka s THR 358 Cb -0.12 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.47 2rka s THR 358 CO 0.09 0.33 0.00 0.59 -0.69 0.00 0.00 174.62 174.94 2rka n ASN 359 N 4.18 -4.91 -4.98 3.53 3.02 0.38 -1.31 115.26 115.17 2rka n ASN 359 Ca -0.20 0.33 -0.21 0.00 -0.03 0.00 0.00 54.58 54.48 2rka n ASN 359 Cb 0.51 -3.86 0.02 0.00 -0.61 0.00 0.00 39.78 35.84 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 -2.63 3.32 0.59 2.41 -7.23 -1.26 -1.89 120.40 113.71 2rka s VAL 360 Ca 0.00 -0.73 -0.14 0.00 -1.81 0.00 0.00 61.98 59.30 2rka s VAL 360 Cb 0.00 -3.20 -0.05 0.00 0.56 0.00 0.00 36.38 33.69 2rka s VAL 360 CO 0.00 -0.12 1.02 0.00 -0.31 0.00 0.00 175.10 175.69 2rka s ALA 361 N -2.54 2.94 -0.06 1.32 0.00 -0.44 -4.08 121.76 118.90 2rka s ALA 361 Ca 0.52 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.68 2rka s ALA 361 Cb -0.10 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2rka s ALA 361 CO 0.36 -0.64 -0.24 -2.00 0.00 0.00 0.00 175.76 173.25 2rka s GLU 362 N -4.51 2.46 0.56 0.00 2.12 0.17 -1.31 118.70 118.18 2rka s GLU 362 Ca 0.59 -0.86 -0.04 0.00 0.36 0.00 0.00 54.97 55.02 2rka s GLU 362 Cb -0.12 -2.07 0.01 0.00 0.26 0.00 0.00 34.13 32.21 2rka s GLU 362 CO 0.42 0.35 0.84 0.95 -0.54 0.00 0.00 175.26 177.27 2rka s THR 363 N -0.10 3.60 0.49 -1.70 -4.23 -0.15 -0.37 115.64 113.18 2rka s THR 363 Ca -0.05 -0.20 0.18 0.00 -1.18 0.00 0.00 61.69 60.44 2rka s THR 363 Cb -0.14 -3.40 0.32 0.00 1.34 0.00 0.00 72.50 70.63 2rka s THR 363 CO 0.04 -0.37 2.05 0.28 -0.54 0.00 0.00 174.62 176.08 2rka h SER 364 N -0.03 0.14 -0.45 3.99 0.02 -1.56 -1.09 113.55 114.57 2rka h SER 364 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2rka h SER 364 Cb 1.26 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2rka h SER 364 CO 0.59 0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 175.47 2rka n ASP 365 N -4.47 2.96 -0.09 3.07 5.75 -1.26 -4.91 116.55 117.61 2rka n ASP 365 Ca 0.05 -2.16 0.00 0.00 -0.01 0.00 0.00 54.79 52.66 2rka n ASP 365 Cb 0.32 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 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 1.03 0.58 3.99 6.12 0.00 -0.41 -3.47 105.19 113.03 2rka n GLY 366 Ca 0.16 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 45.17 2rka n GLY 366 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2rka s GLY 367 N -2.93 1.97 0.14 -0.02 0.00 -1.24 -1.69 107.32 103.55 2rka s GLY 367 Ca 0.00 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 42.97 2rka s GLY 367 CO 0.00 -1.81 0.04 -1.34 0.00 0.00 0.00 173.10 170.00 2rka s VAL 368 N -2.74 4.10 -0.02 1.40 -7.23 -1.26 -0.98 120.40 113.67 2rka s VAL 368 Ca 0.51 -1.13 -0.11 0.00 -1.81 0.00 0.00 61.98 59.44 2rka s VAL 368 Cb -0.04 -3.03 0.01 0.00 0.56 0.00 0.00 36.38 33.88 2rka s VAL 368 CO 0.32 -0.01 0.23 -0.47 -0.31 0.00 0.00 175.10 174.86 2rka s TYR 369 N -1.57 -0.11 0.15 2.82 5.04 -0.43 -4.79 117.35 118.46 2rka s TYR 369 Ca 0.28 0.19 -0.24 0.00 -2.44 0.00 0.00 57.07 54.85 2rka s TYR 369 Cb -0.11 0.04 0.06 0.00 0.35 0.00 0.00 41.96 42.31 2rka s TYR 369 CO 0.20 -0.30 0.79 1.67 -1.34 0.00 0.00 175.55 176.57 2rka s TRP 370 N -1.07 -0.30 0.25 4.97 -2.14 -1.26 -1.33 118.94 118.06 2rka s TRP 370 Ca -0.11 0.02 -0.31 0.00 2.66 0.00 0.00 56.10 58.36 2rka s TRP 370 Cb -0.06 0.61 -0.12 0.00 -3.10 0.00 0.00 33.47 30.81 2rka s TRP 370 CO 0.02 -0.87 1.62 0.39 -2.66 0.00 0.00 176.95 175.45 2rka n GLU 371 N -0.39 2.63 -1.03 3.25 4.71 -1.26 -2.41 120.64 126.14 2rka n GLU 371 Ca -0.09 0.94 -0.01 0.00 -0.01 0.00 0.00 57.16 57.99 2rka n GLU 371 Cb 0.62 -2.73 -0.00 0.00 -1.01 0.00 0.00 31.44 28.31 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 2.78 0.50 0.26 0.62 0.00 -1.26 0.15 105.19 108.24 2rka n GLY 372 Ca 0.12 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.76 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 0.31 -6.38 -0.61 2.10 -1.66 -3.35 117.51 107.93 2rka h ILE 373 Ca -0.02 -0.72 -0.49 0.00 1.08 0.00 0.00 64.86 64.71 2rka h ILE 373 Cb 0.12 1.55 -0.06 0.00 -1.09 0.00 0.00 36.82 37.34 2rka h ILE 373 CO 0.03 0.10 -0.78 0.47 -1.08 0.00 0.00 178.15 176.90 2rka n ASP 374 N -3.30 -4.23 -3.62 2.19 8.00 -1.26 -4.36 116.55 109.97 2rka n ASP 374 Ca -0.00 -0.83 -0.27 0.00 0.71 0.00 0.00 54.79 54.40 2rka n ASP 374 Cb 0.33 -3.68 -0.16 0.00 -0.02 0.00 0.00 41.12 37.59 2rka n ASP 374 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2rka s GLU 375 N -6.64 0.19 0.61 -1.24 2.12 -1.26 -4.86 118.70 107.61 2rka s GLU 375 Ca 0.62 -0.24 -0.19 0.00 0.36 0.00 0.00 54.97 55.52 2rka s GLU 375 Cb -0.32 -1.76 -0.03 0.00 0.26 0.00 0.00 34.13 32.29 2rka s GLU 375 CO 0.85 -0.74 1.26 -2.30 -0.54 0.00 0.00 175.26 173.79 2rka n PRO 376 N 5.23 1.27 -4.18 4.30 -0.02 -1.26 -5.03 135.00 135.30 2rka n PRO 376 Ca -0.07 0.48 -0.35 0.00 -2.02 0.00 0.00 63.50 61.54 2rka n PRO 376 Cb 0.47 -2.49 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 2rka n PRO 376 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2rka s LEU 377 N -3.67 3.86 0.45 2.45 1.43 -1.26 -5.09 118.68 116.85 2rka s LEU 377 Ca 0.78 0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 53.87 2rka s LEU 377 Cb -0.40 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.74 2rka s LEU 377 CO 0.44 0.36 1.19 0.00 0.23 0.00 0.00 176.35 178.58 2rka n ALA 378 N 1.88 0.96 -1.73 4.21 0.00 -1.26 -4.90 120.51 119.67 2rka n ALA 378 Ca -0.18 0.22 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 2rka n ALA 378 Cb 0.54 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 2rka n ALA 378 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2rka n PRO 379 N -0.13 2.73 0.00 0.00 -0.04 -1.26 -1.94 135.00 134.36 2rka n PRO 379 Ca 0.08 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.52 2rka n PRO 379 Cb 0.41 -2.78 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 2rka n PRO 379 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rka n GLY 380 N 2.87 1.77 3.68 0.55 0.00 -1.26 -5.06 105.19 107.73 2rka n GLY 380 Ca 0.12 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.76 4.25 0.43 1.61 1.01 -0.82 -5.00 120.40 120.12 2rka s VAL 381 Ca 0.00 1.56 0.07 0.00 0.00 0.00 0.00 61.98 63.61 2rka s VAL 381 Cb 0.00 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2rka s VAL 381 CO 0.00 -0.04 0.31 0.42 0.00 0.00 0.00 175.10 175.79 2rka s THR 382 N 2.57 2.39 -0.08 3.92 -4.23 -1.26 -4.91 115.64 114.04 2rka s THR 382 Ca 0.56 -1.49 0.02 0.00 -1.18 0.00 0.00 61.69 59.60 2rka s THR 382 Cb -0.24 -2.88 0.01 0.00 1.34 0.00 0.00 72.50 70.73 2rka s THR 382 CO 0.20 0.00 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.50 2rka s ILE 383 N -2.56 1.37 -0.25 2.99 1.01 -1.26 -1.37 121.20 121.13 2rka s ILE 383 Ca 0.44 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 2rka s ILE 383 Cb -0.01 -1.24 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2rka s ILE 383 CO 0.25 0.41 0.15 -0.89 0.00 0.00 0.00 174.94 174.86 2rka s THR 384 N 0.68 5.18 1.14 2.92 2.01 0.50 -0.31 115.64 127.76 2rka s THR 384 Ca -0.14 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 2rka s THR 384 Cb -0.16 -3.42 0.25 0.00 0.01 0.00 0.00 72.50 69.18 2rka s THR 384 CO 0.04 0.33 1.10 -0.94 -0.69 0.00 0.00 174.62 174.45 2rka s SER 385 N 1.26 1.47 0.46 3.53 1.04 0.28 -0.66 113.70 121.09 2rka s SER 385 Ca 0.07 0.85 0.31 0.00 0.48 0.00 0.00 55.95 57.66 2rka s SER 385 Cb -0.14 -1.27 1.39 0.00 0.10 0.00 0.00 66.02 66.10 2rka s SER 385 CO 0.06 -3.81 1.93 4.11 0.98 0.00 0.00 173.24 176.51 2rka h TRP 386 N -2.36 0.00 -0.25 5.02 5.08 -1.14 -2.13 115.95 120.16 2rka h TRP 386 Ca -0.49 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.48 2rka h TRP 386 Cb 1.31 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 2rka h TRP 386 CO -1.19 0.00 0.00 1.63 -1.28 0.00 0.00 178.44 177.60 2rka n LYS 387 N -2.77 1.72 -3.66 0.12 5.02 -1.26 -4.72 118.16 112.61 2rka n LYS 387 Ca 0.00 -0.96 -0.23 0.00 -2.02 0.00 0.00 58.31 55.10 2rka n LYS 387 Cb 0.23 -1.28 0.06 0.00 -0.02 0.00 0.00 35.03 34.01 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 0.26 -4.01 -4.19 4.39 5.15 -0.80 -5.03 115.26 111.03 2rka n ASN 388 Ca 0.09 -0.67 -0.18 0.00 -0.60 0.00 0.00 54.58 53.22 2rka n ASN 388 Cb 0.27 -4.59 -0.12 0.00 -0.53 0.00 0.00 39.78 34.81 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 -6.11 0.87 0.29 1.20 1.02 -1.26 -4.93 119.74 110.83 2rka s LYS 389 Ca 0.36 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 55.00 2rka s LYS 389 Cb -0.17 -0.82 -0.12 0.00 -0.52 0.00 0.00 37.83 36.21 2rka s LYS 389 CO 0.77 0.17 1.59 -1.91 -0.92 0.00 0.00 175.35 175.05 2rka n GLU 390 N 1.02 2.66 -4.49 1.68 4.07 -1.26 -0.56 120.64 123.76 2rka n GLU 390 Ca -0.19 0.95 -0.21 0.00 -0.06 0.00 0.00 57.16 57.64 2rka n GLU 390 Cb 0.55 -2.72 -0.15 0.00 -0.06 0.00 0.00 31.44 29.05 2rka n GLU 390 CO 0.00 0.00 0.00 -0.46 -0.06 0.00 0.00 177.13 176.61 2rka s TRP 391 N 0.01 1.09 0.01 4.31 -0.00 0.57 -4.81 118.94 120.12 2rka s TRP 391 Ca 0.64 -0.26 0.06 0.00 -0.00 0.00 0.00 56.10 56.54 2rka s TRP 391 Cb -0.51 -0.75 -0.02 0.00 -0.00 0.00 0.00 33.47 32.20 2rka s TRP 391 CO 0.48 -0.09 -0.20 0.50 -0.00 0.00 0.00 176.95 177.65 2rka s ARG 392 N 0.05 1.48 0.00 5.86 3.52 -1.26 -4.15 118.95 124.45 2rka s ARG 392 Ca -0.01 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 2rka s ARG 392 Cb -0.08 -1.49 0.00 0.00 -1.56 0.00 0.00 34.95 31.82 2rka s ARG 392 CO 0.00 0.40 0.69 -0.35 -0.81 0.00 0.00 175.30 175.23 2rka n PRO 393 N 2.32 0.00 0.01 5.12 -0.04 -1.26 -1.00 135.00 140.16 2rka n PRO 393 Ca -0.16 0.20 0.13 0.00 -0.04 0.00 0.00 63.50 63.63 2rka n PRO 393 Cb 0.53 -1.51 0.48 0.00 -0.04 0.00 0.00 33.50 32.97 2rka n PRO 393 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2rka n GLN 394 N -1.19 0.04 -2.38 0.54 3.00 -1.26 -4.91 117.38 111.22 2rka n GLN 394 Ca 0.00 0.03 -0.33 0.00 -0.01 0.00 0.00 57.00 56.68 2rka n GLN 394 Cb 0.01 -1.54 -0.02 0.00 0.00 0.00 0.00 30.24 28.68 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 -3.21 6.22 0.22 1.08 1.11 -0.17 -4.99 116.67 116.93 2rka s ASP 395 Ca 0.12 1.85 0.06 0.00 0.18 0.00 0.00 52.55 54.76 2rka s ASP 395 Cb 0.18 -2.55 0.17 0.00 1.07 0.00 0.00 42.92 41.79 2rka s ASP 395 CO 0.59 -0.87 1.50 -0.33 1.18 0.00 0.00 175.17 177.24 2rka h GLU 396 N 1.16 0.13 -6.49 8.23 5.08 -1.90 -3.45 114.58 117.33 2rka h GLU 396 Ca -0.48 -0.11 -0.53 0.00 -1.00 0.00 0.00 59.36 57.23 2rka h GLU 396 Cb 1.21 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2rka h GLU 396 CO 0.59 0.80 0.09 -1.21 -1.00 0.00 0.00 179.01 178.28 2rka s GLU 397 N -3.46 4.30 0.65 2.33 0.41 -1.26 -5.07 118.70 116.61 2rka s GLU 397 Ca -0.02 0.89 -0.15 0.00 -0.41 0.00 0.00 54.97 55.28 2rka s GLU 397 Cb 0.11 -3.03 -0.00 0.00 -1.78 0.00 0.00 34.13 29.44 2rka s GLU 397 CO 0.80 0.48 1.12 -1.25 -0.49 0.00 0.00 175.26 175.91 2rka s PRO 398 N -1.65 2.80 0.35 0.39 0.04 -1.26 -4.95 135.00 130.72 2rka s PRO 398 Ca 0.39 1.43 0.17 0.00 0.04 0.00 0.00 61.00 63.02 2rka s PRO 398 Cb -0.18 -1.95 0.61 0.00 0.04 0.00 0.00 34.50 33.01 2rka s PRO 398 CO 0.22 -1.25 1.71 0.00 0.04 0.00 0.00 177.00 177.71 2rka s ALA 400 N -3.63 1.91 0.36 0.00 0.00 -1.26 -0.85 121.76 118.29 2rka s ALA 400 Ca -0.00 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 50.45 2rka s ALA 400 Cb 0.11 -0.31 -0.11 0.00 0.00 0.00 0.00 23.12 22.81 2rka s ALA 400 CO 0.71 0.41 1.50 -1.58 0.00 0.00 0.00 175.76 176.80 2rka s HIS 401 N -1.01 2.64 0.52 0.00 2.46 -0.79 -4.89 115.29 114.22 2rka s HIS 401 Ca 0.08 1.09 0.27 0.00 0.47 0.00 0.00 55.06 56.98 2rka s HIS 401 Cb -0.10 -4.02 1.40 0.00 -0.13 0.00 0.00 32.58 29.74 2rka s HIS 401 CO 0.04 -3.08 1.93 -1.35 -2.47 0.00 0.00 174.74 169.81 2rka h PRO 402 N 3.43 0.04 -0.70 2.88 0.11 -1.97 -0.91 132.00 134.89 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 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2rka h PRO 402 CO 0.68 0.03 0.00 -1.71 -0.21 0.00 0.00 178.00 176.78 2rka n ASN 403 N -4.34 3.98 -4.54 -2.05 5.15 -1.26 -4.70 115.26 107.50 2rka n ASN 403 Ca 0.15 -2.10 -0.33 0.00 -0.60 0.00 0.00 54.58 51.69 2rka n ASN 403 Cb 0.78 -0.50 0.13 0.00 -0.53 0.00 0.00 39.78 39.66 2rka n ASN 403 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2rka n SER 404 N 1.45 -0.77 -4.01 1.20 3.41 -0.35 -4.84 113.62 109.72 2rka n SER 404 Ca 0.24 0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 59.19 2rka n SER 404 Cb 0.66 -1.34 -0.11 0.00 -0.26 0.00 0.00 64.21 63.17 2rka n SER 404 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2rka s ARG 405 N -3.89 0.40 0.08 4.33 1.81 -0.42 -0.80 118.95 120.45 2rka s ARG 405 Ca 0.64 -0.77 0.05 0.00 -1.72 0.00 0.00 55.73 53.93 2rka s ARG 405 Cb -0.25 0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 2rka s ARG 405 CO 0.61 -0.06 -0.05 -0.59 -0.68 0.00 0.00 175.30 174.53 2rka s PHE 406 N -2.05 2.87 -0.25 -0.53 -0.12 -0.50 -1.21 117.98 116.20 2rka s PHE 406 Ca -0.10 -0.08 -0.01 0.00 -0.05 0.00 0.00 56.93 56.69 2rka s PHE 406 Cb -0.06 -1.51 0.07 0.00 -0.63 0.00 0.00 43.02 40.89 2rka s PHE 406 CO -0.03 0.44 0.02 0.00 -0.05 0.00 0.00 175.22 175.60 2rka s THR 408 N 1.59 0.68 0.24 0.00 -1.32 -0.61 -1.67 115.64 114.54 2rka s THR 408 Ca 0.01 -0.51 -0.31 0.00 -1.21 0.00 0.00 61.69 59.66 2rka s THR 408 Cb -0.18 -0.60 -0.12 0.00 -1.51 0.00 0.00 72.50 70.10 2rka s THR 408 CO -0.12 0.08 1.67 -2.84 -2.21 0.00 0.00 174.62 171.20 2rka s PRO 409 N -0.48 4.13 0.26 7.08 0.02 -1.26 -0.61 135.00 144.13 2rka s PRO 409 Ca 0.01 2.59 -0.04 0.00 0.02 0.00 0.00 61.00 63.58 2rka s PRO 409 Cb -0.05 -3.06 0.33 0.00 0.02 0.00 0.00 34.50 31.75 2rka s PRO 409 CO -0.00 -0.70 1.85 0.00 -0.33 0.00 0.00 177.00 177.82 2rka h ALA 410 N 6.08 1.21 0.00 -1.55 0.00 -1.69 -2.64 119.26 120.67 2rka h ALA 410 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2rka h ALA 410 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2rka h ALA 410 CO 0.89 0.59 0.22 0.66 0.00 0.00 0.00 179.25 181.61 2rka h SER 411 N 1.01 0.00 0.80 0.00 4.64 -1.91 -1.32 113.55 116.77 2rka h SER 411 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2rka h SER 411 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2rka h SER 411 CO -0.03 0.00 -0.52 0.00 -0.87 0.00 0.00 176.83 175.41 2rka n GLN 412 N -2.79 0.19 -1.77 4.77 6.02 -0.99 -4.84 117.38 117.97 2rka n GLN 412 Ca -0.02 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 2rka n GLN 412 Cb 0.26 -1.63 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 9.53 0.00 -0.27 0.00 0.13 -1.88 -1.67 132.00 137.84 2rka h PRO 414 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.58 2rka h PRO 414 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2rka h PRO 414 CO 0.94 0.03 -0.06 0.44 -0.23 0.00 0.00 178.00 179.13 2rka n ILE 415 N -3.32 2.38 -1.69 -3.56 -5.35 -1.26 -5.02 119.36 101.52 2rka n ILE 415 Ca -0.02 -2.41 -0.44 0.00 -0.27 0.00 0.00 62.75 59.61 2rka n ILE 415 Cb 0.16 -0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 37.75 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 -0.95 0.77 -2.16 7.28 0.13 -0.63 -0.59 119.36 123.21 2rka n ILE 416 Ca 0.27 -0.19 -0.41 0.00 -1.10 0.00 0.00 62.75 61.32 2rka n ILE 416 Cb 0.93 -1.65 -0.02 0.00 -0.84 0.00 0.00 39.64 38.05 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 0.50 6.84 0.55 9.51 2.15 0.44 -4.71 116.67 131.95 2rka s ASP 417 Ca 0.69 2.61 0.37 0.00 0.43 0.00 0.00 52.55 56.64 2rka s ASP 417 Cb -0.60 -2.64 1.93 0.00 -0.30 0.00 0.00 42.92 41.31 2rka s ASP 417 CO 0.46 -0.49 2.12 1.55 -0.17 0.00 0.00 175.17 178.64 2rka h PRO 418 N 3.74 0.00 -0.57 4.34 0.13 -1.91 -1.67 132.00 136.07 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 0.68 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 2rka n ALA 419 N -1.99 2.64 0.31 -0.56 0.00 -1.26 -4.63 120.51 115.02 2rka n ALA 419 Ca -0.02 -1.46 0.19 0.00 0.00 0.00 0.00 53.44 52.15 2rka n ALA 419 Cb 0.10 -0.82 1.02 0.00 0.00 0.00 0.00 19.45 19.75 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 3.45 0.00 -0.22 0.00 5.08 -1.62 -1.54 115.95 121.10 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 1.14 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 2rka h TRP 420 CO 0.53 0.02 0.00 0.39 -1.28 0.00 0.00 178.44 178.10 2rka n GLU 421 N -3.26 2.92 -1.97 0.12 1.02 -1.26 -4.61 120.64 113.60 2rka n GLU 421 Ca -0.02 -1.86 -0.42 0.00 -0.02 0.00 0.00 57.16 54.84 2rka n GLU 421 Cb 0.14 -1.18 -0.03 0.00 -0.02 0.00 0.00 31.44 30.36 2rka n GLU 421 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2rka s SER 422 N -1.01 6.64 0.52 1.62 0.01 -0.58 -4.76 113.70 116.14 2rka s SER 422 Ca 0.15 2.36 0.22 0.00 1.31 0.00 0.00 55.95 59.99 2rka s SER 422 Cb 0.08 -2.55 1.41 0.00 0.21 0.00 0.00 66.02 65.17 2rka s SER 422 CO 0.10 -0.90 2.12 1.55 0.41 0.00 0.00 173.24 176.52 2rka h PRO 423 N 8.97 0.00 0.00 12.44 0.13 -1.93 -1.59 132.00 150.03 2rka h PRO 423 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2rka h PRO 423 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2rka h PRO 423 CO 0.94 0.08 0.00 -0.85 -0.23 0.00 0.00 178.00 177.94 2rka n GLU 424 N -4.06 0.22 0.00 0.86 0.00 -1.26 -4.06 120.64 112.34 2rka n GLU 424 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 57.16 57.32 2rka n GLU 424 Cb 0.16 -1.76 0.00 0.00 0.00 0.00 0.00 31.44 29.84 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 1.31 -1.20 3.56 -1.84 0.00 -0.60 -4.70 105.19 101.72 2rka n GLY 425 Ca 0.06 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.16 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 -1.24 3.45 -0.33 1.61 -7.23 0.52 -4.74 120.40 112.44 2rka s VAL 426 Ca 0.00 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 2rka s VAL 426 Cb 0.00 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.49 2rka s VAL 426 CO 0.00 0.43 1.09 -2.16 -0.31 0.00 0.00 175.10 174.15 2rka s PRO 427 N -1.27 4.04 -0.17 4.82 0.04 -1.26 -0.43 135.00 140.77 2rka s PRO 427 Ca 0.15 1.05 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 2rka s PRO 427 Cb -0.11 -3.75 -0.01 0.00 0.04 0.00 0.00 34.50 30.67 2rka s PRO 427 CO 0.06 -0.93 0.93 0.42 0.04 0.00 0.00 177.00 177.51 2rka s ILE 428 N 3.72 4.80 -0.34 0.56 -1.09 0.74 -3.89 121.20 125.69 2rka s ILE 428 Ca 0.46 1.84 0.12 0.00 -2.23 0.00 0.00 60.65 60.84 2rka s ILE 428 Cb -0.12 -4.23 -0.15 0.00 -1.58 0.00 0.00 42.46 36.38 2rka s ILE 428 CO 0.16 -0.03 0.41 -0.62 -1.23 0.00 0.00 174.94 173.63 2rka n GLU 429 N 5.47 2.02 -3.79 2.79 1.02 -0.47 -4.51 120.64 123.16 2rka n GLU 429 Ca 0.08 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 57.05 2rka n GLU 429 Cb 0.48 -1.15 -0.11 0.00 -0.02 0.00 0.00 31.44 30.64 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 -2.63 -0.15 -0.08 0.62 0.00 -1.24 -2.28 107.32 101.56 2rka s GLY 430 Ca 0.01 0.52 0.04 0.00 0.00 0.00 0.00 44.72 45.29 2rka s GLY 430 CO 0.49 0.39 -0.22 -0.42 0.00 0.00 0.00 173.10 173.35 2rka s ILE 431 N -0.39 1.87 -0.17 0.90 1.01 0.15 -1.29 121.20 123.27 2rka s ILE 431 Ca -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.68 2rka s ILE 431 Cb -0.03 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2rka s ILE 431 CO 0.01 0.52 -0.17 -0.63 0.00 0.00 0.00 174.94 174.67 2rka s ILE 432 N 0.25 2.42 0.28 2.92 1.01 0.06 -0.82 121.20 127.31 2rka s ILE 432 Ca -0.14 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.73 2rka s ILE 432 Cb -0.16 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2rka s ILE 432 CO 0.06 0.52 0.36 -0.36 0.00 0.00 0.00 174.94 175.53 2rka s PHE 433 N 1.04 3.27 -0.23 3.97 0.08 0.38 -0.57 117.98 125.91 2rka s PHE 433 Ca -0.01 -0.11 -0.37 0.00 0.12 0.00 0.00 56.93 56.56 2rka s PHE 433 Cb -0.14 -1.68 0.15 0.00 -0.57 0.00 0.00 43.02 40.77 2rka s PHE 433 CO -0.05 0.31 1.37 0.20 -0.10 0.00 0.00 175.22 176.94 2rka s GLY 434 N -4.02 -0.27 0.36 4.36 0.00 -1.18 -0.81 107.32 105.77 2rka s GLY 434 Ca 0.37 1.67 -0.10 0.00 0.00 0.00 0.00 44.72 46.67 2rka s GLY 434 CO 0.29 0.53 0.64 -0.32 0.00 0.00 0.00 173.10 174.24 2rka s GLY 435 N -2.24 0.86 -0.55 0.20 0.00 -1.16 -4.11 107.32 100.32 2rka s GLY 435 Ca 0.12 -1.08 -0.19 0.00 0.00 0.00 0.00 44.72 43.57 2rka s GLY 435 CO -0.03 -0.62 0.66 -1.60 0.00 0.00 0.00 173.10 171.51 2rka s ARG 436 N -2.71 3.07 -0.24 2.90 3.52 -1.26 -4.43 118.95 119.80 2rka s ARG 436 Ca 0.22 -1.18 0.01 0.00 -0.13 0.00 0.00 55.73 54.65 2rka s ARG 436 Cb -0.03 -4.20 0.06 0.00 -1.56 0.00 0.00 34.95 29.22 2rka s ARG 436 CO 0.15 -1.40 -0.06 1.03 -0.81 0.00 0.00 175.30 174.21 2rka s ARG 437 N 2.59 1.71 0.52 5.12 1.81 -1.26 -0.29 118.95 129.15 2rka s ARG 437 Ca 0.12 -1.03 0.24 0.00 -1.72 0.00 0.00 55.73 53.34 2rka s ARG 437 Cb -0.23 -2.63 1.41 0.00 -0.45 0.00 0.00 34.95 33.06 2rka s ARG 437 CO 0.08 -0.59 2.10 -1.00 -0.68 0.00 0.00 175.30 175.21 2rka h PRO 438 N 7.93 0.00 -4.37 3.54 0.13 -1.96 -3.16 132.00 134.12 2rka h PRO 438 Ca -0.18 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.74 2rka h PRO 438 Cb 1.07 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.01 2rka h PRO 438 CO 0.42 0.10 -0.71 0.00 -0.23 0.00 0.00 178.00 177.59 2rka s ALA 439 N -4.45 0.52 0.00 -0.56 0.00 -1.26 -0.81 121.76 115.19 2rka s ALA 439 Ca -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2rka s ALA 439 Cb 0.14 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.40 2rka s ALA 439 CO 0.61 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2rka n GLY 440 N 0.96 2.08 3.53 0.00 0.00 -1.26 -4.96 105.19 105.54 2rka n GLY 440 Ca -0.19 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.52 5.27 0.88 1.61 1.01 -1.26 -4.71 120.40 122.67 2rka s VAL 441 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 61.69 2rka s VAL 441 Cb 0.00 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.68 2rka s VAL 441 CO 0.00 -0.01 0.52 -2.65 0.00 0.00 0.00 175.10 172.96 2rka n PRO 442 N 5.15 -0.09 -0.25 2.72 -0.02 -1.26 -4.81 135.00 136.43 2rka n PRO 442 Ca -0.12 0.02 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 2rka n PRO 442 Cb 0.50 -1.91 0.18 0.00 -0.02 0.00 0.00 33.50 32.25 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 -1.19 0.22 -7.16 2.45 5.85 -1.70 -3.32 115.31 110.45 2rka h LEU 443 Ca -0.44 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 2rka h LEU 443 Cb 1.30 0.11 -0.24 0.00 0.37 0.00 0.00 40.66 42.20 2rka h LEU 443 CO 0.38 0.07 -0.14 0.54 -0.34 0.00 0.00 178.44 178.95 2rka s VAL 444 N -6.03 -0.01 0.22 1.05 0.11 -1.26 -0.91 120.40 113.58 2rka s VAL 444 Ca -0.12 0.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.97 2rka s VAL 444 Cb 0.20 -0.75 -0.05 0.00 -1.53 0.00 0.00 36.38 34.26 2rka s VAL 444 CO 0.76 0.01 0.06 -0.72 -3.33 0.00 0.00 175.10 171.89 2rka s TYR 445 N 0.91 1.39 -0.07 1.54 1.13 -0.36 -4.54 117.35 117.34 2rka s TYR 445 Ca -0.05 -1.13 0.04 0.00 -1.41 0.00 0.00 57.07 54.51 2rka s TYR 445 Cb -0.05 -0.80 0.00 0.00 -1.10 0.00 0.00 41.96 40.01 2rka s TYR 445 CO -0.08 -0.31 -0.18 -2.00 -2.51 0.00 0.00 175.55 170.47 2rka s GLU 446 N -4.00 2.21 0.63 -3.49 2.12 0.14 -0.83 118.70 115.47 2rka s GLU 446 Ca 0.33 -0.64 -0.18 0.00 0.36 0.00 0.00 54.97 54.83 2rka s GLU 446 Cb 0.07 -1.77 -0.02 0.00 0.26 0.00 0.00 34.13 32.66 2rka s GLU 446 CO 0.10 0.15 1.21 0.00 -0.54 0.00 0.00 175.26 176.18 2rka n ALA 447 N 3.50 0.94 0.28 6.30 0.00 -0.00 -0.75 120.51 130.77 2rka n ALA 447 Ca -0.20 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.37 2rka n ALA 447 Cb 0.52 -2.27 0.20 0.00 0.00 0.00 0.00 19.45 17.90 2rka n ALA 447 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2rka h LEU 448 N 0.60 0.00 -7.75 0.00 3.38 -1.89 -3.44 115.31 106.20 2rka h LEU 448 Ca -0.50 -0.00 0.18 0.00 0.09 0.00 0.00 57.88 57.64 2rka h LEU 448 Cb 1.34 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.03 2rka h LEU 448 CO 0.53 0.00 0.54 -0.94 0.09 0.00 0.00 178.44 178.66 2rka s SER 449 N -5.96 -0.10 0.17 -0.43 1.04 -1.26 -4.99 113.70 102.18 2rka s SER 449 Ca 0.07 -0.51 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 2rka s SER 449 Cb 0.06 0.48 0.10 0.00 0.10 0.00 0.00 66.02 66.76 2rka s SER 449 CO 0.66 -0.92 1.80 -0.25 0.98 0.00 0.00 173.24 175.52 2rka h TRP 450 N 2.00 0.52 -0.47 5.02 2.91 -1.93 -0.24 115.95 123.76 2rka h TRP 450 Ca -0.26 0.02 -0.05 0.00 1.13 0.00 0.00 58.89 59.73 2rka h TRP 450 Cb 1.22 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.69 2rka h TRP 450 CO 0.77 0.28 0.10 1.96 -1.03 0.00 0.00 178.44 180.52 2rka h GLN 451 N 0.55 0.77 -0.86 2.65 7.50 -1.96 -0.28 115.11 123.48 2rka h GLN 451 Ca 0.20 -0.19 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 2rka h GLN 451 Cb 0.05 -0.10 -0.04 0.00 0.05 0.00 0.00 27.48 27.44 2rka h GLN 451 CO -0.11 0.77 0.52 1.25 -1.50 0.00 0.00 178.83 179.76 2rka h HIS 452 N 0.64 1.13 -0.47 2.96 2.76 -1.90 -1.46 115.15 118.80 2rka h HIS 452 Ca 0.15 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 2rka h HIS 452 Cb 0.36 -0.37 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 2rka h HIS 452 CO 0.02 0.75 0.28 0.78 -1.30 0.00 0.00 177.93 178.47 2rka h GLY 453 N 1.18 0.67 1.01 5.26 0.00 -0.50 0.74 103.07 111.42 2rka h GLY 453 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.43 2rka h GLY 453 CO -0.06 0.19 0.49 -2.08 0.00 0.00 0.00 176.54 175.07 2rka h VAL 454 N 0.57 1.21 -0.54 4.60 2.07 -0.87 -1.69 116.25 121.60 2rka h VAL 454 Ca 0.19 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.36 2rka h VAL 454 Cb 0.01 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 29.83 2rka h VAL 454 CO -0.08 0.21 0.24 0.15 0.02 0.00 0.00 177.57 178.11 2rka h PHE 455 N 1.04 0.44 -0.41 1.57 3.57 -0.82 -0.87 116.94 121.46 2rka h PHE 455 Ca 0.28 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.81 2rka h PHE 455 Cb -0.08 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2rka h PHE 455 CO -0.01 0.18 0.27 0.28 -2.23 0.00 0.00 178.31 176.80 2rka h VAL 456 N 0.47 1.09 -0.55 1.41 2.07 -0.28 0.10 116.25 120.55 2rka h VAL 456 Ca 0.25 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.63 2rka h VAL 456 Cb 0.21 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 2rka h VAL 456 CO -0.21 0.10 0.29 1.23 0.02 0.00 0.00 177.57 179.00 2rka h GLY 457 N 0.55 0.78 1.96 2.17 0.00 -1.14 -2.60 103.07 104.79 2rka h GLY 457 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2rka h GLY 457 CO -0.04 0.13 -0.17 0.00 0.00 0.00 0.00 176.54 176.47 2rka h ALA 458 N 1.29 1.66 -0.01 3.60 0.00 -0.31 -1.24 119.26 124.25 2rka h ALA 458 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2rka h ALA 458 Cb 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2rka h ALA 458 CO -0.16 0.25 -0.23 0.00 0.00 0.00 0.00 179.25 179.12 2rka n ALA 459 N -2.50 3.02 -1.60 0.00 0.00 -0.06 -4.51 120.51 114.85 2rka n ALA 459 Ca -0.02 -0.39 -0.52 0.00 0.00 0.00 0.00 53.44 52.50 2rka n ALA 459 Cb 0.25 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.62 1.16 -4.11 0.00 2.81 -1.06 -4.91 117.12 110.38 2rka n MET 460 Ca 0.13 0.42 -0.12 0.00 -1.81 0.00 0.00 57.70 56.32 2rka n MET 460 Cb 0.34 -2.07 -0.11 0.00 -0.71 0.00 0.00 33.22 30.68 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 0.68 0.67 -0.20 0.03 0.52 -1.26 -1.59 118.95 117.80 2rka s ARG 461 Ca 0.85 -1.02 -0.24 0.00 -0.52 0.00 0.00 55.73 54.80 2rka s ARG 461 Cb -0.96 -0.27 0.06 0.00 0.52 0.00 0.00 34.95 34.31 2rka s ARG 461 CO 0.48 0.02 0.65 0.45 0.02 0.00 0.00 175.30 176.92 2rka s SER 462 N -2.24 -0.66 0.03 0.23 0.15 -0.12 -4.30 113.70 106.80 2rka s SER 462 Ca -0.00 1.15 -0.30 0.00 0.70 0.00 0.00 55.95 57.50 2rka s SER 462 Cb -0.03 1.14 -0.07 0.00 -1.71 0.00 0.00 66.02 65.35 2rka s SER 462 CO -0.02 -0.31 1.50 -0.70 1.20 0.00 0.00 173.24 174.91 2rka s GLU 463 N -0.02 4.25 0.00 5.44 2.12 0.61 -1.10 118.70 130.00 2rka s GLU 463 Ca -0.03 2.11 0.00 0.00 0.36 0.00 0.00 54.97 57.41 2rka s GLU 463 Cb -0.04 -3.56 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2rka s GLU 463 CO 0.03 -0.63 0.69 0.00 -0.54 0.00 0.00 175.26 174.80 2rka n ALA 464 N 5.37 0.00 -2.86 6.30 0.00 -1.26 -4.82 120.51 123.24 2rka n ALA 464 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.49 2rka n ALA 464 Cb 0.42 0.34 -0.11 0.00 0.00 0.00 0.00 19.45 20.11 2rka n ALA 464 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2rka s LYS 473 N -1.84 0.36 -0.02 0.00 1.02 -1.26 -5.06 119.74 112.94 2rka s LYS 473 Ca 0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 55.97 55.29 2rka s LYS 473 Cb 0.00 0.11 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2rka s LYS 473 CO 0.00 -0.05 0.04 0.08 -0.92 0.00 0.00 175.35 174.49 2rka s VAL 474 N -1.78 -0.03 -0.23 3.17 1.01 -1.26 -5.13 120.40 116.15 2rka s VAL 474 Ca -0.13 0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.72 2rka s VAL 474 Cb -0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 36.38 36.22 2rka s VAL 474 CO -0.02 0.05 0.88 -0.63 0.00 0.00 0.00 175.10 175.39 2rka s ILE 475 N 0.66 4.80 0.26 2.22 1.01 -1.26 -4.39 121.20 124.50 2rka s ILE 475 Ca -0.05 1.70 0.11 0.00 0.00 0.00 0.00 60.65 62.41 2rka s ILE 475 Cb -0.08 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 2rka s ILE 475 CO -0.02 -0.08 -0.18 0.00 0.00 0.00 0.00 174.94 174.66 2rka s MET 476 N 2.81 1.75 0.03 2.79 0.23 -0.26 -4.88 119.30 121.78 2rka s MET 476 Ca 0.38 -1.66 -0.26 0.00 -1.03 0.00 0.00 55.69 53.12 2rka s MET 476 Cb -0.15 -1.85 -0.05 0.00 -1.53 0.00 0.00 34.83 31.24 2rka s MET 476 CO 0.08 0.35 0.79 -1.01 -2.03 0.00 0.00 175.02 173.20 2rka s HIS 477 N -2.31 3.72 -0.42 3.16 3.76 -1.26 -0.95 115.29 120.99 2rka s HIS 477 Ca 0.28 1.49 0.06 0.00 -0.15 0.00 0.00 55.06 56.74 2rka s HIS 477 Cb -0.06 -2.86 0.20 0.00 1.11 0.00 0.00 32.58 30.98 2rka s HIS 477 CO 0.15 0.23 0.47 -3.47 -0.85 0.00 0.00 174.74 171.27 2rka n ASP 478 N 2.98 -0.71 -4.70 1.40 -0.08 -0.62 -4.93 116.55 109.90 2rka n ASP 478 Ca -0.01 -2.58 -0.42 0.00 -1.51 0.00 0.00 54.79 50.26 2rka n ASP 478 Cb 0.50 -0.22 -0.03 0.00 2.34 0.00 0.00 41.12 43.72 2rka n ASP 478 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2rka s PRO 479 N -0.23 4.17 -0.89 -0.67 0.04 -1.26 -1.36 135.00 134.80 2rka s PRO 479 Ca 0.33 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.84 2rka s PRO 479 Cb 0.09 -3.44 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2rka s PRO 479 CO -0.16 -0.75 0.00 1.19 0.04 0.00 0.00 177.00 177.32 2rka n PHE 480 N 5.08 0.00 -1.87 0.56 3.01 -0.49 -0.93 117.46 122.82 2rka n PHE 480 Ca 0.16 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.46 2rka n PHE 480 Cb 0.38 -2.45 -0.04 0.00 -0.01 0.00 0.00 39.48 37.36 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 1.16 -0.44 0.08 4.37 0.00 -0.46 -4.65 120.51 120.57 2rka n ALA 481 Ca -0.08 0.21 0.07 0.00 0.00 0.00 0.00 53.44 53.64 2rka n ALA 481 Cb 0.53 -1.75 0.14 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.43 2.11 -0.23 0.00 2.81 -0.11 -4.76 117.12 114.51 2rka n MET 482 Ca -0.18 -1.85 0.03 0.00 -1.81 0.00 0.00 57.70 53.89 2rka n MET 482 Cb 0.59 -1.30 0.12 0.00 -0.71 0.00 0.00 33.22 31.92 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 2.53 0.12 -0.04 0.03 2.43 -1.85 0.34 114.38 117.94 2rka h ARG 483 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2rka h ARG 483 Cb 0.70 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2rka h ARG 483 CO 0.00 0.08 0.00 -0.35 -1.51 0.00 0.00 179.97 178.19 2rka n PRO 484 N -5.30 1.17 0.00 0.20 -0.05 -1.26 -4.27 135.00 125.49 2rka n PRO 484 Ca 0.11 -0.25 0.00 0.00 -0.05 0.00 0.00 63.50 63.31 2rka n PRO 484 Cb 0.40 -1.30 0.00 0.00 -0.05 0.00 0.00 33.50 32.55 2rka n PRO 484 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 2rka n PHE 485 N -0.53 0.00 -1.68 0.54 3.72 0.11 -5.04 117.46 114.59 2rka n PHE 485 Ca 0.14 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 57.09 2rka n PHE 485 Cb 0.12 0.00 -0.04 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 -0.13 2.45 1.01 1.38 3.72 -0.82 -3.81 117.46 121.26 2rka n PHE 486 Ca 0.00 -0.07 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 2rka n PHE 486 Cb 0.08 -2.69 0.58 0.00 -0.94 0.00 0.00 39.48 36.52 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 4.21 -1.28 3.86 1.37 0.00 -1.25 -4.92 105.19 107.18 2rka n GLY 487 Ca 0.20 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 46.08 2rka n GLY 487 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2rka n TYR 488 N -1.42 -1.49 -1.60 1.61 4.11 -1.26 -4.71 117.16 112.40 2rka n TYR 488 Ca 0.08 -1.35 -0.59 0.00 -0.00 0.00 0.00 57.90 56.04 2rka n TYR 488 Cb 0.26 0.66 -0.09 0.00 -0.00 0.00 0.00 39.34 40.18 2rka n TYR 488 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.86 175.15 2rka n ASN 489 N -1.33 1.80 -0.37 9.48 2.85 -0.39 -4.70 115.26 122.59 2rka n ASN 489 Ca -0.03 0.93 0.01 0.00 -0.11 0.00 0.00 54.58 55.38 2rka n ASN 489 Cb 0.59 -1.06 0.15 0.00 1.24 0.00 0.00 39.78 40.70 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 7.80 1.23 -0.71 1.20 3.57 -1.89 -0.60 116.94 127.53 2rka h PHE 490 Ca -0.37 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.22 2rka h PHE 490 Cb 1.35 -0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 2rka h PHE 490 CO 0.81 0.70 0.41 0.78 -2.23 0.00 0.00 178.31 178.78 2rka h GLY 491 N 1.27 1.05 1.96 2.40 0.00 -1.90 -0.04 103.07 107.80 2rka h GLY 491 Ca 0.40 -0.29 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2rka h GLY 491 CO -0.13 0.19 -0.38 0.50 0.00 0.00 0.00 176.54 176.72 2rka h LYS 492 N 0.76 0.04 -0.46 4.80 1.57 -1.54 -1.86 116.57 119.89 2rka h LYS 492 Ca 0.31 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 2rka h LYS 492 Cb 0.17 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2rka h LYS 492 CO -0.17 0.42 -0.08 -0.92 -0.57 0.00 0.00 179.45 178.13 2rka h TYR 493 N 0.04 0.96 -0.66 -1.35 5.03 -0.19 -0.39 116.97 120.41 2rka h TYR 493 Ca 0.00 -0.20 0.02 0.00 2.58 0.00 0.00 58.73 61.14 2rka h TYR 493 Cb 0.69 -0.24 -0.04 0.00 1.55 0.00 0.00 36.73 38.69 2rka h TYR 493 CO 0.00 0.94 0.42 -0.07 -1.32 0.00 0.00 178.16 178.13 2rka h LEU 494 N 0.70 0.69 -0.86 2.82 3.38 -0.81 -1.13 115.31 120.11 2rka h LEU 494 Ca 0.12 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2rka h LEU 494 Cb 0.61 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2rka h LEU 494 CO 0.04 0.49 0.43 0.00 0.09 0.00 0.00 178.44 179.48 2rka h ALA 495 N 1.27 1.10 -0.13 1.53 0.00 -1.19 -0.85 119.26 120.99 2rka h ALA 495 Ca 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2rka h ALA 495 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2rka h ALA 495 CO -0.09 0.65 0.07 1.25 0.00 0.00 0.00 179.25 181.13 2rka h HIS 496 N 1.22 0.13 -0.29 0.00 -0.00 -0.63 0.22 115.15 115.79 2rka h HIS 496 Ca 0.30 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.71 2rka h HIS 496 Cb 0.09 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.43 2rka h HIS 496 CO 0.01 0.08 0.05 -1.49 -0.00 0.00 0.00 177.93 176.58 2rka h TRP 497 N 0.14 0.08 -0.58 5.26 4.06 -1.00 -2.67 115.95 121.25 2rka h TRP 497 Ca 0.05 0.02 -0.02 0.00 2.06 0.00 0.00 58.89 61.00 2rka h TRP 497 Cb 0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.14 2rka h TRP 497 CO -0.08 0.01 0.29 -0.07 -3.56 0.00 0.00 178.44 175.03 2rka h LEU 498 N 0.15 0.72 -2.79 -4.49 3.38 -0.93 -2.46 115.31 108.90 2rka h LEU 498 Ca 0.14 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2rka h LEU 498 Cb 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2rka h LEU 498 CO -0.19 0.61 -0.00 0.77 0.09 0.00 0.00 178.44 179.72 2rka h SER 499 N 0.81 0.00 -0.11 -0.43 4.64 -0.59 -2.58 113.55 115.30 2rka h SER 499 Ca 0.20 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2rka h SER 499 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2rka h SER 499 CO -0.03 0.00 0.07 0.24 -0.87 0.00 0.00 176.83 176.24 2rka h MET 500 N 0.00 0.09 0.00 4.77 2.86 -1.44 -1.44 114.93 119.77 2rka h MET 500 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2rka h MET 500 Cb 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2rka h MET 500 CO 0.00 0.06 0.00 0.00 1.06 0.00 0.00 176.91 178.03 2rka h ALA 501 N 1.94 1.00 -0.42 6.32 0.00 -1.66 -2.91 119.26 123.53 2rka h ALA 501 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2rka h ALA 501 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2rka h ALA 501 CO -0.01 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.96 2rka n HIS 502 N -2.78 0.54 -2.37 0.00 8.25 -0.54 -4.81 115.22 113.51 2rka n HIS 502 Ca -0.00 -0.30 -0.43 0.00 -0.26 0.00 0.00 57.72 56.73 2rka n HIS 502 Cb 0.20 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 2rka n HIS 502 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2rka s ARG 503 N -1.33 3.96 0.23 -0.41 0.52 -1.10 -5.00 118.95 115.82 2rka s ARG 503 Ca 0.37 1.40 -0.32 0.00 -0.52 0.00 0.00 55.73 56.66 2rka s ARG 503 Cb 0.21 -3.88 -0.13 0.00 0.52 0.00 0.00 34.95 31.67 2rka s ARG 503 CO 0.29 -1.07 1.52 -2.30 0.02 0.00 0.00 175.30 173.76 2rka n PRO 504 N 7.24 2.28 -0.91 3.54 -0.02 -1.26 -2.51 135.00 143.35 2rka n PRO 504 Ca 0.15 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 2rka n PRO 504 Cb 0.46 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 2.50 0.00 -1.71 3.55 0.00 -1.26 -4.95 120.51 118.65 2rka n ALA 505 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 2rka n ALA 505 Cb 0.32 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 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 1.00 2.34 -3.21 0.00 0.00 -1.04 -4.12 120.51 115.47 2rka n ALA 506 Ca 0.00 0.40 -0.46 0.00 0.00 0.00 0.00 53.44 53.38 2rka n ALA 506 Cb 0.01 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 16.98 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 0.54 3.52 -0.03 0.00 1.02 0.17 -5.03 119.74 119.94 2rka s LYS 507 Ca 0.72 -2.15 -0.30 0.00 0.02 0.00 0.00 55.97 54.27 2rka s LYS 507 Cb -0.55 -4.53 -0.05 0.00 -0.52 0.00 0.00 37.83 32.18 2rka s LYS 507 CO 0.39 -1.44 1.44 -0.51 -0.92 0.00 0.00 175.35 174.31 2rka s LEU 508 N 1.10 4.30 0.67 3.17 1.43 -1.26 -4.48 118.68 123.61 2rka s LEU 508 Ca 0.20 2.10 -0.16 0.00 -1.03 0.00 0.00 54.13 55.24 2rka s LEU 508 Cb -0.11 -3.55 0.01 0.00 0.03 0.00 0.00 46.19 42.56 2rka s LEU 508 CO -0.07 -0.77 1.18 -2.16 0.23 0.00 0.00 176.35 174.76 2rka s PRO 509 N 2.82 2.54 0.40 1.29 0.04 -1.26 -4.98 135.00 135.85 2rka s PRO 509 Ca 0.65 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 63.09 2rka s PRO 509 Cb -0.31 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 2rka s PRO 509 CO 0.26 -1.50 1.29 0.21 0.04 0.00 0.00 177.00 177.29 2rka s LYS 510 N -3.82 3.99 -0.14 4.56 2.20 -0.97 -4.80 119.74 120.76 2rka s LYS 510 Ca 0.73 2.13 -0.01 0.00 -0.36 0.00 0.00 55.97 58.46 2rka s LYS 510 Cb -0.27 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.28 2rka s LYS 510 CO 0.41 -0.47 -0.11 0.42 -0.36 0.00 0.00 175.35 175.24 2rka s ILE 511 N -1.27 3.19 0.23 5.43 1.01 -1.26 -0.67 121.20 127.85 2rka s ILE 511 Ca 0.57 -0.61 0.10 0.00 0.00 0.00 0.00 60.65 60.70 2rka s ILE 511 Cb -0.37 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 2rka s ILE 511 CO 0.48 0.52 -0.18 -0.36 0.00 0.00 0.00 174.94 175.40 2rka s PHE 512 N 0.38 1.97 -0.04 3.97 0.40 0.00 -0.82 117.98 123.84 2rka s PHE 512 Ca -0.09 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 55.82 2rka s PHE 512 Cb -0.16 -0.90 -0.00 0.00 0.51 0.00 0.00 43.02 42.47 2rka s PHE 512 CO 0.05 0.50 -0.16 -1.58 0.70 0.00 0.00 175.22 174.73 2rka s HIS 513 N -2.59 1.56 0.13 0.36 2.46 -0.01 -0.47 115.29 116.73 2rka s HIS 513 Ca 0.24 -0.44 0.09 0.00 0.47 0.00 0.00 55.06 55.43 2rka s HIS 513 Cb -0.03 -1.06 -0.04 0.00 -0.13 0.00 0.00 32.58 31.32 2rka s HIS 513 CO 0.10 -0.15 -0.22 0.14 -2.47 0.00 0.00 174.74 172.13 2rka s VAL 514 N 0.06 1.97 -0.31 0.89 -7.23 0.01 -1.23 120.40 114.57 2rka s VAL 514 Ca -0.03 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.37 2rka s VAL 514 Cb -0.11 -1.81 0.11 0.00 0.56 0.00 0.00 36.38 35.13 2rka s VAL 514 CO 0.02 -0.07 0.15 0.21 -0.31 0.00 0.00 175.10 175.09 2rka s ASN 515 N -2.20 3.44 0.14 4.85 3.04 -0.08 -2.97 114.94 121.16 2rka s ASN 515 Ca 0.12 -1.55 0.23 0.00 0.04 0.00 0.00 52.86 51.70 2rka s ASN 515 Cb -0.09 -0.41 0.89 0.00 -1.54 0.00 0.00 41.25 40.11 2rka s ASN 515 CO 0.06 -0.40 1.69 0.79 -3.04 0.00 0.00 177.10 176.20 2rka n TRP 516 N 4.90 0.51 -0.70 0.43 5.03 -1.26 -4.28 117.44 122.08 2rka n TRP 516 Ca -0.01 0.18 0.07 0.00 3.03 0.00 0.00 57.50 60.77 2rka n TRP 516 Cb 0.41 -0.79 0.20 0.00 -1.03 0.00 0.00 31.31 30.10 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 -1.95 0.67 -1.95 -5.99 3.72 -1.26 -4.59 117.46 106.12 2rka n PHE 517 Ca 0.04 -0.75 -0.42 0.00 -0.05 0.00 0.00 57.45 56.27 2rka n PHE 517 Cb 0.27 -0.20 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 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 -2.19 4.23 0.26 -1.08 3.52 -1.20 -4.03 118.95 118.45 2rka s ARG 518 Ca 0.33 2.36 0.09 0.00 -0.13 0.00 0.00 55.73 58.38 2rka s ARG 518 Cb 0.25 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.49 2rka s ARG 518 CO 0.10 -0.53 0.07 0.15 -0.81 0.00 0.00 175.30 174.28 2rka s LYS 519 N 0.23 2.53 0.00 5.12 1.02 0.01 -0.96 119.74 127.68 2rka s LYS 519 Ca 0.64 -1.27 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2rka s LYS 519 Cb -0.43 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.56 2rka s LYS 519 CO 0.39 0.38 0.00 -0.40 -0.92 0.00 0.00 175.35 174.80 2rka n ASP 520 N -0.95 0.00 0.04 2.83 3.85 0.15 -4.77 116.55 117.70 2rka n ASP 520 Ca -0.07 -0.79 0.09 0.00 -0.71 0.00 0.00 54.79 53.30 2rka n ASP 520 Cb 0.58 0.00 0.37 0.00 -1.35 0.00 0.00 41.12 40.72 2rka n ASP 520 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2rka n LYS 521 N -0.79 0.06 -0.00 0.11 4.76 -1.26 -2.73 118.16 118.31 2rka n LYS 521 Ca 0.00 0.31 0.10 0.00 -2.87 0.00 0.00 58.31 55.85 2rka n LYS 521 Cb 0.00 -1.62 -0.14 0.00 -1.84 0.00 0.00 35.03 31.43 2rka n LYS 521 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2rka n ASN 522 N -1.74 0.58 0.00 4.39 3.02 -1.26 -4.98 115.26 115.27 2rka n ASN 522 Ca 0.03 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 2rka n ASN 522 Cb 0.19 1.43 0.00 0.00 -0.61 0.00 0.00 39.78 40.78 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 1.40 0.90 3.73 7.41 0.00 -1.10 -5.08 105.19 112.44 2rka n GLY 523 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.89 4.41 0.29 1.61 2.20 -1.26 -4.82 119.74 121.28 2rka s LYS 524 Ca 0.00 0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 56.13 2rka s LYS 524 Cb 0.00 -3.42 -0.13 0.00 -1.51 0.00 0.00 37.83 32.77 2rka s LYS 524 CO 0.00 0.14 1.39 1.19 -0.36 0.00 0.00 175.35 177.71 2rka n PHE 525 N 3.52 2.34 0.18 4.03 3.01 -1.26 -0.68 117.46 128.60 2rka n PHE 525 Ca -0.03 0.46 0.12 0.00 1.01 0.00 0.00 57.45 59.00 2rka n PHE 525 Cb 0.51 -2.46 0.03 0.00 -0.01 0.00 0.00 39.48 37.55 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 3.56 0.00 -8.24 4.37 3.38 -1.38 -3.46 115.31 113.54 2rka h LEU 526 Ca -0.46 -0.04 -0.65 0.00 0.09 0.00 0.00 57.88 56.82 2rka h LEU 526 Cb 1.27 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.69 2rka h LEU 526 CO 0.70 0.02 -0.87 0.86 0.09 0.00 0.00 178.44 179.25 2rka s TRP 527 N -3.33 2.37 0.41 1.13 -0.11 -1.26 -4.64 118.94 113.51 2rka s TRP 527 Ca 0.01 -1.02 0.33 0.00 1.22 0.00 0.00 56.10 56.64 2rka s TRP 527 Cb 0.10 -1.61 1.67 0.00 -1.50 0.00 0.00 33.47 32.13 2rka s TRP 527 CO 0.78 -0.44 2.13 -1.00 -4.62 0.00 0.00 176.95 173.80 2rka h PRO 528 N 6.91 0.00 0.00 5.86 0.13 -1.90 -3.48 132.00 139.51 2rka h PRO 528 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2rka h PRO 528 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2rka h PRO 528 CO 0.49 0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 2rka n GLY 529 N -0.63 0.73 7.00 1.56 0.00 -1.26 -4.92 105.19 107.67 2rka n GLY 529 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.31 1.61 3.72 -1.26 -1.75 117.46 120.08 2rka n PHE 530 Ca 0.00 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.59 2rka n PHE 530 Cb 0.00 0.00 1.01 0.00 -0.94 0.00 0.00 39.48 39.55 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 -1.91 -1.69 103.07 102.85 2rka h GLY 531 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2rka h GLY 531 CO 0.00 0.00 -0.10 0.83 0.00 0.00 0.00 176.54 177.27 2rka h GLU 532 N 0.00 0.00 0.00 4.80 4.39 -1.66 -2.49 114.58 119.62 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 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2rka h GLU 532 CO 0.00 0.10 0.10 -0.91 -1.16 0.00 0.00 179.01 177.14 2rka h ASN 533 N 0.00 0.00 -0.13 1.42 2.35 -1.42 -1.01 115.58 116.79 2rka h ASN 533 Ca -0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2rka h ASN 533 Cb 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 2rka h ASN 533 CO 0.01 0.00 0.11 0.77 -1.65 0.00 0.00 177.43 176.67 2rka h SER 534 N 0.00 0.00 -0.06 5.81 4.64 -1.66 -1.48 113.55 120.80 2rka h SER 534 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2rka h SER 534 Cb 0.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2rka h SER 534 CO 0.00 0.00 -0.24 0.03 -0.87 0.00 0.00 176.83 175.75 2rka h ARG 535 N 0.00 0.48 -0.12 4.77 3.08 -1.42 0.11 114.38 121.27 2rka h ARG 535 Ca 0.06 -0.18 -0.23 0.00 0.07 0.00 0.00 59.98 59.70 2rka h ARG 535 Cb 0.27 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.30 2rka h ARG 535 CO -0.00 0.69 -0.84 0.28 -1.07 0.00 0.00 179.97 179.04 2rka h VAL 536 N 0.43 1.27 -0.65 2.04 2.07 -1.46 -3.03 116.25 116.92 2rka h VAL 536 Ca 0.06 -2.03 -0.05 0.00 0.82 0.00 0.00 66.70 65.51 2rka h VAL 536 Cb 0.66 2.06 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2rka h VAL 536 CO 0.05 0.64 0.21 -0.07 0.02 0.00 0.00 177.57 178.42 2rka h LEU 537 N 0.52 0.91 -0.83 2.57 3.38 -1.13 -2.00 115.31 118.73 2rka h LEU 537 Ca -0.07 -0.15 0.05 0.00 0.09 0.00 0.00 57.88 57.80 2rka h LEU 537 Cb 1.47 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 2rka h LEU 537 CO 0.17 0.85 0.52 -0.08 0.09 0.00 0.00 178.44 179.99 2rka h GLU 538 N 0.95 0.93 -0.36 1.13 4.81 -1.00 0.60 114.58 121.65 2rka h GLU 538 Ca 0.21 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2rka h GLU 538 Cb 0.26 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 2rka h GLU 538 CO -0.01 0.61 0.11 2.35 -0.73 0.00 0.00 179.01 181.34 2rka h TRP 539 N 0.95 0.58 -0.76 0.92 7.01 -1.28 -2.11 115.95 121.26 2rka h TRP 539 Ca 0.36 -0.06 -0.00 0.00 2.11 0.00 0.00 58.89 61.29 2rka h TRP 539 Cb 0.14 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.99 2rka h TRP 539 CO -0.03 0.56 0.46 0.52 -2.79 0.00 0.00 178.44 177.15 2rka h MET 540 N 0.43 1.03 -0.07 2.65 2.86 -1.02 -1.08 114.93 119.73 2rka h MET 540 Ca 0.11 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 2rka h MET 540 Cb 0.26 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2rka h MET 540 CO -0.00 0.73 -0.08 0.35 1.06 0.00 0.00 176.91 178.97 2rka h PHE 541 N 1.04 -0.20 -0.74 -0.22 3.04 -0.75 -0.51 116.94 118.60 2rka h PHE 541 Ca 0.27 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 2rka h PHE 541 Cb -0.03 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 2rka h PHE 541 CO -0.01 -0.13 0.42 0.78 -2.02 0.00 0.00 178.31 177.35 2rka h GLY 542 N -0.11 1.10 1.01 2.40 0.00 -1.13 -1.53 103.07 104.81 2rka h GLY 542 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 46.90 2rka h GLY 542 CO -0.14 0.47 0.46 3.21 0.00 0.00 0.00 176.54 180.54 2rka h ARG 543 N 1.02 0.98 -0.91 4.80 2.47 -0.94 0.66 114.38 122.46 2rka h ARG 543 Ca 0.26 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2rka h ARG 543 Cb 0.02 -0.21 -0.04 0.00 -1.65 0.00 0.00 29.97 28.08 2rka h ARG 543 CO -0.04 0.68 0.56 0.82 0.56 0.00 0.00 179.97 182.55 2rka h ILE 544 N 1.00 1.25 0.00 2.04 2.04 -0.79 -1.35 117.51 121.69 2rka h ILE 544 Ca 0.27 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.61 2rka h ILE 544 Cb -0.07 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 35.96 2rka h ILE 544 CO -0.05 0.25 0.00 -0.62 0.00 0.00 0.00 178.15 177.73 2rka n GLU 545 N -4.37 0.08 -0.38 2.37 1.02 -0.60 -4.86 120.64 113.90 2rka n GLU 545 Ca 0.10 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 2rka n GLU 545 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 2rka n GLU 545 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2rka n GLY 546 N 0.05 0.78 3.67 0.62 0.00 -0.51 -5.06 105.19 104.75 2rka n GLY 546 Ca 0.05 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 2rka n GLY 546 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rka n GLU 547 N -2.38 1.65 -1.23 1.61 1.02 0.13 -4.89 120.64 116.55 2rka n GLU 547 Ca 0.00 0.59 -0.21 0.00 -0.02 0.00 0.00 57.16 57.53 2rka n GLU 547 Cb 0.00 -2.30 -0.06 0.00 -0.02 0.00 0.00 31.44 29.06 2rka n GLU 547 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2rka n ASP 548 N 0.04 6.14 -1.29 1.62 2.03 -1.26 -4.58 116.55 119.26 2rka n ASP 548 Ca 0.08 -2.98 0.08 0.00 0.52 0.00 0.00 54.79 52.50 2rka n ASP 548 Cb 0.41 -1.24 0.30 0.00 -0.72 0.00 0.00 41.12 39.87 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 1.18 4.33 -4.46 1.67 3.41 -1.26 -4.97 113.62 113.52 2rka n SER 549 Ca 0.42 -2.52 -0.28 0.00 -0.26 0.00 0.00 58.87 56.23 2rka n SER 549 Cb 0.64 -0.52 -0.12 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.97 2.60 -0.07 7.33 0.00 -1.26 -1.26 121.76 127.14 2rka s ALA 550 Ca 0.45 -1.47 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2rka s ALA 550 Cb 0.30 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.89 2rka s ALA 550 CO 0.19 0.52 -0.16 0.21 0.00 0.00 0.00 175.76 176.52 2rka s LYS 551 N -2.34 2.68 0.07 0.00 2.20 0.11 -4.65 119.74 117.80 2rka s LYS 551 Ca 0.19 -0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 2rka s LYS 551 Cb -0.10 -2.39 -0.05 0.00 -1.51 0.00 0.00 37.83 33.79 2rka s LYS 551 CO 0.10 0.50 0.95 -1.17 -0.36 0.00 0.00 175.35 175.37 2rka s LEU 552 N -0.43 4.45 0.24 5.43 0.20 -1.26 -0.56 118.68 126.76 2rka s LEU 552 Ca 0.05 1.73 0.01 0.00 0.69 0.00 0.00 54.13 56.60 2rka s LEU 552 Cb -0.12 -3.56 -0.05 0.00 -0.43 0.00 0.00 46.19 42.03 2rka s LEU 552 CO 0.02 -0.12 0.09 0.42 -0.29 0.00 0.00 176.35 176.47 2rka s THR 553 N 0.32 0.52 0.53 3.68 -4.23 -0.52 -4.94 115.64 110.99 2rka s THR 553 Ca 0.48 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.24 2rka s THR 553 Cb -0.22 -2.58 0.38 0.00 1.34 0.00 0.00 72.50 71.42 2rka s THR 553 CO 0.29 -0.05 2.01 -0.65 -0.54 0.00 0.00 174.62 175.68 2rka h PRO 554 N 2.44 0.00 -0.00 3.99 0.11 -1.98 -2.27 132.00 134.29 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 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2rka h PRO 554 CO 0.60 0.00 -0.60 0.44 -0.21 0.00 0.00 178.00 178.23 2rka n ILE 555 N -4.36 0.00 0.00 4.15 -5.35 -1.26 -4.81 119.36 107.73 2rka n ILE 555 Ca 0.08 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 2rka n ILE 555 Cb 0.55 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 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 1.47 0.87 3.74 3.28 0.00 -0.86 -4.84 105.19 108.85 2rka n GLY 556 Ca 0.06 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 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 -1.83 3.81 0.33 1.61 1.51 0.07 -1.44 117.35 121.40 2rka s TYR 557 Ca 0.00 1.70 0.10 0.00 -1.01 0.00 0.00 57.07 57.85 2rka s TYR 557 Cb 0.00 -2.95 -0.06 0.00 -0.11 0.00 0.00 41.96 38.84 2rka s TYR 557 CO 0.00 0.27 -0.09 0.14 -1.11 0.00 0.00 175.55 174.76 2rka s VAL 558 N -0.20 2.42 0.22 0.71 -7.23 0.28 0.24 120.40 116.85 2rka s VAL 558 Ca 0.43 -2.18 -0.32 0.00 -1.81 0.00 0.00 61.98 58.10 2rka s VAL 558 Cb -0.23 -2.62 -0.13 0.00 0.56 0.00 0.00 36.38 33.96 2rka s VAL 558 CO 0.28 -0.24 1.58 -2.65 -0.31 0.00 0.00 175.10 173.75 2rka n PRO 559 N -0.80 2.41 -0.76 4.82 -0.02 -1.26 0.04 135.00 139.41 2rka n PRO 559 Ca -0.05 0.86 -0.33 0.00 -2.02 0.00 0.00 63.50 61.97 2rka n PRO 559 Cb 0.62 -2.63 0.13 0.00 -0.02 0.00 0.00 33.50 31.61 2rka n PRO 559 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2rka n LYS 560 N 2.90 -0.46 -1.66 -0.52 5.02 -0.39 -4.59 118.16 118.46 2rka n LYS 560 Ca 0.13 -0.09 -0.49 0.00 -2.02 0.00 0.00 58.31 55.85 2rka n LYS 560 Cb 0.33 -1.92 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 2rka n LYS 560 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2rka n GLU 561 N -2.11 1.92 -0.89 1.97 2.13 -1.26 -1.73 120.64 120.66 2rka n GLU 561 Ca 0.07 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.58 2rka n GLU 561 Cb 0.54 -2.46 0.00 0.00 0.27 0.00 0.00 31.44 29.79 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 4.36 -0.43 -0.04 4.31 8.00 -1.26 -4.89 116.55 126.60 2rka n ASP 562 Ca 0.20 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.61 2rka n ASP 562 Cb 0.26 -0.70 0.07 0.00 -0.02 0.00 0.00 41.12 40.73 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 0.78 -2.74 2.24 0.00 -1.67 -3.44 119.26 114.43 2rka h ALA 563 Ca 0.00 -0.44 -0.50 0.00 0.00 0.00 0.00 54.91 53.97 2rka h ALA 563 Cb 0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2rka h ALA 563 CO 0.00 0.65 0.42 -1.17 0.00 0.00 0.00 179.25 179.16 2rka s LEU 564 N -8.63 4.57 -0.49 0.00 2.96 -1.26 -4.95 118.68 110.87 2rka s LEU 564 Ca -0.08 2.09 -0.28 0.00 -0.22 0.00 0.00 54.13 55.63 2rka s LEU 564 Cb 0.12 -3.61 0.03 0.00 0.50 0.00 0.00 46.19 43.23 2rka s LEU 564 CO 0.84 -0.04 1.08 0.21 -1.32 0.00 0.00 176.35 177.12 2rka s ASN 565 N -0.77 6.56 0.00 3.68 3.84 -1.26 -4.87 114.94 122.11 2rka s ASN 565 Ca 0.44 0.28 0.07 0.00 0.21 0.00 0.00 52.86 53.86 2rka s ASN 565 Cb -0.29 -2.52 0.16 0.00 -0.55 0.00 0.00 41.25 38.05 2rka s ASN 565 CO 0.36 -1.24 1.05 0.18 -2.79 0.00 0.00 177.10 174.66 2rka n LEU 566 N 7.76 2.34 -4.77 3.21 4.77 -1.26 -4.87 117.00 124.17 2rka n LEU 566 Ca 0.10 -1.74 -0.41 0.00 -0.03 0.00 0.00 56.01 53.93 2rka n LEU 566 Cb 0.49 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2rka n LEU 566 CO 0.70 0.57 1.06 -0.54 -1.33 0.00 0.00 177.39 177.84 2rka s LYS 567 N -0.90 4.19 0.00 3.23 1.02 -1.26 -2.43 119.74 123.59 2rka s LYS 567 Ca 0.13 2.41 0.00 0.00 0.02 0.00 0.00 55.97 58.53 2rka s LYS 567 Cb 0.07 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 2rka s LYS 567 CO 0.10 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 2rka n GLY 568 N 0.61 3.12 3.90 -3.33 0.00 -1.26 -5.01 105.19 103.21 2rka n GLY 568 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 2rka n GLY 568 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2rka s LEU 569 N 0.00 3.08 0.00 0.99 1.43 -1.02 -5.10 118.68 118.06 2rka s LEU 569 Ca 0.00 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 2rka s LEU 569 Cb 0.00 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2rka s LEU 569 CO 0.00 -1.19 0.00 0.61 0.23 0.00 0.00 176.35 176.00 2rka n GLY 570 N -2.77 0.96 3.49 -3.19 0.00 -1.26 -4.90 105.19 97.51 2rka n GLY 570 Ca 0.06 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.47 2rka n GLY 570 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2rka s ASP 571 N -1.00 6.20 -0.08 1.61 3.68 -1.26 -5.01 116.67 120.81 2rka s ASP 571 Ca 0.00 -0.72 -0.20 0.00 2.13 0.00 0.00 52.55 53.76 2rka s ASP 571 Cb 0.00 -2.47 -0.04 0.00 -1.45 0.00 0.00 42.92 38.96 2rka s ASP 571 CO 0.00 -1.54 0.56 0.54 0.13 0.00 0.00 175.17 174.86 2rka s VAL 572 N 4.58 5.10 -1.22 1.11 0.11 -1.26 -5.00 120.40 123.82 2rka s VAL 572 Ca 0.27 1.13 -0.20 0.00 -2.93 0.00 0.00 61.98 60.26 2rka s VAL 572 Cb -0.13 -3.89 0.05 0.00 -1.53 0.00 0.00 36.38 30.88 2rka s VAL 572 CO 0.13 0.33 1.69 0.21 -3.33 0.00 0.00 175.10 174.12 2rka s ASN 573 N 0.50 6.63 0.17 3.54 3.84 -1.26 -4.81 114.94 123.55 2rka s ASN 573 Ca 0.30 -2.15 -0.10 0.00 0.21 0.00 0.00 52.86 51.12 2rka s ASN 573 Cb -0.16 -2.58 0.05 0.00 -0.55 0.00 0.00 41.25 38.01 2rka s ASN 573 CO 0.14 -1.38 1.63 0.58 -2.79 0.00 0.00 177.10 175.27 2rka h VAL 574 N 5.92 1.27 -0.37 -5.21 2.07 -1.95 -0.86 116.25 117.10 2rka h VAL 574 Ca 0.37 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.82 2rka h VAL 574 Cb 0.91 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 2rka h VAL 574 CO 1.44 0.41 -0.08 -0.08 0.02 0.00 0.00 177.57 179.28 2rka h GLU 575 N 0.91 0.01 -0.19 1.57 4.22 -1.96 0.44 114.58 119.59 2rka h GLU 575 Ca 0.16 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.50 2rka h GLU 575 Cb 0.56 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 2rka h GLU 575 CO 0.03 0.01 -0.27 1.49 -2.18 0.00 0.00 179.01 178.09 2rka h GLU 576 N 0.01 0.51 -0.88 1.92 4.81 -1.92 -0.11 114.58 118.91 2rka h GLU 576 Ca 0.18 -0.30 0.09 0.00 -0.13 0.00 0.00 59.36 59.20 2rka h GLU 576 Cb 0.27 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.61 2rka h GLU 576 CO -0.38 0.89 0.53 -0.07 -0.73 0.00 0.00 179.01 179.26 2rka h LEU 577 N 0.17 0.80 -2.27 1.64 3.38 -0.90 -2.96 115.31 115.16 2rka h LEU 577 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2rka h LEU 577 Cb 0.84 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2rka h LEU 577 CO 0.06 0.47 0.00 0.49 0.09 0.00 0.00 178.44 179.55 2rka n PHE 578 N -4.66 0.39 -1.86 1.13 3.72 0.12 -2.79 117.46 113.51 2rka n PHE 578 Ca 0.14 -0.26 -0.40 0.00 -0.05 0.00 0.00 57.45 56.88 2rka n PHE 578 Cb 0.26 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 2rka n PHE 578 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2rka s GLY 579 N -1.24 2.94 -0.13 1.37 0.00 -0.06 -4.84 107.32 105.36 2rka s GLY 579 Ca 0.30 1.48 -0.01 0.00 0.00 0.00 0.00 44.72 46.49 2rka s GLY 579 CO 0.24 2.13 -0.05 -0.42 0.00 0.00 0.00 173.10 175.00 2rka s ILE 580 N -1.16 0.92 -0.18 0.90 1.01 -1.26 -4.52 121.20 116.91 2rka s ILE 580 Ca 0.55 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.79 2rka s ILE 580 Cb -0.44 -1.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2rka s ILE 580 CO 0.59 0.24 0.03 -0.55 0.00 0.00 0.00 174.94 175.25 2rka s SER 581 N 1.74 5.33 0.19 3.58 0.15 -1.26 -5.00 113.70 118.43 2rka s SER 581 Ca 0.03 -0.01 -0.12 0.00 0.70 0.00 0.00 55.95 56.55 2rka s SER 581 Cb -0.14 -1.91 0.17 0.00 -1.71 0.00 0.00 66.02 62.44 2rka s SER 581 CO -0.08 0.15 1.77 0.50 1.20 0.00 0.00 173.24 176.79 2rka h LYS 582 N 6.87 0.46 -0.59 5.44 3.64 -1.98 -1.40 116.57 129.00 2rka h LYS 582 Ca -0.35 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 2rka h LYS 582 Cb 1.18 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2rka h LYS 582 CO 0.67 0.30 0.35 0.93 -2.27 0.00 0.00 179.45 179.43 2rka h GLU 583 N 0.47 0.67 -0.25 1.90 3.07 -1.97 0.99 114.58 119.46 2rka h GLU 583 Ca 0.24 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.01 2rka h GLU 583 Cb 0.20 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2rka h GLU 583 CO -0.20 0.44 -0.06 0.35 -1.40 0.00 0.00 179.01 178.15 2rka h PHE 584 N 0.69 0.55 0.00 4.33 3.57 -1.91 -2.99 116.94 121.18 2rka h PHE 584 Ca 0.24 -0.12 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 2rka h PHE 584 Cb 0.04 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 2rka h PHE 584 CO -0.06 0.71 -0.55 -1.49 -2.23 0.00 0.00 178.31 174.68 2rka h TRP 585 N 0.24 0.00 -0.30 0.41 4.06 -1.04 0.69 115.95 120.01 2rka h TRP 585 Ca 0.06 0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.05 2rka h TRP 585 Cb 0.53 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.66 2rka h TRP 585 CO 0.05 0.55 0.10 0.93 -3.56 0.00 0.00 178.44 176.52 2rka h GLU 586 N 0.00 0.23 -0.39 0.49 5.08 -0.84 -0.45 114.58 118.71 2rka h GLU 586 Ca -0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2rka h GLU 586 Cb 1.17 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2rka h GLU 586 CO 0.07 0.15 0.09 0.87 -1.00 0.00 0.00 179.01 179.20 2rka h LYS 587 N 0.24 0.62 -0.18 2.33 1.57 -1.31 -2.55 116.57 117.29 2rka h LYS 587 Ca 0.13 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2rka h LYS 587 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2rka h LYS 587 CO -0.14 0.65 0.05 1.49 -0.57 0.00 0.00 179.45 180.94 2rka h GLU 588 N 0.48 0.13 -0.32 3.15 4.57 -0.70 -1.93 114.58 119.97 2rka h GLU 588 Ca 0.12 -0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 2rka h GLU 588 Cb 0.31 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2rka h GLU 588 CO 0.00 0.09 -0.20 -0.24 -1.18 0.00 0.00 179.01 177.48 2rka h VAL 589 N 0.14 1.26 -0.26 0.32 3.04 -1.07 -0.62 116.25 119.06 2rka h VAL 589 Ca 0.08 -1.23 -0.02 0.00 -1.01 0.00 0.00 66.70 64.52 2rka h VAL 589 Cb 0.05 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2rka h VAL 589 CO -0.09 0.40 0.10 -0.08 -1.01 0.00 0.00 177.57 176.89 2rka h GLU 590 N 0.53 0.39 -0.40 4.17 4.57 -1.28 -0.17 114.58 122.40 2rka h GLU 590 Ca 0.08 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2rka h GLU 590 Cb 0.64 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 2rka h GLU 590 CO 0.05 0.43 0.24 1.49 -1.18 0.00 0.00 179.01 180.04 2rka h GLU 591 N 0.26 0.54 -0.40 1.92 4.22 -1.14 -1.01 114.58 118.97 2rka h GLU 591 Ca 0.09 -0.05 0.03 0.00 0.08 0.00 0.00 59.36 59.50 2rka h GLU 591 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2rka h GLU 591 CO -0.01 0.40 0.21 0.82 -2.18 0.00 0.00 179.01 178.25 2rka h ILE 592 N 0.53 0.99 0.03 2.32 2.04 -0.95 -0.99 117.51 121.48 2rka h ILE 592 Ca 0.14 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2rka h ILE 592 Cb -0.00 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 2rka h ILE 592 CO -0.03 0.08 -0.27 -0.78 0.00 0.00 0.00 178.15 177.15 2rka h ASP 593 N 0.42 -0.78 -0.59 1.72 -0.00 -0.74 -0.43 116.42 116.03 2rka h ASP 593 Ca 0.17 0.10 0.02 0.00 -0.00 0.00 0.00 57.03 57.32 2rka h ASP 593 Cb 0.06 0.31 -0.03 0.00 -0.00 0.00 0.00 39.33 39.67 2rka h ASP 593 CO -0.11 -0.34 0.37 0.11 -0.00 0.00 0.00 179.24 179.27 2rka h LYS 594 N -0.43 0.72 0.07 0.28 1.57 -1.01 -0.31 116.57 117.46 2rka h LYS 594 Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2rka h LYS 594 Cb 0.49 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 2rka h LYS 594 CO -0.21 0.48 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.15 2rka h TYR 595 N 0.75 -0.19 -0.60 -1.35 3.20 -0.91 -1.24 116.97 116.62 2rka h TYR 595 Ca 0.23 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 2rka h TYR 595 Cb -0.03 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 2rka h TYR 595 CO -0.05 -0.12 0.02 -0.07 -1.64 0.00 0.00 178.16 176.31 2rka h LEU 596 N -0.16 1.02 -0.20 2.82 3.38 -0.79 0.17 115.31 121.54 2rka h LEU 596 Ca 0.01 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2rka h LEU 596 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2rka h LEU 596 CO -0.03 1.06 0.11 -0.08 0.09 0.00 0.00 178.44 179.59 2rka h GLU 597 N 0.96 0.28 0.71 1.13 4.81 -0.98 -0.82 114.58 120.67 2rka h GLU 597 Ca 0.18 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2rka h GLU 597 Cb 0.53 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.86 2rka h GLU 597 CO 0.03 0.27 -0.34 0.22 -0.73 0.00 0.00 179.01 178.46 2rka h ASP 598 N 0.22 -0.81 1.52 1.04 -0.00 -0.98 -2.82 116.42 114.59 2rka h ASP 598 Ca 0.07 0.03 -0.09 0.00 -0.00 0.00 0.00 57.03 57.04 2rka h ASP 598 Cb 0.07 0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.60 2rka h ASP 598 CO -0.01 -0.48 -0.48 1.56 -0.00 0.00 0.00 179.24 179.82 2rka h GLN 599 N -1.16 0.00 0.00 0.28 1.08 -0.73 0.43 115.11 115.01 2rka h GLN 599 Ca -0.10 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 56.92 2rka h GLN 599 Cb 0.73 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 2rka h GLN 599 CO 0.16 0.39 -1.70 0.28 -0.95 0.00 0.00 178.83 177.01 2rka n VAL 600 N -3.17 0.70 0.00 -0.54 0.31 -0.35 -4.55 118.33 110.73 2rka n VAL 600 Ca 0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2rka n VAL 600 Cb 0.70 -0.92 0.00 0.00 -0.91 0.00 0.00 33.84 32.71 2rka n VAL 600 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2rka n ASN 601 N -2.82 0.00 0.15 4.52 4.13 -0.97 -1.40 115.26 118.88 2rka n ASN 601 Ca -0.21 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.17 2rka n ASN 601 Cb 0.74 0.00 0.54 0.00 -1.54 0.00 0.00 39.78 39.53 2rka n ASN 601 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rka n ALA 602 N 12.35 1.43 0.92 5.41 0.00 -1.26 -2.36 120.51 137.00 2rka n ALA 602 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.70 2rka n ALA 602 Cb 0.00 -1.37 0.24 0.00 0.00 0.00 0.00 19.45 18.32 2rka n ALA 602 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rka n ASP 603 N -2.29 2.70 -4.65 0.00 8.00 -0.49 -4.91 116.55 114.91 2rka n ASP 603 Ca 0.01 -1.88 -0.43 0.00 0.71 0.00 0.00 54.79 53.21 2rka n ASP 603 Cb 0.16 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.80 4.10 0.52 0.64 2.96 -1.00 -4.32 118.68 119.78 2rka s LEU 604 Ca 0.33 1.85 -0.22 0.00 -0.22 0.00 0.00 54.13 55.87 2rka s LEU 604 Cb 0.21 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 43.31 2rka s LEU 604 CO 0.31 -1.05 1.34 -2.84 -1.32 0.00 0.00 176.35 172.79 2rka s PRO 605 N 4.24 3.30 0.24 0.98 0.02 -1.26 -4.86 135.00 137.67 2rka s PRO 605 Ca 0.69 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.87 2rka s PRO 605 Cb -0.27 -2.34 0.46 0.00 0.02 0.00 0.00 34.50 32.37 2rka s PRO 605 CO 0.27 -1.05 1.71 -0.92 -0.33 0.00 0.00 177.00 176.68 2rka h TYR 606 N 1.67 0.41 0.00 6.54 3.20 -1.99 -1.00 116.97 125.79 2rka h TYR 606 Ca -0.51 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.36 2rka h TYR 606 Cb 1.29 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.49 2rka h TYR 606 CO 0.47 -0.01 -0.21 0.93 -1.64 0.00 0.00 178.16 177.71 2rka h GLU 607 N 0.36 0.00 -0.08 1.82 5.08 -1.98 0.14 114.58 119.92 2rka h GLU 607 Ca 0.41 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.63 2rka h GLU 607 Cb 0.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.92 2rka h GLU 607 CO -0.45 0.21 -0.50 0.82 -1.00 0.00 0.00 179.01 178.09 2rka h ILE 608 N 0.00 1.38 -0.73 3.13 1.08 -1.55 -1.11 117.51 119.70 2rka h ILE 608 Ca -0.00 -1.86 0.03 0.00 -0.39 0.00 0.00 64.86 62.63 2rka h ILE 608 Cb 0.38 2.28 -0.04 0.00 -3.07 0.00 0.00 36.82 36.37 2rka h ILE 608 CO 0.03 0.55 0.49 1.05 -0.69 0.00 0.00 178.15 179.57 2rka h GLU 609 N 0.05 0.90 -0.31 2.37 4.11 -1.08 -1.40 114.58 119.22 2rka h GLU 609 Ca -0.04 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 2rka h GLU 609 Cb 1.16 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2rka h GLU 609 CO 0.10 0.60 0.08 -0.09 0.07 0.00 0.00 179.01 179.77 2rka h ARG 610 N 0.93 0.49 -0.79 1.06 2.43 -0.63 -1.80 114.38 116.08 2rka h ARG 610 Ca 0.29 -0.11 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2rka h ARG 610 Cb -0.00 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.44 2rka h ARG 610 CO -0.08 0.55 0.40 0.93 -1.51 0.00 0.00 179.97 180.26 2rka h GLU 611 N 0.34 1.11 0.09 0.20 4.39 -0.87 0.01 114.58 119.85 2rka h GLU 611 Ca 0.10 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2rka h GLU 611 Cb 0.27 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2rka h GLU 611 CO -0.00 0.84 -0.04 1.25 -1.16 0.00 0.00 179.01 179.90 2rka h LEU 612 N 1.11 -0.10 -0.49 1.33 5.85 -1.11 -0.37 115.31 121.53 2rka h LEU 612 Ca 0.27 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.05 2rka h LEU 612 Cb 0.08 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 2rka h LEU 612 CO -0.04 -0.07 0.20 0.03 -0.34 0.00 0.00 178.44 178.23 2rka h ARG 613 N -0.13 0.39 -0.58 1.25 3.08 -1.06 -1.52 114.38 115.81 2rka h ARG 613 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2rka h ARG 613 Cb 0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 2rka h ARG 613 CO 0.02 0.26 0.37 0.00 -1.07 0.00 0.00 179.97 179.55 2rka h ALA 614 N 1.30 0.74 -0.17 0.04 0.00 -0.72 -1.32 119.26 119.12 2rka h ALA 614 Ca 0.22 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2rka h ALA 614 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2rka h ALA 614 CO -0.20 0.19 0.06 1.25 0.00 0.00 0.00 179.25 180.55 2rka h LEU 615 N 0.78 0.25 -0.85 0.00 5.85 -0.85 -1.16 115.31 119.34 2rka h LEU 615 Ca 0.21 -0.19 0.14 0.00 0.84 0.00 0.00 57.88 58.88 2rka h LEU 615 Cb -0.06 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 2rka h LEU 615 CO -0.04 0.37 0.44 0.11 -0.34 0.00 0.00 178.44 178.98 2rka h LYS 616 N 0.11 0.62 -0.20 1.25 1.57 -1.10 -0.97 116.57 117.84 2rka h LYS 616 Ca 0.06 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2rka h LYS 616 Cb 0.21 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2rka h LYS 616 CO -0.00 0.41 -0.20 0.37 -0.57 0.00 0.00 179.45 179.46 2rka h GLN 617 N 0.64 0.49 -0.60 3.15 5.75 -1.06 0.36 115.11 123.83 2rka h GLN 617 Ca 0.46 -0.26 0.02 0.00 -0.15 0.00 0.00 58.65 58.72 2rka h GLN 617 Cb 0.63 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 2rka h GLN 617 CO -0.35 0.83 0.39 0.00 -2.65 0.00 0.00 178.83 177.05 2rka h ARG 618 N 0.16 0.76 -0.54 1.69 3.08 -0.84 -2.50 114.38 116.18 2rka h ARG 618 Ca 0.03 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2rka h ARG 618 Cb 0.74 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2rka h ARG 618 CO 0.05 0.50 0.31 0.82 -1.07 0.00 0.00 179.97 180.58 2rka h ILE 619 N 0.78 1.18 -0.03 2.04 2.04 -1.11 -2.54 117.51 119.86 2rka h ILE 619 Ca 0.23 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.66 2rka h ILE 619 Cb -0.04 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2rka h ILE 619 CO -0.07 0.19 0.08 0.77 0.00 0.00 0.00 178.15 179.12 2rka h SER 620 N 0.73 0.00 0.12 1.72 4.64 -0.49 -2.26 113.55 118.00 2rka h SER 620 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2rka h SER 620 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2rka h SER 620 CO -0.03 0.00 -0.38 0.00 -0.87 0.00 0.00 176.83 175.55 2rka n GLN 621 N -3.33 0.99 0.00 4.77 1.13 -0.96 -5.09 117.38 114.89 2rka n GLN 621 Ca -0.02 -0.72 0.16 0.00 -1.94 0.00 0.00 57.00 54.48 2rka n GLN 621 Cb 0.16 -1.49 0.86 0.00 0.11 0.00 0.00 30.24 29.88 2rka n GLN 621 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62