#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pgr s GLU 6 N 0.00 1.94 0.29 2.61 0.41 -1.26 -5.05 118.70 117.64 2pgr s GLU 6 Ca 0.00 -1.87 0.04 0.00 -0.41 0.00 0.00 54.97 52.73 2pgr s GLU 6 Cb 0.00 -1.80 0.66 0.00 -1.78 0.00 0.00 34.13 31.22 2pgr s GLU 6 CO 0.00 0.12 1.78 -1.35 -0.49 0.00 0.00 175.26 175.33 2pgr h PRO 7 N 1.91 0.76 -5.14 0.39 0.11 -2.03 -3.39 132.00 124.61 2pgr h PRO 7 Ca -0.42 -0.05 -0.62 0.00 0.11 0.00 0.00 66.00 65.02 2pgr h PRO 7 Cb 1.25 -0.17 -0.15 0.00 0.11 0.00 0.00 31.00 32.04 2pgr h PRO 7 CO 0.70 0.50 -0.52 0.42 -0.21 0.00 0.00 178.00 178.88 2pgr s ILE 8 N -5.90 5.17 -0.82 4.15 1.01 -1.26 -5.04 121.20 118.51 2pgr s ILE 8 Ca -0.12 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 60.44 2pgr s ILE 8 Cb 0.24 -3.39 0.10 0.00 0.01 0.00 0.00 42.46 39.42 2pgr s ILE 8 CO 0.80 0.38 1.06 -0.62 0.00 0.00 0.00 174.94 176.56 2pgr s ASP 9 N 0.87 6.44 0.42 3.58 2.15 -1.26 -5.02 116.67 123.84 2pgr s ASP 9 Ca 0.07 -1.61 -0.26 0.00 0.43 0.00 0.00 52.55 51.18 2pgr s ASP 9 Cb -0.13 -2.41 -0.09 0.00 -0.30 0.00 0.00 42.92 40.00 2pgr s ASP 9 CO 0.03 -1.22 1.34 -0.36 -0.17 0.00 0.00 175.17 174.79 2pgr s PHE 10 N 3.26 2.71 0.25 -5.34 0.08 -1.26 -4.84 117.98 112.84 2pgr s PHE 10 Ca 0.28 1.36 -0.30 0.00 0.12 0.00 0.00 56.93 58.40 2pgr s PHE 10 Cb -0.10 -3.74 -0.10 0.00 -0.57 0.00 0.00 43.02 38.51 2pgr s PHE 10 CO -0.02 -2.35 1.35 -0.51 -0.10 0.00 0.00 175.22 173.59 2pgr s LEU 11 N -2.53 4.41 0.09 -0.37 1.43 0.18 -5.01 118.68 116.89 2pgr s LEU 11 Ca 0.58 2.56 0.01 0.00 -1.03 0.00 0.00 54.13 56.25 2pgr s LEU 11 Cb -0.40 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.16 2pgr s LEU 11 CO 0.51 -0.57 0.19 -0.54 0.23 0.00 0.00 176.35 176.17 2pgr s LYS 12 N -0.65 3.30 0.50 1.70 -0.14 -1.26 -4.66 119.74 118.52 2pgr s LYS 12 Ca 0.55 -0.55 0.25 0.00 -1.36 0.00 0.00 55.97 54.86 2pgr s LYS 12 Cb -0.39 -2.94 1.33 0.00 -1.68 0.00 0.00 37.83 34.15 2pgr s LYS 12 CO 0.44 0.58 1.94 0.87 -0.76 0.00 0.00 175.35 178.41 2pgr h LYS 13 N 2.89 0.11 -0.05 1.68 1.57 -1.96 -1.09 116.57 119.71 2pgr h LYS 13 Ca -0.46 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.17 2pgr h LYS 13 Cb 1.17 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2pgr h LYS 13 CO 0.72 0.07 -0.61 0.93 -0.57 0.00 0.00 179.45 179.99 2pgr h GLU 14 N 0.11 0.17 0.00 3.15 3.07 -1.99 -3.24 114.58 115.85 2pgr h GLU 14 Ca 0.34 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 2pgr h GLU 14 Cb 1.18 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2pgr h GLU 14 CO -0.04 0.72 -0.00 0.93 -1.40 0.00 0.00 179.01 179.22 2pgr h GLU 15 N 0.13 0.00 -0.58 2.33 5.08 -1.60 -3.37 114.58 116.56 2pgr h GLU 15 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pgr h GLU 15 Cb 1.10 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 2pgr h GLU 15 CO 0.09 0.00 0.37 -0.07 -1.00 0.00 0.00 179.01 178.40 2pgr h LEU 16 N 0.00 0.68 -1.49 1.33 3.38 -1.57 -2.20 115.31 115.43 2pgr h LEU 16 Ca 0.00 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 2pgr h LEU 16 Cb 0.83 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2pgr h LEU 16 CO 0.00 0.50 -0.21 0.07 0.09 0.00 0.00 178.44 178.90 2pgr h LYS 17 N 0.79 0.00 -0.00 1.13 2.10 -1.82 -2.81 116.57 115.96 2pgr h LYS 17 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.86 2pgr h LYS 17 Cb -0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 2pgr h LYS 17 CO -0.04 0.21 -0.12 0.09 -2.00 0.00 0.00 179.45 177.58 2pgr n ASN 18 N -3.60 0.16 -4.54 7.07 3.02 -0.83 -4.75 115.26 111.79 2pgr n ASN 18 Ca -0.01 0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.31 2pgr n ASN 18 Cb 0.34 -0.27 -0.09 0.00 -0.61 0.00 0.00 39.78 39.15 2pgr n ASN 18 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pgr s ILE 19 N -2.92 5.10 -0.62 2.41 1.01 -1.06 -5.03 121.20 120.09 2pgr s ILE 19 Ca 0.16 0.07 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 2pgr s ILE 19 Cb 0.19 -3.91 0.14 0.00 0.01 0.00 0.00 42.46 38.88 2pgr s ILE 19 CO 0.56 -0.20 0.62 -0.62 0.00 0.00 0.00 174.94 175.30 2pgr s ASP 20 N 1.76 6.31 0.47 3.58 -1.08 -1.26 -4.92 116.67 121.52 2pgr s ASP 20 Ca 0.14 -1.87 0.21 0.00 -0.52 0.00 0.00 52.55 50.52 2pgr s ASP 20 Cb -0.16 -2.24 1.16 0.00 -1.46 0.00 0.00 42.92 40.22 2pgr s ASP 20 CO 0.13 -0.88 1.98 -0.07 0.52 0.00 0.00 175.17 176.85 2pgr h LEU 21 N 9.03 0.00 -1.80 -1.34 3.38 -1.96 -2.86 115.31 119.76 2pgr h LEU 21 Ca -0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2pgr h LEU 21 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2pgr h LEU 21 CO 1.01 0.20 -0.15 0.77 0.09 0.00 0.00 178.44 180.35 2pgr h SER 22 N 0.00 0.00 0.00 -0.43 4.64 -2.05 -3.45 113.55 112.26 2pgr h SER 22 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pgr h SER 22 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2pgr h SER 22 CO 0.03 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.14 2pgr n GLN 23 N -3.97 0.64 -4.54 4.77 1.13 -1.08 -5.17 117.38 109.15 2pgr n GLN 23 Ca -0.02 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.77 2pgr n GLN 23 Cb 0.24 -1.01 -0.10 0.00 0.11 0.00 0.00 30.24 29.48 2pgr n GLN 23 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2pgr s SER 25 N -1.33 3.91 0.21 1.08 1.04 -1.26 -5.14 113.70 112.20 2pgr s SER 25 Ca 0.00 -1.28 -0.10 0.00 0.48 0.00 0.00 55.95 55.06 2pgr s SER 25 Cb 0.00 -0.40 0.23 0.00 0.10 0.00 0.00 66.02 65.94 2pgr s SER 25 CO 0.00 -0.38 1.81 0.50 0.98 0.00 0.00 173.24 176.15 2pgr h LYS 26 N 1.81 0.68 -0.47 4.02 3.64 -1.99 0.36 116.57 124.62 2pgr h LYS 26 Ca -0.43 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 58.96 2pgr h LYS 26 Cb 1.24 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.86 2pgr h LYS 26 CO 0.76 0.45 0.18 -0.22 -2.27 0.00 0.00 179.45 178.35 2pgr h LYS 27 N 0.70 0.35 0.00 1.90 3.64 -2.04 -1.39 116.57 119.72 2pgr h LYS 27 Ca 0.29 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.53 2pgr h LYS 27 Cb 0.16 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2pgr h LYS 27 CO -0.17 0.23 -0.56 0.93 -2.27 0.00 0.00 179.45 177.62 2pgr h GLU 28 N 0.36 0.00 -0.56 1.90 4.39 -1.85 -2.93 114.58 115.88 2pgr h GLU 28 Ca 0.22 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 2pgr h GLU 28 Cb 0.21 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 2pgr h GLU 28 CO -0.21 0.56 0.04 0.00 -1.16 0.00 0.00 179.01 178.23 2pgr h ARG 29 N 0.00 0.97 0.00 2.33 3.08 -0.49 -2.97 114.38 117.30 2pgr h ARG 29 Ca -0.01 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.72 2pgr h ARG 29 Cb 1.05 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 2pgr h ARG 29 CO 0.07 0.96 -0.16 1.88 -1.07 0.00 0.00 179.97 181.64 2pgr h TYR 30 N 0.86 0.00 -0.36 3.04 0.05 -1.09 0.15 116.97 119.62 2pgr h TYR 30 Ca 0.16 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.87 2pgr h TYR 30 Cb 0.49 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 2pgr h TYR 30 CO 0.04 0.16 -0.09 0.87 -1.05 0.00 0.00 178.16 178.09 2pgr h LYS 31 N 0.00 0.61 -0.12 4.88 1.57 -1.39 -1.85 116.57 120.28 2pgr h LYS 31 Ca -0.00 -0.18 -0.18 0.00 -1.87 0.00 0.00 60.65 58.42 2pgr h LYS 31 Cb 0.37 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.62 2pgr h LYS 31 CO 0.02 0.70 -0.63 0.82 -0.57 0.00 0.00 179.45 179.78 2pgr h ILE 32 N 0.57 1.33 -0.75 1.86 1.08 -0.96 -3.04 117.51 117.60 2pgr h ILE 32 Ca 0.11 -1.90 0.02 0.00 -0.39 0.00 0.00 64.86 62.70 2pgr h ILE 32 Cb 0.49 2.12 -0.04 0.00 -3.07 0.00 0.00 36.82 36.31 2pgr h ILE 32 CO 0.03 0.59 0.48 -0.50 -0.69 0.00 0.00 178.15 178.06 2pgr h TRP 33 N 0.30 0.91 -0.62 1.37 -0.00 -1.01 -1.56 115.95 115.34 2pgr h TRP 33 Ca -0.05 0.02 0.07 0.00 -0.00 0.00 0.00 58.89 58.94 2pgr h TRP 33 Cb 1.27 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.16 30.09 2pgr h TRP 33 CO 0.10 0.54 0.41 -0.22 -0.00 0.00 0.00 178.44 179.28 2pgr h LYS 34 N 0.96 0.55 -0.01 0.49 3.64 -1.37 -2.31 116.57 118.52 2pgr h LYS 34 Ca 0.29 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 2pgr h LYS 34 Cb -0.04 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 2pgr h LYS 34 CO -0.09 0.37 -0.09 0.54 -2.27 0.00 0.00 179.45 177.91 2pgr n ARG 35 N -4.48 1.07 -2.30 1.90 1.74 -0.61 -4.09 116.66 109.88 2pgr n ARG 35 Ca 0.09 -0.47 -0.42 0.00 -0.77 0.00 0.00 57.85 56.27 2pgr n ARG 35 Cb 0.27 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.19 2pgr n ARG 35 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2pgr s ILE 36 N -2.26 3.93 -0.69 0.55 1.01 -0.87 0.50 121.20 123.37 2pgr s ILE 36 Ca 0.34 1.27 -0.26 0.00 0.00 0.00 0.00 60.65 61.99 2pgr s ILE 36 Cb 0.20 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 2pgr s ILE 36 CO 0.42 -0.02 1.76 -2.16 0.00 0.00 0.00 174.94 174.94 2pgr s PRO 37 N 2.56 2.75 -0.00 2.79 0.04 -1.26 -4.72 135.00 137.16 2pgr s PRO 37 Ca 0.61 0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 2pgr s PRO 37 Cb -0.28 -4.48 -0.06 0.00 0.04 0.00 0.00 34.50 29.72 2pgr s PRO 37 CO 0.24 -2.70 0.48 0.15 0.04 0.00 0.00 177.00 175.21 2pgr s LYS 38 N 6.73 4.12 -0.32 4.56 1.02 -1.01 -4.85 119.74 129.99 2pgr s LYS 38 Ca 0.61 0.54 -0.04 0.00 0.02 0.00 0.00 55.97 57.10 2pgr s LYS 38 Cb -0.10 -3.28 0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2pgr s LYS 38 CO 0.16 0.54 0.06 0.00 -0.92 0.00 0.00 175.35 175.18 2pgr s GLU 40 N 1.32 3.65 -0.02 0.00 2.12 0.21 -4.81 118.70 121.17 2pgr s GLU 40 Ca -0.03 -0.52 0.14 0.00 0.36 0.00 0.00 54.97 54.92 2pgr s GLU 40 Cb -0.20 -3.01 -0.21 0.00 0.26 0.00 0.00 34.13 30.97 2pgr s GLU 40 CO 0.01 0.11 0.36 1.28 -0.54 0.00 0.00 175.26 176.48 2pgr n LEU 41 N 3.94 0.12 -3.62 2.70 4.77 -1.26 -1.10 117.00 122.54 2pgr n LEU 41 Ca -0.17 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 55.42 2pgr n LEU 41 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2pgr n LEU 41 CO 0.32 0.03 -0.27 -2.28 -1.33 0.00 0.00 177.39 173.86 2pgr s HIS 42 N -2.85 1.57 -0.12 -1.77 2.46 -1.26 -4.74 115.29 108.59 2pgr s HIS 42 Ca -0.03 -2.18 -0.05 0.00 0.47 0.00 0.00 55.06 53.27 2pgr s HIS 42 Cb 0.09 -1.56 0.06 0.00 -0.13 0.00 0.00 32.58 31.04 2pgr s HIS 42 CO 0.58 -0.80 0.26 0.00 -2.47 0.00 0.00 174.74 172.32 2pgr s HIS 44 N 1.92 2.62 0.23 0.00 3.76 -0.15 -1.57 115.29 122.09 2pgr s HIS 44 Ca -0.03 0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 54.91 2pgr s HIS 44 Cb -0.11 -4.37 0.33 0.00 1.11 0.00 0.00 32.58 29.54 2pgr s HIS 44 CO -0.09 -1.60 1.79 1.25 -0.85 0.00 0.00 174.74 175.24 2pgr h LEU 45 N 11.75 0.53 -0.37 0.89 6.46 -0.94 -0.55 115.31 133.09 2pgr h LEU 45 Ca -0.26 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 2pgr h LEU 45 Cb 1.06 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 2pgr h LEU 45 CO 1.17 0.31 0.00 -0.90 -0.62 0.00 0.00 178.44 178.40 2pgr n ASP 46 N -4.82 0.22 -1.18 1.25 5.68 -1.26 -1.74 116.55 114.70 2pgr n ASP 46 Ca 0.11 0.57 0.01 0.00 -0.50 0.00 0.00 54.79 54.99 2pgr n ASP 46 Cb 0.25 -0.61 0.12 0.00 -1.14 0.00 0.00 41.12 39.74 2pgr n ASP 46 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2pgr n LEU 47 N -1.77 2.49 -4.06 -2.12 4.77 -0.29 -5.00 117.00 111.03 2pgr n LEU 47 Ca 0.01 -3.46 -0.33 0.00 -0.03 0.00 0.00 56.01 52.20 2pgr n LEU 47 Cb 0.11 -0.30 -0.14 0.00 -2.33 0.00 0.00 43.42 40.76 2pgr n LEU 47 CO 0.10 1.24 -0.30 0.00 -1.33 0.00 0.00 177.39 177.10 2pgr s PHE 49 N 0.99 -0.27 0.48 0.00 -0.71 -1.26 -4.58 117.98 112.62 2pgr s PHE 49 Ca 0.08 -0.10 -0.03 0.00 -1.04 0.00 0.00 56.93 55.85 2pgr s PHE 49 Cb -0.20 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 2pgr s PHE 49 CO -0.06 -1.09 0.74 -1.54 -1.34 0.00 0.00 175.22 171.93 2pgr s SER 50 N -2.87 5.97 0.17 1.98 1.04 -1.26 -2.95 113.70 115.79 2pgr s SER 50 Ca 0.08 0.60 -0.14 0.00 0.48 0.00 0.00 55.95 56.97 2pgr s SER 50 Cb -0.04 -1.86 0.12 0.00 0.10 0.00 0.00 66.02 64.35 2pgr s SER 50 CO 0.00 -0.69 1.75 0.00 0.98 0.00 0.00 173.24 175.28 2pgr h ALA 51 N 0.27 0.52 -0.49 5.32 0.00 -1.92 -1.01 119.26 121.95 2pgr h ALA 51 Ca -0.47 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.51 2pgr h ALA 51 Cb 1.23 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 2pgr h ALA 51 CO 0.60 -0.24 0.31 -0.44 0.00 0.00 0.00 179.25 179.48 2pgr h ASP 52 N 0.31 0.52 -0.25 0.00 5.19 -1.99 -1.45 116.42 118.75 2pgr h ASP 52 Ca 0.21 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.61 2pgr h ASP 52 Cb 0.21 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 2pgr h ASP 52 CO -0.22 0.37 0.14 0.15 -3.12 0.00 0.00 179.24 176.56 2pgr h PHE 53 N 0.62 0.34 -0.08 4.55 3.57 -1.89 -1.89 116.94 122.17 2pgr h PHE 53 Ca 0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 2pgr h PHE 53 Cb -0.03 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 2pgr h PHE 53 CO -0.05 0.29 -0.03 0.35 -2.23 0.00 0.00 178.31 176.63 2pgr h PHE 54 N 0.29 -0.08 -0.67 0.41 3.57 -0.87 -2.21 116.94 117.39 2pgr h PHE 54 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 2pgr h PHE 54 Cb 0.06 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2pgr h PHE 54 CO -0.04 -0.06 0.34 0.28 -2.23 0.00 0.00 178.31 176.60 2pgr h VAL 55 N -0.03 1.21 -0.93 1.41 2.07 -1.24 -1.94 116.25 116.80 2pgr h VAL 55 Ca 0.04 -0.57 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2pgr h VAL 55 Cb 0.09 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 2pgr h VAL 55 CO -0.09 0.24 0.60 0.28 0.02 0.00 0.00 177.57 178.62 2pgr h SER 56 N 0.94 1.00 -0.52 0.57 0.02 -0.94 0.07 113.55 114.69 2pgr h SER 56 Ca 0.23 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 2pgr h SER 56 Cb 0.07 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 2pgr h SER 56 CO -0.03 0.68 0.16 0.00 -1.14 0.00 0.00 176.83 176.49 2pgr h ILE 58 N 0.71 1.24 -0.13 0.00 1.08 -0.70 -2.77 117.51 116.94 2pgr h ILE 58 Ca 0.17 -0.79 -0.21 0.00 -0.39 0.00 0.00 64.86 63.63 2pgr h ILE 58 Cb 0.28 0.45 0.01 0.00 -3.07 0.00 0.00 36.82 34.49 2pgr h ILE 58 CO -0.00 0.31 -0.75 0.03 -0.69 0.00 0.00 178.15 177.05 2pgr h ARG 59 N 1.00 0.75 -0.78 2.37 2.47 -0.89 -0.80 114.38 118.49 2pgr h ARG 59 Ca 0.23 -0.62 0.10 0.00 -1.26 0.00 0.00 59.98 58.42 2pgr h ARG 59 Cb 0.23 0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.61 2pgr h ARG 59 CO -0.02 1.23 0.42 -0.22 0.56 0.00 0.00 179.97 181.95 2pgr h LYS 60 N 0.46 0.68 -0.57 0.04 3.64 -0.73 -1.99 116.57 118.11 2pgr h LYS 60 Ca -0.06 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2pgr h LYS 60 Cb 1.39 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2pgr h LYS 60 CO 0.16 0.45 0.00 0.66 -2.27 0.00 0.00 179.45 178.45 2pgr n TYR 61 N -4.80 1.44 -3.99 1.91 4.01 -1.06 -4.98 117.16 109.69 2pgr n TYR 61 Ca 0.13 -0.66 -0.29 0.00 -0.16 0.00 0.00 57.90 56.92 2pgr n TYR 61 Cb 0.29 -0.28 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2pgr n TYR 61 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2pgr n ASN 62 N 0.79 -1.19 0.05 7.72 5.15 -0.75 -4.89 115.26 122.14 2pgr n ASN 62 Ca 0.25 -1.09 -0.17 0.00 -0.60 0.00 0.00 54.58 52.96 2pgr n ASN 62 Cb 0.91 -2.69 -0.14 0.00 -0.53 0.00 0.00 39.78 37.33 2pgr n ASN 62 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 2pgr h LEU 63 N -1.92 0.37 -5.94 1.20 3.38 -1.43 -3.41 115.31 107.57 2pgr h LEU 63 Ca -0.65 -0.57 -0.55 0.00 0.09 0.00 0.00 57.88 56.20 2pgr h LEU 63 Cb 1.38 -0.12 -0.40 0.00 0.09 0.00 0.00 40.66 41.61 2pgr h LEU 63 CO 0.61 1.49 -0.97 0.00 0.09 0.00 0.00 178.44 179.65 2pgr n GLN 64 N -3.42 1.48 0.27 1.13 1.13 -1.26 -4.95 117.38 111.76 2pgr n GLN 64 Ca -0.19 -3.77 0.13 0.00 -1.94 0.00 0.00 57.00 51.23 2pgr n GLN 64 Cb 1.05 -1.69 0.78 0.00 0.11 0.00 0.00 30.24 30.48 2pgr n GLN 64 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 2pgr h PRO 65 N 3.60 0.00 -0.32 -1.09 0.13 -1.92 -2.20 132.00 130.21 2pgr h PRO 65 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2pgr h PRO 65 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 2pgr h PRO 65 CO 0.59 0.08 0.00 0.09 -0.23 0.00 0.00 178.00 178.53 2pgr n ASN 66 N -3.78 2.10 -4.40 1.44 5.03 -1.26 -4.89 115.26 109.51 2pgr n ASN 66 Ca -0.02 -1.89 -0.30 0.00 0.87 0.00 0.00 54.58 53.23 2pgr n ASN 66 Cb 0.18 -0.21 -0.14 0.00 -1.02 0.00 0.00 39.78 38.59 2pgr n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2pgr s LEU 67 N -1.25 2.38 0.72 3.41 1.43 -0.83 -5.12 118.68 119.42 2pgr s LEU 67 Ca 0.30 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.76 2pgr s LEU 67 Cb 0.16 -1.39 0.03 0.00 0.03 0.00 0.00 46.19 45.02 2pgr s LEU 67 CO 0.23 0.25 1.11 -0.94 0.23 0.00 0.00 176.35 177.23 2pgr s SER 68 N -1.40 5.28 0.20 2.29 1.04 -1.26 -4.81 113.70 115.03 2pgr s SER 68 Ca 0.13 1.06 -0.14 0.00 0.48 0.00 0.00 55.95 57.48 2pgr s SER 68 Cb -0.10 -1.81 0.21 0.00 0.10 0.00 0.00 66.02 64.42 2pgr s SER 68 CO 0.04 -1.44 1.63 0.44 0.98 0.00 0.00 173.24 174.89 2pgr h ASP 69 N -0.72 -0.56 -0.52 7.02 5.19 -1.99 0.14 116.42 124.98 2pgr h ASP 69 Ca -0.45 0.18 -0.11 0.00 -0.62 0.00 0.00 57.03 56.02 2pgr h ASP 69 Cb 1.27 0.37 -0.02 0.00 0.18 0.00 0.00 39.33 41.13 2pgr h ASP 69 CO 0.64 -0.20 -0.12 -0.08 -3.12 0.00 0.00 179.24 176.36 2pgr h GLU 70 N -0.00 1.00 -0.71 3.56 4.57 -2.00 -2.24 114.58 118.76 2pgr h GLU 70 Ca 0.28 -0.38 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2pgr h GLU 70 Cb 0.44 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 2pgr h GLU 70 CO -0.61 1.06 0.31 0.93 -1.18 0.00 0.00 179.01 179.51 2pgr h GLU 71 N 0.86 1.02 -0.56 1.92 5.08 -1.76 -1.72 114.58 119.43 2pgr h GLU 71 Ca 0.13 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2pgr h GLU 71 Cb 0.69 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2pgr h GLU 71 CO 0.05 0.81 0.35 0.28 -1.00 0.00 0.00 179.01 179.50 2pgr h VAL 72 N 1.01 1.09 -0.43 3.13 2.07 -0.46 0.67 116.25 123.33 2pgr h VAL 72 Ca 0.24 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 2pgr h VAL 72 Cb 0.15 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2pgr h VAL 72 CO -0.03 0.13 0.17 -0.07 0.02 0.00 0.00 177.57 177.79 2pgr h LEU 73 N 0.69 0.60 -0.62 2.57 3.38 -1.03 -2.05 115.31 118.86 2pgr h LEU 73 Ca 0.22 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2pgr h LEU 73 Cb -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2pgr h LEU 73 CO -0.08 0.61 0.24 -0.78 0.09 0.00 0.00 178.44 178.52 2pgr h ASP 74 N 0.56 0.87 -0.50 -0.43 3.58 -1.12 -0.94 116.42 118.43 2pgr h ASP 74 Ca 0.14 -0.18 -0.07 0.00 0.42 0.00 0.00 57.03 57.35 2pgr h ASP 74 Cb 0.20 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 2pgr h ASP 74 CO -0.01 0.81 0.05 0.22 -2.88 0.00 0.00 179.24 177.42 2pgr h TYR 75 N 0.87 0.92 0.02 0.28 3.20 -0.69 -3.36 116.97 118.22 2pgr h TYR 75 Ca 0.21 -0.14 -0.36 0.00 3.14 0.00 0.00 58.73 61.57 2pgr h TYR 75 Cb 0.22 -0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.18 2pgr h TYR 75 CO 0.01 0.85 -2.25 0.66 -1.64 0.00 0.00 178.16 175.79 2pgr n TYR 76 N -4.37 0.36 -3.16 -3.82 4.01 -0.78 -5.05 117.16 104.35 2pgr n TYR 76 Ca 0.01 0.10 -0.06 0.00 -0.16 0.00 0.00 57.90 57.79 2pgr n TYR 76 Cb 0.28 -1.06 0.02 0.00 -0.31 0.00 0.00 39.34 38.27 2pgr n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pgr n LEU 77 N -3.09 0.00 -0.79 7.72 4.77 -0.36 -4.65 117.00 120.60 2pgr n LEU 77 Ca -0.35 -0.76 0.05 0.00 -0.03 0.00 0.00 56.01 54.92 2pgr n LEU 77 Cb 1.07 -0.10 0.09 0.00 -2.33 0.00 0.00 43.42 42.15 2pgr n LEU 77 CO 0.37 -0.51 0.27 0.33 -1.33 0.00 0.00 177.39 176.52 2pgr n PHE 78 N -1.25 0.00 0.07 -1.77 7.35 -1.26 -4.86 117.46 115.74 2pgr n PHE 78 Ca 0.04 -0.75 0.02 0.00 -0.76 0.00 0.00 57.45 56.00 2pgr n PHE 78 Cb 0.18 -0.16 0.38 0.00 0.35 0.00 0.00 39.48 40.23 2pgr n PHE 78 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2pgr h ALA 79 N 0.61 1.52 -0.01 3.13 0.00 -1.89 -0.32 119.26 122.30 2pgr h ALA 79 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2pgr h ALA 79 Cb 1.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2pgr h ALA 79 CO 0.03 0.35 -0.10 1.63 0.00 0.00 0.00 179.25 181.17 2pgr n LYS 80 N -4.32 1.13 0.00 0.00 5.02 -1.26 -4.98 118.16 113.75 2pgr n LYS 80 Ca 0.00 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.74 2pgr n LYS 80 Cb 0.22 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2pgr n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pgr n GLY 81 N 1.23 -2.17 0.00 0.72 0.00 -0.13 -5.06 105.19 99.77 2pgr n GLY 81 Ca 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2pgr n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pgr n GLY 82 N -0.16 2.12 0.08 -0.02 0.00 -0.47 -4.91 105.19 101.82 2pgr n GLY 82 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 2pgr n GLY 82 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pgr h LYS 83 N 0.00 0.05 -2.62 1.61 1.57 -1.85 -3.39 116.57 111.94 2pgr h LYS 83 Ca 0.00 -0.09 0.12 0.00 -1.87 0.00 0.00 60.65 58.82 2pgr h LYS 83 Cb 0.00 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2pgr h LYS 83 CO 0.00 0.88 0.40 -1.54 -0.57 0.00 0.00 179.45 178.62 2pgr s SER 84 N -6.59 -0.16 0.38 0.86 1.04 -1.23 -4.60 113.70 103.40 2pgr s SER 84 Ca -0.02 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 55.90 2pgr s SER 84 Cb 0.09 0.60 0.75 0.00 0.10 0.00 0.00 66.02 67.56 2pgr s SER 84 CO 0.83 -1.13 1.95 0.25 0.98 0.00 0.00 173.24 176.13 2pgr h LEU 85 N 2.00 0.40 -0.57 2.42 5.85 -1.96 -1.94 115.31 121.51 2pgr h LEU 85 Ca -0.24 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2pgr h LEU 85 Cb 1.24 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2pgr h LEU 85 CO 0.27 0.43 0.33 1.23 -0.34 0.00 0.00 178.44 180.36 2pgr h GLY 86 N 0.69 0.83 1.51 3.75 0.00 -1.95 -1.66 103.07 106.24 2pgr h GLY 86 Ca 0.10 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 2pgr h GLY 86 CO 0.00 0.35 -0.42 -2.09 0.00 0.00 0.00 176.54 174.38 2pgr h GLU 87 N 0.76 0.54 -0.83 4.80 4.81 -1.91 -2.65 114.58 120.11 2pgr h GLU 87 Ca 0.20 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2pgr h GLU 87 Cb 0.01 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2pgr h GLU 87 CO -0.04 0.86 0.54 0.35 -0.73 0.00 0.00 179.01 179.99 2pgr h PHE 88 N 0.44 1.02 -0.25 0.92 3.57 -1.13 -2.69 116.94 118.82 2pgr h PHE 88 Ca 0.04 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.41 2pgr h PHE 88 Cb 0.91 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 2pgr h PHE 88 CO 0.04 0.62 -0.41 0.28 -2.23 0.00 0.00 178.31 176.60 2pgr h VAL 89 N 1.08 1.30 -0.19 1.41 2.07 -1.12 -1.06 116.25 119.75 2pgr h VAL 89 Ca 0.32 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.21 2pgr h VAL 89 Cb -0.07 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2pgr h VAL 89 CO -0.09 0.51 0.06 -0.33 0.02 0.00 0.00 177.57 177.74 2pgr h GLU 90 N 0.46 0.26 0.04 1.57 4.39 -1.45 -0.30 114.58 119.54 2pgr h GLU 90 Ca 0.02 -0.03 -0.23 0.00 0.34 0.00 0.00 59.36 59.46 2pgr h GLU 90 Cb 1.01 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.61 2pgr h GLU 90 CO 0.09 0.24 -1.02 -0.22 -1.16 0.00 0.00 179.01 176.94 2pgr h LYS 91 N 0.26 0.26 -0.78 2.33 3.64 -1.25 -2.89 116.57 118.15 2pgr h LYS 91 Ca 0.07 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.05 2pgr h LYS 91 Cb 0.09 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2pgr h LYS 91 CO -0.00 1.08 0.29 0.00 -2.27 0.00 0.00 179.45 178.55 2pgr h ALA 92 N 0.78 1.03 -1.00 5.00 0.00 -0.60 -2.16 119.26 122.32 2pgr h ALA 92 Ca -0.08 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.69 2pgr h ALA 92 Cb 1.69 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2pgr h ALA 92 CO 0.16 0.67 0.64 0.82 0.00 0.00 0.00 179.25 181.54 2pgr h ILE 93 N 1.14 1.07 -0.44 0.00 2.04 -1.02 -2.10 117.51 118.20 2pgr h ILE 93 Ca 0.26 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2pgr h ILE 93 Cb 0.25 -0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2pgr h ILE 93 CO -0.02 0.21 0.16 0.11 0.00 0.00 0.00 178.15 178.62 2pgr h LYS 94 N 1.16 0.68 -0.23 2.37 1.57 -1.25 -2.94 116.57 117.92 2pgr h LYS 94 Ca 0.43 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 59.15 2pgr h LYS 94 Cb 0.19 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2pgr h LYS 94 CO -0.18 0.63 0.18 0.28 -0.57 0.00 0.00 179.45 179.79 2pgr h VAL 95 N 0.58 0.80 0.00 0.50 2.07 -0.76 -1.27 116.25 118.17 2pgr h VAL 95 Ca 0.15 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.67 2pgr h VAL 95 Cb 0.22 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2pgr h VAL 95 CO -0.01 0.00 0.03 0.00 0.02 0.00 0.00 177.57 177.62 2pgr n ALA 96 N -2.54 0.94 -0.37 1.67 0.00 -0.99 -1.77 120.51 117.46 2pgr n ALA 96 Ca 0.03 0.03 0.35 0.00 0.00 0.00 0.00 53.44 53.85 2pgr n ALA 96 Cb 0.32 -0.99 0.72 0.00 0.00 0.00 0.00 19.45 19.50 2pgr n ALA 96 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2pgr h ASP 97 N 0.00 0.08 1.19 0.00 3.32 -1.41 -1.99 116.42 117.60 2pgr h ASP 97 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2pgr h ASP 97 Cb 0.07 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2pgr h ASP 97 CO 0.00 0.00 -0.05 2.30 -1.72 0.00 0.00 179.24 179.78 2pgr n ILE 98 N -4.25 0.28 -1.19 0.35 -5.35 -0.73 -4.27 119.36 104.19 2pgr n ILE 98 Ca 0.28 -0.14 -0.25 0.00 -0.27 0.00 0.00 62.75 62.37 2pgr n ILE 98 Cb 1.28 -0.49 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 2pgr n ILE 98 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2pgr n PHE 99 N -1.86 1.18 0.09 4.28 3.72 -0.75 -4.57 117.46 119.56 2pgr n PHE 99 Ca 0.06 -2.24 -0.06 0.00 -0.05 0.00 0.00 57.45 55.17 2pgr n PHE 99 Cb 0.38 -1.97 0.05 0.00 -0.94 0.00 0.00 39.48 37.01 2pgr n PHE 99 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2pgr h HIS 100 N 3.89 0.21 -2.94 1.38 2.76 -1.83 -3.41 115.15 115.20 2pgr h HIS 100 Ca 0.51 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.58 2pgr h HIS 100 Cb 0.92 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 2pgr h HIS 100 CO 1.81 0.85 0.31 0.16 -1.30 0.00 0.00 177.93 179.76 2pgr s ASP 101 N -6.88 -0.01 0.34 3.26 1.47 -1.26 -4.98 116.67 108.61 2pgr s ASP 101 Ca -0.02 -1.07 0.24 0.00 1.18 0.00 0.00 52.55 52.88 2pgr s ASP 101 Cb 0.11 0.80 0.51 0.00 -0.34 0.00 0.00 42.92 44.01 2pgr s ASP 101 CO 0.81 -1.59 1.66 1.88 0.68 0.00 0.00 175.17 178.60 2pgr h TYR 102 N 2.00 0.00 -0.18 2.11 0.05 -1.94 -3.21 116.97 115.80 2pgr h TYR 102 Ca -0.31 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.37 2pgr h TYR 102 Cb 1.25 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.98 2pgr h TYR 102 CO 1.33 0.00 -0.27 1.49 -1.05 0.00 0.00 178.16 179.66 2pgr h GLU 103 N 0.00 0.51 -0.02 4.88 4.81 -1.98 -2.52 114.58 120.25 2pgr h GLU 103 Ca 0.00 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 2pgr h GLU 103 Cb 0.90 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 2pgr h GLU 103 CO 0.00 0.89 -0.41 -0.24 -0.73 0.00 0.00 179.01 178.52 2pgr h VAL 104 N 0.16 1.30 -0.26 0.32 3.04 -1.92 -1.94 116.25 116.94 2pgr h VAL 104 Ca 0.02 -1.44 -0.13 0.00 -1.01 0.00 0.00 66.70 64.14 2pgr h VAL 104 Cb 0.84 1.75 -0.00 0.00 -2.01 0.00 0.00 31.29 31.87 2pgr h VAL 104 CO 0.06 0.42 -0.35 0.40 -1.01 0.00 0.00 177.57 177.09 2pgr h ILE 105 N 0.04 1.31 -0.31 3.17 2.04 -1.55 0.17 117.51 122.37 2pgr h ILE 105 Ca 0.00 -1.54 -0.00 0.00 1.00 0.00 0.00 64.86 64.32 2pgr h ILE 105 Cb 0.75 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2pgr h ILE 105 CO 0.06 0.49 0.18 -0.08 0.00 0.00 0.00 178.15 178.80 2pgr h GLU 106 N 0.42 0.42 -0.60 2.37 4.81 -1.32 -1.41 114.58 119.27 2pgr h GLU 106 Ca 0.03 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2pgr h GLU 106 Cb 0.93 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 2pgr h GLU 106 CO 0.08 0.33 0.10 0.22 -0.73 0.00 0.00 179.01 179.01 2pgr h ASP 107 N 0.39 0.92 -0.13 1.04 3.58 -1.30 -0.34 116.42 120.58 2pgr h ASP 107 Ca 0.11 -0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.39 2pgr h ASP 107 Cb 0.02 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 40.80 2pgr h ASP 107 CO -0.02 0.92 -0.06 0.25 -2.88 0.00 0.00 179.24 177.45 2pgr h LEU 108 N 0.91 -0.20 -0.73 2.28 5.85 -0.78 -1.45 115.31 121.19 2pgr h LEU 108 Ca 0.19 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 2pgr h LEU 108 Cb 0.39 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2pgr h LEU 108 CO 0.01 -0.08 0.43 0.00 -0.34 0.00 0.00 178.44 178.45 2pgr h ALA 109 N 1.07 0.93 0.26 1.25 0.00 -0.81 -0.71 119.26 121.26 2pgr h ALA 109 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2pgr h ALA 109 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2pgr h ALA 109 CO -0.16 0.42 -0.14 0.87 0.00 0.00 0.00 179.25 180.24 2pgr h LYS 110 N 1.00 -0.36 -0.17 0.00 1.57 -0.85 -1.89 116.57 115.86 2pgr h LYS 110 Ca 0.26 0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 2pgr h LYS 110 Cb -0.01 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2pgr h LYS 110 CO -0.05 -0.24 -0.22 0.45 -0.57 0.00 0.00 179.45 178.82 2pgr h HIS 111 N -0.37 0.33 -0.18 -1.35 3.86 -1.18 -1.71 115.15 114.56 2pgr h HIS 111 Ca -0.03 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2pgr h HIS 111 Cb 0.29 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 2pgr h HIS 111 CO -0.07 0.51 0.06 0.00 0.86 0.00 0.00 177.93 179.29 2pgr h ALA 112 N 1.50 0.24 -0.51 2.45 0.00 -0.92 -1.69 119.26 120.33 2pgr h ALA 112 Ca 0.05 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2pgr h ALA 112 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2pgr h ALA 112 CO 0.04 -0.15 0.13 0.28 0.00 0.00 0.00 179.25 179.55 2pgr h VAL 113 N 0.12 1.24 -0.62 0.00 2.07 -1.23 -2.81 116.25 115.02 2pgr h VAL 113 Ca 0.06 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 2pgr h VAL 113 Cb 0.21 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2pgr h VAL 113 CO -0.00 0.30 0.09 0.15 0.02 0.00 0.00 177.57 178.13 2pgr h PHE 114 N 0.70 1.09 -0.55 1.57 3.57 -1.21 -2.00 116.94 120.11 2pgr h PHE 114 Ca 0.16 -0.15 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 2pgr h PHE 114 Cb 0.32 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2pgr h PHE 114 CO 0.02 0.94 -0.02 -0.91 -2.23 0.00 0.00 178.31 176.11 2pgr h ASN 115 N 0.93 0.94 -0.75 0.41 2.35 -1.32 -0.98 115.58 117.17 2pgr h ASN 115 Ca 0.19 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2pgr h ASN 115 Cb 0.44 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.52 2pgr h ASN 115 CO 0.01 1.01 0.48 0.11 -1.65 0.00 0.00 177.43 177.40 2pgr h LYS 116 N 0.88 1.00 -0.14 0.81 1.79 -1.28 -0.51 116.57 119.12 2pgr h LYS 116 Ca 0.16 -0.07 0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2pgr h LYS 116 Cb 0.55 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2pgr h LYS 116 CO 0.03 0.68 -0.04 -0.92 -1.08 0.00 0.00 179.45 178.13 2pgr h TYR 117 N 1.02 -0.08 -0.44 -1.35 3.20 -1.01 -1.22 116.97 117.08 2pgr h TYR 117 Ca 0.27 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.18 2pgr h TYR 117 Cb -0.08 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2pgr h TYR 117 CO -0.02 -0.06 0.30 0.87 -1.64 0.00 0.00 178.16 177.61 2pgr h LYS 118 N -0.00 0.51 0.00 1.82 1.57 -0.81 -2.16 116.57 117.49 2pgr h LYS 118 Ca 0.07 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2pgr h LYS 118 Cb 0.11 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2pgr h LYS 118 CO -0.15 0.33 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 2pgr n GLU 119 N -4.48 0.05 -0.81 3.15 1.02 -0.23 -4.92 120.64 114.41 2pgr n GLU 119 Ca 0.04 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2pgr n GLU 119 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 2pgr n GLU 119 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pgr n GLY 120 N 1.31 1.12 3.72 0.62 0.00 -0.81 -4.43 105.19 106.70 2pgr n GLY 120 Ca 0.07 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 2pgr n GLY 120 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pgr s VAL 121 N -2.00 5.01 -0.09 1.61 1.01 -0.50 -2.42 120.40 123.02 2pgr s VAL 121 Ca 0.00 1.57 0.13 0.00 0.00 0.00 0.00 61.98 63.68 2pgr s VAL 121 Cb 0.00 -4.10 -0.19 0.00 0.00 0.00 0.00 36.38 32.09 2pgr s VAL 121 CO 0.00 0.23 0.16 1.33 0.00 0.00 0.00 175.10 176.83 2pgr n VAL 122 N 3.79 0.54 -4.39 2.92 0.24 -0.22 -4.45 118.33 116.76 2pgr n VAL 122 Ca 0.00 -0.48 -0.19 0.00 -2.04 0.00 0.00 64.34 61.63 2pgr n VAL 122 Cb 0.51 -0.30 -0.10 0.00 -1.47 0.00 0.00 33.84 32.48 2pgr n VAL 122 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2pgr s LEU 123 N -4.59 2.17 -0.30 1.34 0.20 -1.08 -1.71 118.68 114.72 2pgr s LEU 123 Ca -0.06 -1.30 -0.04 0.00 0.69 0.00 0.00 54.13 53.42 2pgr s LEU 123 Cb 0.06 -0.34 0.19 0.00 -0.43 0.00 0.00 46.19 45.68 2pgr s LEU 123 CO 0.58 -0.55 0.81 -1.61 -0.29 0.00 0.00 176.35 175.29 2pgr s GLU 125 N -3.88 0.37 0.44 1.98 2.02 -0.26 -0.62 118.70 118.75 2pgr s GLU 125 Ca 0.33 0.46 -0.09 0.00 0.02 0.00 0.00 54.97 55.69 2pgr s GLU 125 Cb 0.07 0.23 -0.06 0.00 0.10 0.00 0.00 34.13 34.47 2pgr s GLU 125 CO 0.13 -0.59 0.79 -0.06 0.02 0.00 0.00 175.26 175.54 2pgr s PHE 126 N 2.90 3.50 0.03 1.61 0.08 0.06 -4.01 117.98 122.15 2pgr s PHE 126 Ca 0.15 1.01 0.01 0.00 0.12 0.00 0.00 56.93 58.22 2pgr s PHE 126 Cb -0.08 -2.43 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 2pgr s PHE 126 CO -0.22 -0.19 -0.05 -0.98 -0.10 0.00 0.00 175.22 173.68 2pgr s ARG 127 N -4.16 0.40 0.06 0.44 1.70 -0.61 -4.09 118.95 112.70 2pgr s ARG 127 Ca 0.51 -0.60 -0.11 0.00 -0.47 0.00 0.00 55.73 55.06 2pgr s ARG 127 Cb -0.10 -0.13 0.01 0.00 -0.57 0.00 0.00 34.95 34.15 2pgr s ARG 127 CO 0.36 0.01 0.23 1.52 -1.08 0.00 0.00 175.30 176.34 2pgr s TYR 128 N -1.21 0.04 -0.38 5.89 1.13 -1.26 -0.23 117.35 121.33 2pgr s TYR 128 Ca -0.11 -0.32 -0.12 0.00 -1.41 0.00 0.00 57.07 55.12 2pgr s TYR 128 Cb -0.09 0.01 0.02 0.00 -1.10 0.00 0.00 41.96 40.80 2pgr s TYR 128 CO -0.00 -0.50 0.22 0.45 -2.51 0.00 0.00 175.55 173.21 2pgr s SER 129 N -2.40 5.81 0.19 -0.18 0.15 -1.26 -0.94 113.70 115.08 2pgr s SER 129 Ca -0.01 -0.93 -0.13 0.00 0.70 0.00 0.00 55.95 55.58 2pgr s SER 129 Cb 0.01 -2.06 0.20 0.00 -1.71 0.00 0.00 66.02 62.47 2pgr s SER 129 CO -0.07 -0.38 1.70 -0.65 1.20 0.00 0.00 173.24 175.04 2pgr h PRO 130 N 8.47 0.18 -0.40 5.44 0.11 -1.98 -2.20 132.00 141.63 2pgr h PRO 130 Ca -0.26 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.74 2pgr h PRO 130 Cb 1.11 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2pgr h PRO 130 CO 0.68 0.12 -0.16 1.79 -0.21 0.00 0.00 178.00 180.22 2pgr h THR 131 N 0.19 1.26 -0.76 -1.15 1.35 -1.89 -1.73 112.91 110.18 2pgr h THR 131 Ca 0.25 -1.22 -0.02 0.00 -0.55 0.00 0.00 66.41 64.87 2pgr h THR 131 Cb 0.36 1.13 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 2pgr h THR 131 CO -0.36 0.41 0.38 0.15 -0.25 0.00 0.00 175.52 175.85 2pgr h PHE 132 N 0.66 1.08 -0.04 4.73 3.57 -1.82 -2.43 116.94 122.70 2pgr h PHE 132 Ca 0.10 -0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.40 2pgr h PHE 132 Cb 0.63 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2pgr h PHE 132 CO 0.03 0.78 -0.70 0.28 -2.23 0.00 0.00 178.31 176.47 2pgr h VAL 133 N 1.07 1.43 0.00 1.41 2.07 -1.21 -3.35 116.25 117.67 2pgr h VAL 133 Ca 0.26 -2.23 -0.20 0.00 0.82 0.00 0.00 66.70 65.36 2pgr h VAL 133 Cb 0.09 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2pgr h VAL 133 CO -0.04 0.65 -0.96 0.00 0.02 0.00 0.00 177.57 177.25 2pgr h ALA 134 N 1.14 0.42 -0.29 1.67 0.00 -1.03 -3.40 119.26 117.76 2pgr h ALA 134 Ca -0.02 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 53.88 2pgr h ALA 134 Cb 1.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2pgr h ALA 134 CO 0.11 1.19 -0.39 0.27 0.00 0.00 0.00 179.25 180.43 2pgr h PHE 135 N 0.00 0.81 -0.29 0.00 -0.00 -1.58 0.64 116.94 116.52 2pgr h PHE 135 Ca -0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 57.97 57.71 2pgr h PHE 135 Cb 1.69 -0.17 -0.01 0.00 -0.00 0.00 0.00 35.95 37.45 2pgr h PHE 135 CO 0.00 0.97 0.13 -0.22 -0.00 0.00 0.00 178.31 179.19 2pgr h LYS 136 N 0.56 0.42 -0.19 6.09 1.63 -1.82 -3.05 116.57 120.22 2pgr h LYS 136 Ca 0.05 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2pgr h LYS 136 Cb 0.92 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2pgr h LYS 136 CO 0.08 0.42 0.00 0.66 -3.45 0.00 0.00 179.45 177.16 2pgr n TYR 137 N -4.77 0.57 -3.65 1.91 4.01 -1.25 -5.00 117.16 108.98 2pgr n TYR 137 Ca -0.02 -0.84 -0.21 0.00 -0.16 0.00 0.00 57.90 56.67 2pgr n TYR 137 Cb 0.12 -0.22 0.04 0.00 -0.31 0.00 0.00 39.34 38.97 2pgr n TYR 137 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2pgr n ASN 138 N -0.62 -1.61 -4.90 7.72 5.15 -0.43 -4.97 115.26 115.60 2pgr n ASN 138 Ca 0.17 -0.80 -0.29 0.00 -0.60 0.00 0.00 54.58 53.06 2pgr n ASN 138 Cb 0.72 -4.19 0.06 0.00 -0.53 0.00 0.00 39.78 35.84 2pgr n ASN 138 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2pgr s LEU 139 N -6.58 2.79 -0.28 1.20 1.43 0.08 -5.02 118.68 112.30 2pgr s LEU 139 Ca 0.04 0.93 -0.19 0.00 -1.03 0.00 0.00 54.13 53.88 2pgr s LEU 139 Cb -0.01 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 2pgr s LEU 139 CO 0.80 -1.53 0.56 -0.62 0.23 0.00 0.00 176.35 175.79 2pgr s ASP 140 N -4.44 6.46 0.50 2.29 -1.08 -1.26 -4.83 116.67 114.31 2pgr s ASP 140 Ca 0.59 0.48 0.17 0.00 -0.52 0.00 0.00 52.55 53.27 2pgr s ASP 140 Cb -0.11 -2.30 1.21 0.00 -1.46 0.00 0.00 42.92 40.26 2pgr s ASP 140 CO 0.50 -0.37 2.09 0.16 0.52 0.00 0.00 175.17 178.07 2pgr h ILE 141 N 5.46 1.00 -0.73 4.11 3.07 -1.96 0.56 117.51 129.01 2pgr h ILE 141 Ca -0.28 -0.28 -0.04 0.00 1.55 0.00 0.00 64.86 65.81 2pgr h ILE 141 Cb 1.13 1.15 -0.03 0.00 -0.27 0.00 0.00 36.82 38.80 2pgr h ILE 141 CO 0.75 0.08 0.29 -0.33 -1.05 0.00 0.00 178.15 177.89 2pgr h GLU 142 N 0.00 1.09 0.02 0.16 4.39 -1.99 -1.98 114.58 116.28 2pgr h GLU 142 Ca -0.00 -0.20 -0.21 0.00 0.34 0.00 0.00 59.36 59.29 2pgr h GLU 142 Cb 0.15 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2pgr h GLU 142 CO 0.01 0.90 -0.95 -0.07 -1.16 0.00 0.00 179.01 177.74 2pgr h LEU 143 N 1.05 0.12 -0.05 1.33 3.38 -1.46 -2.37 115.31 117.32 2pgr h LEU 143 Ca 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2pgr h LEU 143 Cb 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2pgr h LEU 143 CO -0.02 1.00 0.03 0.40 0.09 0.00 0.00 178.44 179.94 2pgr h ILE 144 N 0.04 1.04 -0.71 1.22 2.04 -0.93 -1.75 117.51 118.45 2pgr h ILE 144 Ca -0.03 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2pgr h ILE 144 Cb 1.64 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 2pgr h ILE 144 CO 0.13 0.03 0.39 -0.74 0.00 0.00 0.00 178.15 177.97 2pgr h HIS 145 N 0.03 0.97 -0.41 1.37 2.76 -1.37 -1.43 115.15 117.08 2pgr h HIS 145 Ca 0.02 -0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.21 2pgr h HIS 145 Cb 0.03 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 28.63 2pgr h HIS 145 CO -0.06 0.69 0.17 0.37 -1.30 0.00 0.00 177.93 177.79 2pgr h GLN 146 N 0.98 0.34 -0.54 5.26 4.15 -1.35 0.25 115.11 124.20 2pgr h GLN 146 Ca 0.25 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 2pgr h GLN 146 Cb 0.03 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2pgr h GLN 146 CO -0.04 0.23 0.22 0.00 -1.93 0.00 0.00 178.83 177.31 2pgr h ALA 147 N 1.25 0.70 -0.01 3.38 0.00 -0.90 -1.04 119.26 122.63 2pgr h ALA 147 Ca 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2pgr h ALA 147 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2pgr h ALA 147 CO -0.16 0.30 0.00 0.82 0.00 0.00 0.00 179.25 180.21 2pgr h ILE 148 N 0.73 1.21 -0.90 0.00 2.04 -1.03 -1.39 117.51 118.17 2pgr h ILE 148 Ca 0.18 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.41 2pgr h ILE 148 Cb 0.19 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 2pgr h ILE 148 CO -0.02 0.16 0.54 0.58 0.00 0.00 0.00 178.15 179.42 2pgr h VAL 149 N -0.24 1.25 -0.19 1.67 2.07 -0.90 -1.71 116.25 118.19 2pgr h VAL 149 Ca 0.00 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2pgr h VAL 149 Cb 0.27 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 2pgr h VAL 149 CO 0.00 0.26 0.04 0.50 0.02 0.00 0.00 177.57 178.39 2pgr h LYS 150 N 1.23 0.31 -0.57 1.57 3.64 -1.14 -1.61 116.57 120.00 2pgr h LYS 150 Ca 0.32 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2pgr h LYS 150 Cb -0.05 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2pgr h LYS 150 CO -0.06 0.45 0.37 0.78 -2.27 0.00 0.00 179.45 178.72 2pgr h GLY 151 N 0.11 0.80 0.93 5.01 0.00 -1.00 -1.24 103.07 107.69 2pgr h GLY 151 Ca 0.06 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 2pgr h GLY 151 CO 0.00 0.28 0.06 -2.22 0.00 0.00 0.00 176.54 174.67 2pgr h ILE 152 N 0.76 1.09 -0.34 2.60 2.04 -1.31 -2.92 117.51 119.44 2pgr h ILE 152 Ca 0.21 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2pgr h ILE 152 Cb -0.08 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 2pgr h ILE 152 CO -0.05 0.08 0.20 0.50 0.00 0.00 0.00 178.15 178.88 2pgr h LYS 153 N 0.09 0.39 -0.88 2.37 3.64 -1.08 -0.38 116.57 120.73 2pgr h LYS 153 Ca 0.04 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2pgr h LYS 153 Cb 0.07 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2pgr h LYS 153 CO -0.01 0.26 0.58 0.93 -2.27 0.00 0.00 179.45 178.95 2pgr h GLU 154 N 0.41 1.16 -0.00 1.90 5.08 -1.23 0.11 114.58 122.00 2pgr h GLU 154 Ca 0.13 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 2pgr h GLU 154 Cb -0.00 -0.26 0.02 0.00 0.50 0.00 0.00 28.75 29.01 2pgr h GLU 154 CO -0.06 0.77 -0.97 0.28 -1.00 0.00 0.00 179.01 178.02 2pgr h VAL 155 N 1.19 1.30 -0.95 3.13 2.07 -1.32 -1.89 116.25 119.79 2pgr h VAL 155 Ca 0.32 -2.22 0.01 0.00 0.82 0.00 0.00 66.70 65.64 2pgr h VAL 155 Cb -0.13 2.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2pgr h VAL 155 CO -0.07 0.68 0.63 0.58 0.02 0.00 0.00 177.57 179.40 2pgr h VAL 156 N 0.31 1.23 -0.35 2.57 2.07 -0.90 -0.57 116.25 120.62 2pgr h VAL 156 Ca -0.12 -0.44 -0.12 0.00 0.82 0.00 0.00 66.70 66.85 2pgr h VAL 156 Cb 1.63 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2pgr h VAL 156 CO 0.19 0.23 -0.23 -0.33 0.02 0.00 0.00 177.57 177.45 2pgr h GLU 157 N 1.27 0.78 -0.93 1.57 5.08 -0.99 -0.55 114.58 120.80 2pgr h GLU 157 Ca 0.35 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2pgr h GLU 157 Cb -0.12 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.06 2pgr h GLU 157 CO -0.08 0.99 0.60 1.25 -1.00 0.00 0.00 179.01 180.77 2pgr h LEU 158 N 0.56 0.93 -0.74 1.33 5.85 -1.05 -2.25 115.31 119.93 2pgr h LEU 158 Ca 0.07 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2pgr h LEU 158 Cb 0.80 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2pgr h LEU 158 CO 0.06 0.59 0.00 0.18 -0.34 0.00 0.00 178.44 178.93 2pgr n LEU 159 N -4.50 1.09 -3.45 2.25 4.32 -0.25 -4.91 117.00 111.55 2pgr n LEU 159 Ca 0.14 -0.52 -0.25 0.00 -0.02 0.00 0.00 56.01 55.37 2pgr n LEU 159 Cb 0.21 -0.11 0.03 0.00 -1.62 0.00 0.00 43.42 41.93 2pgr n LEU 159 CO 0.32 0.26 0.05 0.47 -1.22 0.00 0.00 177.39 177.27 2pgr n ASP 160 N 0.03 -5.09 -2.83 -1.43 8.00 -0.85 -2.16 116.55 112.23 2pgr n ASP 160 Ca 0.10 -0.49 -0.20 0.00 0.71 0.00 0.00 54.79 54.91 2pgr n ASP 160 Cb 0.20 -4.10 0.01 0.00 -0.02 0.00 0.00 41.12 37.20 2pgr n ASP 160 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2pgr n HIS 161 N -4.46 -1.61 0.59 1.24 8.25 -0.25 -4.86 115.22 114.12 2pgr n HIS 161 Ca -0.02 0.29 0.13 0.00 -0.26 0.00 0.00 57.72 57.86 2pgr n HIS 161 Cb 0.56 -3.78 0.41 0.00 1.12 0.00 0.00 29.99 28.29 2pgr n HIS 161 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2pgr n LYS 162 N -3.52 0.27 -5.25 -0.41 4.76 -0.92 -4.52 118.16 108.58 2pgr n LYS 162 Ca -0.13 0.25 -0.31 0.00 -2.87 0.00 0.00 58.31 55.24 2pgr n LYS 162 Cb 0.62 -1.83 -0.16 0.00 -1.84 0.00 0.00 35.03 31.82 2pgr n LYS 162 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2pgr s ILE 163 N -3.13 2.01 -0.21 -0.18 2.07 -1.26 -4.80 121.20 115.70 2pgr s ILE 163 Ca 0.10 -1.05 -0.07 0.00 -1.41 0.00 0.00 60.65 58.22 2pgr s ILE 163 Cb 0.12 -1.69 -0.03 0.00 0.13 0.00 0.00 42.46 40.98 2pgr s ILE 163 CO 0.58 0.56 0.05 -1.00 -1.91 0.00 0.00 174.94 173.22 2pgr s HIS 164 N -0.25 3.12 -0.09 3.50 3.76 -0.69 -4.94 115.29 119.70 2pgr s HIS 164 Ca -0.01 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 54.68 2pgr s HIS 164 Cb -0.13 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.42 2pgr s HIS 164 CO 0.03 -0.16 -0.22 0.08 -0.85 0.00 0.00 174.74 173.61 2pgr s VAL 165 N 1.05 1.92 0.27 -0.90 1.01 -1.26 -4.28 120.40 118.21 2pgr s VAL 165 Ca 0.03 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.14 2pgr s VAL 165 Cb -0.14 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.52 2pgr s VAL 165 CO 0.03 0.53 -0.08 0.00 0.00 0.00 0.00 175.10 175.58 2pgr s ALA 166 N 0.32 2.34 0.11 5.51 0.00 -1.26 -5.01 121.76 123.77 2pgr s ALA 166 Ca -0.16 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 49.92 2pgr s ALA 166 Cb -0.17 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.07 2pgr s ALA 166 CO 0.08 -0.03 0.00 1.28 0.00 0.00 0.00 175.76 177.09 2pgr n LEU 167 N -0.56 0.00 -3.79 0.00 4.77 -1.26 -0.76 117.00 115.40 2pgr n LEU 167 Ca -0.06 -0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 55.11 2pgr n LEU 167 Cb 0.63 0.09 -0.14 0.00 -2.33 0.00 0.00 43.42 41.67 2pgr n LEU 167 CO 0.39 -0.10 -0.23 0.00 -1.33 0.00 0.00 177.39 176.12 2pgr s ILE 170 N 0.56 3.77 0.18 0.00 1.01 -0.12 -0.97 121.20 125.64 2pgr s ILE 170 Ca -0.04 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 59.91 2pgr s ILE 170 Cb -0.06 -2.80 -0.08 0.00 0.01 0.00 0.00 42.46 39.53 2pgr s ILE 170 CO -0.03 0.30 0.74 -0.83 0.00 0.00 0.00 174.94 175.13 2pgr s GLY 171 N 1.52 2.78 0.19 6.18 0.00 -0.21 -4.18 107.32 113.59 2pgr s GLY 171 Ca 0.05 0.26 -0.04 0.00 0.00 0.00 0.00 44.72 44.99 2pgr s GLY 171 CO 0.00 0.70 0.20 0.51 0.00 0.00 0.00 173.10 174.52 2pgr s ASP 172 N -1.35 0.12 -0.00 1.64 1.47 -1.26 -1.94 116.67 115.34 2pgr s ASP 172 Ca 0.38 -1.19 0.04 0.00 1.18 0.00 0.00 52.55 52.97 2pgr s ASP 172 Cb -0.20 0.41 -0.01 0.00 -0.34 0.00 0.00 42.92 42.78 2pgr s ASP 172 CO 0.23 -0.88 -0.14 -0.89 0.68 0.00 0.00 175.17 174.17 2pgr s THR 173 N -4.08 1.09 0.00 2.11 2.01 -0.83 -4.32 115.64 111.63 2pgr s THR 173 Ca 0.30 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2pgr s THR 173 Cb 0.05 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2pgr s THR 173 CO 0.08 0.26 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 2pgr n GLY 174 N 2.60 1.31 3.21 4.40 0.00 -1.26 -1.61 105.19 113.84 2pgr n GLY 174 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 2pgr n GLY 174 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2pgr s HIS 175 N -2.00 1.07 0.35 1.61 -3.43 -1.26 -4.91 115.29 106.73 2pgr s HIS 175 Ca 0.00 -0.98 -0.28 0.00 -0.80 0.00 0.00 55.06 53.00 2pgr s HIS 175 Cb 0.00 -0.61 -0.12 0.00 -1.43 0.00 0.00 32.58 30.42 2pgr s HIS 175 CO 0.00 -0.19 1.39 -1.91 -2.00 0.00 0.00 174.74 172.03 2pgr n GLU 176 N -0.16 2.40 -2.73 -0.38 2.13 -1.26 -2.71 120.64 117.93 2pgr n GLU 176 Ca -0.09 0.84 -0.22 0.00 0.66 0.00 0.00 57.16 58.36 2pgr n GLU 176 Cb 0.62 -2.50 0.01 0.00 0.27 0.00 0.00 31.44 29.85 2pgr n GLU 176 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pgr n ALA 177 N 0.47 -0.81 -1.76 4.31 0.00 -1.26 -4.79 120.51 116.68 2pgr n ALA 177 Ca 0.03 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.31 2pgr n ALA 177 Cb 0.37 -3.13 -0.06 0.00 0.00 0.00 0.00 19.45 16.64 2pgr n ALA 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2pgr s ALA 178 N -3.12 3.32 -0.29 0.00 0.00 -1.10 -4.86 121.76 115.71 2pgr s ALA 178 Ca 0.16 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.75 2pgr s ALA 178 Cb -0.07 -3.20 0.19 0.00 0.00 0.00 0.00 23.12 20.03 2pgr s ALA 178 CO 0.20 0.21 0.56 1.21 0.00 0.00 0.00 175.76 177.94 2pgr s ASN 179 N -1.24 -1.20 0.02 0.00 3.84 -1.26 -5.05 114.94 110.05 2pgr s ASN 179 Ca 0.42 0.45 -0.22 0.00 0.21 0.00 0.00 52.86 53.72 2pgr s ASN 179 Cb -0.25 1.94 -0.17 0.00 -0.55 0.00 0.00 41.25 42.23 2pgr s ASN 179 CO 0.31 -0.29 1.31 0.40 -2.79 0.00 0.00 177.10 176.04 2pgr h ILE 180 N 6.03 1.37 -0.20 -5.21 2.04 -1.96 -1.22 117.51 118.36 2pgr h ILE 180 Ca -0.13 -1.29 0.05 0.00 1.00 0.00 0.00 64.86 64.49 2pgr h ILE 180 Cb 1.17 2.00 -0.06 0.00 -0.74 0.00 0.00 36.82 39.20 2pgr h ILE 180 CO 0.22 0.37 -0.16 0.50 0.00 0.00 0.00 178.15 179.08 2pgr h LYS 181 N -0.17 -0.16 -0.68 2.37 1.63 -1.98 0.68 116.57 118.25 2pgr h LYS 181 Ca 0.01 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 2pgr h LYS 181 Cb 0.64 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.27 2pgr h LYS 181 CO 0.03 -0.11 0.29 0.00 -3.45 0.00 0.00 179.45 176.21 2pgr h ALA 182 N 0.94 1.24 -0.57 5.00 0.00 -1.98 -0.70 119.26 123.20 2pgr h ALA 182 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2pgr h ALA 182 Cb 0.34 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2pgr h ALA 182 CO -0.30 0.57 0.14 0.77 0.00 0.00 0.00 179.25 180.43 2pgr h SER 183 N 0.97 0.86 -0.28 0.00 0.02 -0.70 -0.22 113.55 114.20 2pgr h SER 183 Ca 0.23 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pgr h SER 183 Cb 0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 2pgr h SER 183 CO -0.02 0.87 0.16 0.00 -1.14 0.00 0.00 176.83 176.69 2pgr h ALA 184 N 1.03 0.36 -0.69 3.77 0.00 -0.49 -0.36 119.26 122.87 2pgr h ALA 184 Ca 0.18 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2pgr h ALA 184 Cb 0.34 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2pgr h ALA 184 CO 0.00 -0.12 0.44 -0.44 0.00 0.00 0.00 179.25 179.13 2pgr h ASP 185 N 0.34 0.73 -0.66 0.00 3.32 -0.93 -1.90 116.42 117.32 2pgr h ASP 185 Ca 0.10 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 2pgr h ASP 185 Cb 0.05 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 2pgr h ASP 185 CO -0.02 0.51 0.15 0.15 -1.72 0.00 0.00 179.24 178.31 2pgr h PHE 186 N 0.87 1.11 -0.43 4.55 3.57 -0.84 -0.84 116.94 124.93 2pgr h PHE 186 Ca 0.27 -0.14 0.03 0.00 3.53 0.00 0.00 57.97 61.66 2pgr h PHE 186 Cb -0.01 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 2pgr h PHE 186 CO -0.04 0.92 0.23 0.00 -2.23 0.00 0.00 178.31 177.19 2pgr h LEU 188 N 0.47 0.69 -1.37 0.00 3.38 -1.15 -1.00 115.31 116.32 2pgr h LEU 188 Ca 0.18 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.79 2pgr h LEU 188 Cb 0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2pgr h LEU 188 CO -0.10 1.20 0.50 0.50 0.09 0.00 0.00 178.44 180.63 2pgr h LYS 189 N 0.40 0.70 -0.74 1.13 3.64 -1.03 -2.46 116.57 118.22 2pgr h LYS 189 Ca -0.03 -0.04 -0.51 0.00 -1.27 0.00 0.00 60.65 58.79 2pgr h LYS 189 Cb 1.32 -0.16 -0.32 0.00 -0.41 0.00 0.00 32.23 32.66 2pgr h LYS 189 CO 0.14 0.46 -0.16 0.72 -2.27 0.00 0.00 179.45 178.34 2pgr n HIS 190 N -4.49 2.54 0.01 1.91 8.25 -0.66 -4.77 115.22 118.01 2pgr n HIS 190 Ca 0.12 -2.33 0.19 0.00 -0.26 0.00 0.00 57.72 55.44 2pgr n HIS 190 Cb 0.30 -0.70 0.68 0.00 1.12 0.00 0.00 29.99 31.38 2pgr n HIS 190 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2pgr h LYS 191 N 1.87 0.02 0.00 -0.41 3.64 -0.69 -0.56 116.57 120.45 2pgr h LYS 191 Ca 0.41 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.76 2pgr h LYS 191 Cb 1.36 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2pgr h LYS 191 CO 0.93 0.02 -0.16 0.00 -2.27 0.00 0.00 179.45 177.97 2pgr h ALA 192 N 1.75 1.62 0.00 5.00 0.00 -1.86 -3.10 119.26 122.67 2pgr h ALA 192 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2pgr h ALA 192 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2pgr h ALA 192 CO -0.01 0.20 -1.88 -0.25 0.00 0.00 0.00 179.25 177.31 2pgr n ASP 193 N -4.18 0.16 -4.58 0.00 8.00 -0.27 -4.94 116.55 110.73 2pgr n ASP 193 Ca -0.02 0.06 -0.34 0.00 0.71 0.00 0.00 54.79 55.20 2pgr n ASP 193 Cb 0.23 1.60 -0.11 0.00 -0.02 0.00 0.00 41.12 42.82 2pgr n ASP 193 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pgr s PHE 194 N -3.36 3.15 -1.01 1.24 0.08 -0.87 -4.03 117.98 113.18 2pgr s PHE 194 Ca -0.07 -0.07 0.20 0.00 0.12 0.00 0.00 56.93 57.11 2pgr s PHE 194 Cb 0.12 -2.00 -0.20 0.00 -0.57 0.00 0.00 43.02 40.37 2pgr s PHE 194 CO 0.88 0.11 0.86 1.33 -0.10 0.00 0.00 175.22 178.30 2pgr n VAL 195 N 3.39 0.00 -3.75 -0.44 0.24 0.59 -4.77 118.33 113.60 2pgr n VAL 195 Ca -0.17 -0.05 -0.06 0.00 -2.04 0.00 0.00 64.34 62.02 2pgr n VAL 195 Cb 0.52 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.90 2pgr n VAL 195 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2pgr s GLY 196 N -2.83 -0.23 -0.01 7.63 0.00 -1.25 -4.12 107.32 106.51 2pgr s GLY 196 Ca 0.08 0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.91 2pgr s GLY 196 CO 0.79 0.01 -0.15 -0.12 0.00 0.00 0.00 173.10 173.63 2pgr s PHE 197 N -3.56 1.38 0.08 1.90 5.36 -0.69 -1.36 117.98 121.08 2pgr s PHE 197 Ca 0.10 -0.26 0.02 0.00 -0.96 0.00 0.00 56.93 55.83 2pgr s PHE 197 Cb -0.03 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.73 2pgr s PHE 197 CO 0.02 -0.02 -0.07 0.34 -1.46 0.00 0.00 175.22 174.03 2pgr s ASP 198 N -0.40 1.05 -0.09 6.13 2.15 -0.15 -1.73 116.67 123.63 2pgr s ASP 198 Ca 0.06 -0.81 0.04 0.00 0.43 0.00 0.00 52.55 52.26 2pgr s ASP 198 Cb -0.06 0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.63 2pgr s ASP 198 CO -0.00 -0.35 -0.21 -2.28 -0.17 0.00 0.00 175.17 172.15 2pgr s HIS 199 N -2.66 2.30 0.00 -5.34 5.65 -1.25 -1.04 115.29 112.95 2pgr s HIS 199 Ca 0.03 -0.94 0.00 0.00 0.25 0.00 0.00 55.06 54.40 2pgr s HIS 199 Cb -0.01 -1.56 0.00 0.00 -1.18 0.00 0.00 32.58 29.82 2pgr s HIS 199 CO -0.02 -0.39 0.00 0.41 -0.65 0.00 0.00 174.74 174.08 2pgr n GLY 200 N 3.62 5.78 7.00 1.59 0.00 -0.82 -1.45 105.19 120.91 2pgr n GLY 200 Ca -0.20 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2pgr n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pgr n GLY 201 N 1.22 0.47 3.72 -0.02 0.00 -1.26 -1.96 105.19 107.36 2pgr n GLY 201 Ca 0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 2pgr n GLY 201 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pgr n HIS 202 N 11.48 2.58 -2.59 1.61 8.25 -0.64 -4.91 115.22 131.00 2pgr n HIS 202 Ca 0.00 0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 57.36 2pgr n HIS 202 Cb 0.00 -2.54 -0.02 0.00 1.12 0.00 0.00 29.99 28.55 2pgr n HIS 202 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2pgr s GLU 203 N -0.53 3.88 0.27 -0.41 2.12 -1.26 -4.66 118.70 118.10 2pgr s GLU 203 Ca 0.65 0.86 0.10 0.00 0.36 0.00 0.00 54.97 56.95 2pgr s GLU 203 Cb -0.56 -3.84 -0.05 0.00 0.26 0.00 0.00 34.13 29.94 2pgr s GLU 203 CO 0.49 -1.17 -0.16 0.14 -0.54 0.00 0.00 175.26 174.02 2pgr s VAL 204 N 4.17 2.19 -0.39 3.70 -7.23 -1.26 -5.08 120.40 116.50 2pgr s VAL 204 Ca 0.48 -2.32 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 2pgr s VAL 204 Cb -0.10 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.57 2pgr s VAL 204 CO 0.24 -0.43 1.50 -0.62 -0.31 0.00 0.00 175.10 175.48 2pgr s ASP 205 N -3.46 6.24 0.00 4.85 -1.08 -1.26 -4.87 116.67 117.08 2pgr s ASP 205 Ca 0.28 0.93 0.24 0.00 -0.52 0.00 0.00 52.55 53.48 2pgr s ASP 205 Cb -0.02 -2.54 1.24 0.00 -1.46 0.00 0.00 42.92 40.14 2pgr s ASP 205 CO 0.13 -1.49 1.82 0.18 0.52 0.00 0.00 175.17 176.32 2pgr n LEU 206 N 9.14 0.49 -0.32 -1.34 4.77 -1.26 -3.50 117.00 124.97 2pgr n LEU 206 Ca 0.18 -0.19 0.20 0.00 -0.03 0.00 0.00 56.01 56.17 2pgr n LEU 206 Cb 0.48 -0.02 0.47 0.00 -2.33 0.00 0.00 43.42 42.02 2pgr n LEU 206 CO 0.70 0.09 1.21 0.50 -1.33 0.00 0.00 177.39 178.56 2pgr h LYS 207 N 0.69 0.46 0.00 3.23 3.64 -1.89 -1.27 116.57 121.42 2pgr h LYS 207 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2pgr h LYS 207 Cb 0.15 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2pgr h LYS 207 CO 0.00 0.30 0.00 1.05 -2.27 0.00 0.00 179.45 178.53 2pgr h GLU 208 N 0.47 0.00 -0.47 1.90 4.11 -1.99 -2.60 114.58 116.01 2pgr h GLU 208 Ca 0.58 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.82 2pgr h GLU 208 Cb 1.34 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.47 2pgr h GLU 208 CO -0.31 0.00 0.08 0.66 0.07 0.00 0.00 179.01 179.52 2pgr n TYR 209 N -2.38 1.49 -0.26 2.06 4.01 -0.48 -4.80 117.16 116.80 2pgr n TYR 209 Ca 0.02 -1.43 0.06 0.00 -0.16 0.00 0.00 57.90 56.39 2pgr n TYR 209 Cb 0.24 -0.54 0.18 0.00 -0.31 0.00 0.00 39.34 38.91 2pgr n TYR 209 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2pgr h LYS 210 N 1.36 0.18 -0.58 -0.72 3.64 -1.49 -1.43 116.57 117.53 2pgr h LYS 210 Ca 0.24 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 2pgr h LYS 210 Cb 1.86 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.61 2pgr h LYS 210 CO 0.49 0.12 0.30 1.49 -2.27 0.00 0.00 179.45 179.58 2pgr h GLU 211 N 0.19 0.82 -0.42 1.90 4.81 -1.87 0.68 114.58 120.69 2pgr h GLU 211 Ca 0.43 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 2pgr h GLU 211 Cb 0.76 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 2pgr h GLU 211 CO -0.59 0.65 0.18 0.82 -0.73 0.00 0.00 179.01 179.34 2pgr h ILE 212 N 0.79 1.19 -0.18 2.32 2.04 -1.66 -1.98 117.51 120.03 2pgr h ILE 212 Ca 0.20 -0.56 -0.20 0.00 1.00 0.00 0.00 64.86 65.31 2pgr h ILE 212 Cb 0.08 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2pgr h ILE 212 CO -0.03 0.21 -0.67 -0.26 0.00 0.00 0.00 178.15 177.40 2pgr h PHE 213 N 0.53 0.91 -0.39 1.37 0.04 -1.26 -2.08 116.94 116.07 2pgr h PHE 213 Ca 0.14 -0.37 0.07 0.00 2.80 0.00 0.00 57.97 60.61 2pgr h PHE 213 Cb 0.15 -0.15 -0.06 0.00 2.20 0.00 0.00 35.95 38.09 2pgr h PHE 213 CO -0.01 1.17 0.01 -0.44 -0.60 0.00 0.00 178.31 178.45 2pgr h ASP 214 N 0.50 -0.13 -0.49 2.17 3.32 -0.82 0.51 116.42 121.48 2pgr h ASP 214 Ca -0.02 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2pgr h ASP 214 Cb 1.27 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.95 2pgr h ASP 214 CO 0.13 -0.03 0.30 0.22 -1.72 0.00 0.00 179.24 178.15 2pgr h TYR 215 N 0.12 0.63 0.04 4.55 3.20 -1.21 0.21 116.97 124.51 2pgr h TYR 215 Ca 0.19 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 2pgr h TYR 215 Cb 0.27 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2pgr h TYR 215 CO -0.25 0.43 -0.02 0.28 -1.64 0.00 0.00 178.16 176.96 2pgr h VAL 216 N 0.65 1.19 -0.19 1.81 2.07 -1.17 -2.59 116.25 118.03 2pgr h VAL 216 Ca 0.18 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2pgr h VAL 216 Cb -0.03 1.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2pgr h VAL 216 CO -0.03 0.19 0.10 -0.09 0.02 0.00 0.00 177.57 177.76 2pgr h ARG 217 N -0.38 0.21 0.00 1.57 2.43 -0.76 -2.46 114.38 114.98 2pgr h ARG 217 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2pgr h ARG 217 Cb 0.35 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2pgr h ARG 217 CO 0.01 0.14 0.00 0.93 -1.51 0.00 0.00 179.97 179.54 2pgr h GLU 218 N 0.21 0.00 -0.00 0.20 5.08 -0.65 -1.33 114.58 118.09 2pgr h GLU 218 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2pgr h GLU 218 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2pgr h GLU 218 CO -0.04 0.00 -0.02 0.43 -1.00 0.00 0.00 179.01 178.38 2pgr n SER 219 N -2.68 0.20 0.00 1.42 7.64 -0.95 -4.90 113.62 114.35 2pgr n SER 219 Ca 0.01 -0.71 0.00 0.00 1.01 0.00 0.00 58.87 59.18 2pgr n SER 219 Cb 0.24 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2pgr n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pgr n GLY 220 N 1.15 0.97 3.28 0.23 0.00 -0.50 -5.07 105.19 105.24 2pgr n GLY 220 Ca 0.19 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2pgr n GLY 220 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pgr s VAL 221 N -2.00 4.09 0.81 1.61 1.01 -1.09 -5.04 120.40 119.78 2pgr s VAL 221 Ca 0.00 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.59 2pgr s VAL 221 Cb 0.00 -3.43 0.08 0.00 0.00 0.00 0.00 36.38 33.04 2pgr s VAL 221 CO 0.00 -0.37 1.13 -2.16 0.00 0.00 0.00 175.10 173.70 2pgr s PRO 222 N 1.42 1.81 -0.10 2.72 0.04 -1.26 -3.54 135.00 136.09 2pgr s PRO 222 Ca 0.02 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 62.47 2pgr s PRO 222 Cb -0.21 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2pgr s PRO 222 CO 0.03 -2.02 -0.07 -0.51 0.04 0.00 0.00 177.00 174.47 2pgr s LEU 223 N -5.98 3.14 -0.15 -3.56 1.43 -1.26 -1.71 118.68 110.58 2pgr s LEU 223 Ca 0.66 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.63 2pgr s LEU 223 Cb -0.21 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.35 2pgr s LEU 223 CO 0.54 0.28 0.07 -0.55 0.23 0.00 0.00 176.35 176.92 2pgr s SER 224 N -0.31 2.24 0.17 2.29 0.15 -0.70 -1.71 113.70 115.83 2pgr s SER 224 Ca 0.04 -0.53 0.11 0.00 0.70 0.00 0.00 55.95 56.27 2pgr s SER 224 Cb -0.13 -0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 2pgr s SER 224 CO 0.02 -0.32 -0.21 0.68 1.20 0.00 0.00 173.24 174.61 2pgr s VAL 225 N 2.08 2.54 -0.14 4.45 -7.23 -1.23 -3.99 120.40 116.87 2pgr s VAL 225 Ca 0.02 -1.86 -0.29 0.00 -1.81 0.00 0.00 61.98 58.03 2pgr s VAL 225 Cb -0.15 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2pgr s VAL 225 CO -0.08 -0.06 1.60 -1.00 -0.31 0.00 0.00 175.10 175.26 2pgr s HIS 226 N -1.51 2.11 -0.08 2.82 3.76 -0.53 -0.54 115.29 121.33 2pgr s HIS 226 Ca 0.20 0.43 -0.21 0.00 -0.15 0.00 0.00 55.06 55.34 2pgr s HIS 226 Cb -0.09 -3.89 0.05 0.00 1.11 0.00 0.00 32.58 29.75 2pgr s HIS 226 CO 0.10 -3.24 0.48 0.00 -0.85 0.00 0.00 174.74 171.23 2pgr s ALA 227 N 4.51 -1.23 -0.86 -1.40 0.00 -0.91 -4.85 121.76 117.02 2pgr s ALA 227 Ca 0.71 0.95 -0.01 0.00 0.00 0.00 0.00 51.96 53.62 2pgr s ALA 227 Cb -0.29 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.63 2pgr s ALA 227 CO 0.28 -0.29 0.07 0.41 0.00 0.00 0.00 175.76 176.23 2pgr n GLY 228 N 1.58 -0.03 0.16 0.00 0.00 -1.26 -1.04 105.19 104.62 2pgr n GLY 228 Ca -0.18 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 2pgr n GLY 228 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2pgr n GLU 229 N -2.08 0.52 -2.35 1.61 2.13 -1.26 -1.33 120.64 117.87 2pgr n GLU 229 Ca -0.11 0.22 -0.43 0.00 0.66 0.00 0.00 57.16 57.50 2pgr n GLU 229 Cb 0.59 -1.40 -0.02 0.00 0.27 0.00 0.00 31.44 30.87 2pgr n GLU 229 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2pgr s ASP 230 N -6.55 6.46 0.00 4.31 -1.08 -1.26 -4.80 116.67 113.74 2pgr s ASP 230 Ca -0.31 1.04 0.26 0.00 -0.52 0.00 0.00 52.55 53.01 2pgr s ASP 230 Cb 0.08 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.18 2pgr s ASP 230 CO 0.43 -1.29 1.84 1.33 0.52 0.00 0.00 175.17 178.00 2pgr n VAL 231 N 6.70 0.21 0.77 1.11 0.24 -1.26 -3.23 118.33 122.87 2pgr n VAL 231 Ca 0.16 0.05 0.13 0.00 -2.04 0.00 0.00 64.34 62.65 2pgr n VAL 231 Cb 0.47 -0.62 0.50 0.00 -1.47 0.00 0.00 33.84 32.72 2pgr n VAL 231 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2pgr n THR 232 N -1.42 0.37 -2.34 3.34 -2.24 -1.26 -4.83 114.28 105.89 2pgr n THR 232 Ca 0.08 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.34 2pgr n THR 232 Cb 0.27 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.87 2pgr n THR 232 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2pgr s LEU 233 N -3.82 4.46 0.00 3.22 1.43 -1.20 -4.93 118.68 117.84 2pgr s LEU 233 Ca 0.12 2.41 0.24 0.00 -1.03 0.00 0.00 54.13 55.87 2pgr s LEU 233 Cb 0.15 -3.69 1.24 0.00 0.03 0.00 0.00 46.19 43.91 2pgr s LEU 233 CO 0.55 -0.34 1.81 -0.81 0.23 0.00 0.00 176.35 177.79 2pgr n PRO 234 N 0.91 0.35 -2.10 1.29 -0.04 -1.26 -4.87 135.00 129.28 2pgr n PRO 234 Ca -0.00 0.05 -0.04 0.00 -0.04 0.00 0.00 63.50 63.48 2pgr n PRO 234 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 2pgr n PRO 234 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2pgr n ASN 235 N -1.28 -0.71 -1.34 3.54 0.23 -1.26 -5.06 115.26 109.37 2pgr n ASN 235 Ca 0.12 -1.59 -0.06 0.00 -0.53 0.00 0.00 54.58 52.52 2pgr n ASN 235 Cb 0.19 1.22 0.21 0.00 -2.08 0.00 0.00 39.78 39.32 2pgr n ASN 235 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pgr n LEU 236 N 0.00 4.61 0.08 -4.53 4.77 -1.26 -4.74 117.00 115.93 2pgr n LEU 236 Ca -0.02 -3.64 0.05 0.00 -0.03 0.00 0.00 56.01 52.37 2pgr n LEU 236 Cb 0.21 -0.66 0.47 0.00 -2.33 0.00 0.00 43.42 41.11 2pgr n LEU 236 CO 0.10 1.14 1.10 0.78 -1.33 0.00 0.00 177.39 179.17 2pgr h ASN 237 N 1.17 0.32 -0.21 -1.43 2.35 -1.99 -2.11 115.58 113.67 2pgr h ASN 237 Ca 0.27 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 2pgr h ASN 237 Cb 1.86 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 40.14 2pgr h ASN 237 CO 0.50 0.26 0.01 0.71 -1.65 0.00 0.00 177.43 177.26 2pgr h THR 238 N 0.36 1.19 -0.08 2.81 1.35 -1.90 -1.06 112.91 115.58 2pgr h THR 238 Ca 0.10 -0.73 -0.13 0.00 -0.55 0.00 0.00 66.41 65.10 2pgr h THR 238 Cb 0.02 0.94 0.01 0.00 -1.73 0.00 0.00 68.15 67.39 2pgr h THR 238 CO -0.02 0.25 -0.44 -0.07 -0.25 0.00 0.00 175.52 174.99 2pgr h LEU 239 N 0.48 0.52 -0.79 3.87 3.38 -1.75 -0.96 115.31 120.06 2pgr h LEU 239 Ca 0.10 -0.66 0.02 0.00 0.09 0.00 0.00 57.88 57.44 2pgr h LEU 239 Cb 0.30 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2pgr h LEU 239 CO 0.01 1.10 0.51 1.88 0.09 0.00 0.00 178.44 182.02 2pgr h TYR 240 N -0.02 0.95 -0.20 1.13 0.05 -1.32 -1.08 116.97 116.49 2pgr h TYR 240 Ca -0.03 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 2pgr h TYR 240 Cb 1.10 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 2pgr h TYR 240 CO 0.12 0.56 -0.04 0.77 -1.05 0.00 0.00 178.16 178.53 2pgr h SER 241 N 1.00 0.39 -0.51 3.88 0.02 -1.22 0.13 113.55 117.25 2pgr h SER 241 Ca 0.31 -0.36 0.09 0.00 -0.84 0.00 0.00 61.79 60.99 2pgr h SER 241 Cb -0.03 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.33 2pgr h SER 241 CO -0.10 0.66 0.08 0.00 -1.14 0.00 0.00 176.83 176.33 2pgr h ALA 242 N 0.75 0.55 0.07 3.77 0.00 -0.96 0.08 119.26 123.52 2pgr h ALA 242 Ca 0.05 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2pgr h ALA 242 Cb 0.48 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2pgr h ALA 242 CO 0.02 -0.33 -0.03 0.82 0.00 0.00 0.00 179.25 179.73 2pgr h ILE 243 N 0.21 1.07 0.01 0.00 2.04 -1.12 -2.59 117.51 117.12 2pgr h ILE 243 Ca 0.26 -1.52 -0.26 0.00 1.00 0.00 0.00 64.86 64.34 2pgr h ILE 243 Cb 0.36 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 2pgr h ILE 243 CO -0.35 0.32 -1.45 1.56 0.00 0.00 0.00 178.15 178.23 2pgr h GLN 244 N -0.90 0.01 0.00 2.37 4.20 -0.76 -3.07 115.11 116.96 2pgr h GLN 244 Ca -0.01 -0.02 -0.45 0.00 0.06 0.00 0.00 58.65 58.23 2pgr h GLN 244 Cb 0.60 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.31 2pgr h GLN 244 CO 0.02 0.71 -2.51 0.28 -0.67 0.00 0.00 178.83 176.65 2pgr n VAL 245 N -3.18 1.52 0.30 -0.54 0.31 -0.16 -4.54 118.33 112.04 2pgr n VAL 245 Ca -0.11 -0.43 0.12 0.00 -0.01 0.00 0.00 64.34 63.92 2pgr n VAL 245 Cb 1.01 -1.77 0.20 0.00 -0.91 0.00 0.00 33.84 32.37 2pgr n VAL 245 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2pgr h LEU 246 N -0.76 0.00 -1.34 7.52 4.07 -1.06 -3.47 115.31 120.26 2pgr h LEU 246 Ca -0.67 -0.01 -0.42 0.00 0.08 0.00 0.00 57.88 56.87 2pgr h LEU 246 Cb 1.68 0.00 0.06 0.00 1.08 0.00 0.00 40.66 43.49 2pgr h LEU 246 CO -0.34 0.00 -0.77 0.29 -1.08 0.00 0.00 178.44 176.54 2pgr n LYS 247 N -2.89 -5.99 -2.18 1.13 4.76 -1.00 -4.90 118.16 107.10 2pgr n LYS 247 Ca 0.04 0.69 -0.36 0.00 -2.87 0.00 0.00 58.31 55.81 2pgr n LYS 247 Cb 0.51 -5.53 0.01 0.00 -1.84 0.00 0.00 35.03 28.18 2pgr n LYS 247 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2pgr s VAL 248 N -3.44 2.96 -0.17 -0.18 -7.23 -1.10 -4.80 120.40 106.44 2pgr s VAL 248 Ca 0.31 0.66 0.19 0.00 -1.81 0.00 0.00 61.98 61.33 2pgr s VAL 248 Cb -0.15 -3.30 -0.05 0.00 0.56 0.00 0.00 36.38 33.43 2pgr s VAL 248 CO 0.79 -0.07 1.00 -0.33 -0.31 0.00 0.00 175.10 176.18 2pgr h GLU 249 N 1.54 0.00 -3.92 4.82 5.08 -1.69 -3.48 114.58 116.94 2pgr h GLU 249 Ca -0.50 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.74 2pgr h GLU 249 Cb 1.26 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.35 2pgr h GLU 249 CO 0.58 0.22 -0.54 1.03 -1.00 0.00 0.00 179.01 179.30 2pgr s ARG 250 N -3.07 0.63 -0.09 2.33 0.52 -1.20 -3.27 118.95 114.80 2pgr s ARG 250 Ca -0.01 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.33 2pgr s ARG 250 Cb 0.09 0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.81 2pgr s ARG 250 CO 0.79 -0.16 -0.18 0.42 0.02 0.00 0.00 175.30 176.20 2pgr s ILE 251 N -3.13 1.61 -0.08 1.52 1.01 -0.52 -3.54 121.20 118.07 2pgr s ILE 251 Ca -0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 60.65 59.61 2pgr s ILE 251 Cb 0.02 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2pgr s ILE 251 CO -0.07 0.46 1.51 -0.83 0.00 0.00 0.00 174.94 176.01 2pgr s GLY 252 N 0.62 1.60 0.00 6.18 0.00 0.30 -0.51 107.32 115.51 2pgr s GLY 252 Ca -0.14 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2pgr s GLY 252 CO 0.04 2.83 0.00 1.42 0.00 0.00 0.00 173.10 177.39 2pgr n HIS 253 N 6.77 0.00 -1.64 1.90 8.25 0.01 -2.14 115.22 128.36 2pgr n HIS 253 Ca 0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.42 2pgr n HIS 253 Cb 0.43 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.46 2pgr n HIS 253 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pgr n GLY 254 N 0.00 1.73 0.24 -1.41 0.00 -0.20 -4.11 105.19 101.43 2pgr n GLY 254 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2pgr n GLY 254 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2pgr h ILE 255 N 0.00 0.51 0.00 -0.61 3.07 -1.60 -2.41 117.51 116.47 2pgr h ILE 255 Ca -0.42 -0.90 0.00 0.00 1.55 0.00 0.00 64.86 65.09 2pgr h ILE 255 Cb 1.31 1.62 0.00 0.00 -0.27 0.00 0.00 36.82 39.48 2pgr h ILE 255 CO 0.60 0.17 0.00 0.54 -1.05 0.00 0.00 178.15 178.41 2pgr n ARG 256 N -3.43 0.31 -0.13 0.16 1.74 -0.44 -2.78 116.66 112.09 2pgr n ARG 256 Ca -0.00 0.06 0.18 0.00 -0.77 0.00 0.00 57.85 57.31 2pgr n ARG 256 Cb 0.36 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 30.87 2pgr n ARG 256 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2pgr h VAL 257 N 0.00 0.76 -0.03 1.55 2.07 -1.69 -1.95 116.25 116.96 2pgr h VAL 257 Ca 0.00 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2pgr h VAL 257 Cb 0.26 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2pgr h VAL 257 CO 0.00 0.05 0.05 0.00 0.02 0.00 0.00 177.57 177.69 2pgr h ALA 258 N 1.66 1.34 0.00 1.67 0.00 -1.75 -1.82 119.26 120.36 2pgr h ALA 258 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2pgr h ALA 258 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2pgr h ALA 258 CO -0.09 -0.06 0.00 0.39 0.00 0.00 0.00 179.25 179.49 2pgr n GLU 259 N -3.47 0.56 -3.68 0.00 1.02 -0.73 -4.73 120.64 109.60 2pgr n GLU 259 Ca -0.02 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 2pgr n GLU 259 Cb 0.13 -1.50 -0.18 0.00 -0.02 0.00 0.00 31.44 29.87 2pgr n GLU 259 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2pgr s SER 260 N -2.44 1.17 0.33 1.62 0.15 -0.68 -5.01 113.70 108.83 2pgr s SER 260 Ca 0.33 0.06 0.03 0.00 0.70 0.00 0.00 55.95 57.07 2pgr s SER 260 Cb 0.21 -0.17 0.57 0.00 -1.71 0.00 0.00 66.02 64.91 2pgr s SER 260 CO 0.44 -0.24 1.87 -0.61 1.20 0.00 0.00 173.24 175.89 2pgr h GLN 261 N 8.40 0.58 -0.31 5.44 5.75 -1.85 -1.37 115.11 131.76 2pgr h GLN 261 Ca -0.14 -0.12 0.01 0.00 -0.15 0.00 0.00 58.65 58.25 2pgr h GLN 261 Cb 1.12 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 2pgr h GLN 261 CO 0.17 0.59 0.20 1.49 -2.65 0.00 0.00 178.83 178.63 2pgr h GLU 262 N 0.56 0.40 -0.53 1.69 4.81 -1.95 0.20 114.58 119.76 2pgr h GLU 262 Ca 0.12 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2pgr h GLU 262 Cb 0.31 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2pgr h GLU 262 CO 0.01 0.26 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.37 2pgr h LEU 263 N 0.41 0.99 -0.56 1.64 3.38 -1.80 -2.89 115.31 116.48 2pgr h LEU 263 Ca 0.12 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2pgr h LEU 263 Cb -0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 2pgr h LEU 263 CO -0.03 1.10 0.31 0.40 0.09 0.00 0.00 178.44 180.31 2pgr h ILE 264 N 0.88 1.00 0.00 1.22 2.04 -0.98 0.19 117.51 121.85 2pgr h ILE 264 Ca 0.14 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2pgr h ILE 264 Cb 0.66 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2pgr h ILE 264 CO 0.05 0.11 0.00 0.47 0.00 0.00 0.00 178.15 178.78 2pgr n ASP 265 N -4.82 0.51 0.00 1.72 8.00 0.03 -2.05 116.55 119.94 2pgr n ASP 265 Ca 0.05 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2pgr n ASP 265 Cb 0.12 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.06 2pgr n ASP 265 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2pgr n VAL 267 N 0.47 0.00 -0.07 2.53 0.31 0.05 -1.27 118.33 120.35 2pgr n VAL 267 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2pgr n VAL 267 Cb 0.10 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.99 2pgr n VAL 267 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2pgr h LYS 268 N 0.00 0.37 0.00 5.55 1.57 -1.65 -1.33 116.57 121.08 2pgr h LYS 268 Ca 0.00 -0.09 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 2pgr h LYS 268 Cb 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2pgr h LYS 268 CO 0.00 0.49 -0.46 1.05 -0.57 0.00 0.00 179.45 179.95 2pgr h GLU 269 N 0.19 0.00 -0.01 3.15 -0.00 -1.46 -2.48 114.58 113.97 2pgr h GLU 269 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.43 2pgr h GLU 269 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.03 2pgr h GLU 269 CO 0.00 0.46 -0.06 1.63 -0.00 0.00 0.00 179.01 181.04 2pgr n LYS 270 N -3.84 1.36 -3.13 1.06 5.02 -1.20 -4.94 118.16 112.48 2pgr n LYS 270 Ca -0.01 -0.73 -0.23 0.00 -2.02 0.00 0.00 58.31 55.32 2pgr n LYS 270 Cb 0.50 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.07 2pgr n LYS 270 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2pgr n ASN 271 N -0.18 -6.12 -4.75 4.39 5.15 -0.93 -4.98 115.26 107.84 2pgr n ASN 271 Ca 0.18 -0.33 -0.40 0.00 -0.60 0.00 0.00 54.58 53.42 2pgr n ASN 271 Cb 0.33 -4.93 -0.05 0.00 -0.53 0.00 0.00 39.78 34.60 2pgr n ASN 271 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pgr s ILE 272 N -3.20 4.62 -0.11 -1.44 1.01 -0.55 -4.95 121.20 116.59 2pgr s ILE 272 Ca 0.35 1.69 -0.04 0.00 0.00 0.00 0.00 60.65 62.66 2pgr s ILE 272 Cb -0.16 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2pgr s ILE 272 CO 0.44 0.40 0.05 -0.22 0.00 0.00 0.00 174.94 175.60 2pgr s LEU 273 N -0.31 3.83 -0.25 2.97 0.20 -1.20 -4.41 118.68 119.50 2pgr s LEU 273 Ca 0.39 0.22 -0.15 0.00 0.69 0.00 0.00 54.13 55.28 2pgr s LEU 273 Cb -0.21 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.60 2pgr s LEU 273 CO 0.24 0.36 0.35 -0.76 -0.29 0.00 0.00 176.35 176.26 2pgr s LEU 274 N -0.76 4.07 -1.00 -0.68 1.43 -0.44 -1.43 118.68 119.87 2pgr s LEU 274 Ca 0.12 0.32 -0.20 0.00 -1.03 0.00 0.00 54.13 53.34 2pgr s LEU 274 Cb -0.12 -2.40 0.10 0.00 0.03 0.00 0.00 46.19 43.80 2pgr s LEU 274 CO 0.03 -0.13 1.30 -1.61 0.23 0.00 0.00 176.35 176.16 2pgr s GLU 275 N 1.77 3.65 0.15 1.70 2.02 0.34 -2.08 118.70 126.24 2pgr s GLU 275 Ca 0.15 -1.60 -0.30 0.00 0.02 0.00 0.00 54.97 53.25 2pgr s GLU 275 Cb -0.15 -5.12 -0.07 0.00 0.10 0.00 0.00 34.13 28.89 2pgr s GLU 275 CO 0.09 -1.96 0.94 0.08 0.02 0.00 0.00 175.26 174.44 2pgr s VAL 276 N 3.52 4.38 -0.55 2.63 1.01 -0.60 -0.81 120.40 129.97 2pgr s VAL 276 Ca 0.39 2.05 0.04 0.00 0.00 0.00 0.00 61.98 64.46 2pgr s VAL 276 Cb -0.02 -4.31 0.15 0.00 0.00 0.00 0.00 36.38 32.19 2pgr s VAL 276 CO -0.08 0.38 0.34 0.00 0.00 0.00 0.00 175.10 175.74 2pgr h PRO 278 N 6.12 -0.88 -0.56 0.00 0.11 -1.94 -1.76 132.00 133.09 2pgr h PRO 278 Ca 0.04 0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 2pgr h PRO 278 Cb 0.86 0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 2pgr h PRO 278 CO 0.63 -0.59 0.34 0.82 -0.21 0.00 0.00 178.00 178.99 2pgr h ILE 279 N -0.92 1.17 -0.57 4.15 2.04 -1.91 -2.43 117.51 119.03 2pgr h ILE 279 Ca -0.05 -0.37 0.10 0.00 1.00 0.00 0.00 64.86 65.54 2pgr h ILE 279 Cb 0.79 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 2pgr h ILE 279 CO -0.02 0.17 0.12 -1.28 0.00 0.00 0.00 178.15 177.13 2pgr h SER 280 N 0.76 -0.00 -0.57 1.72 0.87 -1.81 -0.06 113.55 114.46 2pgr h SER 280 Ca 0.20 0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.86 2pgr h SER 280 Cb -0.02 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 2pgr h SER 280 CO -0.04 0.01 0.33 0.78 -0.53 0.00 0.00 176.83 177.39 2pgr h ASN 281 N 0.25 0.69 -0.30 6.23 -0.26 -0.86 -1.30 115.58 120.03 2pgr h ASN 281 Ca 0.30 -0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.91 2pgr h ASN 281 Cb 0.43 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2pgr h ASN 281 CO -0.38 0.56 -0.02 0.58 -1.06 0.00 0.00 177.43 177.10 2pgr h VAL 282 N 0.77 1.27 0.00 2.81 2.07 -1.01 0.26 116.25 122.42 2pgr h VAL 282 Ca 0.20 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.63 2pgr h VAL 282 Cb 0.01 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2pgr h VAL 282 CO -0.04 0.32 -0.46 -0.07 0.02 0.00 0.00 177.57 177.34 2pgr h LEU 283 N 0.33 0.00 -0.98 2.57 3.38 -0.85 -2.34 115.31 117.42 2pgr h LEU 283 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pgr h LEU 283 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2pgr h LEU 283 CO 0.02 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.19 2pgr n LEU 284 N -3.87 1.51 -2.83 1.67 4.32 -0.51 -1.37 117.00 115.92 2pgr n LEU 284 Ca -0.01 -0.55 -0.21 0.00 -0.02 0.00 0.00 56.01 55.22 2pgr n LEU 284 Cb 0.50 -0.03 0.04 0.00 -1.62 0.00 0.00 43.42 42.30 2pgr n LEU 284 CO 0.39 0.27 0.02 0.29 -1.22 0.00 0.00 177.39 177.15 2pgr n LYS 285 N 0.19 -4.79 0.03 3.23 5.02 -0.88 -3.54 118.16 117.42 2pgr n LYS 285 Ca 0.18 0.83 0.11 0.00 -2.02 0.00 0.00 58.31 57.42 2pgr n LYS 285 Cb 0.34 -5.55 0.03 0.00 -0.02 0.00 0.00 35.03 29.82 2pgr n LYS 285 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2pgr n ASN 286 N -2.21 0.61 -4.27 4.39 3.02 0.86 -4.77 115.26 112.90 2pgr n ASN 286 Ca -0.09 -0.13 -0.28 0.00 -0.03 0.00 0.00 54.58 54.04 2pgr n ASN 286 Cb 0.61 0.76 -0.15 0.00 -0.61 0.00 0.00 39.78 40.38 2pgr n ASN 286 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pgr s ALA 287 N -3.22 1.92 0.24 5.41 0.00 -0.84 -4.78 121.76 120.49 2pgr s ALA 287 Ca 0.03 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 50.94 2pgr s ALA 287 Cb 0.14 -0.45 0.27 0.00 0.00 0.00 0.00 23.12 23.07 2pgr s ALA 287 CO 0.80 0.46 1.66 0.87 0.00 0.00 0.00 175.76 179.55 2pgr h LYS 288 N 5.33 0.68 0.00 0.00 1.57 -1.86 -3.40 116.57 118.89 2pgr h LYS 288 Ca -0.42 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 2pgr h LYS 288 Cb 1.14 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2pgr h LYS 288 CO 0.46 0.84 0.00 -1.13 -0.57 0.00 0.00 179.45 179.06 2pgr n SER 289 N -4.12 0.00 0.00 0.86 3.41 -1.26 -5.02 113.62 107.49 2pgr n SER 289 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2pgr n SER 289 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2pgr n SER 289 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pgr n ASP 291 N 0.00 0.00 -0.58 4.04 8.00 -1.26 -2.14 116.55 124.61 2pgr n ASP 291 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 2pgr n ASP 291 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.29 2pgr n ASP 291 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pgr n THR 292 N 0.00 2.19 -2.22 -3.53 -2.24 -1.26 -4.94 114.28 102.27 2pgr n THR 292 Ca 0.00 -2.74 -0.42 0.00 -2.27 0.00 0.00 64.05 58.62 2pgr n THR 292 Cb 0.00 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 67.94 2pgr n THR 292 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2pgr s HIS 293 N -3.10 3.27 -0.12 4.78 5.04 -0.91 -4.71 115.29 119.54 2pgr s HIS 293 Ca 0.38 1.15 0.24 0.00 -1.54 0.00 0.00 55.06 55.28 2pgr s HIS 293 Cb 0.35 -3.61 1.30 0.00 0.04 0.00 0.00 32.58 30.66 2pgr s HIS 293 CO -0.01 -1.97 1.74 -1.35 -2.34 0.00 0.00 174.74 170.80 2pgr h PRO 294 N 5.96 0.00 -0.91 2.88 0.11 -1.90 -3.14 132.00 134.99 2pgr h PRO 294 Ca -0.44 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.82 2pgr h PRO 294 Cb 1.21 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 2pgr h PRO 294 CO 0.80 0.00 0.59 0.97 -0.21 0.00 0.00 178.00 180.15 2pgr h ILE 295 N 0.00 0.83 -0.09 4.15 2.10 -1.91 -0.64 117.51 121.95 2pgr h ILE 295 Ca 0.00 -0.25 -0.00 0.00 1.08 0.00 0.00 64.86 65.69 2pgr h ILE 295 Cb 0.02 0.04 -0.00 0.00 -1.09 0.00 0.00 36.82 35.78 2pgr h ILE 295 CO 0.00 0.13 0.04 -0.09 -1.08 0.00 0.00 178.15 177.15 2pgr h ARG 296 N 0.73 0.13 -0.44 2.19 9.65 -1.94 0.12 114.38 124.82 2pgr h ARG 296 Ca 0.46 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 59.19 2pgr h ARG 296 Cb 0.72 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2pgr h ARG 296 CO -0.22 0.24 -0.23 -0.56 2.80 0.00 0.00 179.97 181.99 2pgr h GLN 297 N -0.00 0.93 -0.34 0.20 3.07 -1.65 -1.69 115.11 115.62 2pgr h GLN 297 Ca 0.03 -0.42 0.01 0.00 0.09 0.00 0.00 58.65 58.36 2pgr h GLN 297 Cb 0.16 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 2pgr h GLN 297 CO -0.00 1.08 0.22 -0.07 0.09 0.00 0.00 178.83 180.14 2pgr h LEU 298 N 0.76 0.37 -0.25 0.06 3.38 -1.06 0.72 115.31 119.29 2pgr h LEU 298 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pgr h LEU 298 Cb 0.81 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2pgr h LEU 298 CO 0.07 0.27 0.17 0.22 0.09 0.00 0.00 178.44 179.25 2pgr h TYR 299 N 0.45 0.31 0.00 1.13 3.20 -0.69 -2.15 116.97 119.23 2pgr h TYR 299 Ca 0.13 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2pgr h TYR 299 Cb -0.04 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 2pgr h TYR 299 CO -0.06 0.20 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.94 2pgr h ASP 300 N 0.34 0.00 0.72 -2.11 3.32 -1.09 -2.34 116.42 115.26 2pgr h ASP 300 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2pgr h ASP 300 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2pgr h ASP 300 CO -0.02 0.28 0.00 0.00 -1.72 0.00 0.00 179.24 177.78 2pgr n ALA 301 N -2.41 2.05 -0.29 3.45 0.00 0.23 -4.89 120.51 118.64 2pgr n ALA 301 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2pgr n ALA 301 Cb 0.35 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2pgr n ALA 301 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pgr n GLY 302 N 0.80 0.84 3.77 0.00 0.00 -0.88 -5.07 105.19 104.64 2pgr n GLY 302 Ca 0.06 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.54 2pgr n GLY 302 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pgr s VAL 303 N -2.00 4.23 -0.03 1.61 1.01 -0.84 -4.93 120.40 119.46 2pgr s VAL 303 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 2pgr s VAL 303 Cb 0.00 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 2pgr s VAL 303 CO 0.00 0.48 1.16 -0.54 0.00 0.00 0.00 175.10 176.20 2pgr s LYS 304 N -1.24 4.40 0.04 2.72 1.02 -1.26 -4.43 119.74 120.99 2pgr s LYS 304 Ca 0.39 1.64 0.02 0.00 0.02 0.00 0.00 55.97 58.04 2pgr s LYS 304 Cb -0.24 -3.50 -0.02 0.00 -0.52 0.00 0.00 37.83 33.54 2pgr s LYS 304 CO 0.28 -0.35 -0.07 0.14 -0.92 0.00 0.00 175.35 174.43 2pgr s VAL 305 N 1.83 0.49 0.16 3.17 -7.23 -1.26 -1.33 120.40 116.23 2pgr s VAL 305 Ca 0.55 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.65 2pgr s VAL 305 Cb -0.25 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.02 2pgr s VAL 305 CO 0.24 -0.43 -0.07 -0.94 -0.31 0.00 0.00 175.10 173.59 2pgr s SER 306 N -1.65 1.65 -0.13 4.85 1.04 -0.88 -4.82 113.70 113.77 2pgr s SER 306 Ca -0.10 -1.07 -0.11 0.00 0.48 0.00 0.00 55.95 55.15 2pgr s SER 306 Cb -0.09 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.00 2pgr s SER 306 CO -0.00 -0.41 0.24 -0.69 0.98 0.00 0.00 173.24 173.36 2pgr s VAL 307 N -3.42 5.34 0.03 5.02 1.01 -1.26 -1.56 120.40 125.56 2pgr s VAL 307 Ca 0.19 0.43 -0.03 0.00 0.00 0.00 0.00 61.98 62.57 2pgr s VAL 307 Cb 0.04 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2pgr s VAL 307 CO 0.02 0.50 0.05 0.20 0.00 0.00 0.00 175.10 175.86 2pgr s ASN 308 N -0.24 0.22 -0.00 3.32 0.01 -0.22 -4.66 114.94 113.37 2pgr s ASN 308 Ca 0.16 -0.54 0.12 0.00 -0.71 0.00 0.00 52.86 51.89 2pgr s ASN 308 Cb -0.13 0.18 -0.21 0.00 0.41 0.00 0.00 41.25 41.50 2pgr s ASN 308 CO 0.04 -0.44 0.79 0.77 -1.51 0.00 0.00 177.10 176.75 2pgr h SER 309 N 3.98 0.00 0.00 -1.22 4.64 -1.86 -3.38 113.55 115.72 2pgr h SER 309 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2pgr h SER 309 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2pgr h SER 309 CO 0.48 0.95 0.00 -0.67 -0.87 0.00 0.00 176.83 176.72 2pgr n ASP 310 N -3.08 0.00 -3.20 4.97 2.03 -0.92 -4.39 116.55 111.96 2pgr n ASP 310 Ca -0.13 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.97 2pgr n ASP 310 Cb 1.01 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 41.34 2pgr n ASP 310 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2pgr n ASP 311 N 3.67 -1.23 -0.29 1.67 8.00 -1.26 -0.98 116.55 126.13 2pgr n ASP 311 Ca 0.00 -2.56 0.24 0.00 0.71 0.00 0.00 54.79 53.18 2pgr n ASP 311 Cb 0.00 0.07 0.56 0.00 -0.02 0.00 0.00 41.12 41.72 2pgr n ASP 311 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2pgr h PRO 312 N 5.29 0.31 -0.20 -0.24 0.11 -1.76 -2.09 132.00 133.41 2pgr h PRO 312 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2pgr h PRO 312 Cb 0.96 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.00 2pgr h PRO 312 CO 0.29 0.20 0.00 0.41 -0.21 0.00 0.00 178.00 178.70 2pgr n GLY 313 N -1.54 0.21 0.00 -0.55 0.00 -0.23 -0.51 105.19 102.57 2pgr n GLY 313 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2pgr n GLY 313 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pgr n PHE 315 N 0.09 0.00 -3.93 1.61 3.72 -0.79 -4.78 117.46 113.39 2pgr n PHE 315 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 2pgr n PHE 315 Cb 0.05 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.60 2pgr n PHE 315 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2pgr n LEU 316 N 0.00 -2.48 -4.56 4.37 4.77 0.34 -4.50 117.00 114.95 2pgr n LEU 316 Ca 0.00 -0.87 -0.27 0.00 -0.03 0.00 0.00 56.01 54.84 2pgr n LEU 316 Cb 0.00 -2.44 -0.08 0.00 -2.33 0.00 0.00 43.42 38.57 2pgr n LEU 316 CO 0.00 0.42 -0.22 0.42 -1.33 0.00 0.00 177.39 176.68 2pgr s THR 317 N -3.51 0.82 0.27 -5.08 -4.23 -1.07 -5.02 115.64 97.82 2pgr s THR 317 Ca 0.40 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.93 2pgr s THR 317 Cb -0.21 -2.38 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 2pgr s THR 317 CO 0.85 0.00 0.15 0.54 -0.54 0.00 0.00 174.62 175.63 2pgr s ASN 318 N -3.65 1.09 0.36 3.99 2.20 -1.26 -4.42 114.94 113.24 2pgr s ASN 318 Ca 0.22 -1.50 0.08 0.00 -0.94 0.00 0.00 52.86 50.72 2pgr s ASN 318 Cb 0.03 0.36 0.79 0.00 -2.00 0.00 0.00 41.25 40.44 2pgr s ASN 318 CO 0.12 -0.86 1.90 -0.29 -2.94 0.00 0.00 177.10 175.03 2pgr h ILE 319 N 2.35 0.90 0.00 0.54 6.09 -1.95 -1.04 117.51 124.40 2pgr h ILE 319 Ca -0.34 -0.25 -0.04 0.00 -1.37 0.00 0.00 64.86 62.86 2pgr h ILE 319 Cb 1.25 0.12 -0.01 0.00 0.47 0.00 0.00 36.82 38.65 2pgr h ILE 319 CO 0.52 0.13 -0.21 0.78 -3.07 0.00 0.00 178.15 176.31 2pgr h ASN 320 N 0.72 0.00 -0.75 2.19 2.35 -1.93 -2.26 115.58 115.90 2pgr h ASN 320 Ca 0.40 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.14 2pgr h ASN 320 Cb 0.57 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.91 2pgr h ASN 320 CO -0.17 0.21 0.40 0.44 -1.65 0.00 0.00 177.43 176.66 2pgr h ASP 321 N 0.00 0.94 -0.88 5.81 3.32 -1.60 -0.48 116.42 123.53 2pgr h ASP 321 Ca -0.00 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2pgr h ASP 321 Cb 0.45 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 2pgr h ASP 321 CO 0.03 0.78 0.47 0.44 -1.72 0.00 0.00 179.24 179.24 2pgr h ASP 322 N 1.04 1.10 -0.46 6.45 5.19 -1.46 -0.35 116.42 127.93 2pgr h ASP 322 Ca 0.26 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 2pgr h ASP 322 Cb 0.05 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 2pgr h ASP 322 CO -0.04 0.89 0.23 1.88 -3.12 0.00 0.00 179.24 179.08 2pgr h TYR 323 N 1.23 0.67 -0.37 4.55 0.05 -1.28 -2.21 116.97 119.60 2pgr h TYR 323 Ca 0.31 -0.03 0.04 0.00 0.05 0.00 0.00 58.73 59.10 2pgr h TYR 323 Cb 0.04 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.53 2pgr h TYR 323 CO 0.01 0.53 0.14 1.49 -1.05 0.00 0.00 178.16 179.29 2pgr h GLU 324 N 0.61 0.30 -0.87 4.88 4.57 -0.65 -1.86 114.58 121.55 2pgr h GLU 324 Ca 0.16 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.30 2pgr h GLU 324 Cb 0.11 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.60 2pgr h GLU 324 CO -0.02 0.20 0.44 0.93 -1.18 0.00 0.00 179.01 179.38 2pgr h GLU 325 N 0.31 1.24 -0.30 1.92 4.39 -0.90 -0.82 114.58 120.42 2pgr h GLU 325 Ca 0.16 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.55 2pgr h GLU 325 Cb 0.12 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2pgr h GLU 325 CO -0.15 0.93 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.17 2pgr h LEU 326 N 1.23 0.76 0.55 1.33 3.38 -1.19 -1.59 115.31 119.78 2pgr h LEU 326 Ca 0.30 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2pgr h LEU 326 Cb 0.08 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2pgr h LEU 326 CO -0.04 1.06 -0.27 0.22 0.09 0.00 0.00 178.44 179.50 2pgr h TYR 327 N 0.59 -0.69 -0.16 1.13 3.20 -1.09 -2.32 116.97 117.62 2pgr h TYR 327 Ca 0.05 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2pgr h TYR 327 Cb 0.93 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.42 2pgr h TYR 327 CO 0.05 -0.36 0.02 1.15 -1.64 0.00 0.00 178.16 177.37 2pgr h THR 328 N -0.97 1.23 0.00 1.81 2.02 -1.17 -2.37 112.91 113.46 2pgr h THR 328 Ca -0.08 -0.75 -0.25 0.00 0.77 0.00 0.00 66.41 66.10 2pgr h THR 328 Cb 0.64 1.42 -0.04 0.00 -1.74 0.00 0.00 68.15 68.42 2pgr h THR 328 CO 0.12 0.23 -1.52 0.45 0.37 0.00 0.00 175.52 175.17 2pgr h HIS 329 N 0.05 0.00 0.00 3.16 3.86 -1.44 -3.40 115.15 117.37 2pgr h HIS 329 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 2pgr h HIS 329 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 2pgr h HIS 329 CO 0.02 0.89 -0.03 1.28 0.86 0.00 0.00 177.93 180.95 2pgr n LEU 330 N -3.05 1.39 -2.57 2.43 4.77 -0.90 -4.61 117.00 114.47 2pgr n LEU 330 Ca -0.13 -1.55 -0.20 0.00 -0.03 0.00 0.00 56.01 54.10 2pgr n LEU 330 Cb 0.98 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 2pgr n LEU 330 CO 0.45 0.38 -0.19 0.59 -1.33 0.00 0.00 177.39 177.29 2pgr n ASN 331 N -0.46 -5.60 -4.76 -1.43 4.13 -0.89 -4.93 115.26 101.32 2pgr n ASN 331 Ca 0.02 -0.05 -0.40 0.00 1.68 0.00 0.00 54.58 55.82 2pgr n ASN 331 Cb 0.40 -4.64 -0.04 0.00 -1.54 0.00 0.00 39.78 33.96 2pgr n ASN 331 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2pgr s PHE 332 N -3.01 3.51 0.44 3.10 0.08 -1.05 -4.99 117.98 116.06 2pgr s PHE 332 Ca 0.08 1.66 0.08 0.00 0.12 0.00 0.00 56.93 58.86 2pgr s PHE 332 Cb -0.03 -3.34 0.01 0.00 -0.57 0.00 0.00 43.02 39.09 2pgr s PHE 332 CO 0.09 -0.73 0.57 0.95 -0.10 0.00 0.00 175.22 176.00 2pgr s THR 333 N -1.11 2.85 0.35 0.64 -4.23 -1.26 -4.42 115.64 108.46 2pgr s THR 333 Ca 0.45 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 2pgr s THR 333 Cb -0.33 -2.90 0.25 0.00 1.34 0.00 0.00 72.50 70.86 2pgr s THR 333 CO 0.42 0.00 1.99 -0.07 -0.54 0.00 0.00 174.62 176.43 2pgr h LEU 334 N 0.64 0.67 -0.67 4.79 3.38 -1.96 -1.63 115.31 120.52 2pgr h LEU 334 Ca -0.39 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 2pgr h LEU 334 Cb 1.28 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 2pgr h LEU 334 CO 0.46 0.52 -0.02 -0.33 0.09 0.00 0.00 178.44 179.16 2pgr h GLU 335 N 0.77 1.01 -0.15 1.13 3.07 -1.95 -2.93 114.58 115.53 2pgr h GLU 335 Ca 0.20 -0.32 -0.00 0.00 -0.50 0.00 0.00 59.36 58.74 2pgr h GLU 335 Cb -0.02 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 2pgr h GLU 335 CO -0.04 1.00 0.09 -0.44 -1.40 0.00 0.00 179.01 178.22 2pgr h ASP 336 N 0.92 0.18 0.00 1.42 3.32 -1.84 -1.78 116.42 118.65 2pgr h ASP 336 Ca 0.16 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2pgr h ASP 336 Cb 0.56 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2pgr h ASP 336 CO 0.03 0.20 0.00 0.49 -1.72 0.00 0.00 179.24 178.24 2pgr n PHE 337 N -4.94 0.00 -0.40 4.55 3.72 -0.65 -4.62 117.46 115.11 2pgr n PHE 337 Ca -0.04 -0.03 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2pgr n PHE 337 Cb 0.06 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 2pgr n PHE 337 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2pgr n LYS 339 N 0.71 -0.52 0.00 -1.08 4.81 -0.67 -4.64 118.16 116.77 2pgr n LYS 339 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2pgr n LYS 339 Cb 0.05 -1.76 0.00 0.00 0.02 0.00 0.00 35.03 33.34 2pgr n LYS 339 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2pgr n ASN 341 N 0.58 0.00 -0.10 3.14 3.02 -1.26 -1.33 115.26 119.31 2pgr n ASN 341 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.42 2pgr n ASN 341 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2pgr n ASN 341 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2pgr h GLU 342 N 0.00 0.91 0.01 3.52 4.81 -1.93 -0.94 114.58 120.95 2pgr h GLU 342 Ca 0.00 -0.50 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2pgr h GLU 342 Cb 0.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2pgr h GLU 342 CO 0.00 1.15 -0.07 -1.49 -0.73 0.00 0.00 179.01 177.87 2pgr h TRP 343 N 0.73 -0.19 -0.72 0.92 6.55 -1.57 -0.55 115.95 121.12 2pgr h TRP 343 Ca 0.05 0.01 0.14 0.00 0.95 0.00 0.00 58.89 60.04 2pgr h TRP 343 Cb 1.02 0.08 -0.10 0.00 -0.86 0.00 0.00 29.16 29.31 2pgr h TRP 343 CO 0.06 -0.12 0.23 0.00 -1.05 0.00 0.00 178.44 177.56 2pgr h ALA 344 N 0.85 0.96 0.12 1.49 0.00 -1.81 0.13 119.26 121.00 2pgr h ALA 344 Ca 0.03 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pgr h ALA 344 Cb 0.17 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2pgr h ALA 344 CO -0.07 -0.27 -0.06 1.25 0.00 0.00 0.00 179.25 180.09 2pgr h LEU 345 N 0.35 -0.14 -0.98 0.00 5.85 -0.84 0.91 115.31 120.45 2pgr h LEU 345 Ca 0.40 -0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.20 2pgr h LEU 345 Cb 0.63 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.62 2pgr h LEU 345 CO -0.44 -0.09 0.62 -0.33 -0.34 0.00 0.00 178.44 177.86 2pgr h GLU 346 N -0.17 1.06 -0.02 1.25 5.08 -0.16 -2.65 114.58 118.97 2pgr h GLU 346 Ca -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2pgr h GLU 346 Cb 0.13 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2pgr h GLU 346 CO 0.03 0.70 -0.07 1.63 -1.00 0.00 0.00 179.01 180.30 2pgr n LYS 347 N -4.56 1.65 -1.91 2.33 4.76 0.35 -4.94 118.16 115.84 2pgr n LYS 347 Ca 0.16 -1.09 -0.37 0.00 -2.87 0.00 0.00 58.31 54.14 2pgr n LYS 347 Cb 0.24 -1.48 0.04 0.00 -1.84 0.00 0.00 35.03 31.99 2pgr n LYS 347 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2pgr s SER 348 N -2.10 5.16 -1.28 4.39 0.15 0.29 -5.00 113.70 115.31 2pgr s SER 348 Ca 0.33 2.54 -0.13 0.00 0.70 0.00 0.00 55.95 59.39 2pgr s SER 348 Cb 0.20 -2.61 0.13 0.00 -1.71 0.00 0.00 66.02 62.03 2pgr s SER 348 CO 0.37 -1.62 1.73 0.49 1.20 0.00 0.00 173.24 175.41 2pgr n PHE 349 N -1.40 4.11 -3.20 3.44 3.72 -1.26 -5.05 117.46 117.82 2pgr n PHE 349 Ca 0.13 -3.04 -0.39 0.00 -0.05 0.00 0.00 57.45 54.10 2pgr n PHE 349 Cb 0.48 -2.24 -0.06 0.00 -0.94 0.00 0.00 39.48 36.72 2pgr n PHE 349 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2pgr s ASP 351 N 2.52 6.92 0.40 4.37 3.68 -1.26 -4.87 116.67 128.43 2pgr s ASP 351 Ca 0.44 1.10 0.12 0.00 2.13 0.00 0.00 52.55 56.34 2pgr s ASP 351 Cb 0.04 -2.36 0.85 0.00 -1.45 0.00 0.00 42.92 40.00 2pgr s ASP 351 CO 0.00 0.05 1.93 0.77 0.13 0.00 0.00 175.17 178.05 2pgr h SER 352 N 6.01 0.12 0.51 -0.34 4.64 -1.99 -2.09 113.55 120.41 2pgr h SER 352 Ca -0.44 -0.02 -0.11 0.00 -0.47 0.00 0.00 61.79 60.75 2pgr h SER 352 Cb 1.20 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2pgr h SER 352 CO 0.71 0.31 -0.51 -0.55 -0.87 0.00 0.00 176.83 175.93 2pgr h ASN 353 N 0.12 0.00 -0.23 4.97 -1.07 -2.04 0.77 115.58 118.10 2pgr h ASN 353 Ca 0.02 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.31 2pgr h ASN 353 Cb 0.40 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.65 2pgr h ASN 353 CO 0.03 0.51 -0.17 0.40 0.07 0.00 0.00 177.43 178.26 2pgr h ILE 354 N 0.00 1.31 -0.80 6.14 2.04 -1.84 -2.73 117.51 121.63 2pgr h ILE 354 Ca -0.01 -1.30 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 2pgr h ILE 354 Cb 0.91 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.61 2pgr h ILE 354 CO 0.07 0.40 0.38 0.11 0.00 0.00 0.00 178.15 179.11 2pgr h LYS 355 N 0.22 1.15 -0.68 2.37 1.57 -1.12 -1.82 116.57 118.25 2pgr h LYS 355 Ca 0.04 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 2pgr h LYS 355 Cb 0.70 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 2pgr h LYS 355 CO 0.05 0.88 0.28 -0.44 -0.57 0.00 0.00 179.45 179.65 2pgr h ASP 356 N 1.14 0.91 -0.43 0.86 3.32 -0.87 -0.96 116.42 120.39 2pgr h ASP 356 Ca 0.27 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2pgr h ASP 356 Cb 0.12 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 2pgr h ASP 356 CO -0.03 0.81 0.25 0.50 -1.72 0.00 0.00 179.24 179.04 2pgr h LYS 357 N 0.98 0.59 -0.42 3.56 3.64 -1.10 -1.85 116.57 121.98 2pgr h LYS 357 Ca 0.23 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.41 2pgr h LYS 357 Cb 0.18 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 2pgr h LYS 357 CO -0.02 0.45 -0.30 0.82 -2.27 0.00 0.00 179.45 178.13 2pgr h ILE 358 N 0.56 1.27 -0.30 2.00 2.04 -1.06 -2.38 117.51 119.65 2pgr h ILE 358 Ca 0.15 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 2pgr h ILE 358 Cb 0.02 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2pgr h ILE 358 CO -0.03 0.49 0.19 0.50 0.00 0.00 0.00 178.15 179.30 2pgr h LYS 359 N 0.77 0.40 -0.24 2.37 3.64 -1.07 -1.57 116.57 120.86 2pgr h LYS 359 Ca 0.08 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2pgr h LYS 359 Cb 0.87 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2pgr h LYS 359 CO 0.08 0.30 -0.08 -0.91 -2.27 0.00 0.00 179.45 176.57 2pgr h ASN 360 N 0.39 0.37 0.61 4.20 2.35 -1.27 0.19 115.58 122.42 2pgr h ASN 360 Ca 0.11 -0.08 -0.22 0.00 -0.55 0.00 0.00 56.30 55.56 2pgr h ASN 360 Cb -0.00 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 2pgr h ASN 360 CO -0.02 0.49 -0.98 0.25 -1.65 0.00 0.00 177.43 175.52 2pgr h LEU 361 N 0.37 0.30 0.00 1.61 5.85 -1.16 -3.41 115.31 118.87 2pgr h LEU 361 Ca 0.08 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2pgr h LEU 361 Cb 0.38 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2pgr h LEU 361 CO 0.02 1.11 -0.76 -1.22 -0.34 0.00 0.00 178.44 177.25 2pgr n TYR 362 N -3.60 0.00 0.05 1.25 4.01 -0.62 -5.10 117.16 113.15 2pgr n TYR 362 Ca -0.05 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.70 2pgr n TYR 362 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.91 2pgr n TYR 362 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59