#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pg4 s LYS 6 N 0.00 3.30 -0.13 1.57 1.02 -1.26 -4.56 119.74 119.69 1pg4 s LYS 6 Ca 0.00 -0.72 -0.28 0.00 0.02 0.00 0.00 55.97 54.98 1pg4 s LYS 6 Cb 0.00 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 1pg4 s LYS 6 CO 0.00 0.16 0.95 -1.01 -0.92 0.00 0.00 175.35 174.54 1pg4 s HIS 7 N 0.46 3.48 0.72 3.18 3.76 0.57 -4.87 115.29 122.60 1pg4 s HIS 7 Ca -0.11 1.49 -0.11 0.00 -0.15 0.00 0.00 55.06 56.19 1pg4 s HIS 7 Cb -0.16 -3.14 0.02 0.00 1.11 0.00 0.00 32.58 30.42 1pg4 s HIS 7 CO 0.05 -0.23 1.07 0.00 -0.85 0.00 0.00 174.74 174.78 1pg4 s ALA 8 N 2.06 2.57 -0.19 -1.40 0.00 -1.26 -1.69 121.76 121.85 1pg4 s ALA 8 Ca 0.45 -0.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 1pg4 s ALA 8 Cb -0.18 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 1pg4 s ALA 8 CO 0.16 -1.36 1.16 0.42 0.00 0.00 0.00 175.76 176.14 1pg4 s ILE 9 N -3.08 4.47 0.54 0.00 1.01 -1.26 -4.89 121.20 117.99 1pg4 s ILE 9 Ca 0.59 1.77 -0.21 0.00 0.00 0.00 0.00 60.65 62.80 1pg4 s ILE 9 Cb -0.14 -4.14 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 1pg4 s ILE 9 CO 0.55 -0.15 1.30 -2.84 0.00 0.00 0.00 174.94 173.80 1pg4 s PRO 10 N 3.29 3.18 0.30 2.79 0.02 -1.26 -4.78 135.00 138.53 1pg4 s PRO 10 Ca 0.50 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1pg4 s PRO 10 Cb -0.19 -2.21 0.52 0.00 0.02 0.00 0.00 34.50 32.64 1pg4 s PRO 10 CO 0.11 -1.12 1.90 0.00 -0.33 0.00 0.00 177.00 177.56 1pg4 h ALA 11 N 1.42 1.50 -0.63 -1.55 0.00 -1.98 0.68 119.26 118.70 1pg4 h ALA 11 Ca -0.51 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1pg4 h ALA 11 Cb 1.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1pg4 h ALA 11 CO 0.57 0.34 0.24 -2.95 0.00 0.00 0.00 179.25 177.45 1pg4 h ASN 12 N 1.04 0.85 -0.06 0.00 -1.07 -1.98 0.11 115.58 114.48 1pg4 h ASN 12 Ca 0.41 -0.12 -0.24 0.00 0.07 0.00 0.00 56.30 56.42 1pg4 h ASN 12 Cb 0.24 -0.22 0.02 0.00 -2.07 0.00 0.00 38.32 36.29 1pg4 h ASN 12 CO -0.16 0.77 -0.89 0.40 0.07 0.00 0.00 177.43 177.62 1pg4 h ILE 13 N 0.91 1.29 -0.54 6.14 1.08 -1.73 -3.13 117.51 121.54 1pg4 h ILE 13 Ca 0.21 -2.11 -0.01 0.00 -0.39 0.00 0.00 64.86 62.56 1pg4 h ILE 13 Cb 0.20 2.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.16 1pg4 h ILE 13 CO -0.02 0.66 0.28 0.00 -0.69 0.00 0.00 178.15 178.38 1pg4 h ALA 14 N 0.45 1.49 0.00 1.87 0.00 -0.48 0.11 119.26 122.70 1pg4 h ALA 14 Ca -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1pg4 h ALA 14 Cb 1.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pg4 h ALA 14 CO 0.18 0.42 0.00 -0.44 0.00 0.00 0.00 179.25 179.41 1pg4 h ASP 15 N 0.75 0.00 0.00 0.00 3.32 -0.74 -3.33 116.42 116.41 1pg4 h ASP 15 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1pg4 h ASP 15 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1pg4 h ASP 15 CO -0.03 0.00 0.00 -2.11 -1.72 0.00 0.00 179.24 175.38 1pg4 n ARG 16 N -3.03 1.13 -1.73 3.56 1.85 -0.95 -5.09 116.66 112.40 1pg4 n ARG 16 Ca 0.01 -0.20 -0.40 0.00 -1.00 0.00 0.00 57.85 56.26 1pg4 n ARG 16 Cb 0.33 -0.63 0.02 0.00 -1.05 0.00 0.00 32.46 31.13 1pg4 n ARG 16 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1pg4 h LEU 18 N 2.14 0.00 -7.45 0.00 3.38 -1.90 -3.43 115.31 108.05 1pg4 h LEU 18 Ca -0.49 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.04 1pg4 h LEU 18 Cb 1.28 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.65 1pg4 h LEU 18 CO 0.60 0.68 -0.76 -0.63 0.09 0.00 0.00 178.44 178.42 1pg4 s ILE 19 N -3.23 0.34 0.62 1.22 1.01 -1.26 -5.09 121.20 114.81 1pg4 s ILE 19 Ca 0.00 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1pg4 s ILE 19 Cb 0.11 -0.53 0.08 0.00 0.01 0.00 0.00 42.46 42.13 1pg4 s ILE 19 CO 0.76 0.22 0.86 0.54 0.00 0.00 0.00 174.94 177.33 1pg4 s ASN 20 N 1.98 4.84 0.22 3.58 2.20 -1.26 -3.31 114.94 123.19 1pg4 s ASN 20 Ca 0.05 -0.37 -0.09 0.00 -0.94 0.00 0.00 52.86 51.51 1pg4 s ASN 20 Cb -0.13 -0.23 0.33 0.00 -2.00 0.00 0.00 41.25 39.22 1pg4 s ASN 20 CO -0.05 -1.48 1.70 -0.65 -2.94 0.00 0.00 177.10 173.67 1pg4 h PRO 21 N -0.14 0.24 -0.45 3.55 0.11 -1.70 -0.72 132.00 132.89 1pg4 h PRO 21 Ca -0.37 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1pg4 h PRO 21 Cb 1.28 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1pg4 h PRO 21 CO 0.44 0.16 0.07 0.93 -0.21 0.00 0.00 178.00 179.39 1pg4 h GLU 22 N 0.25 0.74 -0.41 1.05 3.07 -1.94 -2.27 114.58 115.06 1pg4 h GLU 22 Ca 0.33 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1pg4 h GLU 22 Cb 0.52 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 1pg4 h GLU 22 CO -0.43 0.76 0.00 1.96 -1.40 0.00 0.00 179.01 179.90 1pg4 h GLN 23 N 0.61 0.66 0.11 2.33 4.20 -1.84 -1.41 115.11 119.78 1pg4 h GLN 23 Ca 0.14 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1pg4 h GLN 23 Cb 0.38 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1pg4 h GLN 23 CO 0.01 0.68 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.88 1pg4 h TYR 24 N 0.63 -0.14 -0.40 2.96 3.20 -0.93 -0.34 116.97 121.95 1pg4 h TYR 24 Ca 0.13 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.04 1pg4 h TYR 24 Cb 0.39 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 1pg4 h TYR 24 CO 0.02 0.01 0.14 0.93 -1.64 0.00 0.00 178.16 177.61 1pg4 h GLU 25 N -0.26 0.29 0.14 1.82 4.39 -1.14 0.11 114.58 119.93 1pg4 h GLU 25 Ca -0.02 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1pg4 h GLU 25 Cb 0.21 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1pg4 h GLU 25 CO 0.03 0.19 -0.07 1.15 -1.16 0.00 0.00 179.01 179.15 1pg4 h THR 26 N 0.30 0.95 -0.73 1.13 2.02 -1.16 -1.96 112.91 113.46 1pg4 h THR 26 Ca 0.18 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1pg4 h THR 26 Cb 0.17 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1pg4 h THR 26 CO -0.19 0.09 0.42 0.11 0.37 0.00 0.00 175.52 176.32 1pg4 h LYS 27 N -0.36 1.00 -0.22 6.66 1.57 -0.92 -1.92 116.57 122.39 1pg4 h LYS 27 Ca -0.02 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1pg4 h LYS 27 Cb 0.29 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1pg4 h LYS 27 CO 0.03 0.73 0.13 -0.92 -0.57 0.00 0.00 179.45 178.84 1pg4 h TYR 28 N 1.00 0.29 -0.71 -1.35 3.20 -0.73 0.24 116.97 118.91 1pg4 h TYR 28 Ca 0.26 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.19 1pg4 h TYR 28 Cb -0.00 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.11 1pg4 h TYR 28 CO -0.01 0.24 0.40 0.87 -1.64 0.00 0.00 178.16 178.03 1pg4 h LYS 29 N 0.26 0.70 -0.23 1.82 6.56 -1.11 -1.89 116.57 122.68 1pg4 h LYS 29 Ca 0.08 -0.04 -0.13 0.00 -1.06 0.00 0.00 60.65 59.50 1pg4 h LYS 29 Cb 0.04 -0.16 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 1pg4 h LYS 29 CO -0.01 0.47 -0.40 0.37 -2.06 0.00 0.00 179.45 177.82 1pg4 h GLN 30 N 0.73 0.53 0.00 3.15 4.15 -1.02 0.04 115.11 122.69 1pg4 h GLN 30 Ca 0.32 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.44 1pg4 h GLN 30 Cb 0.21 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1pg4 h GLN 30 CO -0.19 0.84 -0.16 0.66 -1.93 0.00 0.00 178.83 178.06 1pg4 h SER 31 N 0.44 0.00 0.08 -0.69 4.64 -0.21 0.26 113.55 118.08 1pg4 h SER 31 Ca 0.04 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.05 1pg4 h SER 31 Cb 0.89 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 1pg4 h SER 31 CO 0.08 0.16 -1.68 0.40 -0.87 0.00 0.00 176.83 174.91 1pg4 h ILE 32 N 0.00 0.77 0.02 0.95 1.08 -1.11 -3.22 117.51 115.99 1pg4 h ILE 32 Ca -0.00 -2.29 -0.21 0.00 -0.39 0.00 0.00 64.86 61.97 1pg4 h ILE 32 Cb 0.31 2.43 -0.01 0.00 -3.07 0.00 0.00 36.82 36.47 1pg4 h ILE 32 CO 0.02 0.67 -0.93 0.78 -0.69 0.00 0.00 178.15 178.01 1pg4 h ASN 33 N -0.34 0.25 -1.79 1.72 2.35 -0.92 -3.39 115.58 113.45 1pg4 h ASN 33 Ca -0.39 -0.21 -0.52 0.00 -0.55 0.00 0.00 56.30 54.63 1pg4 h ASN 33 Cb 1.75 -0.08 -0.36 0.00 0.05 0.00 0.00 38.32 39.68 1pg4 h ASN 33 CO -0.02 1.05 -1.05 -0.67 -1.65 0.00 0.00 177.43 175.09 1pg4 n ASP 34 N -3.61 -0.12 -0.08 5.81 2.03 0.92 -4.98 116.55 116.52 1pg4 n ASP 34 Ca -0.04 -2.77 0.12 0.00 0.52 0.00 0.00 54.79 52.62 1pg4 n ASP 34 Cb 0.84 -0.38 0.50 0.00 -0.72 0.00 0.00 41.12 41.37 1pg4 n ASP 34 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1pg4 h PRO 35 N 3.95 0.39 -0.62 -0.67 0.13 -1.60 -1.21 132.00 132.37 1pg4 h PRO 35 Ca 0.05 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 1pg4 h PRO 35 Cb 0.90 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 1pg4 h PRO 35 CO 0.45 0.26 0.27 -0.44 -0.23 0.00 0.00 178.00 178.31 1pg4 h ASP 36 N 0.40 0.83 -0.03 1.44 3.45 -1.90 0.20 116.42 120.81 1pg4 h ASP 36 Ca 0.27 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 57.50 1pg4 h ASP 36 Cb 0.53 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.09 1pg4 h ASP 36 CO -0.07 0.75 -0.29 0.74 -1.57 0.00 0.00 179.24 178.80 1pg4 h THR 37 N 0.86 1.48 0.41 0.35 2.02 -1.79 -0.69 112.91 115.54 1pg4 h THR 37 Ca 0.21 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 1pg4 h THR 37 Cb 0.16 2.55 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 1pg4 h THR 37 CO -0.02 0.51 -0.30 0.15 0.37 0.00 0.00 175.52 176.23 1pg4 h PHE 38 N -0.33 -0.79 0.00 3.16 3.57 -1.13 -1.77 116.94 119.65 1pg4 h PHE 38 Ca -0.03 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 1pg4 h PHE 38 Cb 0.99 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 1pg4 h PHE 38 CO 0.15 -0.44 -0.23 -1.49 -2.23 0.00 0.00 178.31 174.06 1pg4 h TRP 39 N -0.70 0.00 -0.63 0.41 4.06 -0.74 -1.01 115.95 117.34 1pg4 h TRP 39 Ca -0.04 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.85 1pg4 h TRP 39 Cb 0.59 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.73 1pg4 h TRP 39 CO -0.13 0.23 0.14 0.78 -3.56 0.00 0.00 178.44 175.90 1pg4 h GLY 40 N 2.67 1.07 0.65 1.49 0.00 -0.85 0.75 103.07 108.85 1pg4 h GLY 40 Ca -0.00 -0.66 -0.19 0.00 0.00 0.00 0.00 47.33 46.48 1pg4 h GLY 40 CO 0.03 0.61 -0.83 0.83 0.00 0.00 0.00 176.54 177.19 1pg4 h GLU 41 N 0.95 0.29 0.00 4.80 5.08 -1.16 -3.34 114.58 121.19 1pg4 h GLU 41 Ca 0.20 -0.49 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 1pg4 h GLU 41 Cb 0.36 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1pg4 h GLU 41 CO 0.00 1.23 -0.18 0.37 -1.00 0.00 0.00 179.01 179.43 1pg4 h GLN 42 N -0.39 0.00 0.00 2.33 5.75 -1.11 -2.42 115.11 119.27 1pg4 h GLN 42 Ca -0.15 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.35 1pg4 h GLN 42 Cb 1.63 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.18 1pg4 h GLN 42 CO 0.14 0.18 0.00 0.41 -2.65 0.00 0.00 178.83 176.91 1pg4 n GLY 43 N -0.55 -1.00 0.00 2.39 0.00 0.25 -1.66 105.19 104.62 1pg4 n GLY 43 Ca -0.02 0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.27 1pg4 n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pg4 n LYS 44 N -2.27 0.74 0.20 1.61 4.76 -0.91 -2.52 118.16 119.77 1pg4 n LYS 44 Ca -0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.58 1pg4 n LYS 44 Cb 0.09 -1.39 0.64 0.00 -1.84 0.00 0.00 35.03 32.53 1pg4 n LYS 44 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1pg4 h ILE 45 N 0.00 0.00 -2.32 -0.18 2.10 -1.55 -3.42 117.51 112.14 1pg4 h ILE 45 Ca 0.00 -0.28 -0.55 0.00 1.08 0.00 0.00 64.86 65.11 1pg4 h ILE 45 Cb 0.00 1.09 -0.08 0.00 -1.09 0.00 0.00 36.82 36.74 1pg4 h ILE 45 CO 0.00 0.00 -0.61 -0.76 -1.08 0.00 0.00 178.15 175.70 1pg4 s LEU 46 N -5.21 3.40 -0.12 2.19 1.43 -1.05 -5.01 118.68 114.32 1pg4 s LEU 46 Ca 0.02 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.44 1pg4 s LEU 46 Cb 0.09 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1pg4 s LEU 46 CO 0.42 0.01 0.51 -1.81 0.23 0.00 0.00 176.35 175.71 1pg4 s ASP 47 N -3.59 6.72 -0.08 2.29 -0.00 -1.26 -5.05 116.67 115.70 1pg4 s ASP 47 Ca 0.31 0.86 0.01 0.00 -0.00 0.00 0.00 52.55 53.73 1pg4 s ASP 47 Cb -0.07 -2.30 -0.03 0.00 -0.00 0.00 0.00 42.92 40.52 1pg4 s ASP 47 CO 0.21 -0.03 -0.10 0.26 -0.00 0.00 0.00 175.17 175.52 1pg4 s TRP 48 N 0.71 2.86 0.14 4.23 0.52 -1.26 -4.67 118.94 121.47 1pg4 s TRP 48 Ca 0.28 -0.15 -0.08 0.00 0.02 0.00 0.00 56.10 56.16 1pg4 s TRP 48 Cb -0.15 -1.73 -0.06 0.00 -1.15 0.00 0.00 33.47 30.38 1pg4 s TRP 48 CO 0.11 0.18 1.37 0.82 0.02 0.00 0.00 176.95 179.45 1pg4 h ILE 49 N 4.53 1.31 -3.49 2.03 2.04 -1.27 -3.42 117.51 119.24 1pg4 h ILE 49 Ca -0.43 -1.99 -0.38 0.00 1.00 0.00 0.00 64.86 63.07 1pg4 h ILE 49 Cb 1.17 1.97 -0.34 0.00 -0.74 0.00 0.00 36.82 38.89 1pg4 h ILE 49 CO 0.53 0.62 -0.76 0.42 0.00 0.00 0.00 178.15 178.96 1pg4 s THR 50 N -3.76 0.36 0.54 -0.27 -4.23 -1.15 -4.98 115.64 102.15 1pg4 s THR 50 Ca -0.09 -0.03 -0.21 0.00 -1.18 0.00 0.00 61.69 60.19 1pg4 s THR 50 Cb 0.10 -0.42 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 1pg4 s THR 50 CO 0.88 0.18 1.25 -2.16 -0.54 0.00 0.00 174.62 174.23 1pg4 s PRO 51 N 0.93 3.27 0.45 3.99 0.04 -1.26 -1.83 135.00 140.59 1pg4 s PRO 51 Ca -0.11 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 1pg4 s PRO 51 Cb -0.14 -2.19 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1pg4 s PRO 51 CO -0.01 -1.00 0.81 1.52 0.04 0.00 0.00 177.00 178.36 1pg4 s TYR 52 N -1.48 3.51 -0.01 0.56 -0.85 -1.26 -4.34 117.35 113.49 1pg4 s TYR 52 Ca 0.71 1.02 -0.06 0.00 -0.52 0.00 0.00 57.07 58.22 1pg4 s TYR 52 Cb -0.33 -2.44 -0.02 0.00 0.38 0.00 0.00 41.96 39.54 1pg4 s TYR 52 CO 0.39 -0.22 -0.13 0.94 -1.52 0.00 0.00 175.55 175.01 1pg4 n GLN 53 N -1.72 0.19 -2.66 -3.49 -0.06 -1.26 -4.92 117.38 103.47 1pg4 n GLN 53 Ca 0.02 0.08 -0.40 0.00 -2.00 0.00 0.00 57.00 54.71 1pg4 n GLN 53 Cb 0.54 -0.84 -0.05 0.00 -4.06 0.00 0.00 30.24 25.83 1pg4 n GLN 53 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1pg4 s LYS 54 N -2.32 4.72 0.00 3.69 1.02 -1.26 -5.00 119.74 120.60 1pg4 s LYS 54 Ca -0.11 1.57 0.00 0.00 0.02 0.00 0.00 55.97 57.45 1pg4 s LYS 54 Cb 0.02 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1pg4 s LYS 54 CO 0.16 0.36 0.00 0.28 -0.92 0.00 0.00 175.35 175.23 1pg4 n VAL 55 N 1.21 0.00 -3.33 3.17 0.31 -1.26 -3.24 118.33 115.19 1pg4 n VAL 55 Ca -0.01 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 1pg4 n VAL 55 Cb 0.47 -0.76 -0.07 0.00 -0.91 0.00 0.00 33.84 32.56 1pg4 n VAL 55 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pg4 s LYS 56 N 0.00 4.19 -0.44 5.55 2.20 -1.26 -1.02 119.74 128.95 1pg4 s LYS 56 Ca 0.00 0.30 0.05 0.00 -0.36 0.00 0.00 55.97 55.96 1pg4 s LYS 56 Cb 0.00 -3.54 0.18 0.00 -1.51 0.00 0.00 37.83 32.96 1pg4 s LYS 56 CO 0.00 -0.08 0.46 -1.71 -0.36 0.00 0.00 175.35 173.67 1pg4 n ASN 57 N 4.57 -1.20 -4.30 1.43 5.15 -0.66 -5.03 115.26 115.21 1pg4 n ASN 57 Ca -0.07 -2.55 -0.16 0.00 -0.60 0.00 0.00 54.58 51.20 1pg4 n ASN 57 Cb 0.51 0.05 -0.10 0.00 -0.53 0.00 0.00 39.78 39.71 1pg4 n ASN 57 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1pg4 s THR 58 N 0.16 1.21 -0.24 -0.44 -4.23 -1.26 -1.83 115.64 109.02 1pg4 s THR 58 Ca 0.32 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.60 1pg4 s THR 58 Cb 0.05 -2.08 0.07 0.00 1.34 0.00 0.00 72.50 71.88 1pg4 s THR 58 CO -0.16 -0.56 0.59 -0.55 -0.54 0.00 0.00 174.62 173.40 1pg4 s SER 59 N -3.25 -0.74 -0.18 3.99 0.15 0.76 -4.98 113.70 109.45 1pg4 s SER 59 Ca 0.22 1.27 0.16 0.00 0.70 0.00 0.00 55.95 58.29 1pg4 s SER 59 Cb 0.03 1.18 0.62 0.00 -1.71 0.00 0.00 66.02 66.15 1pg4 s SER 59 CO 0.05 -0.22 1.53 0.49 1.20 0.00 0.00 173.24 176.29 1pg4 n PHE 60 N 3.82 1.30 -1.65 3.44 0.99 -1.26 -1.43 117.46 122.68 1pg4 n PHE 60 Ca -0.19 -0.79 -0.45 0.00 -0.00 0.00 0.00 57.45 56.03 1pg4 n PHE 60 Cb 0.57 -0.35 -0.02 0.00 -1.00 0.00 0.00 39.48 38.68 1pg4 n PHE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1pg4 n ALA 61 N 0.03 0.60 -1.64 4.37 0.00 -1.26 -3.59 120.51 119.03 1pg4 n ALA 61 Ca 0.23 0.40 -0.51 0.00 0.00 0.00 0.00 53.44 53.56 1pg4 n ALA 61 Cb 0.96 -2.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 1pg4 n ALA 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pg4 n PRO 62 N 1.27 1.54 -1.16 0.00 -0.02 -1.26 -0.89 135.00 134.48 1pg4 n PRO 62 Ca 0.10 0.56 -0.07 0.00 -2.02 0.00 0.00 63.50 62.07 1pg4 n PRO 62 Cb 0.32 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1pg4 n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pg4 n GLY 63 N 3.16 0.66 2.62 -1.23 0.00 -1.26 -4.77 105.19 104.35 1pg4 n GLY 63 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1pg4 n GLY 63 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pg4 n ASN 64 N -0.92 -0.27 -4.72 1.61 3.02 -0.07 -5.10 115.26 108.81 1pg4 n ASN 64 Ca -0.07 -2.79 -0.41 0.00 -0.03 0.00 0.00 54.58 51.28 1pg4 n ASN 64 Cb 0.53 0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.96 1pg4 n ASN 64 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pg4 s VAL 65 N -1.46 4.80 -0.08 2.41 1.01 -1.14 -4.04 120.40 121.89 1pg4 s VAL 65 Ca 0.27 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 64.15 1pg4 s VAL 65 Cb 0.40 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.57 1pg4 s VAL 65 CO -0.03 0.23 0.17 -0.55 0.00 0.00 0.00 175.10 174.91 1pg4 s SER 66 N 0.64 0.44 -0.16 3.32 0.15 -0.51 -5.01 113.70 112.58 1pg4 s SER 66 Ca 0.47 0.35 -0.00 0.00 0.70 0.00 0.00 55.95 57.48 1pg4 s SER 66 Cb -0.21 0.29 0.04 0.00 -1.71 0.00 0.00 66.02 64.43 1pg4 s SER 66 CO 0.27 -0.21 -0.08 -0.63 1.20 0.00 0.00 173.24 173.78 1pg4 s ILE 67 N 1.96 1.27 -0.00 6.45 1.01 -1.26 -0.17 121.20 130.46 1pg4 s ILE 67 Ca -0.01 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1pg4 s ILE 67 Cb -0.12 -1.37 0.00 0.00 0.01 0.00 0.00 42.46 40.99 1pg4 s ILE 67 CO -0.06 0.22 -0.02 -0.54 0.00 0.00 0.00 174.94 174.54 1pg4 s LYS 68 N 1.57 0.14 -0.01 2.79 1.02 -0.76 -4.93 119.74 119.56 1pg4 s LYS 68 Ca 0.02 -0.05 0.01 0.00 0.02 0.00 0.00 55.97 55.96 1pg4 s LYS 68 Cb -0.15 -0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1pg4 s LYS 68 CO -0.08 0.03 -0.01 -1.58 -0.92 0.00 0.00 175.35 172.78 1pg4 s TRP 69 N 0.01 0.19 -0.90 3.18 0.52 -1.26 -1.66 118.94 119.03 1pg4 s TRP 69 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 56.10 56.11 1pg4 s TRP 69 Cb -0.01 -0.18 0.00 0.00 -1.15 0.00 0.00 33.47 32.13 1pg4 s TRP 69 CO -0.00 -0.03 0.00 0.66 0.02 0.00 0.00 176.95 177.60 1pg4 n TYR 70 N 3.33 -1.39 -0.38 -1.98 4.02 -0.19 -4.49 117.16 116.08 1pg4 n TYR 70 Ca -0.16 0.00 0.36 0.00 -0.01 0.00 0.00 57.90 58.08 1pg4 n TYR 70 Cb 0.57 -2.42 0.72 0.00 -0.02 0.00 0.00 39.34 38.18 1pg4 n TYR 70 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 176.86 176.90 1pg4 h GLU 71 N 0.00 0.06 -0.01 -0.72 4.11 -1.80 -0.12 114.58 116.10 1pg4 h GLU 71 Ca -0.24 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1pg4 h GLU 71 Cb 1.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1pg4 h GLU 71 CO 0.29 0.04 -0.23 -0.40 0.07 0.00 0.00 179.01 178.78 1pg4 n ASP 72 N -4.25 1.44 -4.89 3.06 5.75 -1.26 -4.39 116.55 112.00 1pg4 n ASP 72 Ca 0.29 -1.20 -0.29 0.00 -0.01 0.00 0.00 54.79 53.58 1pg4 n ASP 72 Cb 1.30 0.16 -0.02 0.00 -1.03 0.00 0.00 41.12 41.54 1pg4 n ASP 72 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1pg4 s GLY 73 N -2.37 1.73 0.09 6.12 0.00 -0.06 -4.67 107.32 108.17 1pg4 s GLY 73 Ca 0.26 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.70 1pg4 s GLY 73 CO 0.48 -0.17 -0.17 -0.51 0.00 0.00 0.00 173.10 172.74 1pg4 s THR 74 N -2.55 1.38 0.22 0.90 -4.23 -0.76 -1.29 115.64 109.30 1pg4 s THR 74 Ca 0.49 -1.46 -0.16 0.00 -1.18 0.00 0.00 61.69 59.39 1pg4 s THR 74 Cb -0.10 -1.33 0.06 0.00 1.34 0.00 0.00 72.50 72.47 1pg4 s THR 74 CO 0.38 -0.19 0.78 0.00 -0.54 0.00 0.00 174.62 175.04 1pg4 n LEU 75 N 1.09 0.00 -3.71 4.79 -0.00 0.35 -0.69 117.00 118.83 1pg4 n LEU 75 Ca -0.20 -1.57 -0.19 0.00 -0.00 0.00 0.00 56.01 54.06 1pg4 n LEU 75 Cb 0.54 2.65 -0.17 0.00 -0.00 0.00 0.00 43.42 46.44 1pg4 n LEU 75 CO 0.23 -0.52 -0.35 0.21 -0.00 0.00 0.00 177.39 176.96 1pg4 s ASN 76 N -2.90 0.92 0.22 1.45 2.47 -1.26 -0.19 114.94 115.66 1pg4 s ASN 76 Ca 0.17 0.05 -0.07 0.00 0.42 0.00 0.00 52.86 53.42 1pg4 s ASN 76 Cb -0.03 -0.17 0.19 0.00 -1.45 0.00 0.00 41.25 39.80 1pg4 s ASN 76 CO 0.07 -0.21 1.81 0.25 -3.72 0.00 0.00 177.10 175.30 1pg4 h LEU 77 N 8.11 1.10 -0.73 3.21 6.46 -1.94 -2.45 115.31 129.08 1pg4 h LEU 77 Ca -0.22 -0.15 -0.09 0.00 -0.12 0.00 0.00 57.88 57.31 1pg4 h LEU 77 Cb 1.12 -0.28 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 1pg4 h LEU 77 CO 0.25 0.94 0.03 0.00 -0.62 0.00 0.00 178.44 179.04 1pg4 h ALA 78 N 1.22 0.93 -0.42 1.25 0.00 -1.84 -1.21 119.26 119.19 1pg4 h ALA 78 Ca 0.28 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1pg4 h ALA 78 Cb 0.15 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1pg4 h ALA 78 CO -0.03 0.64 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1pg4 h ALA 79 N 1.09 1.31 0.00 0.00 0.00 -1.90 0.96 119.26 120.71 1pg4 h ALA 79 Ca 0.17 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1pg4 h ALA 79 Cb 0.50 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1pg4 h ALA 79 CO 0.02 0.48 -0.58 -0.91 0.00 0.00 0.00 179.25 178.26 1pg4 h ASN 80 N 0.63 0.00 0.30 0.00 2.35 -0.96 -1.36 115.58 116.53 1pg4 h ASN 80 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1pg4 h ASN 80 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1pg4 h ASN 80 CO 0.01 0.58 -0.90 0.00 -1.65 0.00 0.00 177.43 175.47 1pg4 n LEU 82 N -1.69 0.00 -0.32 0.00 4.77 0.30 -4.60 117.00 115.46 1pg4 n LEU 82 Ca 0.03 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.05 1pg4 n LEU 82 Cb 0.38 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.57 1pg4 n LEU 82 CO 0.40 -0.26 0.67 0.44 -1.33 0.00 0.00 177.39 177.31 1pg4 h ASP 83 N 0.00 -0.90 0.45 -1.43 3.45 -1.58 -0.72 116.42 115.69 1pg4 h ASP 83 Ca 0.00 0.27 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1pg4 h ASP 83 Cb 0.00 0.57 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1pg4 h ASP 83 CO 0.00 -0.29 0.00 -2.11 -1.57 0.00 0.00 179.24 175.27 1pg4 n ARG 84 N -5.56 0.06 0.00 3.56 1.85 -0.53 -2.17 116.66 113.88 1pg4 n ARG 84 Ca 0.13 0.36 0.11 0.00 -1.00 0.00 0.00 57.85 57.46 1pg4 n ARG 84 Cb 0.44 -1.63 0.05 0.00 -1.05 0.00 0.00 32.46 30.27 1pg4 n ARG 84 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1pg4 n HIS 85 N -1.76 0.00 0.08 2.89 8.25 -0.28 -4.58 115.22 119.82 1pg4 n HIS 85 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 1pg4 n HIS 85 Cb 0.15 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.17 1pg4 n HIS 85 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1pg4 h LEU 86 N 3.29 -0.16 -0.60 2.41 3.38 -1.42 0.20 115.31 122.41 1pg4 h LEU 86 Ca 0.00 -0.24 0.09 0.00 0.09 0.00 0.00 57.88 57.82 1pg4 h LEU 86 Cb 0.84 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.57 1pg4 h LEU 86 CO 0.00 0.17 0.22 -0.61 0.09 0.00 0.00 178.44 178.30 1pg4 h GLN 87 N -0.51 0.39 0.00 1.13 4.15 -1.81 0.96 115.11 119.42 1pg4 h GLN 87 Ca -0.02 -0.02 -0.31 0.00 0.77 0.00 0.00 58.65 59.06 1pg4 h GLN 87 Cb 0.40 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.94 1pg4 h GLN 87 CO 0.03 0.26 -2.23 0.39 -1.93 0.00 0.00 178.83 175.35 1pg4 n GLU 88 N -5.00 0.68 -1.56 1.69 1.02 -1.25 -4.66 120.64 111.55 1pg4 n GLU 88 Ca 0.08 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.23 1pg4 n GLU 88 Cb 0.26 -1.57 0.08 0.00 -0.02 0.00 0.00 31.44 30.20 1pg4 n GLU 88 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1pg4 n ASN 89 N -2.74 1.94 -0.05 1.62 4.13 0.65 -4.85 115.26 115.96 1pg4 n ASN 89 Ca -0.27 -2.85 0.05 0.00 1.68 0.00 0.00 54.58 53.19 1pg4 n ASN 89 Cb 1.07 -0.41 0.42 0.00 -1.54 0.00 0.00 39.78 39.32 1pg4 n ASN 89 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1pg4 h GLY 90 N 1.49 0.66 1.49 7.41 0.00 -0.41 -2.02 103.07 111.68 1pg4 h GLY 90 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1pg4 h GLY 90 CO 0.19 0.20 -0.26 1.22 0.00 0.00 0.00 176.54 177.89 1pg4 n ASP 91 N -4.47 0.28 -4.77 0.19 8.00 -1.26 -1.53 116.55 113.00 1pg4 n ASP 91 Ca 0.06 0.13 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 1pg4 n ASP 91 Cb 0.13 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.10 1pg4 n ASP 91 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1pg4 s ARG 92 N -3.01 3.89 0.01 -1.24 3.52 -0.76 -4.79 118.95 116.58 1pg4 s ARG 92 Ca 0.12 1.84 -0.30 0.00 -0.13 0.00 0.00 55.73 57.26 1pg4 s ARG 92 Cb 0.18 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.97 1pg4 s ARG 92 CO 0.62 -0.45 1.35 0.99 -0.81 0.00 0.00 175.30 177.00 1pg4 s THR 93 N -1.46 3.78 -0.19 4.11 2.01 -1.26 -1.33 115.64 121.29 1pg4 s THR 93 Ca 0.60 1.18 -0.20 0.00 0.31 0.00 0.00 61.69 63.58 1pg4 s THR 93 Cb -0.30 -3.76 -0.21 0.00 0.01 0.00 0.00 72.50 68.24 1pg4 s THR 93 CO 0.38 0.01 0.28 0.00 -0.69 0.00 0.00 174.62 174.60 1pg4 h ALA 94 N 7.60 0.26 -3.38 7.40 0.00 -0.62 -3.36 119.26 127.16 1pg4 h ALA 94 Ca -0.38 -1.18 -0.54 0.00 0.00 0.00 0.00 54.91 52.81 1pg4 h ALA 94 Cb 1.18 0.68 -0.34 0.00 0.00 0.00 0.00 17.79 19.32 1pg4 h ALA 94 CO 0.89 0.73 -0.82 0.42 0.00 0.00 0.00 179.25 180.46 1pg4 s ILE 95 N -2.38 1.27 -0.27 0.00 1.01 -0.73 -0.59 121.20 119.51 1pg4 s ILE 95 Ca -0.27 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 59.74 1pg4 s ILE 95 Cb 0.05 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 1pg4 s ILE 95 CO 0.62 0.39 0.12 -0.63 0.00 0.00 0.00 174.94 175.44 1pg4 s ILE 96 N 0.72 4.63 -0.22 2.92 1.01 0.16 -0.86 121.20 129.56 1pg4 s ILE 96 Ca -0.13 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.27 1pg4 s ILE 96 Cb -0.16 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1pg4 s ILE 96 CO 0.03 0.24 0.08 0.86 0.00 0.00 0.00 174.94 176.14 1pg4 s TRP 97 N 1.65 3.16 -0.24 3.97 -0.00 0.40 -0.32 118.94 127.56 1pg4 s TRP 97 Ca 0.06 -0.15 -0.03 0.00 -0.00 0.00 0.00 56.10 55.98 1pg4 s TRP 97 Cb -0.16 -2.18 0.01 0.00 -0.00 0.00 0.00 33.47 31.14 1pg4 s TRP 97 CO 0.06 -0.11 -0.04 -2.00 -0.00 0.00 0.00 176.95 174.86 1pg4 s GLU 98 N 1.07 3.09 0.85 5.86 2.56 -0.62 -0.82 118.70 130.70 1pg4 s GLU 98 Ca 0.04 -0.82 -0.12 0.00 0.00 0.00 0.00 54.97 54.08 1pg4 s GLU 98 Cb -0.14 -3.04 0.10 0.00 2.00 0.00 0.00 34.13 33.05 1pg4 s GLU 98 CO 0.03 -0.32 1.10 0.20 -0.56 0.00 0.00 175.26 175.71 1pg4 s GLY 99 N 1.41 1.61 0.36 -1.50 0.00 0.57 -0.71 107.32 109.06 1pg4 s GLY 99 Ca 0.03 -0.18 0.07 0.00 0.00 0.00 0.00 44.72 44.64 1pg4 s GLY 99 CO -0.03 0.29 1.91 -1.80 0.00 0.00 0.00 173.10 173.47 1pg4 h ASP 100 N -1.34 0.67 -3.85 1.64 3.58 -1.86 -3.34 116.42 111.93 1pg4 h ASP 100 Ca -0.49 0.02 -0.64 0.00 0.42 0.00 0.00 57.03 56.34 1pg4 h ASP 100 Cb 1.28 -0.12 -0.17 0.00 1.72 0.00 0.00 39.33 42.04 1pg4 h ASP 100 CO 0.57 0.39 -0.47 -0.62 -2.88 0.00 0.00 179.24 176.23 1pg4 s ASP 101 N -5.99 6.06 0.44 2.28 -1.08 -1.26 -4.79 116.67 112.33 1pg4 s ASP 101 Ca -0.10 -0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.14 1pg4 s ASP 101 Cb 0.21 -2.14 1.26 0.00 -1.46 0.00 0.00 42.92 40.79 1pg4 s ASP 101 CO 0.78 -0.10 1.67 0.00 0.52 0.00 0.00 175.17 178.05 1pg4 h THR 102 N 5.39 0.00 0.00 1.71 1.03 -1.97 0.14 112.91 119.21 1pg4 h THR 102 Ca -0.34 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1pg4 h THR 102 Cb 1.18 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1pg4 h THR 102 CO 0.57 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.54 1pg4 n SER 103 N -2.42 0.48 -4.51 0.00 3.41 -1.26 -4.64 113.62 104.68 1pg4 n SER 103 Ca -0.02 0.61 -0.34 0.00 -0.26 0.00 0.00 58.87 58.86 1pg4 n SER 103 Cb 0.22 -0.71 -0.12 0.00 -0.26 0.00 0.00 64.21 63.34 1pg4 n SER 103 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1pg4 s GLN 104 N -3.20 3.70 0.01 4.33 -1.52 0.47 -5.07 119.66 118.38 1pg4 s GLN 104 Ca 0.06 -0.50 -0.29 0.00 -1.95 0.00 0.00 55.36 52.68 1pg4 s GLN 104 Cb 0.10 -2.95 0.10 0.00 -0.22 0.00 0.00 33.01 30.04 1pg4 s GLN 104 CO 0.38 0.24 0.95 -1.54 -0.25 0.00 0.00 175.29 175.08 1pg4 s SER 105 N 0.38 -0.29 0.01 5.90 1.04 -1.26 -0.32 113.70 119.16 1pg4 s SER 105 Ca -0.03 -0.09 -0.11 0.00 0.48 0.00 0.00 55.95 56.20 1pg4 s SER 105 Cb -0.14 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1pg4 s SER 105 CO 0.03 -0.62 0.23 -0.54 0.98 0.00 0.00 173.24 173.32 1pg4 s LYS 106 N -3.05 0.64 -0.24 4.02 1.02 0.00 -4.98 119.74 117.16 1pg4 s LYS 106 Ca 0.07 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1pg4 s LYS 106 Cb -0.01 0.27 0.05 0.00 -0.52 0.00 0.00 37.83 37.63 1pg4 s LYS 106 CO -0.06 -0.18 -0.11 -1.01 -0.92 0.00 0.00 175.35 173.07 1pg4 s HIS 107 N -1.77 2.92 -0.32 3.18 3.76 -1.26 -0.45 115.29 121.35 1pg4 s HIS 107 Ca -0.11 -2.04 -0.08 0.00 -0.15 0.00 0.00 55.06 52.68 1pg4 s HIS 107 Cb -0.04 -1.82 0.02 0.00 1.11 0.00 0.00 32.58 31.84 1pg4 s HIS 107 CO 0.01 -0.83 0.11 0.42 -0.85 0.00 0.00 174.74 173.60 1pg4 s ILE 108 N 1.22 4.10 0.81 0.60 1.01 -0.03 -5.01 121.20 123.89 1pg4 s ILE 108 Ca -0.06 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.72 1pg4 s ILE 108 Cb -0.18 -3.17 0.08 0.00 0.01 0.00 0.00 42.46 39.19 1pg4 s ILE 108 CO -0.07 -0.01 1.09 -0.94 0.00 0.00 0.00 174.94 175.01 1pg4 s SER 109 N 1.50 4.20 0.33 3.58 1.04 -1.26 0.04 113.70 123.12 1pg4 s SER 109 Ca 0.02 1.62 0.01 0.00 0.48 0.00 0.00 55.95 58.08 1pg4 s SER 109 Cb -0.18 -2.33 0.56 0.00 0.10 0.00 0.00 66.02 64.17 1pg4 s SER 109 CO 0.04 -2.20 1.99 1.88 0.98 0.00 0.00 173.24 175.92 1pg4 h TYR 110 N -1.24 0.91 -0.45 5.02 -1.99 -1.11 0.48 116.97 118.59 1pg4 h TYR 110 Ca -0.46 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.22 1pg4 h TYR 110 Cb 1.25 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.66 1pg4 h TYR 110 CO 0.51 0.56 0.01 -0.09 -0.00 0.00 0.00 178.16 179.15 1pg4 h ARG 111 N 0.97 0.79 -0.37 4.88 2.43 -1.55 0.17 114.38 121.69 1pg4 h ARG 111 Ca 0.28 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1pg4 h ARG 111 Cb -0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1pg4 h ARG 111 CO -0.07 0.85 -0.01 0.93 -1.51 0.00 0.00 179.97 180.17 1pg4 h GLU 112 N 0.63 0.66 -0.65 0.20 5.08 -1.66 -1.04 114.58 117.80 1pg4 h GLU 112 Ca 0.13 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1pg4 h GLU 112 Cb 0.49 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1pg4 h GLU 112 CO 0.02 0.77 0.25 1.25 -1.00 0.00 0.00 179.01 180.30 1pg4 h LEU 113 N 0.48 0.91 -0.48 1.33 5.85 -0.82 -1.43 115.31 121.15 1pg4 h LEU 113 Ca 0.11 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1pg4 h LEU 113 Cb 0.47 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1pg4 h LEU 113 CO 0.02 0.84 0.31 -0.74 -0.34 0.00 0.00 178.44 178.52 1pg4 h HIS 114 N 0.92 0.63 -0.36 1.25 2.76 -0.82 0.01 115.15 119.55 1pg4 h HIS 114 Ca 0.22 0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 1pg4 h HIS 114 Cb 0.22 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 28.94 1pg4 h HIS 114 CO 0.01 0.42 0.19 -0.09 -1.30 0.00 0.00 177.93 177.17 1pg4 h ARG 115 N 0.65 0.38 -0.22 5.26 2.43 -0.74 -0.07 114.38 122.07 1pg4 h ARG 115 Ca 0.18 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1pg4 h ARG 115 Cb -0.04 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1pg4 h ARG 115 CO -0.04 0.25 -0.35 -0.44 -1.51 0.00 0.00 179.97 177.89 1pg4 h ASP 116 N 0.40 0.48 -0.26 -3.80 3.32 -1.01 -1.32 116.42 114.22 1pg4 h ASP 116 Ca 0.15 -0.19 -0.11 0.00 0.02 0.00 0.00 57.03 56.89 1pg4 h ASP 116 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1pg4 h ASP 116 CO -0.08 0.80 -0.21 0.58 -1.72 0.00 0.00 179.24 178.61 1pg4 h VAL 117 N 0.39 1.27 -0.41 -1.35 2.07 -0.62 0.25 116.25 117.85 1pg4 h VAL 117 Ca 0.04 -1.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.19 1pg4 h VAL 117 Cb 0.80 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1pg4 h VAL 117 CO 0.07 0.43 -0.07 0.00 0.02 0.00 0.00 177.57 178.02 1pg4 h ARG 119 N 0.59 0.94 -0.00 0.00 3.08 -1.02 -2.29 114.38 115.66 1pg4 h ARG 119 Ca 0.11 -0.27 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 1pg4 h ARG 119 Cb 0.59 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1pg4 h ARG 119 CO 0.03 0.92 -0.63 0.35 -1.07 0.00 0.00 179.97 179.58 1pg4 h PHE 120 N 0.83 0.02 -0.36 3.04 3.57 -0.84 -1.39 116.94 121.81 1pg4 h PHE 120 Ca 0.16 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1pg4 h PHE 120 Cb 0.46 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 1pg4 h PHE 120 CO 0.03 0.64 0.20 0.00 -2.23 0.00 0.00 178.31 176.95 1pg4 h ALA 121 N 1.36 0.47 -0.30 2.41 0.00 -0.71 -0.80 119.26 121.69 1pg4 h ALA 121 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1pg4 h ALA 121 Cb 1.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1pg4 h ALA 121 CO 0.08 -0.01 -0.12 -0.91 0.00 0.00 0.00 179.25 178.30 1pg4 h ASN 122 N 0.46 0.50 -0.48 0.00 2.35 -1.21 -1.39 115.58 115.81 1pg4 h ASN 122 Ca 0.13 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pg4 h ASN 122 Cb 0.06 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1pg4 h ASN 122 CO -0.02 0.65 0.30 0.74 -1.65 0.00 0.00 177.43 177.45 1pg4 h THR 123 N 0.48 1.14 -0.22 2.81 2.02 -0.72 0.16 112.91 118.58 1pg4 h THR 123 Ca 0.09 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1pg4 h THR 123 Cb 0.49 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1pg4 h THR 123 CO 0.03 0.14 0.05 -0.07 0.37 0.00 0.00 175.52 176.04 1pg4 h LEU 124 N 0.64 0.33 -0.68 2.58 3.38 -0.80 -1.51 115.31 119.26 1pg4 h LEU 124 Ca 0.17 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1pg4 h LEU 124 Cb -0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1pg4 h LEU 124 CO -0.03 0.49 0.39 -0.07 0.09 0.00 0.00 178.44 179.31 1pg4 h LEU 125 N 0.16 0.83 -1.40 1.67 3.38 -1.03 -1.10 115.31 117.82 1pg4 h LEU 125 Ca 0.07 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1pg4 h LEU 125 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1pg4 h LEU 125 CO 0.00 0.67 -0.30 0.44 0.09 0.00 0.00 178.44 179.34 1pg4 h ASP 126 N 0.93 0.00 1.27 -0.43 3.32 -0.57 -2.02 116.42 118.91 1pg4 h ASP 126 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1pg4 h ASP 126 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1pg4 h ASP 126 CO -0.04 0.30 0.00 0.25 -1.72 0.00 0.00 179.24 178.03 1pg4 h LEU 127 N 0.00 0.00 0.00 1.55 5.85 -0.51 -3.46 115.31 118.73 1pg4 h LEU 127 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1pg4 h LEU 127 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1pg4 h LEU 127 CO 0.04 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1pg4 n GLY 128 N 0.80 1.00 3.72 3.75 0.00 -0.76 -5.09 105.19 108.61 1pg4 n GLY 128 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1pg4 n GLY 128 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pg4 s ILE 129 N -2.00 3.68 0.28 -0.61 -1.09 -0.49 -4.99 121.20 115.98 1pg4 s ILE 129 Ca 0.00 1.27 0.06 0.00 -2.23 0.00 0.00 60.65 59.75 1pg4 s ILE 129 Cb 0.00 -3.81 -0.06 0.00 -1.58 0.00 0.00 42.46 37.01 1pg4 s ILE 129 CO 0.00 0.13 -0.05 -0.54 -1.23 0.00 0.00 174.94 173.25 1pg4 s LYS 130 N 0.65 1.54 0.18 2.79 1.02 -1.26 -4.12 119.74 120.54 1pg4 s LYS 130 Ca 0.58 -1.78 -0.33 0.00 0.02 0.00 0.00 55.97 54.46 1pg4 s LYS 130 Cb -0.33 -1.10 -0.15 0.00 -0.52 0.00 0.00 37.83 35.73 1pg4 s LYS 130 CO 0.32 0.02 1.30 1.17 -0.92 0.00 0.00 175.35 177.24 1pg4 n LYS 131 N -0.58 1.54 0.00 1.68 4.81 -1.25 -1.25 118.16 123.11 1pg4 n LYS 131 Ca -0.05 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1pg4 n LYS 131 Cb 0.64 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1pg4 n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pg4 n GLY 132 N 2.24 3.20 3.77 3.14 0.00 -0.20 -4.91 105.19 112.44 1pg4 n GLY 132 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1pg4 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg4 s ASP 133 N -0.16 5.68 -0.14 1.61 1.01 -0.38 -4.57 116.67 119.72 1pg4 s ASP 133 Ca 0.00 2.18 -0.09 0.00 0.71 0.00 0.00 52.55 55.35 1pg4 s ASP 133 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1pg4 s ASP 133 CO 0.00 -1.25 0.17 -0.69 0.21 0.00 0.00 175.17 173.62 1pg4 s VAL 134 N -1.78 5.42 -0.18 -1.27 1.01 -1.26 -0.44 120.40 121.89 1pg4 s VAL 134 Ca 0.73 0.29 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1pg4 s VAL 134 Cb -0.24 -3.47 0.02 0.00 0.00 0.00 0.00 36.38 32.69 1pg4 s VAL 134 CO 0.28 0.53 -0.17 -0.69 0.00 0.00 0.00 175.10 175.05 1pg4 s VAL 135 N -0.41 1.92 0.06 2.92 1.01 -0.02 -2.55 120.40 123.32 1pg4 s VAL 135 Ca 0.14 -0.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1pg4 s VAL 135 Cb -0.12 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1pg4 s VAL 135 CO 0.03 0.46 0.91 0.00 0.00 0.00 0.00 175.10 176.50 1pg4 s ALA 136 N 1.33 3.25 -0.20 5.51 0.00 0.19 -0.26 121.76 131.58 1pg4 s ALA 136 Ca 0.04 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1pg4 s ALA 136 Cb -0.14 -3.22 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1pg4 s ALA 136 CO -0.12 -0.07 -0.11 0.42 0.00 0.00 0.00 175.76 175.88 1pg4 s ILE 137 N 0.33 1.69 -0.68 0.00 1.01 -0.29 -0.68 121.20 122.57 1pg4 s ILE 137 Ca 0.46 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 60.13 1pg4 s ILE 137 Cb -0.22 -1.75 0.17 0.00 0.01 0.00 0.00 42.46 40.67 1pg4 s ILE 137 CO 0.27 0.18 0.49 0.00 0.00 0.00 0.00 174.94 175.88 1pg4 n TYR 138 N 4.67 2.83 -4.37 3.97 9.36 -0.05 0.63 117.16 134.21 1pg4 n TYR 138 Ca -0.15 -4.21 -0.23 0.00 3.32 0.00 0.00 57.90 56.63 1pg4 n TYR 138 Cb 0.46 -0.53 -0.11 0.00 -0.63 0.00 0.00 39.34 38.53 1pg4 n TYR 138 CO 0.00 0.00 0.00 -1.64 0.22 0.00 0.00 176.86 175.44 1pg4 s MET 139 N -1.34 1.37 0.39 2.98 -1.94 -1.26 -4.04 119.30 115.46 1pg4 s MET 139 Ca 0.26 -1.49 -0.04 0.00 -1.71 0.00 0.00 55.69 52.72 1pg4 s MET 139 Cb -0.03 -1.47 0.08 0.00 2.01 0.00 0.00 34.83 35.43 1pg4 s MET 139 CO -0.17 0.30 0.53 -0.35 -0.01 0.00 0.00 175.02 175.31 1pg4 n PRO 140 N 0.13 -0.14 -2.02 2.03 -0.04 -1.26 -4.39 135.00 129.32 1pg4 n PRO 140 Ca -0.12 -1.09 -0.42 0.00 -0.04 0.00 0.00 63.50 61.83 1pg4 n PRO 140 Cb 0.57 -0.46 0.00 0.00 -0.04 0.00 0.00 33.50 33.58 1pg4 n PRO 140 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1pg4 n MET 141 N -2.05 3.09 -4.31 0.54 2.81 -1.26 -4.71 117.12 111.23 1pg4 n MET 141 Ca 0.08 -2.95 -0.21 0.00 -1.81 0.00 0.00 57.70 52.81 1pg4 n MET 141 Cb 0.27 -3.22 -0.11 0.00 -0.71 0.00 0.00 33.22 29.45 1pg4 n MET 141 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pg4 s VAL 142 N 2.58 1.69 0.42 2.03 -7.23 -1.26 -4.06 120.40 114.56 1pg4 s VAL 142 Ca 0.46 -1.90 0.17 0.00 -1.81 0.00 0.00 61.98 58.90 1pg4 s VAL 142 Cb 0.11 -1.79 0.37 0.00 0.56 0.00 0.00 36.38 35.64 1pg4 s VAL 142 CO -0.04 -0.37 1.86 -0.65 -0.31 0.00 0.00 175.10 175.59 1pg4 h PRO 143 N 3.24 0.40 -0.12 4.82 0.11 -1.95 -1.18 132.00 137.32 1pg4 h PRO 143 Ca -0.41 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1pg4 h PRO 143 Cb 1.20 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 1pg4 h PRO 143 CO 0.52 0.27 0.12 0.93 -0.21 0.00 0.00 178.00 179.62 1pg4 h GLU 144 N 0.42 0.00 -0.54 1.05 3.07 -1.96 -0.58 114.58 116.04 1pg4 h GLU 144 Ca 0.45 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.26 1pg4 h GLU 144 Cb 1.11 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.00 1pg4 h GLU 144 CO -0.17 0.00 0.12 0.00 -1.40 0.00 0.00 179.01 177.56 1pg4 h ALA 145 N 1.88 0.71 -0.41 3.43 0.00 -1.49 -0.81 119.26 122.57 1pg4 h ALA 145 Ca 0.06 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.61 1pg4 h ALA 145 Cb 0.29 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pg4 h ALA 145 CO -0.00 0.42 -0.28 0.00 0.00 0.00 0.00 179.25 179.39 1pg4 h ALA 146 N 1.01 0.73 -0.37 0.00 0.00 -1.27 -1.69 119.26 117.66 1pg4 h ALA 146 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pg4 h ALA 146 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1pg4 h ALA 146 CO 0.00 0.66 0.25 0.28 0.00 0.00 0.00 179.25 180.44 1pg4 h VAL 147 N 0.74 1.10 -0.42 0.00 2.07 -1.00 -0.35 116.25 118.39 1pg4 h VAL 147 Ca 0.09 -0.18 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1pg4 h VAL 147 Cb 0.84 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1pg4 h VAL 147 CO 0.07 0.09 0.15 0.00 0.02 0.00 0.00 177.57 177.91 1pg4 h ALA 148 N 1.13 0.55 -0.15 1.67 0.00 -1.03 -0.23 119.26 121.20 1pg4 h ALA 148 Ca 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pg4 h ALA 148 Cb -0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1pg4 h ALA 148 CO -0.03 0.17 0.07 0.52 0.00 0.00 0.00 179.25 179.99 1pg4 h MET 149 N 0.53 0.22 -0.39 0.00 2.86 -1.08 -1.54 114.93 115.53 1pg4 h MET 149 Ca 0.14 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1pg4 h MET 149 Cb 0.23 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1pg4 h MET 149 CO -0.01 0.27 -0.03 -0.07 1.06 0.00 0.00 176.91 178.13 1pg4 h LEU 150 N 0.11 0.61 -0.62 1.22 3.38 -1.00 -1.93 115.31 117.09 1pg4 h LEU 150 Ca 0.05 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 1pg4 h LEU 150 Cb 0.12 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1pg4 h LEU 150 CO -0.01 0.70 -0.11 0.00 0.09 0.00 0.00 178.44 179.11 1pg4 h ALA 151 N 1.37 0.82 -0.20 1.53 0.00 -0.84 -0.14 119.26 121.79 1pg4 h ALA 151 Ca 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1pg4 h ALA 151 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pg4 h ALA 151 CO 0.02 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.99 1pg4 h ALA 153 N 0.88 1.27 -0.98 0.00 0.00 -1.21 0.16 119.26 119.38 1pg4 h ALA 153 Ca 0.06 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1pg4 h ALA 153 Cb 0.24 -0.40 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 1pg4 h ALA 153 CO -0.00 0.66 0.64 -0.09 0.00 0.00 0.00 179.25 180.47 1pg4 h ARG 154 N 1.34 1.22 -0.18 0.00 2.43 -0.79 -2.35 114.38 116.05 1pg4 h ARG 154 Ca 0.36 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1pg4 h ARG 154 Cb -0.12 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.15 1pg4 h ARG 154 CO -0.07 0.81 0.00 0.44 -1.51 0.00 0.00 179.97 179.63 1pg4 n ILE 155 N -4.45 0.22 -0.88 1.20 -5.35 -1.02 -4.37 119.36 104.71 1pg4 n ILE 155 Ca 0.13 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.10 1pg4 n ILE 155 Cb 0.08 0.90 0.00 0.00 -1.74 0.00 0.00 39.64 38.89 1pg4 n ILE 155 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pg4 n GLY 156 N 1.33 0.51 3.75 3.28 0.00 -0.53 -3.91 105.19 109.62 1pg4 n GLY 156 Ca 0.17 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 1pg4 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 s ALA 157 N -2.00 3.36 -0.33 4.61 0.00 0.46 -1.04 121.76 126.83 1pg4 s ALA 157 Ca 0.00 0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1pg4 s ALA 157 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1pg4 s ALA 157 CO 0.00 0.07 1.13 0.08 0.00 0.00 0.00 175.76 177.05 1pg4 s VAL 158 N -0.12 4.39 0.16 0.00 1.01 0.41 -3.98 120.40 122.28 1pg4 s VAL 158 Ca 0.39 1.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.79 1pg4 s VAL 158 Cb -0.21 -4.38 -0.07 0.00 0.00 0.00 0.00 36.38 31.72 1pg4 s VAL 158 CO 0.24 -0.53 0.62 -1.38 0.00 0.00 0.00 175.10 174.05 1pg4 s HIS 159 N 3.89 3.65 -0.53 5.22 -3.43 -1.10 -0.85 115.29 122.14 1pg4 s HIS 159 Ca 0.48 1.21 0.04 0.00 -0.80 0.00 0.00 55.06 55.99 1pg4 s HIS 159 Cb -0.13 -2.48 0.14 0.00 -1.43 0.00 0.00 32.58 28.68 1pg4 s HIS 159 CO 0.19 0.42 0.30 0.45 -2.00 0.00 0.00 174.74 174.09 1pg4 s SER 160 N -1.61 4.14 0.23 7.38 0.15 0.64 -1.63 113.70 123.00 1pg4 s SER 160 Ca 0.39 -3.06 -0.30 0.00 0.70 0.00 0.00 55.95 53.68 1pg4 s SER 160 Cb -0.16 -1.44 -0.09 0.00 -1.71 0.00 0.00 66.02 62.62 1pg4 s SER 160 CO 0.20 -0.21 1.04 -0.69 1.20 0.00 0.00 173.24 174.78 1pg4 s VAL 161 N -0.31 3.81 -0.13 4.45 1.01 -1.25 -1.14 120.40 126.83 1pg4 s VAL 161 Ca 0.19 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1pg4 s VAL 161 Cb -0.21 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1pg4 s VAL 161 CO -0.03 0.38 -0.13 -0.63 0.00 0.00 0.00 175.10 174.69 1pg4 s ILE 162 N -0.89 1.44 0.19 2.22 1.01 0.21 -4.69 121.20 120.69 1pg4 s ILE 162 Ca 0.45 -0.56 -0.32 0.00 0.00 0.00 0.00 60.65 60.21 1pg4 s ILE 162 Cb -0.29 -1.36 -0.15 0.00 0.01 0.00 0.00 42.46 40.67 1pg4 s ILE 162 CO 0.36 0.44 1.32 0.33 0.00 0.00 0.00 174.94 177.38 1pg4 n PHE 163 N 4.71 1.76 0.28 3.97 7.35 -1.26 -4.20 117.46 130.06 1pg4 n PHE 163 Ca -0.16 0.54 0.17 0.00 -0.76 0.00 0.00 57.45 57.23 1pg4 n PHE 163 Cb 0.50 -2.38 0.89 0.00 0.35 0.00 0.00 39.48 38.84 1pg4 n PHE 163 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1pg4 h GLY 164 N 4.04 0.00 1.63 7.13 0.00 -1.93 -1.76 103.07 112.17 1pg4 h GLY 164 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1pg4 h GLY 164 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1pg4 n GLY 165 N -1.19 -1.30 3.76 4.60 0.00 -1.26 -4.85 105.19 104.96 1pg4 n GLY 165 Ca -0.02 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1pg4 n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pg4 s PHE 166 N -2.63 3.32 0.84 1.61 0.40 -0.67 -4.05 117.98 116.80 1pg4 s PHE 166 Ca 0.26 1.58 -0.12 0.00 -0.60 0.00 0.00 56.93 58.05 1pg4 s PHE 166 Cb 0.20 -3.44 0.10 0.00 0.51 0.00 0.00 43.02 40.39 1pg4 s PHE 166 CO 0.46 -1.12 1.14 -1.54 0.70 0.00 0.00 175.22 174.86 1pg4 s SER 167 N -0.78 4.15 0.27 1.36 1.04 -0.57 -4.77 113.70 114.39 1pg4 s SER 167 Ca 0.48 1.00 -0.01 0.00 0.48 0.00 0.00 55.95 57.90 1pg4 s SER 167 Cb -0.34 -1.61 0.46 0.00 0.10 0.00 0.00 66.02 64.63 1pg4 s SER 167 CO 0.45 -2.15 1.86 -0.65 0.98 0.00 0.00 173.24 173.72 1pg4 h PRO 168 N -1.22 1.04 -0.50 4.02 0.11 -1.80 0.27 132.00 133.92 1pg4 h PRO 168 Ca -0.48 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1pg4 h PRO 168 Cb 1.31 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1pg4 h PRO 168 CO 0.63 0.69 0.27 1.49 -0.21 0.00 0.00 178.00 180.86 1pg4 h GLU 169 N 1.07 0.70 -0.63 1.05 4.57 -1.83 0.31 114.58 119.83 1pg4 h GLU 169 Ca 0.45 -0.09 -0.09 0.00 -1.18 0.00 0.00 59.36 58.45 1pg4 h GLU 169 Cb 0.31 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1pg4 h GLU 169 CO -0.21 0.56 0.03 0.00 -1.18 0.00 0.00 179.01 178.21 1pg4 h ALA 170 N 1.11 0.86 -0.42 2.92 0.00 -1.44 -1.22 119.26 121.06 1pg4 h ALA 170 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pg4 h ALA 170 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1pg4 h ALA 170 CO -0.03 0.67 0.22 0.28 0.00 0.00 0.00 179.25 180.40 1pg4 h VAL 171 N 1.00 1.16 -0.96 0.00 2.07 -0.60 -2.30 116.25 116.62 1pg4 h VAL 171 Ca 0.18 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1pg4 h VAL 171 Cb 0.53 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1pg4 h VAL 171 CO 0.03 0.17 0.62 0.00 0.02 0.00 0.00 177.57 178.41 1pg4 h ALA 172 N 1.07 1.21 -0.79 1.67 0.00 -0.65 -1.83 119.26 119.95 1pg4 h ALA 172 Ca 0.15 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1pg4 h ALA 172 Cb 0.07 -0.39 -0.06 0.00 0.00 0.00 0.00 17.79 17.41 1pg4 h ALA 172 CO -0.02 0.62 0.47 0.78 0.00 0.00 0.00 179.25 181.10 1pg4 h GLY 173 N 1.30 1.18 0.85 0.00 0.00 -0.70 0.47 103.07 106.17 1pg4 h GLY 173 Ca 0.35 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1pg4 h GLY 173 CO -0.07 0.23 -0.15 0.00 0.00 0.00 0.00 176.54 176.55 1pg4 h ILE 175 N 0.22 1.22 -0.35 0.00 2.04 -1.03 -1.34 117.51 118.27 1pg4 h ILE 175 Ca 0.05 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 1pg4 h ILE 175 Cb 0.67 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 1pg4 h ILE 175 CO 0.04 0.25 0.19 0.40 0.00 0.00 0.00 178.15 179.03 1pg4 h ILE 176 N 0.83 1.14 -0.59 -0.67 2.04 -0.93 0.35 117.51 119.69 1pg4 h ILE 176 Ca 0.21 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.62 1pg4 h ILE 176 Cb 0.14 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 1pg4 h ILE 176 CO -0.02 0.15 0.13 -0.78 0.00 0.00 0.00 178.15 177.62 1pg4 h ASP 177 N 0.44 0.91 0.58 1.72 1.82 -1.26 -3.13 116.42 117.48 1pg4 h ASP 177 Ca 0.12 -0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.52 1pg4 h ASP 177 Cb 0.07 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 39.84 1pg4 h ASP 177 CO -0.02 0.92 -0.58 -1.54 -1.61 0.00 0.00 179.24 176.41 1pg4 n SER 178 N -4.35 0.56 -3.78 2.28 3.41 -0.52 -4.96 113.62 106.26 1pg4 n SER 178 Ca 0.03 -0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.21 1pg4 n SER 178 Cb 0.25 0.28 0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1pg4 n SER 178 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1pg4 n SER 179 N -1.68 -4.22 -4.73 4.04 7.64 0.12 -4.77 113.62 110.02 1pg4 n SER 179 Ca 0.05 -0.73 -0.42 0.00 1.01 0.00 0.00 58.87 58.77 1pg4 n SER 179 Cb 0.37 -4.22 -0.02 0.00 -1.01 0.00 0.00 64.21 59.34 1pg4 n SER 179 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1pg4 n SER 180 N -2.93 3.49 0.03 6.43 7.64 -1.15 -4.76 113.62 122.36 1pg4 n SER 180 Ca -0.05 1.16 0.11 0.00 1.01 0.00 0.00 58.87 61.10 1pg4 n SER 180 Cb 0.57 -1.55 0.08 0.00 -1.01 0.00 0.00 64.21 62.30 1pg4 n SER 180 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1pg4 n ARG 181 N 1.77 0.23 -3.82 1.43 1.74 -1.06 -2.63 116.66 114.32 1pg4 n ARG 181 Ca 0.08 0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 57.05 1pg4 n ARG 181 Cb 0.36 -1.59 -0.11 0.00 -1.02 0.00 0.00 32.46 30.10 1pg4 n ARG 181 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1pg4 s LEU 182 N -3.77 1.30 -0.09 0.55 2.96 -1.26 -1.31 118.68 117.06 1pg4 s LEU 182 Ca 0.06 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.13 1pg4 s LEU 182 Cb 0.15 0.76 0.00 0.00 0.50 0.00 0.00 46.19 47.60 1pg4 s LEU 182 CO 0.78 -0.23 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.68 1pg4 s VAL 183 N -0.65 1.80 -0.21 1.68 1.01 -0.90 -0.64 120.40 122.49 1pg4 s VAL 183 Ca -0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1pg4 s VAL 183 Cb -0.04 -1.58 -0.00 0.00 0.00 0.00 0.00 36.38 34.76 1pg4 s VAL 183 CO 0.01 0.50 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 1pg4 s ILE 184 N 0.46 3.08 0.00 2.22 1.01 0.15 -0.64 121.20 127.48 1pg4 s ILE 184 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1pg4 s ILE 184 Cb -0.17 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1pg4 s ILE 184 CO 0.07 0.44 0.00 1.07 0.00 0.00 0.00 174.94 176.52 1pg4 n THR 185 N 4.76 0.00 -4.25 2.92 5.66 -0.06 -0.87 114.28 122.44 1pg4 n THR 185 Ca -0.19 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.66 1pg4 n THR 185 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 1pg4 n THR 185 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pg4 s ALA 186 N -1.76 1.46 0.13 1.79 0.00 -1.26 -0.94 121.76 121.18 1pg4 s ALA 186 Ca 0.00 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.33 1pg4 s ALA 186 Cb 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1pg4 s ALA 186 CO 0.00 -0.05 1.73 0.38 0.00 0.00 0.00 175.76 177.82 1pg4 h ASP 187 N 2.97 -0.04 -5.08 0.00 3.04 -1.51 -2.11 116.42 113.69 1pg4 h ASP 187 Ca -0.37 0.04 -0.07 0.00 -3.24 0.00 0.00 57.03 53.38 1pg4 h ASP 187 Cb 1.19 0.06 -0.15 0.00 -1.04 0.00 0.00 39.33 39.40 1pg4 h ASP 187 CO 0.60 0.01 -0.17 -1.61 -2.04 0.00 0.00 179.24 176.03 1pg4 s GLU 188 N -6.19 0.94 0.25 4.15 2.02 -1.26 -2.31 118.70 116.30 1pg4 s GLU 188 Ca -0.13 -0.63 0.06 0.00 0.02 0.00 0.00 54.97 54.29 1pg4 s GLU 188 Cb 0.10 0.41 -0.03 0.00 0.10 0.00 0.00 34.13 34.70 1pg4 s GLU 188 CO 0.69 -0.33 0.26 0.20 0.02 0.00 0.00 175.26 176.09 1pg4 s GLY 189 N -2.47 1.35 -0.14 -1.39 0.00 0.26 -4.46 107.32 100.47 1pg4 s GLY 189 Ca -0.00 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.38 1pg4 s GLY 189 CO -0.08 -1.39 -0.22 0.14 0.00 0.00 0.00 173.10 171.56 1pg4 s VAL 190 N -2.08 2.03 -0.18 1.40 1.01 -1.26 0.36 120.40 121.68 1pg4 s VAL 190 Ca 0.34 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1pg4 s VAL 190 Cb -0.08 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1pg4 s VAL 190 CO 0.26 0.54 0.37 -0.60 0.00 0.00 0.00 175.10 175.68 1pg4 s ARG 191 N 0.80 0.28 -1.42 2.72 3.52 0.21 -4.62 118.95 120.44 1pg4 s ARG 191 Ca -0.08 0.94 -0.10 0.00 -0.13 0.00 0.00 55.73 56.36 1pg4 s ARG 191 Cb -0.16 0.20 0.03 0.00 -1.56 0.00 0.00 34.95 33.47 1pg4 s ARG 191 CO -0.01 -0.25 1.07 0.00 -0.81 0.00 0.00 175.30 175.30 1pg4 n ALA 192 N 5.28 -1.26 -0.47 6.12 0.00 -1.26 -1.55 120.51 127.36 1pg4 n ALA 192 Ca -0.09 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1pg4 n ALA 192 Cb 0.50 -5.11 0.00 0.00 0.00 0.00 0.00 19.45 14.84 1pg4 n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg4 n GLY 193 N -1.88 1.92 3.85 0.00 0.00 -1.26 -5.01 105.19 102.81 1pg4 n GLY 193 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1pg4 n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pg4 s ARG 194 N -0.03 3.09 -0.20 1.61 0.52 -0.59 -5.10 118.95 118.25 1pg4 s ARG 194 Ca 0.00 -0.74 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1pg4 s ARG 194 Cb 0.00 -2.77 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 1pg4 s ARG 194 CO 0.00 0.51 0.15 -1.12 0.02 0.00 0.00 175.30 174.87 1pg4 s SER 195 N -3.01 6.22 -0.21 0.23 0.01 -1.26 -0.62 113.70 115.06 1pg4 s SER 195 Ca 0.32 0.24 -0.06 0.00 1.31 0.00 0.00 55.95 57.75 1pg4 s SER 195 Cb -0.11 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.99 1pg4 s SER 195 CO 0.25 0.15 0.04 -0.63 0.41 0.00 0.00 173.24 173.46 1pg4 s ILE 196 N 0.50 4.34 0.35 1.44 -1.09 0.16 -4.92 121.20 121.98 1pg4 s ILE 196 Ca 0.09 -0.18 -0.28 0.00 -2.23 0.00 0.00 60.65 58.05 1pg4 s ILE 196 Cb -0.12 -2.98 -0.10 0.00 -1.58 0.00 0.00 42.46 37.69 1pg4 s ILE 196 CO -0.00 0.41 1.29 -2.16 -1.23 0.00 0.00 174.94 173.25 1pg4 s PRO 197 N 0.93 4.25 0.09 2.79 0.04 -1.26 -0.58 135.00 141.26 1pg4 s PRO 197 Ca 0.03 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.23 1pg4 s PRO 197 Cb -0.14 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1pg4 s PRO 197 CO 0.02 -0.25 0.00 1.28 0.04 0.00 0.00 177.00 178.09 1pg4 n LEU 198 N 0.60 0.14 -0.19 -3.56 4.77 -1.15 -4.70 117.00 112.91 1pg4 n LEU 198 Ca 0.01 0.15 -0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1pg4 n LEU 198 Cb 0.43 0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 1pg4 n LEU 198 CO 0.58 -0.50 1.07 0.50 -1.33 0.00 0.00 177.39 177.70 1pg4 h LYS 199 N 0.00 0.61 -0.65 3.23 1.63 -0.95 -1.00 116.57 119.44 1pg4 h LYS 199 Ca 0.00 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1pg4 h LYS 199 Cb 0.24 -0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 1pg4 h LYS 199 CO 0.00 0.40 0.39 -0.22 -3.45 0.00 0.00 179.45 176.57 1pg4 h LYS 200 N 0.63 0.87 -0.68 1.90 3.64 -1.88 -0.22 116.57 120.83 1pg4 h LYS 200 Ca 0.24 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 1pg4 h LYS 200 Cb 0.09 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1pg4 h LYS 200 CO -0.13 0.61 0.12 -0.91 -2.27 0.00 0.00 179.45 176.87 1pg4 h ASN 201 N 0.89 1.06 -0.44 4.20 2.35 -1.51 -1.79 115.58 120.33 1pg4 h ASN 201 Ca 0.23 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.69 1pg4 h ASN 201 Cb -0.04 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 1pg4 h ASN 201 CO -0.04 1.04 0.07 0.58 -1.65 0.00 0.00 177.43 177.42 1pg4 h VAL 202 N 1.04 1.25 -0.38 2.81 2.07 -0.22 -0.44 116.25 122.37 1pg4 h VAL 202 Ca 0.21 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.88 1pg4 h VAL 202 Cb 0.42 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1pg4 h VAL 202 CO 0.01 0.31 0.09 0.44 0.02 0.00 0.00 177.57 178.44 1pg4 h ASP 203 N 0.60 0.04 -0.72 0.57 3.32 -0.80 0.11 116.42 119.54 1pg4 h ASP 203 Ca 0.13 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 1pg4 h ASP 203 Cb 0.39 0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1pg4 h ASP 203 CO 0.01 0.06 0.24 0.44 -1.72 0.00 0.00 179.24 178.27 1pg4 h ASP 204 N 0.22 1.05 -0.73 6.45 3.45 -1.09 -2.71 116.42 123.06 1pg4 h ASP 204 Ca 0.18 -0.19 -0.06 0.00 0.43 0.00 0.00 57.03 57.39 1pg4 h ASP 204 Cb 0.21 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.67 1pg4 h ASP 204 CO -0.23 0.97 0.22 0.00 -1.57 0.00 0.00 179.24 178.62 1pg4 h ALA 205 N 1.17 0.99 0.00 3.45 0.00 -0.40 -2.54 119.26 121.93 1pg4 h ALA 205 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pg4 h ALA 205 Cb 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pg4 h ALA 205 CO -0.01 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1pg4 n LEU 206 N -4.24 0.39 0.15 0.00 4.77 -0.04 -1.99 117.00 116.04 1pg4 n LEU 206 Ca 0.06 0.60 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1pg4 n LEU 206 Cb 0.24 -0.54 0.36 0.00 -2.33 0.00 0.00 43.42 41.15 1pg4 n LEU 206 CO 0.42 -0.42 0.87 0.11 -1.33 0.00 0.00 177.39 177.03 1pg4 h LYS 207 N 0.00 0.00 -6.45 3.23 1.57 -1.24 -3.45 116.57 110.23 1pg4 h LYS 207 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 1pg4 h LYS 207 Cb 0.33 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.67 1pg4 h LYS 207 CO 0.00 0.00 1.12 -1.71 -0.57 0.00 0.00 179.45 178.29 1pg4 n ASN 208 N -2.52 3.98 0.22 0.86 2.85 -0.84 -4.84 115.26 114.97 1pg4 n ASN 208 Ca 0.05 0.97 0.15 0.00 -0.11 0.00 0.00 54.58 55.64 1pg4 n ASN 208 Cb 0.43 -1.52 0.80 0.00 1.24 0.00 0.00 39.78 40.73 1pg4 n ASN 208 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1pg4 h PRO 209 N 8.96 0.00 0.00 1.20 0.13 -1.90 -1.82 132.00 138.57 1pg4 h PRO 209 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1pg4 h PRO 209 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pg4 h PRO 209 CO 0.94 0.00 -0.35 0.09 -0.23 0.00 0.00 178.00 178.45 1pg4 n ASN 210 N -2.52 0.46 -4.60 1.44 3.02 -1.26 -4.71 115.26 107.08 1pg4 n ASN 210 Ca -0.02 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 1pg4 n ASN 210 Cb 0.05 -0.08 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 1pg4 n ASN 210 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pg4 s VAL 211 N -3.06 4.55 0.00 2.41 1.01 -0.69 -4.82 120.40 119.80 1pg4 s VAL 211 Ca 0.10 1.17 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1pg4 s VAL 211 Cb 0.16 -4.36 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1pg4 s VAL 211 CO 0.65 -0.59 0.01 0.35 0.00 0.00 0.00 175.10 175.52 1pg4 n THR 212 N 6.07 0.00 0.07 3.92 -2.24 -1.26 -4.84 114.28 115.99 1pg4 n THR 212 Ca 0.08 -0.26 -0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1pg4 n THR 212 Cb 0.48 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.68 1pg4 n THR 212 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pg4 h SER 213 N 0.00 0.00 -2.81 3.42 4.64 -1.88 -3.46 113.55 113.46 1pg4 h SER 213 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1pg4 h SER 213 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1pg4 h SER 213 CO 0.00 0.62 0.95 -0.69 -0.87 0.00 0.00 176.83 176.84 1pg4 s VAL 214 N -2.89 3.95 -0.07 0.95 1.01 -1.08 -4.11 120.40 118.16 1pg4 s VAL 214 Ca -0.00 1.19 0.12 0.00 0.00 0.00 0.00 61.98 63.28 1pg4 s VAL 214 Cb 0.08 -3.77 -0.18 0.00 0.00 0.00 0.00 36.38 32.52 1pg4 s VAL 214 CO 0.79 -0.09 0.17 -0.62 0.00 0.00 0.00 175.10 175.35 1pg4 n GLU 215 N 6.57 1.19 -3.89 2.72 1.02 -0.43 -4.99 120.64 122.83 1pg4 n GLU 215 Ca 0.15 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 1pg4 n GLU 215 Cb 0.44 -1.31 -0.08 0.00 -0.02 0.00 0.00 31.44 30.47 1pg4 n GLU 215 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1pg4 s HIS 216 N -2.61 0.17 -0.16 -0.32 3.76 -1.23 -4.63 115.29 110.26 1pg4 s HIS 216 Ca -0.05 -0.51 -0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1pg4 s HIS 216 Cb 0.06 -0.10 0.05 0.00 1.11 0.00 0.00 32.58 33.70 1pg4 s HIS 216 CO 0.52 -0.45 -0.01 0.08 -0.85 0.00 0.00 174.74 174.03 1pg4 s VAL 217 N -3.13 0.82 -0.13 -0.90 1.01 -0.46 -2.11 120.40 115.50 1pg4 s VAL 217 Ca -0.01 -0.52 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1pg4 s VAL 217 Cb 0.02 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1pg4 s VAL 217 CO -0.07 0.02 0.61 -0.63 0.00 0.00 0.00 175.10 175.03 1pg4 s ILE 218 N 1.75 5.08 -0.12 2.22 1.01 0.19 -0.74 121.20 130.59 1pg4 s ILE 218 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 60.65 61.88 1pg4 s ILE 218 Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.38 1pg4 s ILE 218 CO -0.07 0.23 -0.21 -0.69 0.00 0.00 0.00 174.94 174.19 1pg4 s VAL 219 N 1.13 2.24 -0.11 2.92 1.01 0.21 -0.88 120.40 126.93 1pg4 s VAL 219 Ca 0.31 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1pg4 s VAL 219 Cb -0.16 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1pg4 s VAL 219 CO 0.13 0.55 0.39 -0.22 0.00 0.00 0.00 175.10 175.94 1pg4 s LEU 220 N 0.52 4.30 -0.78 3.92 2.96 -0.12 0.23 118.68 129.72 1pg4 s LEU 220 Ca -0.13 0.72 -0.23 0.00 -0.22 0.00 0.00 54.13 54.27 1pg4 s LEU 220 Cb -0.17 -2.54 0.07 0.00 0.50 0.00 0.00 46.19 44.05 1pg4 s LEU 220 CO 0.05 0.11 1.13 -0.75 -1.32 0.00 0.00 176.35 175.56 1pg4 s LYS 221 N 0.21 3.30 -0.16 1.98 2.20 -1.26 -1.20 119.74 124.80 1pg4 s LYS 221 Ca 0.22 -0.95 0.07 0.00 -0.36 0.00 0.00 55.97 54.95 1pg4 s LYS 221 Cb -0.15 -4.52 -0.23 0.00 -1.51 0.00 0.00 37.83 31.43 1pg4 s LYS 221 CO 0.08 -1.93 0.18 -2.13 -0.36 0.00 0.00 175.35 171.19 1pg4 n ARG 222 N 7.97 0.68 0.00 4.03 3.00 -1.26 -4.68 116.66 126.40 1pg4 n ARG 222 Ca 0.09 0.16 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 1pg4 n ARG 222 Cb 0.48 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.31 1pg4 n ARG 222 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1pg4 n THR 223 N -3.12 0.00 -1.11 5.15 -2.24 -1.26 -5.01 114.28 106.68 1pg4 n THR 223 Ca -0.33 -0.09 -0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1pg4 n THR 223 Cb 1.06 0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1pg4 n THR 223 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg4 n GLY 224 N 2.13 0.66 3.74 3.38 0.00 -1.26 -5.00 105.19 108.84 1pg4 n GLY 224 Ca 0.00 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1pg4 n GLY 224 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pg4 s SER 225 N -2.50 4.45 -0.18 1.61 0.01 -1.26 -4.91 113.70 110.93 1pg4 s SER 225 Ca 0.00 2.16 -0.29 0.00 1.31 0.00 0.00 55.95 59.13 1pg4 s SER 225 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1pg4 s SER 225 CO 0.00 -2.08 1.65 -1.81 0.41 0.00 0.00 173.24 171.41 1pg4 s ASP 226 N -2.41 6.41 0.24 2.44 1.01 -1.26 -4.98 116.67 118.12 1pg4 s ASP 226 Ca 0.70 1.78 0.10 0.00 0.71 0.00 0.00 52.55 55.84 1pg4 s ASP 226 Cb -0.24 -2.53 -0.05 0.00 1.01 0.00 0.00 42.92 41.11 1pg4 s ASP 226 CO 0.46 -1.21 -0.17 0.27 0.21 0.00 0.00 175.17 174.73 1pg4 s ILE 227 N 5.06 2.07 0.38 0.77 -4.36 -1.26 -5.11 121.20 118.74 1pg4 s ILE 227 Ca 0.73 -2.30 -0.24 0.00 -0.26 0.00 0.00 60.65 58.59 1pg4 s ILE 227 Cb -0.27 -2.17 -0.10 0.00 1.25 0.00 0.00 42.46 41.16 1pg4 s ILE 227 CO 0.29 -0.50 0.98 -1.81 0.24 0.00 0.00 174.94 174.14 1pg4 s ASP 228 N -3.41 7.02 -0.04 4.36 -0.00 -1.26 -5.05 116.67 118.29 1pg4 s ASP 228 Ca 0.26 1.85 0.02 0.00 -0.00 0.00 0.00 52.55 54.68 1pg4 s ASP 228 Cb -0.02 -2.57 0.01 0.00 -0.00 0.00 0.00 42.92 40.34 1pg4 s ASP 228 CO 0.11 -0.30 -0.09 0.86 -0.00 0.00 0.00 175.17 175.75 1pg4 s TRP 229 N -1.81 1.06 -0.56 4.23 -0.11 -1.26 -5.02 118.94 115.47 1pg4 s TRP 229 Ca 0.56 -0.33 -0.06 0.00 1.22 0.00 0.00 56.10 57.49 1pg4 s TRP 229 Cb -0.17 -0.81 0.15 0.00 -1.50 0.00 0.00 33.47 31.14 1pg4 s TRP 229 CO 0.21 -0.18 0.41 -1.14 -4.62 0.00 0.00 176.95 171.63 1pg4 s GLN 230 N 0.56 2.57 0.21 5.86 0.74 -1.26 -5.06 119.66 123.28 1pg4 s GLN 230 Ca -0.10 -2.14 -0.31 0.00 0.05 0.00 0.00 55.36 52.87 1pg4 s GLN 230 Cb -0.13 -3.87 -0.15 0.00 1.10 0.00 0.00 33.01 29.96 1pg4 s GLN 230 CO 0.02 -1.18 1.02 -1.91 -0.55 0.00 0.00 175.29 172.68 1pg4 n GLU 231 N 4.23 1.03 0.00 1.67 4.07 -1.26 -1.33 120.64 129.05 1pg4 n GLU 231 Ca 0.01 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.48 1pg4 n GLU 231 Cb 0.41 -1.75 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 1pg4 n GLU 231 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1pg4 n GLY 232 N 1.72 2.16 0.09 8.31 0.00 -1.26 -4.66 105.19 111.55 1pg4 n GLY 232 Ca 0.14 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 1pg4 n GLY 232 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pg4 h ARG 233 N 0.00 -0.11 -6.42 1.61 2.43 -1.71 -3.43 114.38 106.74 1pg4 h ARG 233 Ca 0.00 0.01 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 1pg4 h ARG 233 Cb 0.00 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1pg4 h ARG 233 CO 0.00 0.12 0.19 -0.51 -1.51 0.00 0.00 179.97 178.26 1pg4 s ASP 234 N -5.30 7.32 -0.00 -3.80 1.01 -0.44 -1.36 116.67 114.11 1pg4 s ASP 234 Ca -0.14 1.57 0.02 0.00 0.71 0.00 0.00 52.55 54.71 1pg4 s ASP 234 Cb 0.04 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 1pg4 s ASP 234 CO 0.64 0.08 -0.06 -0.76 0.21 0.00 0.00 175.17 175.29 1pg4 s LEU 235 N -0.49 2.03 0.13 1.23 1.43 0.08 -4.80 118.68 118.29 1pg4 s LEU 235 Ca 0.38 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 1pg4 s LEU 235 Cb -0.22 -0.27 -0.06 0.00 0.03 0.00 0.00 46.19 45.66 1pg4 s LEU 235 CO 0.25 0.05 0.95 0.26 0.23 0.00 0.00 176.35 178.09 1pg4 s TRP 236 N -0.22 3.84 0.13 0.29 0.52 -1.26 0.67 118.94 122.91 1pg4 s TRP 236 Ca 0.01 1.80 -0.27 0.00 0.02 0.00 0.00 56.10 57.67 1pg4 s TRP 236 Cb -0.03 -3.03 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 1pg4 s TRP 236 CO -0.00 0.26 1.62 2.35 0.02 0.00 0.00 176.95 181.19 1pg4 h TRP 237 N 5.33 -0.84 -0.69 -1.98 2.91 -0.57 -2.50 115.95 117.62 1pg4 h TRP 237 Ca -0.43 0.03 0.09 0.00 1.13 0.00 0.00 58.89 59.71 1pg4 h TRP 237 Cb 1.21 0.38 -0.07 0.00 -0.51 0.00 0.00 29.16 30.17 1pg4 h TRP 237 CO 0.64 -0.40 0.34 -0.09 -1.03 0.00 0.00 178.44 177.90 1pg4 h ARG 238 N -0.44 0.56 -0.61 2.65 2.43 -1.93 -1.47 114.38 115.57 1pg4 h ARG 238 Ca 0.07 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1pg4 h ARG 238 Cb 0.54 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1pg4 h ARG 238 CO -0.28 0.37 0.25 -0.44 -1.51 0.00 0.00 179.97 178.36 1pg4 h ASP 239 N 0.58 0.81 0.12 -3.80 3.32 -1.88 -2.54 116.42 113.03 1pg4 h ASP 239 Ca 0.34 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1pg4 h ASP 239 Cb 0.35 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1pg4 h ASP 239 CO -0.27 0.72 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.84 1pg4 h LEU 240 N 0.87 -0.14 -1.47 1.55 3.38 -0.98 -3.32 115.31 115.20 1pg4 h LEU 240 Ca 0.21 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1pg4 h LEU 240 Cb 0.16 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pg4 h LEU 240 CO -0.02 0.47 -0.02 -0.29 0.09 0.00 0.00 178.44 178.66 1pg4 h ILE 241 N -0.90 1.15 0.00 1.22 2.10 -1.34 -2.09 117.51 117.65 1pg4 h ILE 241 Ca -0.02 -0.59 0.00 0.00 1.08 0.00 0.00 64.86 65.33 1pg4 h ILE 241 Cb 0.53 1.01 0.00 0.00 -1.09 0.00 0.00 36.82 37.27 1pg4 h ILE 241 CO 0.03 0.20 0.00 -0.62 -1.08 0.00 0.00 178.15 176.67 1pg4 n GLU 242 N -4.34 0.16 0.00 2.19 1.02 -0.96 -2.29 120.64 116.42 1pg4 n GLU 242 Ca 0.00 0.31 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 1pg4 n GLU 242 Cb 0.21 -1.76 -0.01 0.00 -0.02 0.00 0.00 31.44 29.86 1pg4 n GLU 242 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pg4 n LYS 243 N -2.05 1.24 -3.48 3.49 4.76 -0.80 -4.97 118.16 116.34 1pg4 n LYS 243 Ca 0.03 -0.98 -0.30 0.00 -2.87 0.00 0.00 58.31 54.20 1pg4 n LYS 243 Cb 0.27 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 31.96 1pg4 n LYS 243 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pg4 s ALA 244 N -2.44 3.66 0.19 7.82 0.00 -0.97 -5.06 121.76 124.97 1pg4 s ALA 244 Ca 0.18 -0.48 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1pg4 s ALA 244 Cb 0.18 -2.28 -0.08 0.00 0.00 0.00 0.00 23.12 20.94 1pg4 s ALA 244 CO 0.56 0.46 1.15 0.45 0.00 0.00 0.00 175.76 178.38 1pg4 s SER 245 N -2.69 7.18 0.00 0.00 0.15 -1.26 -4.90 113.70 112.18 1pg4 s SER 245 Ca 0.44 2.18 0.12 0.00 0.70 0.00 0.00 55.95 59.39 1pg4 s SER 245 Cb -0.11 -2.61 0.67 0.00 -1.71 0.00 0.00 66.02 62.26 1pg4 s SER 245 CO 0.25 -0.29 1.44 -0.81 1.20 0.00 0.00 173.24 175.04 1pg4 n PRO 246 N 2.31 1.12 -3.60 5.44 -0.04 -1.26 -3.76 135.00 135.21 1pg4 n PRO 246 Ca 0.03 -0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 62.92 1pg4 n PRO 246 Cb 0.45 -1.20 -0.11 0.00 -0.04 0.00 0.00 33.50 32.60 1pg4 n PRO 246 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1pg4 s GLU 247 N -1.95 3.22 -0.13 0.54 0.41 -1.26 -4.58 118.70 114.94 1pg4 s GLU 247 Ca 0.19 -0.81 -0.05 0.00 -0.41 0.00 0.00 54.97 53.89 1pg4 s GLU 247 Cb 0.09 -3.69 0.06 0.00 -1.78 0.00 0.00 34.13 28.81 1pg4 s GLU 247 CO 0.15 -0.52 0.27 -1.58 -0.49 0.00 0.00 175.26 173.09 1pg4 s HIS 248 N 1.63 -0.43 -0.12 1.61 2.46 -1.26 -4.97 115.29 114.20 1pg4 s HIS 248 Ca 0.04 0.98 -0.21 0.00 0.47 0.00 0.00 55.06 56.35 1pg4 s HIS 248 Cb -0.18 0.00 -0.04 0.00 -0.13 0.00 0.00 32.58 32.24 1pg4 s HIS 248 CO 0.08 -0.34 0.60 -0.65 -2.47 0.00 0.00 174.74 171.96 1pg4 s GLN 249 N 2.20 4.34 0.04 2.88 -1.52 -1.26 -4.99 119.66 121.35 1pg4 s GLN 249 Ca -0.01 0.65 -0.30 0.00 -1.95 0.00 0.00 55.36 53.75 1pg4 s GLN 249 Cb -0.12 -3.48 -0.05 0.00 -0.22 0.00 0.00 33.01 29.14 1pg4 s GLN 249 CO -0.09 0.01 1.26 -2.14 -0.25 0.00 0.00 175.29 174.08 1pg4 s PRO 250 N 1.06 4.38 0.31 2.91 0.02 -1.26 -5.03 135.00 137.39 1pg4 s PRO 250 Ca 0.31 1.82 -0.06 0.00 0.02 0.00 0.00 61.00 63.09 1pg4 s PRO 250 Cb -0.16 -3.41 -0.05 0.00 0.02 0.00 0.00 34.50 30.90 1pg4 s PRO 250 CO 0.13 -0.36 0.59 -1.21 -0.33 0.00 0.00 177.00 175.82 1pg4 s GLU 251 N 1.48 3.67 0.14 5.54 0.41 -1.26 -5.05 118.70 123.63 1pg4 s GLU 251 Ca 0.60 0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.96 1pg4 s GLU 251 Cb -0.30 -2.60 -0.07 0.00 -1.78 0.00 0.00 34.13 29.38 1pg4 s GLU 251 CO 0.28 0.17 1.09 0.00 -0.49 0.00 0.00 175.26 176.30 1pg4 s ALA 252 N -2.12 3.34 0.05 5.21 0.00 -1.26 -4.67 121.76 122.30 1pg4 s ALA 252 Ca 0.45 0.77 0.05 0.00 0.00 0.00 0.00 51.96 53.23 1pg4 s ALA 252 Cb -0.11 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.62 1pg4 s ALA 252 CO 0.30 -0.21 -0.09 -1.64 0.00 0.00 0.00 175.76 174.11 1pg4 s MET 253 N -0.02 2.33 0.55 0.00 -1.94 0.73 -4.88 119.30 116.07 1pg4 s MET 253 Ca 0.50 -0.87 -0.18 0.00 -1.71 0.00 0.00 55.69 53.43 1pg4 s MET 253 Cb -0.28 -2.38 -0.05 0.00 2.01 0.00 0.00 34.83 34.12 1pg4 s MET 253 CO 0.33 0.56 1.09 -0.80 -0.01 0.00 0.00 175.02 176.18 1pg4 s ASN 254 N -1.72 5.82 0.42 3.03 0.01 -1.26 -0.49 114.94 120.74 1pg4 s ASN 254 Ca 0.18 2.01 0.14 0.00 -0.71 0.00 0.00 52.86 54.49 1pg4 s ASN 254 Cb -0.11 -2.56 1.00 0.00 0.41 0.00 0.00 41.25 39.99 1pg4 s ASN 254 CO 0.10 -1.14 1.93 0.00 -1.51 0.00 0.00 177.10 176.47 1pg4 h ALA 255 N 0.99 2.04 -0.59 0.60 0.00 -1.39 -1.34 119.26 119.56 1pg4 h ALA 255 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1pg4 h ALA 255 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1pg4 h ALA 255 CO 0.57 -0.22 0.00 0.39 0.00 0.00 0.00 179.25 179.99 1pg4 n GLU 256 N -4.48 3.12 -2.29 0.00 -0.58 -1.26 -0.79 120.64 114.35 1pg4 n GLU 256 Ca 0.13 -2.44 -0.41 0.00 -0.42 0.00 0.00 57.16 54.03 1pg4 n GLU 256 Cb 0.47 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1pg4 n GLU 256 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pg4 s ASP 257 N -0.89 7.01 0.30 1.62 1.01 -0.51 -4.75 116.67 120.46 1pg4 s ASP 257 Ca 0.44 2.46 -0.30 0.00 0.71 0.00 0.00 52.55 55.86 1pg4 s ASP 257 Cb 0.27 -2.63 -0.11 0.00 1.01 0.00 0.00 42.92 41.45 1pg4 s ASP 257 CO 0.24 -0.36 1.60 -2.16 0.21 0.00 0.00 175.17 174.70 1pg4 s PRO 258 N -1.37 4.11 -0.21 8.23 0.04 -1.26 -2.31 135.00 142.24 1pg4 s PRO 258 Ca 0.48 2.59 -0.12 0.00 0.04 0.00 0.00 61.00 63.99 1pg4 s PRO 258 Cb -0.36 -3.02 -0.09 0.00 0.04 0.00 0.00 34.50 31.08 1pg4 s PRO 258 CO 0.45 -0.64 -0.29 -0.11 0.04 0.00 0.00 177.00 176.46 1pg4 n LEU 259 N 2.13 1.61 -3.69 -3.56 7.94 0.11 -4.62 117.00 116.93 1pg4 n LEU 259 Ca 0.08 0.28 -0.09 0.00 -1.11 0.00 0.00 56.01 55.16 1pg4 n LEU 259 Cb 0.37 -0.66 -0.03 0.00 0.53 0.00 0.00 43.42 43.64 1pg4 n LEU 259 CO 0.64 0.31 0.37 0.72 -1.11 0.00 0.00 177.39 178.31 1pg4 s PHE 260 N -2.47 -0.26 -0.00 1.96 -0.12 -1.05 -2.73 117.98 113.31 1pg4 s PHE 260 Ca -0.30 -0.08 0.06 0.00 -0.05 0.00 0.00 56.93 56.56 1pg4 s PHE 260 Cb 0.10 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 43.01 1pg4 s PHE 260 CO 0.38 -1.00 -0.18 0.42 -0.05 0.00 0.00 175.22 174.79 1pg4 s ILE 261 N -3.85 1.45 -0.08 -4.49 -1.09 -0.64 -1.58 121.20 110.90 1pg4 s ILE 261 Ca 0.08 -0.84 -0.01 0.00 -2.23 0.00 0.00 60.65 57.64 1pg4 s ILE 261 Cb -0.03 -1.22 0.03 0.00 -1.58 0.00 0.00 42.46 39.67 1pg4 s ILE 261 CO -0.03 0.36 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.28 1pg4 s LEU 262 N -0.55 0.70 -0.06 2.97 1.43 -0.48 -3.87 118.68 118.83 1pg4 s LEU 262 Ca 0.07 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 1pg4 s LEU 262 Cb -0.07 -0.50 -0.03 0.00 0.03 0.00 0.00 46.19 45.61 1pg4 s LEU 262 CO -0.00 -0.19 1.23 -0.31 0.23 0.00 0.00 176.35 177.31 1pg4 s TYR 263 N 1.93 3.12 -0.01 0.29 1.51 -1.26 -1.02 117.35 121.92 1pg4 s TYR 263 Ca 0.05 1.15 0.05 0.00 -1.01 0.00 0.00 57.07 57.31 1pg4 s TYR 263 Cb -0.13 -3.46 -0.01 0.00 -0.11 0.00 0.00 41.96 38.25 1pg4 s TYR 263 CO -0.06 -1.49 -0.17 0.99 -1.11 0.00 0.00 175.55 173.72 1pg4 s THR 264 N 2.35 1.31 0.33 -0.71 2.01 -0.08 -4.86 115.64 115.99 1pg4 s THR 264 Ca 0.57 -0.75 -0.27 0.00 0.31 0.00 0.00 61.69 61.54 1pg4 s THR 264 Cb -0.25 -1.10 -0.09 0.00 0.01 0.00 0.00 72.50 71.07 1pg4 s THR 264 CO 0.22 0.33 1.10 -0.44 -0.69 0.00 0.00 174.62 175.14 1pg4 s SER 265 N -0.49 7.01 0.47 3.53 0.01 -1.26 -1.57 113.70 121.41 1pg4 s SER 265 Ca 0.06 2.22 0.02 0.00 1.31 0.00 0.00 55.95 59.56 1pg4 s SER 265 Cb -0.07 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1pg4 s SER 265 CO -0.00 -0.32 0.07 -0.83 0.41 0.00 0.00 173.24 172.57 1pg4 s GLY 266 N -1.11 2.87 0.43 3.44 0.00 -1.26 -4.78 107.32 106.90 1pg4 s GLY 266 Ca 0.50 -0.72 0.09 0.00 0.00 0.00 0.00 44.72 44.59 1pg4 s GLY 266 CO 0.37 -2.01 2.05 0.23 0.00 0.00 0.00 173.10 173.74 1pg4 h SER 267 N 1.54 0.35 -4.63 1.64 0.87 -1.97 -3.39 113.55 107.96 1pg4 h SER 267 Ca -0.39 -0.02 -0.24 0.00 -1.23 0.00 0.00 61.79 59.92 1pg4 h SER 267 Cb 1.30 -0.09 -0.15 0.00 -0.44 0.00 0.00 62.40 63.02 1pg4 h SER 267 CO 0.64 0.29 -0.69 0.42 -0.53 0.00 0.00 176.83 176.96 1pg4 s THR 268 N -5.29 0.65 0.09 2.23 -4.23 -1.26 -4.21 115.64 103.62 1pg4 s THR 268 Ca -0.07 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1pg4 s THR 268 Cb 0.17 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.20 1pg4 s THR 268 CO 0.72 -0.75 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1pg4 n GLY 269 N -0.09 -1.87 3.95 3.99 0.00 -1.26 -4.90 105.19 105.01 1pg4 n GLY 269 Ca -0.10 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 1pg4 n GLY 269 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pg4 s LYS 270 N -0.88 2.53 0.37 1.61 1.02 -1.26 -4.01 119.74 119.13 1pg4 s LYS 270 Ca 0.00 -0.46 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 1pg4 s LYS 270 Cb 0.00 -2.35 -0.12 0.00 -0.52 0.00 0.00 37.83 34.84 1pg4 s LYS 270 CO 0.00 -0.85 1.06 -2.30 -0.92 0.00 0.00 175.35 172.34 1pg4 n PRO 271 N -2.55 1.49 -4.26 -1.68 -0.02 -1.26 -4.72 135.00 122.01 1pg4 n PRO 271 Ca 0.07 0.53 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 1pg4 n PRO 271 Cb 0.59 -2.04 -0.10 0.00 -0.02 0.00 0.00 33.50 31.93 1pg4 n PRO 271 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1pg4 s LYS 272 N -1.87 1.98 -0.87 -0.52 -0.14 -0.60 -4.78 119.74 112.93 1pg4 s LYS 272 Ca 0.61 -1.10 -0.24 0.00 -1.36 0.00 0.00 55.97 53.87 1pg4 s LYS 272 Cb -0.59 -2.22 0.05 0.00 -1.68 0.00 0.00 37.83 33.39 1pg4 s LYS 272 CO 0.59 0.49 1.31 0.20 -0.76 0.00 0.00 175.35 177.18 1pg4 s GLY 273 N -2.22 1.18 -0.02 -3.33 0.00 -1.26 -0.90 107.32 100.76 1pg4 s GLY 273 Ca 0.20 -1.92 -0.30 0.00 0.00 0.00 0.00 44.72 42.70 1pg4 s GLY 273 CO 0.12 2.56 1.53 0.14 0.00 0.00 0.00 173.10 177.45 1pg4 s VAL 274 N 5.00 3.60 -0.17 1.40 1.01 -0.18 0.13 120.40 131.19 1pg4 s VAL 274 Ca 0.39 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.18 1pg4 s VAL 274 Cb -0.05 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1pg4 s VAL 274 CO 0.01 -0.04 0.05 -0.22 0.00 0.00 0.00 175.10 174.91 1pg4 s LEU 275 N 3.16 3.78 -0.04 3.92 0.20 -0.38 -1.38 118.68 127.94 1pg4 s LEU 275 Ca 0.68 0.09 0.05 0.00 0.69 0.00 0.00 54.13 55.65 1pg4 s LEU 275 Cb -0.33 -1.94 -0.02 0.00 -0.43 0.00 0.00 46.19 43.47 1pg4 s LEU 275 CO 0.27 0.20 -0.19 -1.00 -0.29 0.00 0.00 176.35 175.34 1pg4 s HIS 276 N 0.19 2.54 0.00 5.38 3.76 -0.62 -1.38 115.29 125.16 1pg4 s HIS 276 Ca 0.04 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 1pg4 s HIS 276 Cb -0.12 -1.58 0.00 0.00 1.11 0.00 0.00 32.58 31.99 1pg4 s HIS 276 CO 0.01 0.08 0.00 0.25 -0.85 0.00 0.00 174.74 174.23 1pg4 n THR 277 N 2.39 0.00 -0.09 1.30 -2.24 -1.26 -0.72 114.28 113.66 1pg4 n THR 277 Ca -0.17 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 1pg4 n THR 277 Cb 0.52 -1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1pg4 n THR 277 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1pg4 n THR 278 N 0.00 1.49 0.02 4.28 -1.04 -0.92 -4.30 114.28 113.81 1pg4 n THR 278 Ca 0.00 0.12 -0.01 0.00 -2.04 0.00 0.00 64.05 62.12 1pg4 n THR 278 Cb 0.00 -2.33 -0.01 0.00 -1.82 0.00 0.00 70.33 66.17 1pg4 n THR 278 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1pg4 h GLY 279 N -1.00 -0.57 0.64 3.41 0.00 -1.22 -2.06 103.07 102.27 1pg4 h GLY 279 Ca -0.04 0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.61 1pg4 h GLY 279 CO -0.03 -0.21 0.49 -1.33 0.00 0.00 0.00 176.54 175.46 1pg4 h GLY 280 N -0.08 1.25 0.59 4.60 0.00 -1.79 -1.19 103.07 106.45 1pg4 h GLY 280 Ca -0.01 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.02 1pg4 h GLY 280 CO 0.00 0.20 -0.09 -1.82 0.00 0.00 0.00 176.54 174.83 1pg4 h TYR 281 N 0.87 -0.22 -0.27 5.60 3.20 -1.58 0.82 116.97 125.39 1pg4 h TYR 281 Ca 0.37 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.11 1pg4 h TYR 281 Cb 0.24 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1pg4 h TYR 281 CO -0.05 -0.14 -0.43 1.25 -1.64 0.00 0.00 178.16 177.15 1pg4 h LEU 282 N -0.09 0.72 -0.42 2.82 5.85 -1.07 -0.30 115.31 122.82 1pg4 h LEU 282 Ca 0.08 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1pg4 h LEU 282 Cb 0.22 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1pg4 h LEU 282 CO -0.20 1.05 0.21 0.58 -0.34 0.00 0.00 178.44 179.74 1pg4 h VAL 283 N 0.54 1.18 -0.45 1.05 2.07 -0.99 -1.40 116.25 118.24 1pg4 h VAL 283 Ca 0.04 -0.50 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 1pg4 h VAL 283 Cb 0.97 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 1pg4 h VAL 283 CO 0.09 0.19 -0.22 0.22 0.02 0.00 0.00 177.57 177.87 1pg4 h TYR 284 N 0.54 1.05 -0.39 1.57 5.03 -0.65 -1.02 116.97 123.10 1pg4 h TYR 284 Ca 0.15 -0.25 -0.09 0.00 2.58 0.00 0.00 58.73 61.11 1pg4 h TYR 284 Cb 0.11 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1pg4 h TYR 284 CO -0.01 1.04 -0.12 0.00 -1.32 0.00 0.00 178.16 177.75 1pg4 h ALA 285 N 0.95 0.54 -0.39 1.82 0.00 -0.92 -1.20 119.26 120.07 1pg4 h ALA 285 Ca 0.11 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1pg4 h ALA 285 Cb 0.77 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1pg4 h ALA 285 CO 0.06 0.43 -0.36 0.00 0.00 0.00 0.00 179.25 179.38 1pg4 h ALA 286 N 0.83 0.62 -0.15 0.00 0.00 -1.22 -1.45 119.26 117.89 1pg4 h ALA 286 Ca 0.10 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1pg4 h ALA 286 Cb 0.65 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1pg4 h ALA 286 CO 0.04 0.68 -0.05 1.15 0.00 0.00 0.00 179.25 181.07 1pg4 h THR 287 N 0.75 1.30 -0.40 0.00 2.02 -1.13 -1.81 112.91 113.65 1pg4 h THR 287 Ca 0.07 -1.05 -0.05 0.00 0.77 0.00 0.00 66.41 66.15 1pg4 h THR 287 Cb 0.95 1.69 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 1pg4 h THR 287 CO 0.09 0.31 0.06 0.71 0.37 0.00 0.00 175.52 177.06 1pg4 h THR 288 N -0.03 1.24 0.07 3.16 1.35 -1.26 -2.28 112.91 115.17 1pg4 h THR 288 Ca 0.03 -0.87 0.01 0.00 -0.55 0.00 0.00 66.41 65.04 1pg4 h THR 288 Cb 0.50 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 67.94 1pg4 h THR 288 CO 0.02 0.30 -0.14 0.15 -0.25 0.00 0.00 175.52 175.60 1pg4 h PHE 289 N 0.51 -0.35 0.18 4.73 3.57 -1.26 -0.67 116.94 123.65 1pg4 h PHE 289 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1pg4 h PHE 289 Cb 0.37 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1pg4 h PHE 289 CO 0.03 -0.21 -0.17 -0.22 -2.23 0.00 0.00 178.31 175.51 1pg4 h LYS 290 N -0.27 -0.37 0.00 1.11 3.64 -1.28 -1.93 116.57 117.47 1pg4 h LYS 290 Ca 0.02 0.03 -0.24 0.00 -1.27 0.00 0.00 60.65 59.19 1pg4 h LYS 290 Cb 0.29 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1pg4 h LYS 290 CO -0.08 -0.25 -0.97 1.88 -2.27 0.00 0.00 179.45 177.76 1pg4 h TYR 291 N -0.38 0.72 -0.02 1.91 0.99 -1.42 -0.23 116.97 118.55 1pg4 h TYR 291 Ca -0.00 -0.40 -0.20 0.00 2.00 0.00 0.00 58.73 60.13 1pg4 h TYR 291 Cb 0.36 -0.08 -0.00 0.00 1.00 0.00 0.00 36.73 38.00 1pg4 h TYR 291 CO -0.14 1.22 -0.86 0.28 -0.00 0.00 0.00 178.16 178.66 1pg4 h VAL 292 N 0.27 1.43 -0.08 -2.88 2.07 -1.17 -3.09 116.25 112.80 1pg4 h VAL 292 Ca -0.09 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.00 1pg4 h VAL 292 Cb 1.61 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.74 1pg4 h VAL 292 CO 0.17 0.72 0.00 0.49 0.02 0.00 0.00 177.57 178.97 1pg4 n PHE 293 N -3.74 0.08 -3.86 1.57 3.01 -0.73 -4.28 117.46 109.51 1pg4 n PHE 293 Ca -0.05 -0.04 -0.25 0.00 1.01 0.00 0.00 57.45 58.12 1pg4 n PHE 293 Cb 0.79 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.27 1pg4 n PHE 293 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pg4 n ASP 294 N 0.96 -1.56 -4.71 4.37 4.64 -0.46 -4.85 116.55 114.94 1pg4 n ASP 294 Ca 0.16 -0.90 -0.42 0.00 -1.38 0.00 0.00 54.79 52.26 1pg4 n ASP 294 Cb 0.51 -3.57 -0.03 0.00 -1.04 0.00 0.00 41.12 36.99 1pg4 n ASP 294 CO 0.00 0.00 0.00 -0.47 -0.82 0.00 0.00 177.20 175.91 1pg4 s TYR 295 N -3.69 2.76 0.03 -0.67 5.04 -0.22 -4.89 117.35 115.70 1pg4 s TYR 295 Ca 0.16 0.45 0.08 0.00 -2.44 0.00 0.00 57.07 55.32 1pg4 s TYR 295 Cb -0.08 -3.98 -0.03 0.00 0.35 0.00 0.00 41.96 38.23 1pg4 s TYR 295 CO 0.85 -3.75 -0.25 -1.01 -1.34 0.00 0.00 175.55 170.05 1pg4 s HIS 296 N 1.77 2.17 0.22 4.97 3.76 -1.26 -4.98 115.29 121.95 1pg4 s HIS 296 Ca 0.73 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.92 1pg4 s HIS 296 Cb -0.43 -1.32 -0.14 0.00 1.11 0.00 0.00 32.58 31.79 1pg4 s HIS 296 CO 0.32 0.08 1.22 -0.35 -0.85 0.00 0.00 174.74 175.17 1pg4 n PRO 297 N 1.95 1.53 0.00 8.40 -0.04 -1.26 -1.27 135.00 144.31 1pg4 n PRO 297 Ca -0.17 0.54 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 1pg4 n PRO 297 Cb 0.52 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1pg4 n PRO 297 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pg4 n GLY 298 N 1.88 3.45 3.77 0.55 0.00 -1.26 -5.05 105.19 108.53 1pg4 n GLY 298 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1pg4 n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg4 s ASP 299 N -0.88 6.40 -0.32 1.61 1.01 -0.39 -4.96 116.67 119.15 1pg4 s ASP 299 Ca 0.00 2.97 -0.14 0.00 0.71 0.00 0.00 52.55 56.09 1pg4 s ASP 299 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.25 1pg4 s ASP 299 CO 0.00 -0.85 0.31 -0.63 0.21 0.00 0.00 175.17 174.21 1pg4 s ILE 300 N -0.70 5.21 -0.10 0.77 -1.09 -1.26 -3.92 121.20 120.12 1pg4 s ILE 300 Ca 0.56 0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 59.09 1pg4 s ILE 300 Cb -0.46 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 36.66 1pg4 s ILE 300 CO 0.56 0.03 -0.04 -0.47 -1.23 0.00 0.00 174.94 173.79 1pg4 s TYR 301 N 1.93 3.01 -0.17 3.97 6.14 -0.76 -0.12 117.35 131.36 1pg4 s TYR 301 Ca 0.11 -0.03 -0.03 0.00 0.64 0.00 0.00 57.07 57.75 1pg4 s TYR 301 Cb -0.16 -1.80 0.06 0.00 0.42 0.00 0.00 41.96 40.47 1pg4 s TYR 301 CO 0.11 0.25 0.04 -0.46 0.64 0.00 0.00 175.55 176.13 1pg4 s TRP 302 N -0.48 0.87 -0.22 4.97 -0.00 0.25 -0.99 118.94 123.33 1pg4 s TRP 302 Ca 0.08 -0.69 -0.09 0.00 -0.00 0.00 0.00 56.10 55.39 1pg4 s TRP 302 Cb -0.12 -0.95 -0.04 0.00 -0.00 0.00 0.00 33.47 32.35 1pg4 s TRP 302 CO 0.02 -0.56 0.11 0.00 -0.00 0.00 0.00 176.95 176.52 1pg4 n THR 304 N 4.16 0.00 -1.94 0.00 -2.24 -0.31 -4.77 114.28 109.17 1pg4 n THR 304 Ca -0.16 -0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.21 1pg4 n THR 304 Cb 0.52 -0.13 -0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1pg4 n THR 304 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pg4 s ALA 305 N -2.95 3.40 0.47 6.98 0.00 -1.26 -4.96 121.76 123.44 1pg4 s ALA 305 Ca 0.14 1.39 -0.23 0.00 0.00 0.00 0.00 51.96 53.26 1pg4 s ALA 305 Cb 0.18 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 1pg4 s ALA 305 CO 0.60 -0.93 1.26 0.34 0.00 0.00 0.00 175.76 177.03 1pg4 s ASP 306 N -0.46 5.96 0.61 0.00 -1.08 -1.26 -4.51 116.67 115.93 1pg4 s ASP 306 Ca 0.55 2.54 0.35 0.00 -0.52 0.00 0.00 52.55 55.46 1pg4 s ASP 306 Cb -0.42 -2.62 1.99 0.00 -1.46 0.00 0.00 42.92 40.41 1pg4 s ASP 306 CO 0.56 -1.08 2.28 1.62 0.52 0.00 0.00 175.17 179.06 1pg4 h VAL 307 N 1.93 0.34 0.00 1.11 3.04 -1.93 -2.12 116.25 118.63 1pg4 h VAL 307 Ca -0.50 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 1pg4 h VAL 307 Cb 1.26 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1pg4 h VAL 307 CO 0.60 0.01 0.00 0.61 -1.01 0.00 0.00 177.57 177.78 1pg4 n GLY 308 N -1.16 -1.04 3.74 3.17 0.00 -1.26 -4.18 105.19 104.47 1pg4 n GLY 308 Ca -0.03 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1pg4 n GLY 308 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pg4 s TRP 309 N -2.81 2.85 0.44 1.61 0.23 -0.80 -4.22 118.94 116.23 1pg4 s TRP 309 Ca 0.13 -0.23 0.12 0.00 -2.03 0.00 0.00 56.10 54.09 1pg4 s TRP 309 Cb 0.12 -1.42 1.00 0.00 0.03 0.00 0.00 33.47 33.20 1pg4 s TRP 309 CO 0.32 0.48 2.03 -0.24 0.96 0.00 0.00 176.95 180.49 1pg4 h VAL 310 N 1.62 0.98 -0.58 4.03 3.04 -1.86 -0.24 116.25 123.23 1pg4 h VAL 310 Ca -0.45 -0.14 -0.03 0.00 -1.01 0.00 0.00 66.70 65.06 1pg4 h VAL 310 Cb 1.25 0.53 -0.03 0.00 -2.01 0.00 0.00 31.29 31.03 1pg4 h VAL 310 CO 0.61 0.08 0.23 0.74 -1.01 0.00 0.00 177.57 178.21 1pg4 h THR 311 N 0.42 1.21 -0.44 3.17 2.02 -1.94 -0.18 112.91 117.18 1pg4 h THR 311 Ca 0.20 -0.66 -0.15 0.00 0.77 0.00 0.00 66.41 66.57 1pg4 h THR 311 Cb 0.27 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1pg4 h THR 311 CO -0.05 0.26 -0.30 1.23 0.37 0.00 0.00 175.52 177.03 1pg4 h GLY 312 N 0.96 1.05 0.81 2.16 0.00 -1.06 0.14 103.07 107.12 1pg4 h GLY 312 Ca 0.20 -1.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.51 1pg4 h GLY 312 CO -0.02 0.91 -0.19 0.45 0.00 0.00 0.00 176.54 177.69 1pg4 h HIS 313 N 0.81 -0.49 -0.07 5.60 3.86 -0.65 -1.84 115.15 122.37 1pg4 h HIS 313 Ca 0.09 -0.01 -0.24 0.00 -1.16 0.00 0.00 60.37 59.04 1pg4 h HIS 313 Cb 0.89 0.16 0.01 0.00 1.06 0.00 0.00 27.41 29.53 1pg4 h HIS 313 CO 0.06 -0.20 -0.91 0.77 0.86 0.00 0.00 177.93 178.51 1pg4 h SER 314 N -0.73 0.89 -0.05 2.45 0.02 -1.10 -1.28 113.55 113.76 1pg4 h SER 314 Ca -0.05 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.24 1pg4 h SER 314 Cb 0.51 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1pg4 h SER 314 CO 0.09 1.45 0.00 -1.22 -1.14 0.00 0.00 176.83 176.01 1pg4 n TYR 315 N -3.88 0.06 -0.12 3.45 4.02 0.48 -0.57 117.16 120.59 1pg4 n TYR 315 Ca -0.09 -0.20 -0.21 0.00 -0.01 0.00 0.00 57.90 57.39 1pg4 n TYR 315 Cb 0.82 -0.02 -0.10 0.00 -0.02 0.00 0.00 39.34 40.02 1pg4 n TYR 315 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1pg4 n LEU 316 N 0.04 2.44 -0.00 7.72 -0.00 -0.75 -4.64 117.00 121.80 1pg4 n LEU 316 Ca 0.03 0.06 -0.01 0.00 -0.00 0.00 0.00 56.01 56.09 1pg4 n LEU 316 Cb 0.17 -0.78 -0.00 0.00 -0.00 0.00 0.00 43.42 42.81 1pg4 n LEU 316 CO 0.02 0.73 -0.07 0.18 -0.00 0.00 0.00 177.39 178.25 1pg4 n LEU 317 N -3.59 0.30 0.19 -1.96 4.77 -0.85 -4.73 117.00 111.13 1pg4 n LEU 317 Ca -0.45 0.05 -0.15 0.00 -0.03 0.00 0.00 56.01 55.43 1pg4 n LEU 317 Cb 0.90 -0.31 -0.08 0.00 -2.33 0.00 0.00 43.42 41.60 1pg4 n LEU 317 CO 0.14 -0.50 0.75 1.88 -1.33 0.00 0.00 177.39 178.33 1pg4 h TYR 318 N -0.10 -0.39 0.26 -1.77 0.05 -1.39 -1.15 116.97 112.48 1pg4 h TYR 318 Ca 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 1pg4 h TYR 318 Cb 0.10 0.13 -0.01 0.00 1.01 0.00 0.00 36.73 37.96 1pg4 h TYR 318 CO -0.04 -0.22 -0.19 0.78 -1.05 0.00 0.00 178.16 177.44 1pg4 h GLY 319 N -0.45 -0.46 0.94 3.88 0.00 -1.04 -1.14 103.07 104.79 1pg4 h GLY 319 Ca -0.04 0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1pg4 h GLY 319 CO 0.07 -0.19 0.09 -0.56 0.00 0.00 0.00 176.54 175.96 1pg4 h PRO 320 N -0.45 0.25 -0.47 4.80 0.13 -1.75 -2.77 132.00 131.74 1pg4 h PRO 320 Ca -0.02 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.01 1pg4 h PRO 320 Cb 0.39 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.45 1pg4 h PRO 320 CO 0.00 0.25 0.02 -0.07 -0.23 0.00 0.00 178.00 177.98 1pg4 h LEU 321 N 0.17 0.73 -1.49 1.56 3.38 -1.22 -1.43 115.31 117.02 1pg4 h LEU 321 Ca 0.06 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.91 1pg4 h LEU 321 Cb 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1pg4 h LEU 321 CO -0.01 0.78 0.39 0.00 0.09 0.00 0.00 178.44 179.70 1pg4 h ALA 322 N 1.30 1.72 -0.01 1.53 0.00 -1.10 -0.82 119.26 121.89 1pg4 h ALA 322 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1pg4 h ALA 322 Cb 0.41 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pg4 h ALA 322 CO 0.01 0.21 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 1pg4 n GLY 324 N 1.14 0.63 3.90 0.00 0.00 -0.31 -5.02 105.19 105.53 1pg4 n GLY 324 Ca 0.20 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1pg4 n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 s ALA 325 N -2.18 2.86 -0.26 4.61 0.00 -0.68 -4.90 121.76 121.21 1pg4 s ALA 325 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1pg4 s ALA 325 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 1pg4 s ALA 325 CO 0.00 -1.36 0.29 0.99 0.00 0.00 0.00 175.76 175.68 1pg4 s THR 326 N -3.40 5.24 -0.05 0.00 2.01 -1.25 -4.64 115.64 113.54 1pg4 s THR 326 Ca 0.60 0.41 0.04 0.00 0.31 0.00 0.00 61.69 63.05 1pg4 s THR 326 Cb -0.11 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1pg4 s THR 326 CO 0.49 0.21 -0.16 0.28 -0.69 0.00 0.00 174.62 174.75 1pg4 s THR 327 N 1.81 2.89 -0.21 -0.82 -1.32 0.24 -1.82 115.64 116.41 1pg4 s THR 327 Ca 0.12 -0.78 -0.08 0.00 -1.21 0.00 0.00 61.69 59.73 1pg4 s THR 327 Cb -0.16 -2.12 -0.04 0.00 -1.51 0.00 0.00 72.50 68.67 1pg4 s THR 327 CO 0.10 0.59 0.10 -0.22 -2.21 0.00 0.00 174.62 172.97 1pg4 s LEU 328 N -0.66 3.87 -0.30 9.08 0.20 -0.16 -0.66 118.68 130.04 1pg4 s LEU 328 Ca 0.10 0.05 -0.05 0.00 0.69 0.00 0.00 54.13 54.92 1pg4 s LEU 328 Cb -0.11 -2.01 0.03 0.00 -0.43 0.00 0.00 46.19 43.67 1pg4 s LEU 328 CO 0.01 0.11 0.06 -0.32 -0.29 0.00 0.00 176.35 175.91 1pg4 s MET 329 N 0.78 2.80 -0.15 1.98 -2.45 0.56 -4.21 119.30 118.61 1pg4 s MET 329 Ca 0.05 -1.04 -0.14 0.00 -1.25 0.00 0.00 55.69 53.31 1pg4 s MET 329 Cb -0.13 -3.32 -0.05 0.00 1.25 0.00 0.00 34.83 32.59 1pg4 s MET 329 CO 0.02 -0.54 0.29 0.12 1.05 0.00 0.00 175.02 175.97 1pg4 s PHE 330 N 1.40 3.47 0.14 4.11 5.36 -1.26 -1.58 117.98 129.63 1pg4 s PHE 330 Ca -0.00 0.61 0.09 0.00 -0.96 0.00 0.00 56.93 56.66 1pg4 s PHE 330 Cb -0.18 -2.33 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 1pg4 s PHE 330 CO 0.01 0.26 1.40 1.49 -1.46 0.00 0.00 175.22 176.93 1pg4 h GLU 331 N 6.57 0.00 0.00 10.12 4.81 -1.06 -3.46 114.58 131.56 1pg4 h GLU 331 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1pg4 h GLU 331 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1pg4 h GLU 331 CO 0.75 0.83 0.00 0.41 -0.73 0.00 0.00 179.01 180.27 1pg4 n GLY 332 N 0.99 2.16 3.36 1.92 0.00 -1.26 -4.65 105.19 107.71 1pg4 n GLY 332 Ca -0.00 -1.26 -0.28 0.00 0.00 0.00 0.00 46.02 44.48 1pg4 n GLY 332 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pg4 s VAL 333 N 4.57 2.12 0.65 1.61 -7.23 -1.26 -4.93 120.40 115.92 1pg4 s VAL 333 Ca 0.00 -1.68 0.35 0.00 -1.81 0.00 0.00 61.98 58.84 1pg4 s VAL 333 Cb 0.00 -1.88 0.37 0.00 0.56 0.00 0.00 36.38 35.43 1pg4 s VAL 333 CO 0.00 0.08 2.11 -0.65 -0.31 0.00 0.00 175.10 176.33 1pg4 h PRO 334 N 4.00 0.00 -0.01 4.82 0.11 -1.96 -2.94 132.00 136.02 1pg4 h PRO 334 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1pg4 h PRO 334 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pg4 h PRO 334 CO 0.40 0.00 -0.39 0.27 -0.21 0.00 0.00 178.00 178.07 1pg4 n ASN 335 N -3.20 1.87 -3.98 -2.05 2.04 -1.26 -1.83 115.26 106.85 1pg4 n ASN 335 Ca -0.01 -3.75 -0.20 0.00 -0.44 0.00 0.00 54.58 50.18 1pg4 n ASN 335 Cb 0.27 -0.52 -0.16 0.00 -2.53 0.00 0.00 39.78 36.85 1pg4 n ASN 335 CO 0.00 0.00 0.00 0.86 -0.44 0.00 0.00 177.26 177.68 1pg4 s TRP 336 N -3.17 0.92 0.47 -2.53 -0.00 -1.11 -3.31 118.94 110.21 1pg4 s TRP 336 Ca 0.37 -0.25 0.21 0.00 -0.00 0.00 0.00 56.10 56.43 1pg4 s TRP 336 Cb 0.35 -0.69 1.30 0.00 -0.00 0.00 0.00 33.47 34.43 1pg4 s TRP 336 CO -0.05 -0.13 2.07 -1.35 -0.00 0.00 0.00 176.95 177.50 1pg4 h PRO 337 N 6.60 0.00 -4.77 5.86 0.11 -1.88 -3.44 132.00 134.48 1pg4 h PRO 337 Ca -0.34 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.49 1pg4 h PRO 337 Cb 1.17 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 1pg4 h PRO 337 CO 0.48 0.12 -0.67 0.95 -0.21 0.00 0.00 178.00 178.67 1pg4 s THR 338 N -4.55 0.66 -0.19 -1.15 -4.23 -1.21 -5.03 115.64 99.95 1pg4 s THR 338 Ca -0.04 -1.97 0.22 0.00 -1.18 0.00 0.00 61.69 58.72 1pg4 s THR 338 Cb 0.15 -2.06 0.22 0.00 1.34 0.00 0.00 72.50 72.15 1pg4 s THR 338 CO 0.64 -0.52 1.67 -0.81 -0.54 0.00 0.00 174.62 175.06 1pg4 n PRO 339 N -0.21 0.14 0.00 3.99 -0.04 -1.24 -1.04 135.00 136.61 1pg4 n PRO 339 Ca -0.07 0.64 0.15 0.00 -0.04 0.00 0.00 63.50 64.17 1pg4 n PRO 339 Cb 0.63 -1.97 0.67 0.00 -0.04 0.00 0.00 33.50 32.79 1pg4 n PRO 339 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pg4 n ALA 340 N -1.78 2.69 -0.10 0.55 0.00 -1.20 -4.36 120.51 116.31 1pg4 n ALA 340 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 1pg4 n ALA 340 Cb 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1pg4 n ALA 340 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1pg4 h ARG 341 N 1.04 -0.10 -0.35 0.00 9.65 -1.15 -0.53 114.38 122.94 1pg4 h ARG 341 Ca 0.00 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.96 1pg4 h ARG 341 Cb 0.31 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.85 1pg4 h ARG 341 CO 0.00 -0.07 -0.07 1.98 2.80 0.00 0.00 179.97 184.61 1pg4 h MET 342 N -0.10 0.02 0.00 0.20 4.05 -1.56 0.23 114.93 117.76 1pg4 h MET 342 Ca 0.18 -0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.53 1pg4 h MET 342 Cb 0.37 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1pg4 h MET 342 CO -0.42 0.01 -0.33 0.00 0.23 0.00 0.00 176.91 176.40 1pg4 h GLN 344 N 0.00 0.73 -0.50 0.00 4.20 0.17 -1.27 115.11 118.44 1pg4 h GLN 344 Ca -0.00 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.30 1pg4 h GLN 344 Cb 0.74 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.48 1pg4 h GLN 344 CO 0.04 0.92 -0.08 0.28 -0.67 0.00 0.00 178.83 179.32 1pg4 h VAL 345 N 0.63 1.27 -0.44 -0.54 2.07 -0.46 0.61 116.25 119.40 1pg4 h VAL 345 Ca 0.08 -1.21 0.04 0.00 0.82 0.00 0.00 66.70 66.44 1pg4 h VAL 345 Cb 0.77 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1pg4 h VAL 345 CO 0.06 0.42 0.19 0.58 0.02 0.00 0.00 177.57 178.85 1pg4 h VAL 346 N 0.79 0.93 -0.16 2.57 2.07 -1.05 -1.44 116.25 119.97 1pg4 h VAL 346 Ca 0.13 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1pg4 h VAL 346 Cb 0.63 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1pg4 h VAL 346 CO 0.04 0.07 -0.07 0.44 0.02 0.00 0.00 177.57 178.07 1pg4 h ASP 347 N 0.39 0.33 -0.66 0.57 3.32 -1.00 0.88 116.42 120.25 1pg4 h ASP 347 Ca 0.20 -0.41 0.10 0.00 0.02 0.00 0.00 57.03 56.94 1pg4 h ASP 347 Cb 0.14 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 1pg4 h ASP 347 CO -0.16 0.66 0.29 0.50 -1.72 0.00 0.00 179.24 178.81 1pg4 h LYS 348 N -0.00 0.48 -0.55 3.56 3.64 -0.62 -2.66 116.57 120.42 1pg4 h LYS 348 Ca 0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pg4 h LYS 348 Cb 0.54 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1pg4 h LYS 348 CO 0.02 0.32 0.00 0.72 -2.27 0.00 0.00 179.45 178.24 1pg4 n HIS 349 N -4.94 0.73 -3.87 1.91 8.25 -0.56 -4.99 115.22 111.75 1pg4 n HIS 349 Ca 0.10 -0.50 -0.25 0.00 -0.26 0.00 0.00 57.72 56.81 1pg4 n HIS 349 Cb 0.28 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.38 1pg4 n HIS 349 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1pg4 n GLN 350 N 1.10 -3.49 -1.84 -0.41 1.13 0.17 -4.88 117.38 109.16 1pg4 n GLN 350 Ca 0.18 0.46 -0.41 0.00 -1.94 0.00 0.00 57.00 55.29 1pg4 n GLN 350 Cb 0.53 -4.64 -0.02 0.00 0.11 0.00 0.00 30.24 26.22 1pg4 n GLN 350 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1pg4 s VAL 351 N -3.85 2.22 -0.07 5.09 1.01 -0.40 -4.66 120.40 119.74 1pg4 s VAL 351 Ca 0.04 0.19 0.16 0.00 0.00 0.00 0.00 61.98 62.37 1pg4 s VAL 351 Cb -0.02 -3.12 -0.24 0.00 0.00 0.00 0.00 36.38 33.01 1pg4 s VAL 351 CO 0.87 0.03 0.25 0.59 0.00 0.00 0.00 175.10 176.84 1pg4 n ASN 352 N 2.04 1.11 -3.86 3.32 5.03 0.83 -2.84 115.26 120.90 1pg4 n ASN 352 Ca 0.07 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.29 1pg4 n ASN 352 Cb 0.38 1.45 -0.17 0.00 -1.02 0.00 0.00 39.78 40.42 1pg4 n ASN 352 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pg4 s ILE 353 N -2.88 0.64 -0.14 2.41 1.01 -0.83 -0.65 121.20 120.76 1pg4 s ILE 353 Ca -0.07 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1pg4 s ILE 353 Cb 0.09 -0.71 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1pg4 s ILE 353 CO 0.68 0.29 -0.19 -0.22 0.00 0.00 0.00 174.94 175.50 1pg4 s LEU 354 N 1.54 2.28 -0.23 2.97 2.96 -0.47 -0.58 118.68 127.15 1pg4 s LEU 354 Ca -0.01 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1pg4 s LEU 354 Cb -0.13 -1.50 0.06 0.00 0.50 0.00 0.00 46.19 45.12 1pg4 s LEU 354 CO -0.04 0.10 -0.04 -0.47 -1.32 0.00 0.00 176.35 174.57 1pg4 s TYR 355 N 0.74 2.29 0.01 5.38 5.04 -0.04 0.36 117.35 131.12 1pg4 s TYR 355 Ca -0.08 -1.70 0.00 0.00 -2.44 0.00 0.00 57.07 52.86 1pg4 s TYR 355 Cb -0.16 -1.55 -0.00 0.00 0.35 0.00 0.00 41.96 40.60 1pg4 s TYR 355 CO 0.00 -0.76 0.01 -2.37 -1.34 0.00 0.00 175.55 171.09 1pg4 n THR 356 N 4.70 0.00 -4.16 4.34 5.66 -0.79 -1.17 114.28 122.86 1pg4 n THR 356 Ca -0.11 -0.08 -0.30 0.00 -3.05 0.00 0.00 64.05 60.51 1pg4 n THR 356 Cb 0.44 0.03 -0.08 0.00 -1.55 0.00 0.00 70.33 69.17 1pg4 n THR 356 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pg4 s ALA 357 N -2.04 3.18 0.30 1.79 0.00 -1.26 -1.51 121.76 122.22 1pg4 s ALA 357 Ca 0.01 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1pg4 s ALA 357 Cb 0.00 -1.08 0.59 0.00 0.00 0.00 0.00 23.12 22.63 1pg4 s ALA 357 CO 0.01 0.66 1.86 -1.35 0.00 0.00 0.00 175.76 176.94 1pg4 h PRO 358 N 3.40 0.93 -0.84 0.00 0.11 -1.89 -1.11 132.00 132.60 1pg4 h PRO 358 Ca -0.48 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 65.59 1pg4 h PRO 358 Cb 1.17 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1pg4 h PRO 358 CO 0.57 0.61 0.55 1.15 -0.21 0.00 0.00 178.00 180.68 1pg4 h THR 359 N 0.95 1.19 -0.41 -1.15 2.02 -1.89 0.31 112.91 113.93 1pg4 h THR 359 Ca 0.46 -0.38 -0.07 0.00 0.77 0.00 0.00 66.41 67.19 1pg4 h THR 359 Cb 0.46 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1pg4 h THR 359 CO -0.22 0.20 -0.02 0.00 0.37 0.00 0.00 175.52 175.84 1pg4 h ALA 360 N 1.32 0.55 -0.66 6.16 0.00 -1.63 -0.99 119.26 124.02 1pg4 h ALA 360 Ca 0.32 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1pg4 h ALA 360 Cb -0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1pg4 h ALA 360 CO -0.08 0.36 0.43 0.82 0.00 0.00 0.00 179.25 180.78 1pg4 h ILE 361 N 0.56 1.16 -0.20 0.00 2.04 -0.49 -1.59 117.51 119.00 1pg4 h ILE 361 Ca 0.11 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.57 1pg4 h ILE 361 Cb 0.52 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1pg4 h ILE 361 CO 0.03 0.16 -0.31 0.03 0.00 0.00 0.00 178.15 178.05 1pg4 h ARG 362 N 0.88 0.41 -0.42 2.37 3.08 -0.22 0.85 114.38 121.33 1pg4 h ARG 362 Ca 0.24 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 1pg4 h ARG 362 Cb -0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1pg4 h ARG 362 CO -0.06 0.68 -0.15 0.00 -1.07 0.00 0.00 179.97 179.37 1pg4 h ALA 363 N 1.32 0.94 -0.02 0.04 0.00 -0.71 -1.26 119.26 119.57 1pg4 h ALA 363 Ca 0.05 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 54.38 1pg4 h ALA 363 Cb 0.73 -0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.37 1pg4 h ALA 363 CO 0.06 0.61 -0.92 -0.07 0.00 0.00 0.00 179.25 178.93 1pg4 h LEU 364 N 0.70 0.84 -1.86 0.00 3.38 -1.07 -3.20 115.31 114.11 1pg4 h LEU 364 Ca 0.11 -0.73 0.02 0.00 0.09 0.00 0.00 57.88 57.37 1pg4 h LEU 364 Cb 0.64 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1pg4 h LEU 364 CO 0.04 1.46 0.14 -0.03 0.09 0.00 0.00 178.44 180.14 1pg4 h MET 365 N 0.30 0.18 0.00 1.13 4.05 -0.65 0.81 114.93 120.75 1pg4 h MET 365 Ca -0.11 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1pg4 h MET 365 Cb 1.58 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.34 1pg4 h MET 365 CO 0.18 0.12 0.00 0.00 0.23 0.00 0.00 176.91 177.44 1pg4 h ALA 366 N 1.88 1.00 -0.44 0.39 0.00 -1.22 -1.14 119.26 119.73 1pg4 h ALA 366 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1pg4 h ALA 366 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1pg4 h ALA 366 CO -0.02 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.62 1pg4 n GLU 367 N -2.56 2.50 0.00 0.00 -0.58 0.27 -5.06 120.64 115.22 1pg4 n GLU 367 Ca 0.00 -2.31 0.00 0.00 -0.42 0.00 0.00 57.16 54.43 1pg4 n GLU 367 Cb 0.19 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1pg4 n GLU 367 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pg4 n GLY 368 N 1.44 2.32 0.02 0.62 0.00 -0.43 -2.02 105.19 107.14 1pg4 n GLY 368 Ca 0.19 -0.37 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1pg4 n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pg4 n ASP 369 N -0.26 0.08 0.31 1.61 9.92 -1.26 -1.84 116.55 125.11 1pg4 n ASP 369 Ca 0.00 0.53 0.20 0.00 -0.53 0.00 0.00 54.79 54.99 1pg4 n ASP 369 Cb 0.00 -0.55 0.96 0.00 -0.64 0.00 0.00 41.12 40.89 1pg4 n ASP 369 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1pg4 h LYS 370 N 0.00 0.00 0.00 -1.24 6.56 -1.76 0.24 116.57 120.37 1pg4 h LYS 370 Ca 0.00 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1pg4 h LYS 370 Cb 0.06 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.72 1pg4 h LYS 370 CO 0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 179.45 177.39 1pg4 h ALA 371 N 1.99 1.00 0.00 3.86 0.00 -1.53 -3.18 119.26 121.39 1pg4 h ALA 371 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pg4 h ALA 371 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1pg4 h ALA 371 CO 0.00 0.02 0.00 0.44 0.00 0.00 0.00 179.25 179.71 1pg4 n ILE 372 N -3.11 0.00 -1.68 0.00 -5.35 -0.55 -4.14 119.36 104.53 1pg4 n ILE 372 Ca 0.02 -0.42 -0.52 0.00 -0.27 0.00 0.00 62.75 61.55 1pg4 n ILE 372 Cb 0.38 1.12 -0.06 0.00 -1.74 0.00 0.00 39.64 39.34 1pg4 n ILE 372 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1pg4 n GLU 373 N -0.21 1.68 -0.99 6.28 2.13 -0.04 -1.16 120.64 128.33 1pg4 n GLU 373 Ca 0.00 0.62 0.00 0.00 0.66 0.00 0.00 57.16 58.44 1pg4 n GLU 373 Cb 0.03 -2.37 0.00 0.00 0.27 0.00 0.00 31.44 29.37 1pg4 n GLU 373 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pg4 n GLY 374 N 4.05 0.71 3.80 8.31 0.00 -1.26 -4.94 105.19 115.85 1pg4 n GLY 374 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1pg4 n GLY 374 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pg4 s THR 375 N -2.86 4.34 -0.24 2.61 -4.23 -0.31 -5.07 115.64 109.89 1pg4 s THR 375 Ca 0.00 -1.40 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 1pg4 s THR 375 Cb 0.00 -3.32 -0.10 0.00 1.34 0.00 0.00 72.50 70.42 1pg4 s THR 375 CO 0.00 -0.30 -0.32 -0.67 -0.54 0.00 0.00 174.62 172.79 1pg4 n ASP 376 N -0.97 1.94 0.00 3.99 -0.08 -1.26 -5.00 116.55 115.17 1pg4 n ASP 376 Ca -0.08 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1pg4 n ASP 376 Cb 0.57 -0.80 0.00 0.00 2.34 0.00 0.00 41.12 43.23 1pg4 n ASP 376 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1pg4 n ARG 377 N -4.34 -0.35 0.32 -0.67 1.74 -1.26 -4.88 116.66 107.22 1pg4 n ARG 377 Ca -0.39 0.09 0.21 0.00 -0.77 0.00 0.00 57.85 56.99 1pg4 n ARG 377 Cb 0.74 -3.84 1.06 0.00 -1.02 0.00 0.00 32.46 29.40 1pg4 n ARG 377 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pg4 h SER 378 N 0.00 0.00 1.24 0.55 0.02 -1.94 -2.76 113.55 110.66 1pg4 h SER 378 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1pg4 h SER 378 Cb 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 1pg4 h SER 378 CO 0.00 0.00 -0.06 0.77 -1.14 0.00 0.00 176.83 176.40 1pg4 h SER 379 N 0.00 0.00 -3.80 3.07 4.64 -1.90 -3.45 113.55 112.11 1pg4 h SER 379 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 1pg4 h SER 379 Cb 0.14 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.29 1pg4 h SER 379 CO 0.00 0.06 0.64 -0.76 -0.87 0.00 0.00 176.83 175.91 1pg4 s LEU 380 N -6.32 4.43 0.00 5.97 1.43 -1.04 -4.13 118.68 119.01 1pg4 s LEU 380 Ca 0.02 2.65 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 1pg4 s LEU 380 Cb 0.08 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.66 1pg4 s LEU 380 CO 0.60 -0.53 0.00 0.54 0.23 0.00 0.00 176.35 177.19 1pg4 n ARG 381 N 1.06 2.33 -4.10 1.70 1.74 0.18 -4.88 116.66 114.70 1pg4 n ARG 381 Ca 0.01 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.93 1pg4 n ARG 381 Cb 0.42 -0.79 -0.15 0.00 -1.02 0.00 0.00 32.46 30.92 1pg4 n ARG 381 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1pg4 s ILE 382 N -1.53 0.35 0.15 0.55 -1.09 -0.82 -3.91 121.20 114.90 1pg4 s ILE 382 Ca 0.00 -0.15 0.10 0.00 -2.23 0.00 0.00 60.65 58.37 1pg4 s ILE 382 Cb 0.00 -0.32 -0.04 0.00 -1.58 0.00 0.00 42.46 40.52 1pg4 s ILE 382 CO 0.00 0.12 -0.24 -0.76 -1.23 0.00 0.00 174.94 172.83 1pg4 s LEU 383 N 0.13 2.37 0.03 2.97 1.43 -0.45 -1.37 118.68 123.80 1pg4 s LEU 383 Ca -0.01 -0.79 -0.02 0.00 -1.03 0.00 0.00 54.13 52.27 1pg4 s LEU 383 Cb -0.05 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 1pg4 s LEU 383 CO -0.00 0.12 0.02 -0.83 0.23 0.00 0.00 176.35 175.88 1pg4 s GLY 384 N -2.32 0.28 -0.00 -3.19 0.00 0.16 -0.08 107.32 102.17 1pg4 s GLY 384 Ca 0.15 -0.75 0.02 0.00 0.00 0.00 0.00 44.72 44.14 1pg4 s GLY 384 CO 0.07 -0.85 -0.06 -0.45 0.00 0.00 0.00 173.10 171.81 1pg4 s SER 385 N -2.10 0.66 0.10 1.64 0.15 0.08 -1.89 113.70 112.33 1pg4 s SER 385 Ca -0.06 -0.10 -0.17 0.00 0.70 0.00 0.00 55.95 56.32 1pg4 s SER 385 Cb -0.02 -0.08 0.04 0.00 -1.71 0.00 0.00 66.02 64.25 1pg4 s SER 385 CO -0.05 0.07 0.41 0.54 1.20 0.00 0.00 173.24 175.41 1pg4 s VAL 386 N -0.11 0.06 0.00 4.45 0.11 -0.57 -1.20 120.40 123.14 1pg4 s VAL 386 Ca 0.02 -0.52 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1pg4 s VAL 386 Cb -0.02 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1pg4 s VAL 386 CO -0.00 -0.29 0.00 0.61 -3.33 0.00 0.00 175.10 172.09 1pg4 n GLY 387 N 0.03 3.12 3.74 6.54 0.00 -1.26 -4.13 105.19 113.24 1pg4 n GLY 387 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 1pg4 n GLY 387 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1pg4 s GLU 388 N -0.57 0.92 0.70 1.61 -1.05 -1.26 -4.81 118.70 114.24 1pg4 s GLU 388 Ca 0.00 -0.53 -0.14 0.00 -0.15 0.00 0.00 54.97 54.15 1pg4 s GLU 388 Cb 0.00 0.30 0.02 0.00 -0.44 0.00 0.00 34.13 34.01 1pg4 s GLU 388 CO 0.00 -0.42 1.14 -2.14 0.95 0.00 0.00 175.26 174.79 1pg4 s PRO 389 N -2.79 2.47 -0.07 -4.83 0.02 -1.26 -4.84 135.00 123.70 1pg4 s PRO 389 Ca 0.15 1.49 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1pg4 s PRO 389 Cb 0.01 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.65 1pg4 s PRO 389 CO 0.01 -1.52 -0.04 -1.50 -0.33 0.00 0.00 177.00 173.61 1pg4 s ILE 390 N -2.29 0.64 0.57 2.83 2.07 -1.26 -4.85 121.20 118.90 1pg4 s ILE 390 Ca 0.69 -0.11 -0.16 0.00 -1.41 0.00 0.00 60.65 59.66 1pg4 s ILE 390 Cb -0.23 -0.70 -0.05 0.00 0.13 0.00 0.00 42.46 41.61 1pg4 s ILE 390 CO 0.44 0.28 1.02 0.54 -1.91 0.00 0.00 174.94 175.32 1pg4 s ASN 391 N 1.40 6.16 0.42 4.50 4.22 -1.26 -4.20 114.94 126.18 1pg4 s ASN 391 Ca -0.03 1.68 0.22 0.00 -2.14 0.00 0.00 52.86 52.59 1pg4 s ASN 391 Cb -0.13 -2.52 1.20 0.00 1.28 0.00 0.00 41.25 41.08 1pg4 s ASN 391 CO -0.03 -0.91 1.76 -0.65 -2.04 0.00 0.00 177.10 175.23 1pg4 h PRO 392 N 0.55 0.30 -0.08 3.55 0.11 -1.94 -1.37 132.00 133.11 1pg4 h PRO 392 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1pg4 h PRO 392 Cb 1.20 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1pg4 h PRO 392 CO 0.59 0.20 0.01 1.49 -0.21 0.00 0.00 178.00 180.08 1pg4 h GLU 393 N 0.31 0.14 -0.49 1.05 4.81 -1.93 -1.02 114.58 117.44 1pg4 h GLU 393 Ca 0.62 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.71 1pg4 h GLU 393 Cb 1.73 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.07 1pg4 h GLU 393 CO -0.28 0.38 -0.10 0.00 -0.73 0.00 0.00 179.01 178.28 1pg4 h ALA 394 N 0.75 0.89 -0.05 2.92 0.00 -1.72 -1.54 119.26 120.52 1pg4 h ALA 394 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pg4 h ALA 394 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pg4 h ALA 394 CO 0.00 0.64 0.03 2.35 0.00 0.00 0.00 179.25 182.27 1pg4 h TRP 395 N 0.81 0.06 -0.65 0.00 7.01 -1.21 -0.29 115.95 121.67 1pg4 h TRP 395 Ca 0.13 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.08 1pg4 h TRP 395 Cb 0.63 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.64 1pg4 h TRP 395 CO 0.04 0.04 0.20 0.93 -2.79 0.00 0.00 178.44 176.86 1pg4 h GLU 396 N 0.06 1.01 -0.47 2.65 4.39 -1.06 0.82 114.58 121.98 1pg4 h GLU 396 Ca 0.02 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 1pg4 h GLU 396 Cb -0.00 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1pg4 h GLU 396 CO -0.00 0.88 0.29 2.35 -1.16 0.00 0.00 179.01 181.37 1pg4 h TRP 397 N 0.94 0.61 0.16 4.33 7.01 -1.07 0.28 115.95 128.22 1pg4 h TRP 397 Ca 0.21 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.20 1pg4 h TRP 397 Cb 0.30 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1pg4 h TRP 397 CO 0.02 0.42 -0.10 -0.92 -2.79 0.00 0.00 178.44 175.07 1pg4 h TYR 398 N 0.62 -0.26 -0.83 2.65 3.20 -0.75 0.15 116.97 121.76 1pg4 h TYR 398 Ca 0.17 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.06 1pg4 h TYR 398 Cb -0.01 0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 1pg4 h TYR 398 CO -0.03 -0.16 0.55 2.35 -1.64 0.00 0.00 178.16 179.23 1pg4 h TRP 399 N -0.26 1.01 0.00 -3.82 7.01 -0.47 -1.95 115.95 117.46 1pg4 h TRP 399 Ca -0.01 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 60.93 1pg4 h TRP 399 Cb 0.22 -0.34 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1pg4 h TRP 399 CO -0.09 0.60 -0.53 -0.22 -2.79 0.00 0.00 178.44 175.42 1pg4 h LYS 400 N 1.06 0.00 -0.04 2.65 3.64 -0.21 -0.39 116.57 123.27 1pg4 h LYS 400 Ca 0.32 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.49 1pg4 h LYS 400 Cb -0.01 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1pg4 h LYS 400 CO -0.09 0.69 -0.79 0.87 -2.27 0.00 0.00 179.45 177.87 1pg4 h LYS 401 N -1.00 0.61 0.06 1.90 1.79 -0.79 -1.40 116.57 117.74 1pg4 h LYS 401 Ca -0.12 -0.60 -0.26 0.00 -2.18 0.00 0.00 60.65 57.48 1pg4 h LYS 401 Cb 0.88 0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.67 1pg4 h LYS 401 CO -0.08 1.21 -1.40 0.82 -1.08 0.00 0.00 179.45 178.92 1pg4 h ILE 402 N 0.23 0.93 -0.01 1.86 1.08 -1.48 -3.37 117.51 116.75 1pg4 h ILE 402 Ca -0.09 -2.29 0.00 0.00 -0.39 0.00 0.00 64.86 62.09 1pg4 h ILE 402 Cb 1.46 2.49 0.00 0.00 -3.07 0.00 0.00 36.82 37.70 1pg4 h ILE 402 CO 0.16 0.57 -0.13 0.61 -0.69 0.00 0.00 178.15 178.67 1pg4 n GLY 403 N 1.66 -0.76 2.74 5.37 0.00 -0.83 -4.93 105.19 108.44 1pg4 n GLY 403 Ca -0.29 -0.32 -0.18 0.00 0.00 0.00 0.00 46.02 45.24 1pg4 n GLY 403 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pg4 n LYS 404 N -0.76 -2.84 -1.92 1.61 5.02 -0.53 -1.37 118.16 117.37 1pg4 n LYS 404 Ca 0.15 0.67 -0.20 0.00 -2.02 0.00 0.00 58.31 56.91 1pg4 n LYS 404 Cb 0.30 -5.35 -0.05 0.00 -0.02 0.00 0.00 35.03 29.90 1pg4 n LYS 404 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pg4 n GLU 405 N -3.24 -1.56 0.00 1.97 1.02 -0.17 -4.82 120.64 113.84 1pg4 n GLU 405 Ca -0.12 1.10 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1pg4 n GLU 405 Cb 0.61 -5.59 0.00 0.00 -0.02 0.00 0.00 31.44 26.43 1pg4 n GLU 405 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1pg4 n LYS 406 N -2.61 4.47 -4.62 3.49 5.02 -0.47 -5.04 118.16 118.41 1pg4 n LYS 406 Ca -0.22 -0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 55.63 1pg4 n LYS 406 Cb 0.67 -0.58 -0.14 0.00 -0.02 0.00 0.00 35.03 34.96 1pg4 n LYS 406 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pg4 s PRO 408 N 0.41 3.22 -0.20 0.00 0.02 -1.25 -4.70 135.00 132.49 1pg4 s PRO 408 Ca -0.08 1.75 -0.04 0.00 0.02 0.00 0.00 61.00 62.64 1pg4 s PRO 408 Cb -0.15 -2.02 -0.02 0.00 0.02 0.00 0.00 34.50 32.33 1pg4 s PRO 408 CO 0.04 -0.99 -0.03 0.08 -0.33 0.00 0.00 177.00 175.78 1pg4 s VAL 409 N -1.65 3.63 -0.44 3.83 1.01 -1.26 -1.34 120.40 124.19 1pg4 s VAL 409 Ca 0.74 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 1pg4 s VAL 409 Cb -0.28 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.52 1pg4 s VAL 409 CO 0.31 0.43 0.32 0.68 0.00 0.00 0.00 175.10 176.84 1pg4 s VAL 410 N 1.17 4.92 -0.58 2.92 -7.23 0.88 -4.89 120.40 117.60 1pg4 s VAL 410 Ca 0.02 -1.04 -0.21 0.00 -1.81 0.00 0.00 61.98 58.94 1pg4 s VAL 410 Cb -0.14 -3.89 0.06 0.00 0.56 0.00 0.00 36.38 32.97 1pg4 s VAL 410 CO 0.00 -0.47 0.82 -0.62 -0.31 0.00 0.00 175.10 174.52 1pg4 s ASP 411 N 2.19 6.23 -0.34 4.85 2.15 -1.26 -0.75 116.67 129.74 1pg4 s ASP 411 Ca 0.04 -0.88 -0.17 0.00 0.43 0.00 0.00 52.55 51.97 1pg4 s ASP 411 Cb -0.22 -2.37 -0.01 0.00 -0.30 0.00 0.00 42.92 40.02 1pg4 s ASP 411 CO 0.06 -1.18 0.45 0.42 -0.17 0.00 0.00 175.17 174.75 1pg4 s THR 412 N 3.42 5.09 -0.17 1.71 -4.23 -0.34 -4.32 115.64 116.78 1pg4 s THR 412 Ca 0.21 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1pg4 s THR 412 Cb -0.18 -3.89 -0.05 0.00 1.34 0.00 0.00 72.50 69.73 1pg4 s THR 412 CO 0.12 -0.13 0.19 0.86 -0.54 0.00 0.00 174.62 175.12 1pg4 s TRP 413 N 2.23 3.46 0.03 3.99 -0.00 -0.05 -4.39 118.94 124.20 1pg4 s TRP 413 Ca 0.16 0.45 -0.09 0.00 -0.00 0.00 0.00 56.10 56.62 1pg4 s TRP 413 Cb -0.16 -2.19 0.03 0.00 -0.00 0.00 0.00 33.47 31.15 1pg4 s TRP 413 CO 0.12 0.34 0.41 -2.67 -0.00 0.00 0.00 176.95 175.15 1pg4 n TRP 414 N 3.31 -0.57 -4.01 5.86 4.27 -1.26 -1.65 117.44 123.39 1pg4 n TRP 414 Ca -0.15 -0.36 -0.10 0.00 -3.89 0.00 0.00 57.50 53.00 1pg4 n TRP 414 Cb 0.52 0.17 -0.06 0.00 -1.36 0.00 0.00 31.31 30.59 1pg4 n TRP 414 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 1pg4 s GLN 415 N -2.01 1.44 0.27 -2.67 -0.21 -1.26 -4.95 119.66 110.26 1pg4 s GLN 415 Ca 0.09 -1.27 -0.01 0.00 0.02 0.00 0.00 55.36 54.19 1pg4 s GLN 415 Cb -0.01 0.43 0.47 0.00 1.00 0.00 0.00 33.01 34.90 1pg4 s GLN 415 CO 0.01 -0.58 1.84 1.15 -2.12 0.00 0.00 175.29 175.59 1pg4 h THR 416 N 2.34 0.96 0.00 -0.19 2.02 -1.98 -0.07 112.91 115.99 1pg4 h THR 416 Ca -0.28 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1pg4 h THR 416 Cb 1.25 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1pg4 h THR 416 CO 0.39 0.18 0.00 -0.62 0.37 0.00 0.00 175.52 175.84 1pg4 n GLU 417 N -4.63 0.05 0.00 6.66 4.71 -1.26 -2.97 120.64 123.21 1pg4 n GLU 417 Ca 0.16 0.22 0.08 0.00 -0.01 0.00 0.00 57.16 57.61 1pg4 n GLU 417 Cb 0.29 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.18 1pg4 n GLU 417 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1pg4 n THR 418 N -1.45 0.00 0.00 2.62 -2.24 -0.05 -1.02 114.28 112.14 1pg4 n THR 418 Ca 0.05 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 1pg4 n THR 418 Cb 0.17 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1pg4 n THR 418 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg4 n GLY 419 N 1.29 0.77 3.20 3.38 0.00 -1.14 -3.66 105.19 109.04 1pg4 n GLY 419 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1pg4 n GLY 419 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pg4 n GLY 420 N 0.00 1.82 3.56 -0.02 0.00 -1.26 -4.81 105.19 104.47 1pg4 n GLY 420 Ca 0.00 -1.48 -0.48 0.00 0.00 0.00 0.00 46.02 44.07 1pg4 n GLY 420 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pg4 n PHE 421 N -0.52 1.10 -0.03 1.61 0.99 -1.26 -4.64 117.46 114.72 1pg4 n PHE 421 Ca -0.02 0.72 -0.06 0.00 -0.00 0.00 0.00 57.45 58.09 1pg4 n PHE 421 Cb 0.54 -2.24 -0.02 0.00 -1.00 0.00 0.00 39.48 36.77 1pg4 n PHE 421 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1pg4 n MET 422 N 1.38 0.12 -3.93 -1.08 2.81 -0.66 -4.81 117.12 110.94 1pg4 n MET 422 Ca 0.14 0.05 -0.28 0.00 -1.81 0.00 0.00 57.70 55.80 1pg4 n MET 422 Cb 0.26 -0.70 -0.17 0.00 -0.71 0.00 0.00 33.22 31.91 1pg4 n MET 422 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1pg4 s ILE 423 N -2.10 1.21 -0.01 2.02 1.01 -0.94 -0.49 121.20 121.89 1pg4 s ILE 423 Ca -0.08 -0.51 -0.28 0.00 0.00 0.00 0.00 60.65 59.78 1pg4 s ILE 423 Cb 0.03 -1.25 0.09 0.00 0.01 0.00 0.00 42.46 41.34 1pg4 s ILE 423 CO 0.10 0.31 0.81 0.28 0.00 0.00 0.00 174.94 176.43 1pg4 s THR 424 N 1.62 0.00 0.58 2.92 -1.32 -0.16 -0.87 115.64 118.41 1pg4 s THR 424 Ca 0.03 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.43 1pg4 s THR 424 Cb -0.14 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.83 1pg4 s THR 424 CO -0.09 0.00 0.93 -2.84 -2.21 0.00 0.00 174.62 170.41 1pg4 s PRO 425 N -2.53 3.34 -0.15 7.08 0.02 -1.16 -4.16 135.00 137.45 1pg4 s PRO 425 Ca -0.00 0.37 0.01 0.00 0.02 0.00 0.00 61.00 61.39 1pg4 s PRO 425 Cb -0.01 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.30 1pg4 s PRO 425 CO -0.05 -0.53 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.41 1pg4 s LEU 426 N -5.01 2.39 0.31 -5.54 1.02 -1.26 -4.82 118.68 105.76 1pg4 s LEU 426 Ca 0.53 -0.50 0.08 0.00 0.02 0.00 0.00 54.13 54.25 1pg4 s LEU 426 Cb -0.11 -1.53 0.84 0.00 0.02 0.00 0.00 46.19 45.41 1pg4 s LEU 426 CO 0.49 0.08 1.70 1.55 0.02 0.00 0.00 176.35 180.20 1pg4 h PRO 427 N 7.31 0.45 -0.67 1.29 0.13 -1.81 -1.02 132.00 137.68 1pg4 h PRO 427 Ca -0.32 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1pg4 h PRO 427 Cb 1.19 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pg4 h PRO 427 CO 0.56 0.30 0.00 0.41 -0.23 0.00 0.00 178.00 179.04 1pg4 n GLY 428 N -1.32 2.53 0.00 1.56 0.00 -1.26 -4.52 105.19 102.18 1pg4 n GLY 428 Ca 0.25 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1pg4 n GLY 428 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 n ALA 429 N 1.47 1.54 -3.49 4.61 0.00 -0.81 -3.49 120.51 120.34 1pg4 n ALA 429 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.39 1pg4 n ALA 429 Cb 0.59 0.05 -0.17 0.00 0.00 0.00 0.00 19.45 19.93 1pg4 n ALA 429 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pg4 s ILE 430 N -1.54 1.44 0.37 0.00 1.01 -0.45 -4.07 121.20 117.96 1pg4 s ILE 430 Ca 0.00 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 59.76 1pg4 s ILE 430 Cb 0.00 -1.30 -0.09 0.00 0.01 0.00 0.00 42.46 41.08 1pg4 s ILE 430 CO 0.00 0.43 1.08 -1.61 0.00 0.00 0.00 174.94 174.84 1pg4 s GLU 431 N 0.73 4.27 0.14 2.79 2.02 -1.26 -4.70 118.70 122.68 1pg4 s GLU 431 Ca -0.12 1.64 -0.03 0.00 0.02 0.00 0.00 54.97 56.48 1pg4 s GLU 431 Cb -0.16 -2.73 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 1pg4 s GLU 431 CO 0.03 -0.08 0.35 -0.51 0.02 0.00 0.00 175.26 175.06 1pg4 s LEU 432 N -2.30 4.28 -0.12 1.80 1.43 -0.68 -4.85 118.68 118.23 1pg4 s LEU 432 Ca 0.54 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1pg4 s LEU 432 Cb -0.26 -3.23 0.02 0.00 0.03 0.00 0.00 46.19 42.75 1pg4 s LEU 432 CO 0.33 0.06 -0.11 -0.54 0.23 0.00 0.00 176.35 176.32 1pg4 s LYS 433 N -2.73 1.90 -0.13 1.70 1.02 -1.26 -0.32 119.74 119.92 1pg4 s LYS 433 Ca 0.40 -0.41 -0.33 0.00 0.02 0.00 0.00 55.97 55.64 1pg4 s LYS 433 Cb -0.12 -1.79 -0.11 0.00 -0.52 0.00 0.00 37.83 35.30 1pg4 s LYS 433 CO 0.26 -0.20 1.96 0.00 -0.92 0.00 0.00 175.35 176.45 1pg4 n ALA 434 N 4.68 1.04 -0.00 5.17 0.00 -1.26 -1.29 120.51 128.85 1pg4 n ALA 434 Ca -0.16 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1pg4 n ALA 434 Cb 0.50 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1pg4 n ALA 434 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pg4 n GLY 435 N 4.82 0.20 3.62 0.00 0.00 -1.26 -4.36 105.19 108.21 1pg4 n GLY 435 Ca 0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 1pg4 n GLY 435 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pg4 s SER 436 N -2.39 5.23 0.27 1.61 0.15 -0.41 -4.73 113.70 113.43 1pg4 s SER 436 Ca 0.00 0.06 0.26 0.00 0.70 0.00 0.00 55.95 56.97 1pg4 s SER 436 Cb 0.00 -1.69 0.86 0.00 -1.71 0.00 0.00 66.02 63.48 1pg4 s SER 436 CO 0.00 0.27 1.76 0.00 1.20 0.00 0.00 173.24 176.47 1pg4 h ALA 437 N 5.95 1.00 -0.32 5.45 0.00 -1.67 -3.44 119.26 126.23 1pg4 h ALA 437 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1pg4 h ALA 437 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1pg4 h ALA 437 CO 0.61 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.11 1pg4 n THR 438 N -2.40 0.00 -4.12 0.00 -2.24 -1.17 -2.63 114.28 101.72 1pg4 n THR 438 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 1pg4 n THR 438 Cb 0.37 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.55 1pg4 n THR 438 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pg4 s ARG 439 N 0.00 2.86 0.55 -0.78 0.52 -1.26 -0.60 118.95 120.25 1pg4 s ARG 439 Ca 0.00 -1.04 -0.20 0.00 -0.52 0.00 0.00 55.73 53.97 1pg4 s ARG 439 Cb 0.00 -2.55 -0.05 0.00 0.52 0.00 0.00 34.95 32.87 1pg4 s ARG 439 CO 0.00 0.42 1.17 -1.25 0.02 0.00 0.00 175.30 175.66 1pg4 s PRO 440 N -3.65 3.26 0.85 3.54 0.04 -1.26 -0.99 135.00 136.79 1pg4 s PRO 440 Ca 0.32 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 62.96 1pg4 s PRO 440 Cb -0.08 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.53 1pg4 s PRO 440 CO 0.24 -0.95 1.19 0.12 0.04 0.00 0.00 177.00 177.63 1pg4 s PHE 441 N -1.66 2.67 0.25 0.56 5.36 0.35 -4.82 117.98 120.69 1pg4 s PHE 441 Ca 0.73 0.72 -0.31 0.00 -0.96 0.00 0.00 56.93 57.11 1pg4 s PHE 441 Cb -0.27 -3.55 -0.13 0.00 -0.34 0.00 0.00 43.02 38.73 1pg4 s PHE 441 CO 0.31 -2.03 1.41 1.19 -1.46 0.00 0.00 175.22 174.64 1pg4 n PHE 442 N -3.48 2.20 -0.85 10.12 0.99 -1.26 -1.68 117.46 123.50 1pg4 n PHE 442 Ca 0.09 0.43 0.00 0.00 -0.00 0.00 0.00 57.45 57.97 1pg4 n PHE 442 Cb 0.60 -2.46 0.00 0.00 -1.00 0.00 0.00 39.48 36.62 1pg4 n PHE 442 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1pg4 n GLY 443 N 2.09 1.13 3.50 1.37 0.00 -1.26 -5.02 105.19 107.01 1pg4 n GLY 443 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1pg4 n GLY 443 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pg4 s VAL 444 N -3.78 4.56 -0.64 1.61 1.01 -0.68 -4.54 120.40 117.94 1pg4 s VAL 444 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1pg4 s VAL 444 Cb 0.00 -3.13 0.16 0.00 0.00 0.00 0.00 36.38 33.41 1pg4 s VAL 444 CO 0.00 0.34 0.44 -1.10 0.00 0.00 0.00 175.10 174.79 1pg4 s GLN 445 N 1.43 2.49 0.68 2.72 -0.21 -1.26 -4.66 119.66 120.84 1pg4 s GLN 445 Ca 0.06 -2.77 -0.11 0.00 0.02 0.00 0.00 55.36 52.56 1pg4 s GLN 445 Cb -0.15 -3.61 -0.00 0.00 1.00 0.00 0.00 33.01 30.25 1pg4 s GLN 445 CO 0.05 -1.18 1.06 -1.25 -2.12 0.00 0.00 175.29 171.84 1pg4 s PRO 446 N -0.49 3.07 0.08 2.91 0.04 -1.26 -0.98 135.00 138.37 1pg4 s PRO 446 Ca 0.19 0.78 -0.21 0.00 0.04 0.00 0.00 61.00 61.80 1pg4 s PRO 446 Cb -0.18 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.39 1pg4 s PRO 446 CO -0.05 -0.95 0.52 0.00 0.04 0.00 0.00 177.00 176.55 1pg4 s ALA 447 N -3.15 -1.32 -0.16 8.56 0.00 -0.27 -4.84 121.76 120.59 1pg4 s ALA 447 Ca 0.57 0.46 0.01 0.00 0.00 0.00 0.00 51.96 53.01 1pg4 s ALA 447 Cb -0.13 0.54 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1pg4 s ALA 447 CO 0.54 -0.59 -0.20 -0.51 0.00 0.00 0.00 175.76 175.01 1pg4 s LEU 448 N -2.29 2.03 0.16 0.00 1.43 -1.26 -1.44 118.68 117.31 1pg4 s LEU 448 Ca -0.02 -0.60 0.10 0.00 -1.03 0.00 0.00 54.13 52.58 1pg4 s LEU 448 Cb -0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 1pg4 s LEU 448 CO -0.06 0.02 -0.22 0.68 0.23 0.00 0.00 176.35 177.00 1pg4 s VAL 449 N 1.14 2.04 0.96 -1.59 -7.23 -0.70 0.50 120.40 115.51 1pg4 s VAL 449 Ca 0.00 -1.86 -0.15 0.00 -1.81 0.00 0.00 61.98 58.16 1pg4 s VAL 449 Cb -0.14 -1.90 0.18 0.00 0.56 0.00 0.00 36.38 35.08 1pg4 s VAL 449 CO -0.08 -0.14 1.23 1.51 -0.31 0.00 0.00 175.10 177.31 1pg4 s ASP 450 N -2.43 3.12 0.00 4.85 1.47 -0.46 -0.60 116.67 122.62 1pg4 s ASP 450 Ca 0.15 0.55 0.00 0.00 1.18 0.00 0.00 52.55 54.44 1pg4 s ASP 450 Cb -0.08 -0.81 0.00 0.00 -0.34 0.00 0.00 42.92 41.69 1pg4 s ASP 450 CO 0.07 -2.75 0.94 0.59 0.68 0.00 0.00 175.17 174.70 1pg4 n ASN 451 N -3.83 0.00 -0.37 2.11 3.02 -1.26 -0.17 115.26 114.76 1pg4 n ASN 451 Ca 0.12 0.44 0.11 0.00 -0.03 0.00 0.00 54.58 55.22 1pg4 n ASN 451 Cb 0.60 -0.44 0.06 0.00 -0.61 0.00 0.00 39.78 39.39 1pg4 n ASN 451 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pg4 n GLU 452 N -1.44 0.95 -0.36 3.52 4.71 -1.26 -4.96 120.64 121.80 1pg4 n GLU 452 Ca 0.00 -0.75 0.00 0.00 -0.01 0.00 0.00 57.16 56.40 1pg4 n GLU 452 Cb 0.00 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 28.95 1pg4 n GLU 452 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pg4 n GLY 453 N 1.42 0.76 3.68 0.62 0.00 0.77 -5.05 105.19 107.38 1pg4 n GLY 453 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1pg4 n GLY 453 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg4 s HIS 454 N -2.32 3.44 0.29 1.61 3.76 -1.26 -4.75 115.29 116.07 1pg4 s HIS 454 Ca 0.00 1.46 -0.29 0.00 -0.15 0.00 0.00 55.06 56.07 1pg4 s HIS 454 Cb 0.00 -3.15 -0.10 0.00 1.11 0.00 0.00 32.58 30.44 1pg4 s HIS 454 CO 0.00 -0.29 1.39 -1.25 -0.85 0.00 0.00 174.74 173.74 1pg4 s PRO 455 N 2.33 4.30 -0.22 8.40 0.04 -1.26 -1.36 135.00 147.22 1pg4 s PRO 455 Ca 0.44 2.28 -0.07 0.00 0.04 0.00 0.00 61.00 63.69 1pg4 s PRO 455 Cb -0.17 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 1pg4 s PRO 455 CO 0.13 -0.33 0.05 -0.65 0.04 0.00 0.00 177.00 176.24 1pg4 s GLN 456 N -1.01 3.72 0.39 4.56 -1.52 0.18 -4.93 119.66 121.05 1pg4 s GLN 456 Ca 0.55 -0.46 0.02 0.00 -1.95 0.00 0.00 55.36 53.52 1pg4 s GLN 456 Cb -0.41 -3.24 -0.01 0.00 -0.22 0.00 0.00 33.01 29.13 1pg4 s GLN 456 CO 0.48 -0.03 0.58 -1.21 -0.25 0.00 0.00 175.29 174.86 1pg4 s GLU 457 N 1.18 3.22 2.54 2.91 2.02 -1.26 -4.55 118.70 124.75 1pg4 s GLU 457 Ca 0.04 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.48 1pg4 s GLU 457 Cb -0.14 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.43 1pg4 s GLU 457 CO 0.03 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.66 1pg4 n GLY 458 N -1.88 0.01 3.62 -1.39 0.00 -1.26 -4.54 105.19 99.75 1pg4 n GLY 458 Ca -0.01 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1pg4 n GLY 458 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pg4 s ALA 459 N -1.75 3.15 0.00 4.61 0.00 -1.26 -4.81 121.76 121.71 1pg4 s ALA 459 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.56 1pg4 s ALA 459 Cb 0.00 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.20 1pg4 s ALA 459 CO 0.00 -2.15 0.00 -2.37 0.00 0.00 0.00 175.76 171.24 1pg4 n THR 460 N 6.69 0.00 -3.80 0.00 5.66 -0.68 -4.98 114.28 117.17 1pg4 n THR 460 Ca 0.21 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.12 1pg4 n THR 460 Cb 0.45 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.17 1pg4 n THR 460 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1pg4 s GLU 461 N -1.70 1.02 0.00 1.09 -1.05 -1.26 0.03 118.70 116.83 1pg4 s GLU 461 Ca 0.00 -0.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 1pg4 s GLU 461 Cb 0.00 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1pg4 s GLU 461 CO 0.00 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.25 1pg4 n GLY 462 N -0.16 -0.64 3.70 -3.83 0.00 -0.36 -4.84 105.19 99.05 1pg4 n GLY 462 Ca -0.13 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1pg4 n GLY 462 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pg4 s ASN 463 N -4.00 7.19 -0.28 1.61 0.01 0.23 -1.47 114.94 118.23 1pg4 s ASN 463 Ca 0.00 1.81 -0.27 0.00 -0.71 0.00 0.00 52.86 53.69 1pg4 s ASN 463 Cb 0.00 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1pg4 s ASN 463 CO 0.00 -0.42 0.95 -0.22 -1.51 0.00 0.00 177.10 175.90 1pg4 s LEU 464 N 1.37 4.04 0.25 0.60 2.96 -0.24 -1.73 118.68 125.94 1pg4 s LEU 464 Ca 0.55 1.05 0.06 0.00 -0.22 0.00 0.00 54.13 55.57 1pg4 s LEU 464 Cb -0.25 -3.37 -0.05 0.00 0.50 0.00 0.00 46.19 43.02 1pg4 s LEU 464 CO 0.26 -0.69 -0.07 0.68 -1.32 0.00 0.00 176.35 175.20 1pg4 s VAL 465 N 3.21 1.58 -0.16 1.68 -7.23 -0.52 -2.31 120.40 116.65 1pg4 s VAL 465 Ca 0.40 -2.14 0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1pg4 s VAL 465 Cb -0.14 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1pg4 s VAL 465 CO 0.11 -0.39 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.69 1pg4 s ILE 466 N -3.06 1.88 -2.06 -0.62 -1.09 -0.30 -1.12 121.20 114.84 1pg4 s ILE 466 Ca 0.27 -0.84 0.31 0.00 -2.23 0.00 0.00 60.65 58.17 1pg4 s ILE 466 Cb 0.03 -1.71 0.82 0.00 -1.58 0.00 0.00 42.46 40.02 1pg4 s ILE 466 CO 0.10 0.51 2.13 0.35 -1.23 0.00 0.00 174.94 176.80 1pg4 n THR 467 N 4.52 0.00 -3.83 2.92 -2.24 -0.16 -1.67 114.28 113.82 1pg4 n THR 467 Ca -0.20 -0.05 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 1pg4 n THR 467 Cb 0.50 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.39 1pg4 n THR 467 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pg4 s ASP 468 N -2.03 -0.25 0.84 3.42 -1.08 -1.26 -4.88 116.67 111.42 1pg4 s ASP 468 Ca 0.45 -0.60 -0.12 0.00 -0.52 0.00 0.00 52.55 51.76 1pg4 s ASP 468 Cb 0.22 0.67 0.10 0.00 -1.46 0.00 0.00 42.92 42.44 1pg4 s ASP 468 CO 0.37 -1.23 1.17 -0.55 0.52 0.00 0.00 175.17 175.45 1pg4 s SER 469 N -2.92 4.22 0.03 -0.34 0.15 -1.26 -4.76 113.70 108.82 1pg4 s SER 469 Ca 0.12 0.81 -0.10 0.00 0.70 0.00 0.00 55.95 57.48 1pg4 s SER 469 Cb -0.04 -1.30 0.01 0.00 -1.71 0.00 0.00 66.02 62.98 1pg4 s SER 469 CO 0.04 -2.09 0.20 -1.66 1.20 0.00 0.00 173.24 170.94 1pg4 s TRP 470 N -3.52 0.02 0.31 3.44 -2.14 -1.26 -4.85 118.94 110.94 1pg4 s TRP 470 Ca 0.63 -0.18 0.08 0.00 2.66 0.00 0.00 56.10 59.29 1pg4 s TRP 470 Cb -0.12 -0.01 0.88 0.00 -3.10 0.00 0.00 33.47 31.12 1pg4 s TRP 470 CO 0.50 -0.40 1.69 -1.35 -2.66 0.00 0.00 176.95 174.72 1pg4 h PRO 471 N 3.63 0.38 -0.11 3.25 0.11 -1.92 -2.58 132.00 134.77 1pg4 h PRO 471 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1pg4 h PRO 471 Cb 1.19 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1pg4 h PRO 471 CO 0.46 0.25 0.00 0.41 -0.21 0.00 0.00 178.00 178.91 1pg4 n GLY 472 N -1.32 -0.29 3.75 -0.55 0.00 -1.24 -3.19 105.19 102.36 1pg4 n GLY 472 Ca 0.26 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pg4 n GLY 472 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1pg4 s GLN 473 N -1.86 4.20 0.35 1.61 0.74 -0.97 -2.87 119.66 120.86 1pg4 s GLN 473 Ca 0.25 2.43 -0.28 0.00 0.05 0.00 0.00 55.36 57.81 1pg4 s GLN 473 Cb 0.13 -3.06 -0.12 0.00 1.10 0.00 0.00 33.01 31.07 1pg4 s GLN 473 CO 0.20 -0.49 1.41 0.00 -0.55 0.00 0.00 175.29 175.86 1pg4 n ALA 474 N 1.89 1.87 0.05 1.58 0.00 -0.19 -4.85 120.51 120.85 1pg4 n ALA 474 Ca 0.06 0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.85 1pg4 n ALA 474 Cb 0.39 -2.35 -0.07 0.00 0.00 0.00 0.00 19.45 17.43 1pg4 n ALA 474 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pg4 h ARG 475 N 3.01 0.00 0.00 0.00 2.47 -1.57 -3.50 114.38 114.79 1pg4 h ARG 475 Ca -0.48 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.38 1pg4 h ARG 475 Cb 1.26 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.55 1pg4 h ARG 475 CO 0.65 0.35 0.40 -2.37 0.56 0.00 0.00 179.97 179.56 1pg4 n THR 476 N -2.96 0.00 -4.70 2.04 5.66 -1.24 -4.79 114.28 108.29 1pg4 n THR 476 Ca -0.08 -0.12 -0.33 0.00 -3.05 0.00 0.00 64.05 60.47 1pg4 n THR 476 Cb 0.84 0.29 -0.14 0.00 -1.55 0.00 0.00 70.33 69.77 1pg4 n THR 476 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1pg4 s LEU 477 N 0.00 2.83 -0.13 1.09 1.43 -1.26 -1.25 118.68 121.40 1pg4 s LEU 477 Ca 0.14 -0.28 -0.38 0.00 -1.03 0.00 0.00 54.13 52.57 1pg4 s LEU 477 Cb -0.01 -1.65 -0.16 0.00 0.03 0.00 0.00 46.19 44.41 1pg4 s LEU 477 CO 0.00 0.17 1.60 0.33 0.23 0.00 0.00 176.35 178.68 1pg4 n PHE 478 N 3.51 1.88 -1.03 0.29 7.35 0.12 -1.07 117.46 128.51 1pg4 n PHE 478 Ca -0.18 0.54 -0.01 0.00 -0.76 0.00 0.00 57.45 57.04 1pg4 n PHE 478 Cb 0.53 -2.43 -0.00 0.00 0.35 0.00 0.00 39.48 37.93 1pg4 n PHE 478 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pg4 n GLY 479 N 3.58 0.21 2.63 7.13 0.00 -1.26 -4.76 105.19 112.73 1pg4 n GLY 479 Ca 0.23 -0.02 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1pg4 n GLY 479 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pg4 n ASP 480 N -0.75 -2.34 0.16 1.61 -0.08 -0.24 -4.97 116.55 109.95 1pg4 n ASP 480 Ca -0.01 -3.08 0.02 0.00 -1.51 0.00 0.00 54.79 50.21 1pg4 n ASP 480 Cb 0.39 1.26 0.37 0.00 2.34 0.00 0.00 41.12 45.48 1pg4 n ASP 480 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1pg4 h HIS 481 N 4.26 0.12 -0.73 -0.67 -0.00 -1.90 -2.67 115.15 113.56 1pg4 h HIS 481 Ca -0.05 -0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.28 1pg4 h HIS 481 Cb 1.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 28.36 1pg4 h HIS 481 CO 0.10 0.37 0.39 0.93 -0.00 0.00 0.00 177.93 179.73 1pg4 h GLU 482 N 0.10 1.02 -0.32 5.26 5.08 -1.93 -0.85 114.58 122.93 1pg4 h GLU 482 Ca 0.01 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 1pg4 h GLU 482 Cb 0.53 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1pg4 h GLU 482 CO 0.04 0.76 -0.25 -0.09 -1.00 0.00 0.00 179.01 178.47 1pg4 h ARG 483 N 1.00 0.64 -0.24 2.33 9.65 -1.90 -1.30 114.38 124.56 1pg4 h ARG 483 Ca 0.25 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1pg4 h ARG 483 Cb 0.05 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 1pg4 h ARG 483 CO -0.04 0.83 0.15 0.35 2.80 0.00 0.00 179.97 184.07 1pg4 h PHE 484 N 0.56 0.30 -0.68 2.20 3.57 -1.10 0.19 116.94 121.98 1pg4 h PHE 484 Ca 0.08 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1pg4 h PHE 484 Cb 0.73 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.34 1pg4 h PHE 484 CO 0.03 0.21 0.26 0.93 -2.23 0.00 0.00 178.31 177.51 1pg4 h GLU 485 N 0.32 1.02 -0.10 1.11 5.08 -0.94 -2.60 114.58 118.47 1pg4 h GLU 485 Ca 0.09 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1pg4 h GLU 485 Cb -0.02 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1pg4 h GLU 485 CO -0.02 0.85 -0.26 0.37 -1.00 0.00 0.00 179.01 178.96 1pg4 h GLN 486 N 0.96 0.35 -0.47 2.33 4.15 -0.98 -1.23 115.11 120.22 1pg4 h GLN 486 Ca 0.22 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1pg4 h GLN 486 Cb 0.22 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1pg4 h GLN 486 CO -0.02 0.86 0.25 1.15 -1.93 0.00 0.00 178.83 179.14 1pg4 h THR 487 N -0.10 1.17 0.00 2.39 2.02 -0.63 -3.17 112.91 114.59 1pg4 h THR 487 Ca -0.00 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1pg4 h THR 487 Cb 0.87 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1pg4 h THR 487 CO 0.06 0.18 -1.69 -1.22 0.37 0.00 0.00 175.52 173.22 1pg4 n TYR 488 N -4.67 0.00 -0.58 3.16 4.02 -0.98 -4.69 117.16 113.42 1pg4 n TYR 488 Ca 0.01 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.94 1pg4 n TYR 488 Cb 0.09 -0.35 0.04 0.00 -0.02 0.00 0.00 39.34 39.10 1pg4 n TYR 488 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1pg4 n PHE 489 N -2.03 0.00 -0.08 -0.72 3.01 -0.47 -0.75 117.46 116.42 1pg4 n PHE 489 Ca -0.03 -0.57 -0.07 0.00 1.01 0.00 0.00 57.45 57.79 1pg4 n PHE 489 Cb 0.42 -0.08 -0.14 0.00 -0.01 0.00 0.00 39.48 39.68 1pg4 n PHE 489 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pg4 n SER 490 N -0.72 0.69 -0.01 4.37 3.41 -1.16 -4.37 113.62 115.83 1pg4 n SER 490 Ca 0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.55 1pg4 n SER 490 Cb 0.43 1.00 -0.05 0.00 -0.26 0.00 0.00 64.21 65.33 1pg4 n SER 490 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1pg4 h THR 491 N 0.00 1.07 -3.43 6.66 2.02 -1.86 -3.38 112.91 113.98 1pg4 h THR 491 Ca -0.44 -0.17 -0.61 0.00 0.77 0.00 0.00 66.41 65.96 1pg4 h THR 491 Cb 1.99 0.98 -0.39 0.00 -1.74 0.00 0.00 68.15 68.98 1pg4 h THR 491 CO 0.02 0.06 -0.75 -0.36 0.37 0.00 0.00 175.52 174.86 1pg4 s PHE 492 N -5.99 2.40 0.20 3.16 2.99 -1.26 -4.90 117.98 114.59 1pg4 s PHE 492 Ca -0.13 -2.03 -0.32 0.00 0.00 0.00 0.00 56.93 54.45 1pg4 s PHE 492 Cb 0.07 -1.96 -0.15 0.00 0.00 0.00 0.00 43.02 40.98 1pg4 s PHE 492 CO 0.68 -0.85 1.20 1.63 -0.00 0.00 0.00 175.22 177.88 1pg4 n LYS 493 N 4.65 1.39 -1.37 0.44 5.02 -1.26 -1.82 118.16 125.21 1pg4 n LYS 493 Ca -0.03 0.49 -0.13 0.00 -2.02 0.00 0.00 58.31 56.62 1pg4 n LYS 493 Cb 0.43 -2.01 -0.05 0.00 -0.02 0.00 0.00 35.03 33.37 1pg4 n LYS 493 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pg4 n ASN 494 N 1.95 -4.63 -4.00 4.39 3.02 -1.24 -4.99 115.26 109.76 1pg4 n ASN 494 Ca 0.14 0.31 -0.11 0.00 -0.03 0.00 0.00 54.58 54.89 1pg4 n ASN 494 Cb 0.27 -3.24 -0.12 0.00 -0.61 0.00 0.00 39.78 36.08 1pg4 n ASN 494 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1pg4 s MET 495 N -3.03 0.37 -0.25 3.52 -1.94 -0.75 -4.81 119.30 112.41 1pg4 s MET 495 Ca 0.00 -0.60 -0.21 0.00 -1.71 0.00 0.00 55.69 53.17 1pg4 s MET 495 Cb 0.00 -0.07 -0.02 0.00 2.01 0.00 0.00 34.83 36.75 1pg4 s MET 495 CO 0.00 -0.00 0.66 -0.47 -0.01 0.00 0.00 175.02 175.19 1pg4 s TYR 496 N -1.26 3.29 -0.29 -0.03 5.04 -0.67 -4.32 117.35 119.10 1pg4 s TYR 496 Ca -0.12 0.86 -0.13 0.00 -2.44 0.00 0.00 57.07 55.25 1pg4 s TYR 496 Cb -0.09 -2.87 -0.04 0.00 0.35 0.00 0.00 41.96 39.32 1pg4 s TYR 496 CO -0.00 -0.33 0.26 0.12 -1.34 0.00 0.00 175.55 174.25 1pg4 s PHE 497 N 2.54 3.23 0.02 4.97 5.36 0.07 -1.14 117.98 133.03 1pg4 s PHE 497 Ca 0.27 0.13 0.24 0.00 -0.96 0.00 0.00 56.93 56.62 1pg4 s PHE 497 Cb -0.15 -2.47 0.81 0.00 -0.34 0.00 0.00 43.02 40.86 1pg4 s PHE 497 CO 0.08 -0.23 1.77 0.66 -1.46 0.00 0.00 175.22 176.04 1pg4 h SER 498 N 8.35 0.00 0.00 6.13 4.64 -1.79 -3.45 113.55 127.43 1pg4 h SER 498 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1pg4 h SER 498 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1pg4 h SER 498 CO 0.60 0.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1pg4 n GLY 499 N 0.39 0.78 3.86 -0.77 0.00 -1.26 -5.04 105.19 103.14 1pg4 n GLY 499 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1pg4 n GLY 499 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pg4 s ASP 500 N -2.99 5.73 0.14 1.61 1.01 -1.26 -0.18 116.67 120.74 1pg4 s ASP 500 Ca 0.00 -0.14 0.08 0.00 0.71 0.00 0.00 52.55 53.20 1pg4 s ASP 500 Cb 0.00 -1.53 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 1pg4 s ASP 500 CO 0.00 -0.02 -0.11 -0.83 0.21 0.00 0.00 175.17 174.42 1pg4 s GLY 501 N -3.71 1.75 0.21 0.21 0.00 0.13 -1.08 107.32 104.83 1pg4 s GLY 501 Ca 0.33 -1.36 -0.22 0.00 0.00 0.00 0.00 44.72 43.47 1pg4 s GLY 501 CO 0.26 -1.36 0.64 0.00 0.00 0.00 0.00 173.10 172.63 1pg4 s ALA 502 N -1.43 -1.38 0.13 3.20 0.00 -0.54 -1.56 121.76 120.18 1pg4 s ALA 502 Ca 0.22 0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.38 1pg4 s ALA 502 Cb -0.10 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1pg4 s ALA 502 CO 0.14 -0.87 -0.19 -0.98 0.00 0.00 0.00 175.76 173.85 1pg4 s ARG 503 N -3.83 1.18 -0.12 0.00 1.70 -0.45 -1.23 118.95 116.21 1pg4 s ARG 503 Ca 0.06 -1.27 0.03 0.00 -0.47 0.00 0.00 55.73 54.08 1pg4 s ARG 503 Cb -0.03 -1.33 0.01 0.00 -0.57 0.00 0.00 34.95 33.03 1pg4 s ARG 503 CO -0.04 0.29 -0.21 0.50 -1.08 0.00 0.00 175.30 174.75 1pg4 s ARG 504 N -2.33 2.86 0.56 3.89 3.52 0.10 -0.55 118.95 127.01 1pg4 s ARG 504 Ca 0.10 -0.80 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 1pg4 s ARG 504 Cb -0.08 -2.26 0.12 0.00 -1.56 0.00 0.00 34.95 31.17 1pg4 s ARG 504 CO 0.05 0.05 0.77 -0.40 -0.81 0.00 0.00 175.30 174.97 1pg4 n ASP 505 N 3.87 0.47 0.26 -2.12 5.68 -0.54 -1.68 116.55 122.48 1pg4 n ASP 505 Ca -0.20 -1.53 0.18 0.00 -0.50 0.00 0.00 54.79 52.75 1pg4 n ASP 505 Cb 0.52 -0.55 0.91 0.00 -1.14 0.00 0.00 41.12 40.86 1pg4 n ASP 505 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pg4 h GLU 506 N 0.00 0.00 -0.01 0.11 -0.00 -1.94 -0.99 114.58 111.75 1pg4 h GLU 506 Ca -0.25 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.11 1pg4 h GLU 506 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.54 1pg4 h GLU 506 CO 0.22 0.00 -0.28 -0.25 -0.00 0.00 0.00 179.01 178.70 1pg4 n ASP 507 N -3.47 1.64 0.00 3.06 8.00 -1.26 -4.93 116.55 119.59 1pg4 n ASP 507 Ca -0.00 -1.30 0.00 0.00 0.71 0.00 0.00 54.79 54.20 1pg4 n ASP 507 Cb 0.29 0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1pg4 n ASP 507 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pg4 n GLY 508 N 1.35 0.76 3.75 0.44 0.00 -0.37 -5.05 105.19 106.06 1pg4 n GLY 508 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1pg4 n GLY 508 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pg4 s TYR 509 N -2.32 3.86 -0.02 1.61 1.51 -1.26 -4.78 117.35 115.96 1pg4 s TYR 509 Ca 0.00 1.85 -0.09 0.00 -1.01 0.00 0.00 57.07 57.82 1pg4 s TYR 509 Cb 0.00 -3.07 -0.05 0.00 -0.11 0.00 0.00 41.96 38.73 1pg4 s TYR 509 CO 0.00 0.16 0.29 0.71 -1.11 0.00 0.00 175.55 175.60 1pg4 s TYR 510 N -1.11 3.63 -0.26 2.71 1.51 0.23 -1.46 117.35 122.60 1pg4 s TYR 510 Ca 0.42 0.71 0.01 0.00 -1.01 0.00 0.00 57.07 57.20 1pg4 s TYR 510 Cb -0.28 -2.08 0.07 0.00 -0.11 0.00 0.00 41.96 39.57 1pg4 s TYR 510 CO 0.34 0.64 0.00 -1.58 -1.11 0.00 0.00 175.55 173.85 1pg4 s TRP 511 N -1.19 2.33 -0.25 2.71 0.52 0.28 -2.28 118.94 121.06 1pg4 s TRP 511 Ca 0.24 -1.86 -0.29 0.00 0.02 0.00 0.00 56.10 54.21 1pg4 s TRP 511 Cb -0.14 -1.76 0.01 0.00 -1.15 0.00 0.00 33.47 30.43 1pg4 s TRP 511 CO 0.13 -0.81 1.07 0.42 0.02 0.00 0.00 176.95 177.78 1pg4 s ILE 512 N 1.41 4.59 -0.66 2.03 1.09 -1.26 -1.34 121.20 127.06 1pg4 s ILE 512 Ca 0.01 1.89 0.24 0.00 -1.10 0.00 0.00 60.65 61.68 1pg4 s ILE 512 Cb -0.18 -4.31 -0.04 0.00 -1.06 0.00 0.00 42.46 36.87 1pg4 s ILE 512 CO -0.11 -0.27 1.18 0.35 -0.10 0.00 0.00 174.94 176.00 1pg4 n THR 513 N 5.50 0.23 0.00 2.92 -2.24 -0.60 -4.75 114.28 115.34 1pg4 n THR 513 Ca 0.12 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1pg4 n THR 513 Cb 0.46 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1pg4 n THR 513 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pg4 n GLY 514 N 1.37 1.72 3.77 3.38 0.00 -1.22 -4.96 105.19 109.25 1pg4 n GLY 514 Ca 0.03 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 1pg4 n GLY 514 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pg4 s ARG 515 N -1.45 4.10 0.00 1.61 1.81 -1.26 -0.70 118.95 123.07 1pg4 s ARG 515 Ca 0.00 2.45 0.14 0.00 -1.72 0.00 0.00 55.73 56.59 1pg4 s ARG 515 Cb 0.00 -2.94 0.07 0.00 -0.45 0.00 0.00 34.95 31.63 1pg4 s ARG 515 CO 0.00 -0.49 0.87 1.33 -0.68 0.00 0.00 175.30 176.33 1pg4 n VAL 516 N 0.43 0.00 -3.20 3.52 0.24 0.75 -4.78 118.33 115.30 1pg4 n VAL 516 Ca 0.01 -0.45 -0.02 0.00 -2.04 0.00 0.00 64.34 61.85 1pg4 n VAL 516 Cb 0.40 1.24 0.00 0.00 -1.47 0.00 0.00 33.84 34.02 1pg4 n VAL 516 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1pg4 n ASP 517 N 0.41 0.54 -2.43 -1.34 3.85 -1.23 -4.99 116.55 111.36 1pg4 n ASP 517 Ca 0.07 -1.15 -0.24 0.00 -0.71 0.00 0.00 54.79 52.75 1pg4 n ASP 517 Cb 0.32 -0.03 -0.08 0.00 -1.35 0.00 0.00 41.12 39.99 1pg4 n ASP 517 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1pg4 n ASP 518 N -2.59 6.29 -4.46 -1.12 8.00 -1.26 -4.87 116.55 116.54 1pg4 n ASP 518 Ca 0.01 -3.05 -0.33 0.00 0.71 0.00 0.00 54.79 52.13 1pg4 n ASP 518 Cb 0.06 -1.28 -0.13 0.00 -0.02 0.00 0.00 41.12 39.75 1pg4 n ASP 518 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pg4 s VAL 519 N -1.52 3.19 0.31 2.53 1.01 -1.26 -1.69 120.40 122.97 1pg4 s VAL 519 Ca 0.61 -0.65 0.07 0.00 0.00 0.00 0.00 61.98 62.00 1pg4 s VAL 519 Cb 0.36 -2.30 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1pg4 s VAL 519 CO -0.17 0.57 0.39 -0.76 0.00 0.00 0.00 175.10 175.12 1pg4 s LEU 520 N -0.34 3.94 -0.39 3.92 1.43 0.23 -4.74 118.68 122.72 1pg4 s LEU 520 Ca 0.04 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1pg4 s LEU 520 Cb -0.13 -2.61 0.11 0.00 0.03 0.00 0.00 46.19 43.59 1pg4 s LEU 520 CO 0.02 -0.32 0.14 0.21 0.23 0.00 0.00 176.35 176.64 1pg4 s ASN 521 N -4.07 4.28 -0.35 2.29 2.47 -1.26 -2.27 114.94 116.04 1pg4 s ASN 521 Ca 0.41 -2.31 -0.08 0.00 0.42 0.00 0.00 52.86 51.30 1pg4 s ASN 521 Cb -0.08 -1.34 0.04 0.00 -1.45 0.00 0.00 41.25 38.41 1pg4 s ASN 521 CO 0.29 -0.33 0.13 -0.69 -3.72 0.00 0.00 177.10 172.78 1pg4 s VAL 522 N 0.71 3.99 -1.45 -5.21 1.01 0.02 -2.29 120.40 117.18 1pg4 s VAL 522 Ca 0.13 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1pg4 s VAL 522 Cb -0.21 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 32.97 1pg4 s VAL 522 CO -0.09 -0.19 0.73 -1.20 0.00 0.00 0.00 175.10 174.36 1pg4 n SER 523 N 4.86 -5.04 0.00 3.32 7.64 0.46 -0.82 113.62 124.04 1pg4 n SER 523 Ca -0.12 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1pg4 n SER 523 Cb 0.45 -4.07 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 1pg4 n SER 523 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pg4 n GLY 524 N -1.51 0.40 3.30 0.23 0.00 -1.26 -4.86 105.19 101.49 1pg4 n GLY 524 Ca -0.03 -0.95 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1pg4 n GLY 524 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pg4 s HIS 525 N -2.00 2.44 -0.26 1.61 3.76 0.00 -4.90 115.29 115.93 1pg4 s HIS 525 Ca 0.00 -0.61 -0.24 0.00 -0.15 0.00 0.00 55.06 54.06 1pg4 s HIS 525 Cb 0.00 -1.58 -0.00 0.00 1.11 0.00 0.00 32.58 32.10 1pg4 s HIS 525 CO 0.00 -0.14 0.81 0.50 -0.85 0.00 0.00 174.74 175.06 1pg4 s ARG 526 N -0.30 4.11 -0.00 1.40 3.52 -1.26 -0.80 118.95 125.62 1pg4 s ARG 526 Ca 0.01 0.82 0.01 0.00 -0.13 0.00 0.00 55.73 56.44 1pg4 s ARG 526 Cb -0.13 -3.67 -0.00 0.00 -1.56 0.00 0.00 34.95 29.59 1pg4 s ARG 526 CO 0.02 -0.57 -0.04 -0.51 -0.81 0.00 0.00 175.30 173.40 1pg4 s LEU 527 N 2.88 2.01 0.07 -0.88 1.43 -0.96 -4.55 118.68 118.69 1pg4 s LEU 527 Ca 0.34 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 1pg4 s LEU 527 Cb -0.15 -0.18 -0.07 0.00 0.03 0.00 0.00 46.19 45.83 1pg4 s LEU 527 CO 0.09 0.04 0.58 -0.83 0.23 0.00 0.00 176.35 176.46 1pg4 s GLY 528 N -0.10 2.68 0.20 -3.19 0.00 -1.26 0.74 107.32 106.39 1pg4 s GLY 528 Ca 0.01 0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.72 1pg4 s GLY 528 CO -0.00 0.48 1.59 -0.91 0.00 0.00 0.00 173.10 174.26 1pg4 h THR 529 N 3.54 1.27 -0.61 0.90 1.35 -1.57 -3.05 112.91 114.74 1pg4 h THR 529 Ca -0.49 -1.41 0.03 0.00 -0.55 0.00 0.00 66.41 63.99 1pg4 h THR 529 Cb 1.21 1.27 -0.04 0.00 -1.73 0.00 0.00 68.15 68.86 1pg4 h THR 529 CO 0.64 0.47 0.37 0.00 -0.25 0.00 0.00 175.52 176.74 1pg4 h ALA 530 N 1.00 0.79 0.00 6.62 0.00 -1.78 -0.89 119.26 125.00 1pg4 h ALA 530 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1pg4 h ALA 530 Cb 0.80 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1pg4 h ALA 530 CO 0.07 0.09 -0.31 1.05 0.00 0.00 0.00 179.25 180.15 1pg4 h GLU 531 N 0.71 0.00 -0.05 0.00 4.11 -1.68 -0.16 114.58 117.52 1pg4 h GLU 531 Ca 0.25 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.45 1pg4 h GLU 531 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1pg4 h GLU 531 CO -0.12 0.31 -0.89 0.82 0.07 0.00 0.00 179.01 179.20 1pg4 h ILE 532 N 0.00 1.33 -0.51 -1.06 2.04 -1.30 -2.16 117.51 115.86 1pg4 h ILE 532 Ca -0.00 -2.22 -0.04 0.00 1.00 0.00 0.00 64.86 63.59 1pg4 h ILE 532 Cb 0.57 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.87 1pg4 h ILE 532 CO 0.04 0.68 0.15 -0.33 0.00 0.00 0.00 178.15 178.69 1pg4 h GLU 533 N 0.36 0.79 -0.79 2.37 5.08 -0.66 -1.11 114.58 120.62 1pg4 h GLU 533 Ca -0.08 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.08 1pg4 h GLU 533 Cb 1.52 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 1pg4 h GLU 533 CO 0.17 0.75 0.39 0.77 -1.00 0.00 0.00 179.01 180.08 1pg4 h SER 534 N 0.69 1.03 -0.36 1.42 0.02 -1.02 -0.63 113.55 114.69 1pg4 h SER 534 Ca 0.16 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1pg4 h SER 534 Cb 0.30 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1pg4 h SER 534 CO -0.00 0.87 0.17 0.00 -1.14 0.00 0.00 176.83 176.72 1pg4 h ALA 535 N 1.29 0.47 0.00 3.77 0.00 -1.00 -2.05 119.26 121.74 1pg4 h ALA 535 Ca 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1pg4 h ALA 535 Cb 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pg4 h ALA 535 CO -0.04 0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 179.18 1pg4 h LEU 536 N 0.45 -0.00 -2.36 0.00 3.38 -0.75 -2.79 115.31 113.24 1pg4 h LEU 536 Ca 0.12 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pg4 h LEU 536 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pg4 h LEU 536 CO -0.02 0.10 -0.02 0.58 0.09 0.00 0.00 178.44 179.18 1pg4 h VAL 537 N -0.10 0.10 0.00 1.22 2.07 -1.06 -1.52 116.25 116.96 1pg4 h VAL 537 Ca -0.00 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1pg4 h VAL 537 Cb 0.10 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1pg4 h VAL 537 CO 0.00 0.02 -0.14 0.00 0.02 0.00 0.00 177.57 177.47 1pg4 h ALA 538 N 1.98 1.16 -2.70 1.67 0.00 -1.08 -3.43 119.26 116.87 1pg4 h ALA 538 Ca -0.00 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.26 1pg4 h ALA 538 Cb 0.20 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.02 1pg4 h ALA 538 CO 0.00 0.17 0.80 -1.58 0.00 0.00 0.00 179.25 178.64 1pg4 s HIS 539 N -3.98 3.03 0.58 0.00 5.04 -0.57 -4.89 115.29 114.50 1pg4 s HIS 539 Ca -0.02 0.89 0.29 0.00 -1.54 0.00 0.00 55.06 54.68 1pg4 s HIS 539 Cb 0.12 -3.86 1.46 0.00 0.04 0.00 0.00 32.58 30.33 1pg4 s HIS 539 CO 0.59 -2.94 1.87 -1.35 -2.34 0.00 0.00 174.74 170.57 1pg4 h PRO 540 N 5.65 0.00 -0.01 2.88 0.11 -1.88 -1.76 132.00 136.98 1pg4 h PRO 540 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pg4 h PRO 540 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1pg4 h PRO 540 CO 0.82 0.00 -0.73 1.63 -0.21 0.00 0.00 178.00 179.51 1pg4 n LYS 541 N -3.76 0.55 -3.68 1.05 5.02 -1.26 -4.92 118.16 111.16 1pg4 n LYS 541 Ca 0.10 -0.45 -0.36 0.00 -2.02 0.00 0.00 58.31 55.58 1pg4 n LYS 541 Cb 0.74 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 34.18 1pg4 n LYS 541 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1pg4 s ILE 542 N -2.76 5.38 -0.19 -0.18 1.01 -0.66 -0.80 121.20 122.99 1pg4 s ILE 542 Ca 0.13 0.31 0.02 0.00 0.00 0.00 0.00 60.65 61.10 1pg4 s ILE 542 Cb 0.17 -3.52 -0.21 0.00 0.01 0.00 0.00 42.46 38.91 1pg4 s ILE 542 CO 0.72 0.44 0.05 0.00 0.00 0.00 0.00 174.94 176.15 1pg4 n ALA 543 N 3.41 1.27 -3.37 9.38 0.00 0.39 -4.74 120.51 126.85 1pg4 n ALA 543 Ca -0.15 -0.94 -0.15 0.00 0.00 0.00 0.00 53.44 52.20 1pg4 n ALA 543 Cb 0.52 -0.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 1pg4 n ALA 543 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pg4 s GLU 544 N -2.53 1.02 -0.05 0.00 2.12 -1.08 -4.95 118.70 113.22 1pg4 s GLU 544 Ca -0.26 -0.09 -0.14 0.00 0.36 0.00 0.00 54.97 54.83 1pg4 s GLU 544 Cb 0.08 0.47 0.03 0.00 0.26 0.00 0.00 34.13 34.97 1pg4 s GLU 544 CO 0.69 -0.35 0.32 0.00 -0.54 0.00 0.00 175.26 175.38 1pg4 s ALA 545 N -2.03 -0.81 -0.09 6.30 0.00 -1.26 -0.56 121.76 123.31 1pg4 s ALA 545 Ca -0.07 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 1pg4 s ALA 545 Cb -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1pg4 s ALA 545 CO 0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 175.76 175.50 1pg4 s ALA 546 N -0.81 1.07 -0.10 0.00 0.00 -0.26 -4.87 121.76 116.79 1pg4 s ALA 546 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1pg4 s ALA 546 Cb -0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.27 1pg4 s ALA 546 CO 0.03 -0.35 -0.10 0.08 0.00 0.00 0.00 175.76 175.43 1pg4 s VAL 547 N 1.63 3.40 0.09 0.00 1.01 -1.26 -0.34 120.40 124.93 1pg4 s VAL 547 Ca 0.02 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.44 1pg4 s VAL 547 Cb -0.13 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1pg4 s VAL 547 CO -0.06 0.55 -0.04 0.68 0.00 0.00 0.00 175.10 176.23 1pg4 s VAL 548 N -0.16 0.52 0.05 2.92 -7.23 -0.28 -4.88 120.40 111.34 1pg4 s VAL 548 Ca 0.01 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1pg4 s VAL 548 Cb -0.13 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.08 1pg4 s VAL 548 CO 0.03 -0.86 0.11 -0.83 -0.31 0.00 0.00 175.10 173.24 1pg4 s GLY 549 N -3.02 2.06 0.09 2.32 0.00 -1.26 -0.83 107.32 106.68 1pg4 s GLY 549 Ca 0.12 -0.94 0.07 0.00 0.00 0.00 0.00 44.72 43.97 1pg4 s GLY 549 CO -0.05 -0.89 -0.18 -0.26 0.00 0.00 0.00 173.10 171.72 1pg4 s ILE 550 N -1.37 1.43 0.37 0.90 -4.36 -0.43 -4.91 121.20 112.83 1pg4 s ILE 550 Ca 0.29 -1.42 -0.27 0.00 -0.26 0.00 0.00 60.65 58.99 1pg4 s ILE 550 Cb -0.12 -1.32 -0.12 0.00 1.25 0.00 0.00 42.46 42.15 1pg4 s ILE 550 CO 0.21 -0.13 1.25 -2.65 0.24 0.00 0.00 174.94 173.87 1pg4 n PRO 551 N 1.21 1.99 -3.71 0.37 -0.02 -1.26 -0.13 135.00 133.44 1pg4 n PRO 551 Ca -0.20 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 61.80 1pg4 n PRO 551 Cb 0.54 -2.30 -0.17 0.00 -0.02 0.00 0.00 33.50 31.55 1pg4 n PRO 551 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1pg4 s HIS 552 N -1.13 0.03 0.55 6.00 2.46 -0.32 -4.63 115.29 118.24 1pg4 s HIS 552 Ca 0.57 0.24 0.26 0.00 0.47 0.00 0.00 55.06 56.60 1pg4 s HIS 552 Cb -0.56 -0.36 1.47 0.00 -0.13 0.00 0.00 32.58 33.00 1pg4 s HIS 552 CO 0.61 -0.15 2.03 0.00 -2.47 0.00 0.00 174.74 174.76 1pg4 h ALA 553 N 7.94 2.20 0.00 1.58 0.00 -1.95 -1.58 119.26 127.45 1pg4 h ALA 553 Ca -0.27 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.35 1pg4 h ALA 553 Cb 1.12 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.90 1pg4 h ALA 553 CO 0.29 -0.48 -1.90 -0.89 0.00 0.00 0.00 179.25 176.26 1pg4 n ILE 554 N -4.15 1.48 0.30 0.00 2.08 -1.26 -4.69 119.36 113.12 1pg4 n ILE 554 Ca 0.06 -0.17 0.07 0.00 0.56 0.00 0.00 62.75 63.27 1pg4 n ILE 554 Cb 0.47 -2.04 0.23 0.00 -0.75 0.00 0.00 39.64 37.55 1pg4 n ILE 554 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1pg4 n LYS 555 N -4.29 2.45 0.00 0.38 2.85 -1.24 -4.53 118.16 113.78 1pg4 n LYS 555 Ca -0.38 -1.82 0.00 0.00 -1.05 0.00 0.00 58.31 55.07 1pg4 n LYS 555 Cb 0.73 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 1pg4 n LYS 555 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1pg4 n GLY 556 N 1.08 2.11 3.05 2.58 0.00 -0.60 -0.40 105.19 113.01 1pg4 n GLY 556 Ca 0.17 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1pg4 n GLY 556 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pg4 s GLN 557 N 0.00 0.65 0.21 1.61 -0.21 -0.97 -1.17 119.66 119.77 1pg4 s GLN 557 Ca 0.00 -0.54 0.07 0.00 0.02 0.00 0.00 55.36 54.92 1pg4 s GLN 557 Cb 0.00 -0.58 -0.04 0.00 1.00 0.00 0.00 33.01 33.39 1pg4 s GLN 557 CO 0.00 0.14 0.06 0.00 -2.12 0.00 0.00 175.29 173.37 1pg4 s ALA 558 N -0.71 3.32 -0.25 6.09 0.00 0.81 -4.31 121.76 126.70 1pg4 s ALA 558 Ca -0.01 -1.42 -0.17 0.00 0.00 0.00 0.00 51.96 50.36 1pg4 s ALA 558 Cb -0.06 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 1pg4 s ALA 558 CO 0.00 0.39 0.47 0.42 0.00 0.00 0.00 175.76 177.04 1pg4 s ILE 559 N -1.94 5.11 -0.22 0.00 1.01 -1.26 -1.31 121.20 122.58 1pg4 s ILE 559 Ca 0.30 0.78 -0.01 0.00 0.00 0.00 0.00 60.65 61.72 1pg4 s ILE 559 Cb -0.08 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.62 1pg4 s ILE 559 CO 0.21 0.12 -0.10 -0.47 0.00 0.00 0.00 174.94 174.70 1pg4 s TYR 560 N 2.12 2.98 -0.19 3.97 6.14 -0.01 -0.49 117.35 131.87 1pg4 s TYR 560 Ca 0.19 -1.54 -0.02 0.00 0.64 0.00 0.00 57.07 56.35 1pg4 s TYR 560 Cb -0.16 -2.01 -0.00 0.00 0.42 0.00 0.00 41.96 40.21 1pg4 s TYR 560 CO 0.09 -0.73 -0.10 0.00 0.64 0.00 0.00 175.55 175.44 1pg4 s ALA 561 N 1.32 2.65 -0.17 3.97 0.00 -0.19 -1.13 121.76 128.20 1pg4 s ALA 561 Ca 0.02 -1.10 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 1pg4 s ALA 561 Cb -0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 1pg4 s ALA 561 CO -0.07 -0.22 0.58 0.71 0.00 0.00 0.00 175.76 176.77 1pg4 s TYR 562 N 1.11 3.42 -0.07 0.00 1.51 0.54 -0.24 117.35 123.62 1pg4 s TYR 562 Ca 0.01 0.91 0.03 0.00 -1.01 0.00 0.00 57.07 57.01 1pg4 s TYR 562 Cb -0.14 -2.73 0.01 0.00 -0.11 0.00 0.00 41.96 38.99 1pg4 s TYR 562 CO -0.03 -0.07 -0.14 0.08 -1.11 0.00 0.00 175.55 174.28 1pg4 s VAL 563 N 1.51 1.29 -0.25 0.71 1.01 0.54 -1.10 120.40 124.11 1pg4 s VAL 563 Ca 0.28 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1pg4 s VAL 563 Cb -0.16 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1pg4 s VAL 563 CO 0.11 0.39 0.05 -0.89 0.00 0.00 0.00 175.10 174.76 1pg4 s THR 564 N 0.58 4.17 0.39 3.92 2.01 0.28 -0.91 115.64 126.08 1pg4 s THR 564 Ca -0.15 -0.23 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1pg4 s THR 564 Cb -0.16 -2.95 -0.06 0.00 0.01 0.00 0.00 72.50 69.35 1pg4 s THR 564 CO 0.04 0.34 0.72 -0.76 -0.69 0.00 0.00 174.62 174.28 1pg4 s LEU 565 N 1.59 3.85 0.79 4.42 1.43 -1.26 -0.46 118.68 129.05 1pg4 s LEU 565 Ca 0.06 1.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1pg4 s LEU 565 Cb -0.15 -3.88 0.07 0.00 0.03 0.00 0.00 46.19 42.26 1pg4 s LEU 565 CO 0.03 -0.38 1.09 0.20 0.23 0.00 0.00 176.35 177.52 1pg4 s ASN 566 N -3.30 4.34 0.49 2.29 0.01 0.02 -4.64 114.94 114.14 1pg4 s ASN 566 Ca 0.49 1.72 -0.23 0.00 -0.71 0.00 0.00 52.86 54.13 1pg4 s ASN 566 Cb -0.10 -2.43 -0.07 0.00 0.41 0.00 0.00 41.25 39.06 1pg4 s ASN 566 CO 0.33 -2.12 1.34 -1.00 -1.51 0.00 0.00 177.10 174.14 1pg4 s HIS 567 N -2.93 2.49 0.00 2.20 3.76 -1.26 -2.39 115.29 117.16 1pg4 s HIS 567 Ca 0.61 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.90 1pg4 s HIS 567 Cb -0.17 -3.75 0.00 0.00 1.11 0.00 0.00 32.58 29.77 1pg4 s HIS 567 CO 0.56 -2.59 0.00 0.41 -0.85 0.00 0.00 174.74 172.27 1pg4 n GLY 568 N 0.64 2.37 3.90 -2.22 0.00 -1.26 -5.04 105.19 103.58 1pg4 n GLY 568 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1pg4 n GLY 568 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pg4 s GLU 569 N -0.80 3.41 0.02 1.61 0.41 -1.01 -5.11 118.70 117.23 1pg4 s GLU 569 Ca 0.00 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 54.20 1pg4 s GLU 569 Cb 0.00 -3.06 -0.02 0.00 -1.78 0.00 0.00 34.13 29.27 1pg4 s GLU 569 CO 0.00 0.66 -0.03 -1.21 -0.49 0.00 0.00 175.26 174.18 1pg4 s GLU 570 N -2.08 0.29 0.56 1.61 2.02 -1.26 -4.87 118.70 114.98 1pg4 s GLU 570 Ca 0.29 -0.51 -0.20 0.00 0.02 0.00 0.00 54.97 54.57 1pg4 s GLU 570 Cb -0.13 0.02 -0.04 0.00 0.10 0.00 0.00 34.13 34.08 1pg4 s GLU 570 CO 0.21 -0.02 1.24 -2.14 0.02 0.00 0.00 175.26 174.56 1pg4 s PRO 571 N -1.18 3.11 0.04 0.39 0.02 -1.26 -4.91 135.00 131.21 1pg4 s PRO 571 Ca -0.12 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 62.54 1pg4 s PRO 571 Cb -0.08 -2.07 0.09 0.00 0.02 0.00 0.00 34.50 32.46 1pg4 s PRO 571 CO -0.01 -1.12 0.90 -1.54 -0.33 0.00 0.00 177.00 174.90 1pg4 s SER 572 N -1.41 -0.33 0.31 2.53 1.04 -1.26 -4.99 113.70 109.59 1pg4 s SER 572 Ca 0.74 -0.09 0.03 0.00 0.48 0.00 0.00 55.95 57.11 1pg4 s SER 572 Cb -0.33 0.41 0.61 0.00 0.10 0.00 0.00 66.02 66.82 1pg4 s SER 572 CO 0.37 -0.70 1.88 -0.65 0.98 0.00 0.00 173.24 175.12 1pg4 h PRO 573 N 2.00 0.91 -0.24 4.02 0.11 -1.99 -0.53 132.00 136.28 1pg4 h PRO 573 Ca -0.23 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1pg4 h PRO 573 Cb 1.24 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1pg4 h PRO 573 CO 0.30 0.60 0.11 1.49 -0.21 0.00 0.00 178.00 180.29 1pg4 h GLU 574 N 0.94 0.34 -0.24 1.05 4.22 -1.99 -2.00 114.58 116.91 1pg4 h GLU 574 Ca 0.43 -0.05 -0.10 0.00 0.08 0.00 0.00 59.36 59.72 1pg4 h GLU 574 Cb 0.41 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1pg4 h GLU 574 CO -0.19 0.36 -0.27 1.25 -2.18 0.00 0.00 179.01 177.98 1pg4 h LEU 575 N 0.24 0.46 -0.23 1.64 5.85 -1.77 0.81 115.31 122.31 1pg4 h LEU 575 Ca 0.08 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1pg4 h LEU 575 Cb 0.14 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1pg4 h LEU 575 CO -0.01 0.73 0.14 0.22 -0.34 0.00 0.00 178.44 179.18 1pg4 h TYR 576 N 0.40 0.30 -0.43 1.25 3.20 -0.94 0.32 116.97 121.08 1pg4 h TYR 576 Ca 0.06 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.84 1pg4 h TYR 576 Cb 0.69 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 1pg4 h TYR 576 CO 0.02 0.22 -0.08 0.00 -1.64 0.00 0.00 178.16 176.69 1pg4 h ALA 577 N 1.05 0.59 -0.63 1.82 0.00 -1.07 -2.27 119.26 118.76 1pg4 h ALA 577 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1pg4 h ALA 577 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1pg4 h ALA 577 CO -0.02 0.46 0.33 1.49 0.00 0.00 0.00 179.25 181.51 1pg4 h GLU 578 N 0.65 0.89 -0.46 0.00 4.81 -0.59 -0.60 114.58 119.27 1pg4 h GLU 578 Ca 0.11 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 1pg4 h GLU 578 Cb 0.61 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1pg4 h GLU 578 CO 0.04 0.69 -0.11 0.28 -0.73 0.00 0.00 179.01 179.18 1pg4 h VAL 579 N 0.86 1.27 -0.50 0.32 2.07 -0.88 0.16 116.25 119.56 1pg4 h VAL 579 Ca 0.22 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.45 1pg4 h VAL 579 Cb 0.07 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1pg4 h VAL 579 CO -0.03 0.43 0.10 0.03 0.02 0.00 0.00 177.57 178.12 1pg4 h ARG 580 N 0.74 0.81 0.00 1.57 3.08 -1.23 -2.48 114.38 116.87 1pg4 h ARG 580 Ca 0.12 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1pg4 h ARG 580 Cb 0.66 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1pg4 h ARG 580 CO 0.05 0.79 -0.27 -0.91 -1.07 0.00 0.00 179.97 178.56 1pg4 h ASN 581 N 0.70 0.00 -0.47 7.04 2.35 -0.94 -2.57 115.58 121.69 1pg4 h ASN 581 Ca 0.15 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.85 1pg4 h ASN 581 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 1pg4 h ASN 581 CO 0.01 0.27 0.09 -0.25 -1.65 0.00 0.00 177.43 175.90 1pg4 h TRP 582 N 0.00 0.81 -0.38 1.19 2.91 -0.24 -0.01 115.95 120.22 1pg4 h TRP 582 Ca -0.00 -0.10 -0.11 0.00 1.13 0.00 0.00 58.89 59.81 1pg4 h TRP 582 Cb 0.71 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.12 1pg4 h TRP 582 CO 0.00 0.74 -0.20 0.28 -1.03 0.00 0.00 178.44 178.23 1pg4 h VAL 583 N 0.64 1.27 -0.51 2.65 2.07 -1.23 0.73 116.25 121.86 1pg4 h VAL 583 Ca 0.14 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1pg4 h VAL 583 Cb 0.36 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1pg4 h VAL 583 CO 0.01 0.43 0.22 -0.09 0.02 0.00 0.00 177.57 178.16 1pg4 h ARG 584 N 0.65 0.73 0.05 1.57 2.43 -1.09 -0.28 114.38 118.43 1pg4 h ARG 584 Ca 0.10 -0.10 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1pg4 h ARG 584 Cb 0.69 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1pg4 h ARG 584 CO 0.05 0.58 -1.07 -0.22 -1.51 0.00 0.00 179.97 177.81 1pg4 h LYS 585 N 0.73 0.47 -0.10 0.20 3.11 -0.48 -1.92 116.57 118.57 1pg4 h LYS 585 Ca 0.18 -0.57 -0.22 0.00 -2.81 0.00 0.00 60.65 57.24 1pg4 h LYS 585 Cb 0.11 0.18 0.01 0.00 -1.00 0.00 0.00 32.23 31.53 1pg4 h LYS 585 CO -0.02 1.21 -0.80 0.93 -2.81 0.00 0.00 179.45 177.96 1pg4 h GLU 586 N 0.24 0.63 0.00 1.90 4.39 -0.51 -3.37 114.58 117.85 1pg4 h GLU 586 Ca -0.12 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1pg4 h GLU 586 Cb 1.73 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1pg4 h GLU 586 CO 0.19 1.16 -0.82 -0.89 -1.16 0.00 0.00 179.01 177.49 1pg4 n ILE 587 N -3.88 0.14 0.00 3.13 5.41 -0.15 -3.71 119.36 120.30 1pg4 n ILE 587 Ca -0.07 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1pg4 n ILE 587 Cb 0.75 -1.44 0.00 0.00 -0.71 0.00 0.00 39.64 38.24 1pg4 n ILE 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pg4 n GLY 588 N 2.95 3.30 0.32 7.39 0.00 -0.72 -1.52 105.19 116.91 1pg4 n GLY 588 Ca 0.00 -1.40 0.15 0.00 0.00 0.00 0.00 46.02 44.78 1pg4 n GLY 588 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pg4 h PRO 589 N 0.00 0.00 0.00 1.61 0.13 -1.71 -2.34 132.00 129.68 1pg4 h PRO 589 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1pg4 h PRO 589 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1pg4 h PRO 589 CO 0.00 0.00 -0.03 -0.07 -0.23 0.00 0.00 178.00 177.67 1pg4 h LEU 590 N 0.00 0.00 -2.37 1.56 3.38 -1.93 -2.55 115.31 113.39 1pg4 h LEU 590 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1pg4 h LEU 590 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1pg4 h LEU 590 CO -0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1pg4 n ALA 591 N -2.14 2.39 -1.82 1.53 0.00 -0.88 -4.97 120.51 114.62 1pg4 n ALA 591 Ca -0.01 -1.02 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 1pg4 n ALA 591 Cb 0.20 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 1pg4 n ALA 591 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pg4 s THR 592 N -1.34 2.70 0.32 0.00 2.01 -0.96 -4.89 115.64 113.48 1pg4 s THR 592 Ca 0.37 0.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 1pg4 s THR 592 Cb 0.21 -3.17 -0.11 0.00 0.01 0.00 0.00 72.50 69.45 1pg4 s THR 592 CO 0.29 0.00 1.47 -2.84 -0.69 0.00 0.00 174.62 172.86 1pg4 s PRO 593 N 2.42 4.19 0.19 4.92 0.02 -1.26 -4.75 135.00 140.73 1pg4 s PRO 593 Ca 0.77 2.45 0.17 0.00 0.02 0.00 0.00 61.00 64.41 1pg4 s PRO 593 Cb -0.44 -3.03 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 1pg4 s PRO 593 CO 0.34 -0.47 1.15 -0.44 -0.33 0.00 0.00 177.00 177.25 1pg4 h ASP 594 N 3.95 0.00 -3.64 2.53 3.32 -1.14 -3.46 116.42 117.97 1pg4 h ASP 594 Ca -0.49 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.27 1pg4 h ASP 594 Cb 1.23 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.47 1pg4 h ASP 594 CO 0.71 0.44 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.25 1pg4 s VAL 595 N -3.01 0.10 -0.22 -1.35 1.01 -0.92 -5.03 120.40 110.98 1pg4 s VAL 595 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.03 1pg4 s VAL 595 Cb 0.08 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 36.34 1pg4 s VAL 595 CO 0.77 0.08 -0.13 -0.76 0.00 0.00 0.00 175.10 175.06 1pg4 s LEU 596 N 0.51 2.75 -0.38 3.92 1.43 -1.26 -1.03 118.68 124.62 1pg4 s LEU 596 Ca -0.05 -0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 52.16 1pg4 s LEU 596 Cb -0.07 -1.57 0.07 0.00 0.03 0.00 0.00 46.19 44.65 1pg4 s LEU 596 CO -0.01 -0.07 0.18 -2.28 0.23 0.00 0.00 176.35 174.39 1pg4 s HIS 597 N 1.28 3.36 0.07 0.29 5.65 0.67 -4.99 115.29 121.62 1pg4 s HIS 597 Ca 0.01 -1.73 -0.30 0.00 0.25 0.00 0.00 55.06 53.29 1pg4 s HIS 597 Cb -0.15 -2.74 -0.05 0.00 -1.18 0.00 0.00 32.58 28.45 1pg4 s HIS 597 CO -0.08 -0.84 1.13 -1.58 -0.65 0.00 0.00 174.74 172.72 1pg4 s TRP 598 N 1.34 3.52 0.17 3.88 0.52 -1.26 -0.34 118.94 126.77 1pg4 s TRP 598 Ca 0.02 1.44 -0.22 0.00 0.02 0.00 0.00 56.10 57.36 1pg4 s TRP 598 Cb -0.22 -3.33 0.06 0.00 -1.15 0.00 0.00 33.47 28.84 1pg4 s TRP 598 CO 0.01 -0.88 0.60 -0.08 0.02 0.00 0.00 176.95 176.62 1pg4 s THR 599 N 0.79 0.00 -0.01 2.01 -1.32 -0.09 -4.89 115.64 112.14 1pg4 s THR 599 Ca 0.55 -0.12 0.01 0.00 -1.21 0.00 0.00 61.69 60.92 1pg4 s THR 599 Cb -0.28 -1.10 0.02 0.00 -1.51 0.00 0.00 72.50 69.63 1pg4 s THR 599 CO 0.30 -0.02 0.90 0.47 -2.21 0.00 0.00 174.62 174.07 1pg4 n ASP 600 N -0.38 1.57 -2.63 8.08 8.00 -1.26 -3.64 116.55 126.29 1pg4 n ASP 600 Ca -0.16 -1.86 -0.29 0.00 0.71 0.00 0.00 54.79 53.19 1pg4 n ASP 600 Cb 0.64 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1pg4 n ASP 600 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pg4 n SER 601 N -0.44 5.21 -4.70 -2.24 7.64 -1.26 -5.05 113.62 112.77 1pg4 n SER 601 Ca 0.01 -3.74 -0.42 0.00 1.01 0.00 0.00 58.87 55.73 1pg4 n SER 601 Cb 0.33 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1pg4 n SER 601 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1pg4 s LEU 602 N -3.64 4.35 0.13 -3.43 1.43 -1.26 -4.78 118.68 111.47 1pg4 s LEU 602 Ca 0.49 2.05 -0.31 0.00 -1.03 0.00 0.00 54.13 55.32 1pg4 s LEU 602 Cb 0.39 -3.57 -0.08 0.00 0.03 0.00 0.00 46.19 42.96 1pg4 s LEU 602 CO -0.22 -0.56 1.35 -2.16 0.23 0.00 0.00 176.35 174.98 1pg4 s PRO 603 N 1.50 4.35 0.09 1.29 0.04 -1.26 -5.01 135.00 136.00 1pg4 s PRO 603 Ca 0.60 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.67 1pg4 s PRO 603 Cb -0.30 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 1pg4 s PRO 603 CO 0.28 -0.37 -0.00 0.15 0.04 0.00 0.00 177.00 177.10 1pg4 s LYS 604 N 0.79 0.78 0.59 4.56 1.02 -1.26 -1.75 119.74 124.47 1pg4 s LYS 604 Ca 0.62 -1.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.24 1pg4 s LYS 604 Cb -0.36 0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.12 1pg4 s LYS 604 CO 0.32 -0.15 0.87 0.95 -0.92 0.00 0.00 175.35 176.42 1pg4 s THR 605 N -3.92 3.31 0.50 2.17 -4.23 0.10 -1.08 115.64 112.51 1pg4 s THR 605 Ca 0.15 -0.20 0.36 0.00 -1.18 0.00 0.00 61.69 60.81 1pg4 s THR 605 Cb 0.07 -3.31 0.39 0.00 1.34 0.00 0.00 72.50 70.99 1pg4 s THR 605 CO -0.04 -0.30 2.22 0.03 -0.54 0.00 0.00 174.62 175.99 1pg4 h ARG 606 N -0.15 0.00 0.00 3.99 3.08 -1.96 0.14 114.38 119.48 1pg4 h ARG 606 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1pg4 h ARG 606 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1pg4 h ARG 606 CO 0.59 0.03 -0.04 -1.13 -1.07 0.00 0.00 179.97 178.35 1pg4 n SER 607 N -3.35 0.46 0.00 7.04 3.41 -1.26 -4.91 113.62 115.01 1pg4 n SER 607 Ca -0.02 0.50 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1pg4 n SER 607 Cb 0.15 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 1pg4 n SER 607 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pg4 n GLY 608 N 1.40 0.89 3.73 5.00 0.00 0.48 -5.08 105.19 111.60 1pg4 n GLY 608 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1pg4 n GLY 608 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pg4 s LYS 609 N -0.86 4.40 0.27 1.61 0.00 -1.25 -4.74 119.74 119.17 1pg4 s LYS 609 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 55.97 56.49 1pg4 s LYS 609 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 37.83 34.33 1pg4 s LYS 609 CO 0.00 0.18 1.24 -1.50 0.00 0.00 0.00 175.35 175.28 1pg4 s ILE 610 N 0.41 3.12 -0.37 3.79 -1.16 -1.26 0.03 121.20 125.75 1pg4 s ILE 610 Ca 0.34 1.05 -0.12 0.00 -0.51 0.00 0.00 60.65 61.42 1pg4 s ILE 610 Cb -0.18 -3.67 0.02 0.00 0.61 0.00 0.00 42.46 39.24 1pg4 s ILE 610 CO 0.17 0.22 0.23 0.00 -2.81 0.00 0.00 174.94 172.75 1pg4 s MET 611 N -1.14 2.99 0.11 3.50 0.00 -0.72 -4.89 119.30 119.16 1pg4 s MET 611 Ca 0.50 -0.98 0.24 0.00 0.00 0.00 0.00 55.69 55.46 1pg4 s MET 611 Cb -0.36 -3.78 0.40 0.00 0.00 0.00 0.00 34.83 31.10 1pg4 s MET 611 CO 0.45 -0.65 1.37 0.54 0.00 0.00 0.00 175.02 176.72 1pg4 n ARG 612 N 5.05 0.25 -0.07 3.16 1.74 -1.26 -4.10 116.66 121.43 1pg4 n ARG 612 Ca -0.12 0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 1pg4 n ARG 612 Cb 0.47 -1.67 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 1pg4 n ARG 612 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pg4 h ARG 613 N 0.00 0.26 -0.55 5.56 2.47 -2.00 0.07 114.38 120.19 1pg4 h ARG 613 Ca 0.00 -0.02 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 1pg4 h ARG 613 Cb 0.71 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.95 1pg4 h ARG 613 CO 0.00 0.17 -0.04 0.97 0.56 0.00 0.00 179.97 181.63 1pg4 h ILE 614 N 0.27 1.27 -0.42 2.04 6.09 -2.01 -2.78 117.51 121.96 1pg4 h ILE 614 Ca 0.11 -1.18 -0.05 0.00 -1.37 0.00 0.00 64.86 62.37 1pg4 h ILE 614 Cb 0.04 0.91 -0.02 0.00 0.47 0.00 0.00 36.82 38.22 1pg4 h ILE 614 CO -0.08 0.42 0.03 -0.07 -3.07 0.00 0.00 178.15 175.38 1pg4 h LEU 615 N 0.88 0.62 -0.38 2.19 3.38 -1.64 -2.33 115.31 118.04 1pg4 h LEU 615 Ca 0.15 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1pg4 h LEU 615 Cb 0.59 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1pg4 h LEU 615 CO 0.04 0.67 0.16 -0.09 0.09 0.00 0.00 178.44 179.30 1pg4 h ARG 616 N 0.63 0.56 -0.24 1.13 2.43 -0.79 -1.85 114.38 116.25 1pg4 h ARG 616 Ca 0.13 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1pg4 h ARG 616 Cb 0.34 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1pg4 h ARG 616 CO 0.01 0.53 0.04 0.87 -1.51 0.00 0.00 179.97 179.91 1pg4 h LYS 617 N 0.47 0.40 -0.15 0.20 1.57 -1.26 -2.63 116.57 115.18 1pg4 h LYS 617 Ca 0.13 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1pg4 h LYS 617 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1pg4 h LYS 617 CO -0.01 0.53 0.10 0.82 -0.57 0.00 0.00 179.45 180.32 1pg4 h ILE 618 N 0.21 1.05 -0.23 1.86 2.04 -1.37 -0.32 117.51 120.75 1pg4 h ILE 618 Ca 0.07 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1pg4 h ILE 618 Cb 0.33 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1pg4 h ILE 618 CO 0.00 0.05 0.15 0.00 0.00 0.00 0.00 178.15 178.35 1pg4 h ALA 619 N 1.04 1.89 0.00 1.87 0.00 -1.34 -1.24 119.26 121.47 1pg4 h ALA 619 Ca 0.05 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1pg4 h ALA 619 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1pg4 h ALA 619 CO -0.01 0.09 -0.81 0.00 0.00 0.00 0.00 179.25 178.52 1pg4 h ALA 620 N 1.86 0.58 0.00 0.00 0.00 -1.04 -3.48 119.26 117.19 1pg4 h ALA 620 Ca 0.09 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1pg4 h ALA 620 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1pg4 h ALA 620 CO -0.02 1.01 0.00 0.41 0.00 0.00 0.00 179.25 180.65 1pg4 n GLY 621 N 1.00 2.18 0.00 0.00 0.00 -0.24 -5.01 105.19 103.13 1pg4 n GLY 621 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1pg4 n GLY 621 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pg4 n ASP 622 N 0.00 0.00 0.00 1.61 3.85 -0.57 -4.92 116.55 116.51 1pg4 n ASP 622 Ca 0.00 0.51 0.00 0.00 -0.71 0.00 0.00 54.79 54.59 1pg4 n ASP 622 Cb 0.00 -0.13 0.00 0.00 -1.35 0.00 0.00 41.12 39.64 1pg4 n ASP 622 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1pg4 n ALA 633 N -0.89 0.00 -3.50 2.12 0.00 -0.24 -4.79 120.51 113.21 1pg4 n ALA 633 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1pg4 n ALA 633 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1pg4 n ALA 633 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pg4 s ASP 634 N 0.00 3.13 0.14 0.00 2.15 -1.26 -4.98 116.67 115.85 1pg4 s ASP 634 Ca 0.00 -2.04 0.11 0.00 0.43 0.00 0.00 52.55 51.04 1pg4 s ASP 634 Cb 0.00 -0.44 0.56 0.00 -0.30 0.00 0.00 42.92 42.74 1pg4 s ASP 634 CO 0.00 -0.33 1.33 -0.81 -0.17 0.00 0.00 175.17 175.19 1pg4 n PRO 635 N 4.24 0.07 0.24 4.34 -0.06 -1.26 -2.33 135.00 140.24 1pg4 n PRO 635 Ca 0.08 0.53 0.12 0.00 -0.06 0.00 0.00 63.50 64.18 1pg4 n PRO 635 Cb 0.38 -1.70 0.55 0.00 -0.06 0.00 0.00 33.50 32.66 1pg4 n PRO 635 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 175.50 176.22 1pg4 h GLY 636 N 0.30 0.00 1.57 0.55 0.00 -2.01 -3.20 103.07 100.29 1pg4 h GLY 636 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.36 1pg4 h GLY 636 CO 0.00 0.00 0.22 -0.39 0.00 0.00 0.00 176.54 176.37 1pg4 h VAL 637 N 0.00 1.00 -0.07 4.60 -1.51 -1.77 -3.05 116.25 115.45 1pg4 h VAL 637 Ca -0.00 -0.10 0.03 0.00 -1.23 0.00 0.00 66.70 65.39 1pg4 h VAL 637 Cb 0.64 0.67 -0.03 0.00 -2.13 0.00 0.00 31.29 30.44 1pg4 h VAL 637 CO 0.02 0.06 -0.13 0.58 -1.23 0.00 0.00 177.57 176.87 1pg4 h VAL 638 N 0.30 0.66 -0.78 7.19 2.07 -1.80 0.15 116.25 124.05 1pg4 h VAL 638 Ca 0.13 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 1pg4 h VAL 638 Cb 0.16 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1pg4 h VAL 638 CO -0.03 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 177.81 1pg4 h GLU 639 N -0.18 1.14 0.06 1.57 4.57 -1.77 -0.83 114.58 119.14 1pg4 h GLU 639 Ca 0.07 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1pg4 h GLU 639 Cb 0.28 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1pg4 h GLU 639 CO -0.17 0.91 -0.03 0.87 -1.18 0.00 0.00 179.01 179.41 1pg4 h LYS 640 N 1.12 -0.07 -0.79 1.92 6.56 -1.46 -2.11 116.57 121.74 1pg4 h LYS 640 Ca 0.26 0.01 0.09 0.00 -1.06 0.00 0.00 60.65 59.94 1pg4 h LYS 640 Cb 0.18 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 31.79 1pg4 h LYS 640 CO -0.03 0.11 0.44 -0.07 -2.06 0.00 0.00 179.45 177.85 1pg4 h LEU 641 N -0.25 0.64 -0.25 2.94 3.38 -0.49 -0.48 115.31 120.81 1pg4 h LEU 641 Ca -0.01 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1pg4 h LEU 641 Cb 0.22 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1pg4 h LEU 641 CO 0.01 0.38 0.11 -0.07 0.09 0.00 0.00 178.44 178.96 1pg4 h LEU 642 N 0.76 0.16 -0.80 1.67 3.38 -0.95 0.49 115.31 120.02 1pg4 h LEU 642 Ca 0.37 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.24 1pg4 h LEU 642 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1pg4 h LEU 642 CO -0.23 0.13 -0.33 -0.33 0.09 0.00 0.00 178.44 177.76 1pg4 h GLU 643 N 0.24 0.51 -0.50 1.13 5.08 -0.81 -0.77 114.58 119.47 1pg4 h GLU 643 Ca 0.10 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1pg4 h GLU 643 Cb 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1pg4 h GLU 643 CO -0.08 0.78 -0.13 0.93 -1.00 0.00 0.00 179.01 179.52 1pg4 h GLU 644 N 0.44 0.94 -0.61 2.33 5.08 -0.80 -2.80 114.58 119.15 1pg4 h GLU 644 Ca 0.05 -0.35 -0.07 0.00 -1.00 0.00 0.00 59.36 57.99 1pg4 h GLU 644 Cb 0.79 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1pg4 h GLU 644 CO 0.06 1.01 0.09 -0.22 -1.00 0.00 0.00 179.01 178.95 1pg4 h LYS 645 N 0.84 1.00 -0.48 2.33 3.11 -0.56 -2.71 116.57 120.11 1pg4 h LYS 645 Ca 0.13 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1pg4 h LYS 645 Cb 0.67 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1pg4 h LYS 645 CO 0.05 0.93 0.31 0.37 -2.81 0.00 0.00 179.45 178.30 1pg4 h GLN 646 N 0.94 0.63 0.00 1.90 -0.00 -0.89 -3.51 115.11 114.18 1pg4 h GLN 646 Ca 0.19 -0.04 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 1pg4 h GLN 646 Cb 0.42 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.76 1pg4 h GLN 646 CO 0.01 0.42 0.00 0.00 0.00 0.00 0.00 178.83 179.26