#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyg n LYS 11 N 0.00 0.00 -0.16 2.89 5.02 -1.26 -4.31 118.16 120.34 1pyg n LYS 11 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1pyg n LYS 11 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 1pyg n LYS 11 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1pyg n GLN 12 N 0.00 1.35 -3.85 1.97 7.27 -1.26 -4.63 117.38 118.24 1pyg n GLN 12 Ca 0.00 -0.45 -0.30 0.00 0.07 0.00 0.00 57.00 56.33 1pyg n GLN 12 Cb 0.00 -1.36 -0.16 0.00 2.41 0.00 0.00 30.24 31.13 1pyg n GLN 12 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1pyg s ILE 13 N -0.82 1.24 0.26 1.69 1.01 -1.26 -5.10 121.20 118.22 1pyg s ILE 13 Ca 0.08 -1.28 -0.17 0.00 0.00 0.00 0.00 60.65 59.28 1pyg s ILE 13 Cb 0.07 -1.72 0.01 0.00 0.01 0.00 0.00 42.46 40.83 1pyg s ILE 13 CO 0.02 -0.34 0.60 -0.55 0.00 0.00 0.00 174.94 174.67 1pyg s SER 14 N 1.49 -0.18 0.61 3.58 0.15 -1.26 -5.00 113.70 113.09 1pyg s SER 14 Ca 0.01 -0.76 0.39 0.00 0.70 0.00 0.00 55.95 56.30 1pyg s SER 14 Cb -0.18 0.66 1.93 0.00 -1.71 0.00 0.00 66.02 66.72 1pyg s SER 14 CO -0.12 -1.25 2.19 -0.37 1.20 0.00 0.00 173.24 174.89 1pyg h VAL 15 N 2.12 0.00 0.00 4.45 -1.51 -1.99 -3.43 116.25 115.90 1pyg h VAL 15 Ca -0.22 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 1pyg h VAL 15 Cb 1.25 1.23 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1pyg h VAL 15 CO 0.29 0.00 0.00 -2.11 -1.23 0.00 0.00 177.57 174.52 1pyg n ARG 16 N -3.07 0.00 0.00 5.19 1.85 -1.26 -1.44 116.66 117.93 1pyg n ARG 16 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 1pyg n ARG 16 Cb 0.18 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.59 1pyg n ARG 16 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pyg n GLY 17 N 0.00 0.00 0.11 2.89 0.00 -1.26 -5.08 105.19 101.84 1pyg n GLY 17 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1pyg n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pyg h LEU 18 N 0.00 0.38 -1.52 0.99 3.38 -1.59 -3.27 115.31 113.68 1pyg h LEU 18 Ca 0.00 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1pyg h LEU 18 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1pyg h LEU 18 CO 0.00 1.37 -0.01 0.00 0.09 0.00 0.00 178.44 179.89 1pyg h ALA 19 N 0.58 1.00 -0.29 1.53 0.00 -1.93 -3.48 119.26 116.68 1pyg h ALA 19 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1pyg h ALA 19 Cb 1.98 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1pyg h ALA 19 CO 0.18 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1pyg n GLY 20 N -0.01 2.81 3.39 0.00 0.00 -1.24 -4.85 105.19 105.29 1pyg n GLY 20 Ca 0.00 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1pyg n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pyg s VAL 21 N 0.00 1.44 -1.16 1.61 1.01 -1.26 -5.01 120.40 117.02 1pyg s VAL 21 Ca 0.00 -2.09 -0.11 0.00 0.00 0.00 0.00 61.98 59.78 1pyg s VAL 21 Cb 0.00 -2.39 0.23 0.00 0.00 0.00 0.00 36.38 34.22 1pyg s VAL 21 CO 0.00 -0.33 1.30 -0.62 0.00 0.00 0.00 175.10 175.45 1pyg n GLU 22 N -0.52 3.51 -4.15 2.72 -0.58 -1.26 -4.73 120.64 115.64 1pyg n GLU 22 Ca -0.06 -4.17 -0.15 0.00 -0.42 0.00 0.00 57.16 52.36 1pyg n GLU 22 Cb 0.63 -2.77 -0.14 0.00 -0.57 0.00 0.00 31.44 28.59 1pyg n GLU 22 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1pyg s ASN 23 N 1.80 0.64 0.39 1.62 2.47 -1.26 -5.01 114.94 115.60 1pyg s ASN 23 Ca 0.36 -0.15 0.17 0.00 0.42 0.00 0.00 52.86 53.66 1pyg s ASN 23 Cb -0.06 -0.06 0.81 0.00 -1.45 0.00 0.00 41.25 40.50 1pyg s ASN 23 CO -0.03 0.03 1.83 0.58 -3.72 0.00 0.00 177.10 175.79 1pyg h VAL 24 N 4.95 1.06 -0.11 -5.21 2.07 -1.90 -2.25 116.25 114.86 1pyg h VAL 24 Ca -0.29 -1.26 -0.13 0.00 0.82 0.00 0.00 66.70 65.84 1pyg h VAL 24 Cb 1.19 1.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1pyg h VAL 24 CO 0.49 0.34 -0.43 0.74 0.02 0.00 0.00 177.57 178.73 1pyg h THR 25 N 0.00 1.37 0.00 2.57 2.02 -1.97 -1.93 112.91 114.97 1pyg h THR 25 Ca -0.00 -1.75 -0.11 0.00 0.77 0.00 0.00 66.41 65.32 1pyg h THR 25 Cb 0.69 2.16 -0.02 0.00 -1.74 0.00 0.00 68.15 69.24 1pyg h THR 25 CO 0.04 0.52 -0.52 -0.08 0.37 0.00 0.00 175.52 175.86 1pyg h GLU 26 N 0.08 0.00 0.00 6.66 4.57 -1.90 -2.21 114.58 121.78 1pyg h GLU 26 Ca -0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.09 1pyg h GLU 26 Cb 1.06 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 1pyg h GLU 26 CO 0.09 0.52 -0.34 1.25 -1.18 0.00 0.00 179.01 179.35 1pyg h LEU 27 N 0.00 0.00 0.05 1.64 5.85 -1.36 -0.12 115.31 121.37 1pyg h LEU 27 Ca -0.01 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 1pyg h LEU 27 Cb 1.15 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.19 1pyg h LEU 27 CO 0.07 0.34 -1.17 0.11 -0.34 0.00 0.00 178.44 177.45 1pyg h LYS 28 N 0.00 0.33 0.29 1.25 1.57 -1.08 -2.70 116.57 116.23 1pyg h LYS 28 Ca -0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1pyg h LYS 28 Cb 0.62 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1pyg h LYS 28 CO 0.04 1.20 -0.33 0.87 -0.57 0.00 0.00 179.45 180.67 1pyg h LYS 29 N 0.12 -0.64 -0.62 3.15 1.57 -0.76 -2.19 116.57 117.20 1pyg h LYS 29 Ca -0.13 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1pyg h LYS 29 Cb 1.87 0.14 -0.04 0.00 0.08 0.00 0.00 32.23 34.29 1pyg h LYS 29 CO 0.20 -0.42 0.41 -0.91 -0.57 0.00 0.00 179.45 178.16 1pyg h ASN 30 N -0.66 0.53 -0.49 0.86 2.35 -1.15 0.30 115.58 117.31 1pyg h ASN 30 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pyg h ASN 30 Cb 0.61 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1pyg h ASN 30 CO -0.08 0.34 0.32 0.15 -1.65 0.00 0.00 177.43 176.51 1pyg h PHE 31 N 0.60 0.62 -0.37 1.19 3.04 -1.09 0.17 116.94 121.09 1pyg h PHE 31 Ca 0.27 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 62.08 1pyg h PHE 31 Cb 0.30 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1pyg h PHE 31 CO -0.00 0.40 -0.38 -0.91 -2.02 0.00 0.00 178.31 175.39 1pyg h ASN 32 N 0.67 0.97 -0.53 0.41 2.35 -0.23 0.22 115.58 119.44 1pyg h ASN 32 Ca 0.18 -0.44 0.06 0.00 -0.55 0.00 0.00 56.30 55.55 1pyg h ASN 32 Cb -0.07 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 37.97 1pyg h ASN 32 CO -0.04 1.23 0.24 -0.09 -1.65 0.00 0.00 177.43 177.12 1pyg h ARG 33 N 0.74 0.44 -0.09 0.81 2.43 -0.29 -1.69 114.38 116.73 1pyg h ARG 33 Ca 0.06 -0.03 -0.19 0.00 -0.81 0.00 0.00 59.98 59.02 1pyg h ARG 33 Cb 0.97 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1pyg h ARG 33 CO 0.09 0.29 -0.72 0.45 -1.51 0.00 0.00 179.97 178.57 1pyg h HIS 34 N 0.45 0.60 -0.40 2.20 3.86 -0.41 0.86 115.15 122.30 1pyg h HIS 34 Ca 0.25 -0.26 0.02 0.00 -1.16 0.00 0.00 60.37 59.21 1pyg h HIS 34 Cb 0.22 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1pyg h HIS 34 CO -0.13 1.02 0.24 1.25 0.86 0.00 0.00 177.93 181.17 1pyg h LEU 35 N 0.31 0.39 0.08 2.43 5.85 -0.52 -1.29 115.31 122.56 1pyg h LEU 35 Ca -0.03 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.44 1pyg h LEU 35 Cb 1.30 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1pyg h LEU 35 CO 0.13 0.28 -1.29 0.45 -0.34 0.00 0.00 178.44 177.67 1pyg h HIS 36 N 0.49 0.30 0.03 1.25 3.86 -1.27 -2.11 115.15 117.70 1pyg h HIS 36 Ca 0.16 -0.22 -0.35 0.00 -1.16 0.00 0.00 60.37 58.80 1pyg h HIS 36 Cb -0.00 -0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1pyg h HIS 36 CO -0.07 1.50 -2.10 1.19 0.86 0.00 0.00 177.93 179.32 1pyg n PHE 37 N -4.07 0.64 0.04 2.45 3.72 0.29 -2.90 117.46 117.63 1pyg n PHE 37 Ca -0.26 0.18 -0.21 0.00 -0.05 0.00 0.00 57.45 57.12 1pyg n PHE 37 Cb 0.82 -1.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.12 1pyg n PHE 37 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1pyg h THR 38 N 0.02 1.37 -0.02 4.37 2.02 -1.51 -3.36 112.91 115.80 1pyg h THR 38 Ca -0.44 -2.50 0.00 0.00 0.77 0.00 0.00 66.41 64.24 1pyg h THR 38 Cb 2.05 3.06 0.00 0.00 -1.74 0.00 0.00 68.15 71.52 1pyg h THR 38 CO 0.04 0.71 -0.13 0.18 0.37 0.00 0.00 175.52 176.69 1pyg n LEU 39 N -4.06 2.36 -4.03 2.58 4.77 -0.53 -4.95 117.00 113.14 1pyg n LEU 39 Ca -0.17 -0.80 -0.32 0.00 -0.03 0.00 0.00 56.01 54.69 1pyg n LEU 39 Cb 0.85 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.91 1pyg n LEU 39 CO 0.47 0.40 -0.26 0.52 -1.33 0.00 0.00 177.39 177.19 1pyg n VAL 40 N 0.67 -2.94 -4.43 4.08 0.31 -1.14 -4.95 118.33 109.93 1pyg n VAL 40 Ca 0.14 -0.60 -0.21 0.00 -0.01 0.00 0.00 64.34 63.66 1pyg n VAL 40 Cb 0.51 -2.44 -0.10 0.00 -0.91 0.00 0.00 33.84 30.89 1pyg n VAL 40 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pyg s LYS 41 N -6.83 1.56 0.42 5.55 2.47 -0.80 -5.02 119.74 117.09 1pyg s LYS 41 Ca 0.17 -1.83 0.07 0.00 -1.56 0.00 0.00 55.97 52.82 1pyg s LYS 41 Cb -0.08 -0.96 -0.04 0.00 -1.46 0.00 0.00 37.83 35.30 1pyg s LYS 41 CO 0.93 -0.08 0.25 -0.51 0.16 0.00 0.00 175.35 176.10 1pyg s ASP 42 N -3.44 4.64 0.11 1.43 1.11 -1.26 -3.99 116.67 115.26 1pyg s ASP 42 Ca 0.32 -0.97 0.08 0.00 0.18 0.00 0.00 52.55 52.16 1pyg s ASP 42 Cb 0.06 -0.48 -0.21 0.00 1.07 0.00 0.00 42.92 43.36 1pyg s ASP 42 CO 0.13 -0.60 1.23 -0.09 1.18 0.00 0.00 175.17 177.02 1pyg h ARG 43 N 1.27 0.00 0.00 8.23 2.43 -1.97 -0.60 114.38 123.74 1pyg h ARG 43 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1pyg h ARG 43 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1pyg h ARG 43 CO 0.65 0.94 0.00 -0.91 -1.51 0.00 0.00 179.97 179.15 1pyg h ASN 44 N 0.00 0.00 0.00 -3.80 2.35 -2.05 -3.31 115.58 108.77 1pyg h ASN 44 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1pyg h ASN 44 Cb 1.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.15 1pyg h ASN 44 CO 0.12 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.23 1pyg n VAL 45 N -2.77 0.00 -2.10 2.81 0.24 -1.20 -5.06 118.33 110.26 1pyg n VAL 45 Ca 0.04 -0.37 -0.35 0.00 -2.04 0.00 0.00 64.34 61.62 1pyg n VAL 45 Cb 0.44 1.23 0.02 0.00 -1.47 0.00 0.00 33.84 34.05 1pyg n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyg s ALA 46 N -0.10 2.61 0.41 2.33 0.00 -0.24 -4.85 121.76 121.92 1pyg s ALA 46 Ca 0.00 0.79 0.03 0.00 0.00 0.00 0.00 51.96 52.79 1pyg s ALA 46 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1pyg s ALA 46 CO 0.00 -0.95 0.11 0.95 0.00 0.00 0.00 175.76 175.86 1pyg s THR 47 N -1.87 0.75 0.31 0.00 -4.23 -1.26 -4.99 115.64 104.34 1pyg s THR 47 Ca 0.72 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.30 1pyg s THR 47 Cb -0.24 -2.40 0.30 0.00 1.34 0.00 0.00 72.50 71.50 1pyg s THR 47 CO 0.31 0.00 1.76 -0.65 -0.54 0.00 0.00 174.62 175.51 1pyg h PRO 48 N 1.80 0.70 -0.49 3.99 0.11 -1.98 -0.04 132.00 136.09 1pyg h PRO 48 Ca -0.37 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.64 1pyg h PRO 48 Cb 1.27 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1pyg h PRO 48 CO 0.60 0.46 0.06 -0.09 -0.21 0.00 0.00 178.00 178.83 1pyg h ARG 49 N 0.72 0.81 -0.46 1.05 2.43 -1.96 0.19 114.38 117.16 1pyg h ARG 49 Ca 0.60 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1pyg h ARG 49 Cb 0.98 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1pyg h ARG 49 CO -0.41 0.83 0.27 -0.44 -1.51 0.00 0.00 179.97 178.71 1pyg h ASP 50 N 0.68 0.56 -0.81 -3.80 3.32 -1.41 0.78 116.42 115.74 1pyg h ASP 50 Ca 0.15 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pyg h ASP 50 Cb 0.42 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.79 1pyg h ASP 50 CO 0.01 0.46 0.50 1.88 -1.72 0.00 0.00 179.24 180.37 1pyg h TYR 51 N 0.62 1.07 0.16 4.55 0.05 -1.16 -1.53 116.97 120.72 1pyg h TYR 51 Ca 0.17 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1pyg h TYR 51 Cb 0.01 -0.35 0.00 0.00 1.01 0.00 0.00 36.73 37.40 1pyg h TYR 51 CO -0.03 0.70 -0.08 -0.92 -1.05 0.00 0.00 178.16 176.79 1pyg h TYR 52 N 1.12 -0.20 -0.78 4.88 3.20 0.62 -2.69 116.97 123.12 1pyg h TYR 52 Ca 0.29 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.29 1pyg h TYR 52 Cb -0.06 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1pyg h TYR 52 CO 0.00 0.08 0.51 0.74 -1.64 0.00 0.00 178.16 177.85 1pyg h PHE 53 N -0.46 0.63 -0.03 -3.82 0.04 -0.37 0.72 116.94 113.65 1pyg h PHE 53 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1pyg h PHE 53 Cb 0.36 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 1pyg h PHE 53 CO 0.01 0.26 0.01 0.00 -0.60 0.00 0.00 178.31 177.99 1pyg h ALA 54 N 1.63 0.04 -0.63 2.45 0.00 -1.22 0.40 119.26 121.93 1pyg h ALA 54 Ca 0.38 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 1pyg h ALA 54 Cb 0.68 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1pyg h ALA 54 CO -0.14 -0.42 0.23 1.25 0.00 0.00 0.00 179.25 180.18 1pyg h LEU 55 N -0.05 0.89 -0.35 0.00 5.85 -0.89 -1.76 115.31 119.00 1pyg h LEU 55 Ca 0.01 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1pyg h LEU 55 Cb 0.09 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 1pyg h LEU 55 CO -0.00 0.83 0.21 0.00 -0.34 0.00 0.00 178.44 179.14 1pyg h ALA 56 N 1.09 0.44 -0.09 1.25 0.00 -0.63 -1.74 119.26 119.59 1pyg h ALA 56 Ca 0.21 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1pyg h ALA 56 Cb 0.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1pyg h ALA 56 CO -0.01 -0.13 -0.29 0.45 0.00 0.00 0.00 179.25 179.27 1pyg h HIS 57 N 0.43 0.17 -0.44 0.00 3.86 -0.78 0.40 115.15 118.79 1pyg h HIS 57 Ca 0.14 -0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.20 1pyg h HIS 57 Cb -0.01 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1pyg h HIS 57 CO -0.07 0.43 -0.20 1.15 0.86 0.00 0.00 177.93 180.10 1pyg h THR 58 N 0.14 1.27 -0.02 2.45 2.02 -0.62 -2.64 112.91 115.51 1pyg h THR 58 Ca 0.02 -1.34 -0.12 0.00 0.77 0.00 0.00 66.41 65.75 1pyg h THR 58 Cb 0.59 1.15 0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1pyg h THR 58 CO 0.04 0.45 -0.44 0.58 0.37 0.00 0.00 175.52 176.52 1pyg h VAL 59 N 0.76 1.45 -0.74 3.16 2.07 -1.22 -3.31 116.25 118.42 1pyg h VAL 59 Ca 0.11 -1.95 0.18 0.00 0.82 0.00 0.00 66.70 65.86 1pyg h VAL 59 Cb 0.74 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 1pyg h VAL 59 CO 0.06 0.56 0.51 -0.09 0.02 0.00 0.00 177.57 178.63 1pyg h ARG 60 N -0.20 0.19 -0.85 1.57 2.43 -0.86 0.55 114.38 117.20 1pyg h ARG 60 Ca -0.05 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1pyg h ARG 60 Cb 1.15 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.62 1pyg h ARG 60 CO 0.09 0.12 0.41 -0.44 -1.51 0.00 0.00 179.97 178.64 1pyg h ASP 61 N 0.19 1.11 -0.61 -3.80 3.32 -1.56 -0.65 116.42 114.44 1pyg h ASP 61 Ca 0.36 -0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.20 1pyg h ASP 61 Cb 1.14 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.38 1pyg h ASP 61 CO -0.07 0.94 0.08 0.45 -1.72 0.00 0.00 179.24 178.92 1pyg h HIS 62 N 1.21 1.11 0.08 4.55 3.86 -1.04 -1.47 115.15 123.45 1pyg h HIS 62 Ca 0.29 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1pyg h HIS 62 Cb 0.12 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1pyg h HIS 62 CO 0.02 0.94 -0.04 1.25 0.86 0.00 0.00 177.93 180.96 1pyg h LEU 63 N 0.97 -0.10 -0.64 2.43 5.85 -1.25 -3.19 115.31 119.38 1pyg h LEU 63 Ca 0.19 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1pyg h LEU 63 Cb 0.45 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1pyg h LEU 63 CO 0.01 0.36 0.42 0.58 -0.34 0.00 0.00 178.44 179.48 1pyg h VAL 64 N -0.58 1.15 -0.99 1.05 2.07 -1.02 -1.12 116.25 116.81 1pyg h VAL 64 Ca -0.01 -0.29 0.15 0.00 0.82 0.00 0.00 66.70 67.36 1pyg h VAL 64 Cb 0.48 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 1pyg h VAL 64 CO 0.02 0.16 0.62 1.23 0.02 0.00 0.00 177.57 179.61 1pyg h GLY 65 N 0.86 1.61 1.42 2.17 0.00 -1.33 -1.68 103.07 106.13 1pyg h GLY 65 Ca 0.24 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 46.99 1pyg h GLY 65 CO -0.06 0.08 -0.75 3.21 0.00 0.00 0.00 176.54 179.02 1pyg h ARG 66 N 0.87 0.57 -0.70 4.80 3.08 -1.39 -2.87 114.38 118.73 1pyg h ARG 66 Ca 0.52 -0.47 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1pyg h ARG 66 Cb 0.67 0.10 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1pyg h ARG 66 CO -0.29 1.09 0.43 2.35 -1.07 0.00 0.00 179.97 182.48 1pyg h TRP 67 N 0.39 0.80 -0.32 3.04 7.01 -0.31 -0.12 115.95 126.44 1pyg h TRP 67 Ca -0.04 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.88 1pyg h TRP 67 Cb 1.35 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 28.14 1pyg h TRP 67 CO 0.06 0.45 -0.19 0.82 -2.79 0.00 0.00 178.44 176.79 1pyg h ILE 68 N 0.83 1.29 0.00 2.65 2.04 -1.44 -0.49 117.51 122.39 1pyg h ILE 68 Ca 0.29 -1.32 -0.08 0.00 1.00 0.00 0.00 64.86 64.75 1pyg h ILE 68 Cb 0.05 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1pyg h ILE 68 CO -0.12 0.43 -0.40 0.03 0.00 0.00 0.00 178.15 178.08 1pyg h ARG 69 N 0.47 0.00 0.41 2.37 3.08 -1.32 -2.75 114.38 116.64 1pyg h ARG 69 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1pyg h ARG 69 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1pyg h ARG 69 CO 0.05 0.40 -0.20 1.15 -1.07 0.00 0.00 179.97 180.31 1pyg h THR 70 N 0.00 0.30 -0.71 2.04 2.02 -0.66 -3.02 112.91 112.88 1pyg h THR 70 Ca -0.00 -0.63 0.08 0.00 0.77 0.00 0.00 66.41 66.63 1pyg h THR 70 Cb 0.84 0.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.66 1pyg h THR 70 CO 0.05 0.06 0.37 1.56 0.37 0.00 0.00 175.52 177.94 1pyg h GLN 71 N -1.04 0.63 -0.34 6.66 1.08 -1.12 -0.75 115.11 120.24 1pyg h GLN 71 Ca -0.06 -0.04 0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1pyg h GLN 71 Cb 0.53 -0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.75 1pyg h GLN 71 CO 0.09 0.41 -0.10 1.96 -0.95 0.00 0.00 178.83 180.24 1pyg h GLN 72 N 0.64 -0.03 -0.39 1.46 4.20 -1.63 -1.16 115.11 118.21 1pyg h GLN 72 Ca 0.34 0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.09 1pyg h GLN 72 Cb 0.32 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1pyg h GLN 72 CO -0.24 -0.02 0.26 1.25 -0.67 0.00 0.00 178.83 179.41 1pyg h HIS 73 N -0.03 0.38 -0.05 2.96 2.76 -1.03 -0.14 115.15 120.00 1pyg h HIS 73 Ca 0.17 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1pyg h HIS 73 Cb 0.28 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1pyg h HIS 73 CO -0.33 0.22 -0.03 1.88 -1.30 0.00 0.00 177.93 178.37 1pyg h TYR 74 N 0.40 0.13 -0.34 5.26 0.05 -0.36 -2.14 116.97 119.97 1pyg h TYR 74 Ca 0.16 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.91 1pyg h TYR 74 Cb 0.14 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1pyg h TYR 74 CO -0.00 0.53 0.23 1.88 -1.05 0.00 0.00 178.16 179.75 1pyg h TYR 75 N -0.31 0.43 -0.35 4.88 0.05 -0.67 0.20 116.97 121.21 1pyg h TYR 75 Ca 0.01 0.01 -0.15 0.00 0.05 0.00 0.00 58.73 58.65 1pyg h TYR 75 Cb 0.50 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1pyg h TYR 75 CO 0.08 0.27 -0.39 1.49 -1.05 0.00 0.00 178.16 178.56 1pyg h GLU 76 N 0.47 0.84 -0.01 4.88 4.81 -1.00 -3.29 114.58 121.29 1pyg h GLU 76 Ca 0.13 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1pyg h GLU 76 Cb -0.05 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1pyg h GLU 76 CO -0.03 1.08 -0.64 1.63 -0.73 0.00 0.00 179.01 180.32 1pyg n LYS 77 N -4.05 0.66 -3.93 1.92 4.01 -0.76 -4.96 118.16 111.06 1pyg n LYS 77 Ca -0.02 -0.53 -0.41 0.00 -0.51 0.00 0.00 58.31 56.85 1pyg n LYS 77 Cb 0.54 -1.49 0.03 0.00 -0.51 0.00 0.00 35.03 33.60 1pyg n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1pyg n ASP 78 N -0.71 -4.61 -4.66 4.39 2.03 0.64 -4.98 116.55 108.66 1pyg n ASP 78 Ca 0.07 -1.18 -0.29 0.00 0.52 0.00 0.00 54.79 53.91 1pyg n ASP 78 Cb 0.40 -2.26 0.18 0.00 -0.72 0.00 0.00 41.12 38.72 1pyg n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1pyg s PRO 79 N -6.82 0.37 -0.04 -0.67 0.04 -1.26 -4.96 135.00 121.66 1pyg s PRO 79 Ca 0.47 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.81 1pyg s PRO 79 Cb -0.23 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1pyg s PRO 79 CO 0.93 -2.79 1.25 0.21 0.04 0.00 0.00 177.00 176.63 1pyg s LYS 80 N -4.90 4.34 -0.05 4.56 2.20 -1.26 -4.91 119.74 119.71 1pyg s LYS 80 Ca 0.65 1.74 -0.22 0.00 -0.36 0.00 0.00 55.97 57.78 1pyg s LYS 80 Cb -0.19 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.53 1pyg s LYS 80 CO 0.58 -0.47 0.65 1.03 -0.36 0.00 0.00 175.35 176.78 1pyg s ARG 81 N 2.24 4.41 -0.24 4.03 3.00 0.13 -4.53 118.95 127.99 1pyg s ARG 81 Ca 0.58 0.80 -0.09 0.00 0.00 0.00 0.00 55.73 57.02 1pyg s ARG 81 Cb -0.26 -3.42 -0.04 0.00 0.00 0.00 0.00 34.95 31.23 1pyg s ARG 81 CO 0.23 0.15 0.12 0.42 0.00 0.00 0.00 175.30 176.21 1pyg s ILE 82 N 0.54 4.86 -0.28 1.52 1.09 -0.10 -0.61 121.20 128.22 1pyg s ILE 82 Ca 0.35 0.01 -0.10 0.00 -1.10 0.00 0.00 60.65 59.81 1pyg s ILE 82 Cb -0.18 -3.27 -0.03 0.00 -1.06 0.00 0.00 42.46 37.92 1pyg s ILE 82 CO 0.17 0.34 0.14 -0.31 -0.10 0.00 0.00 174.94 175.19 1pyg s TYR 83 N 1.29 3.16 -0.34 3.97 1.51 -0.04 -0.68 117.35 126.22 1pyg s TYR 83 Ca 0.06 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 55.81 1pyg s TYR 83 Cb -0.14 -2.33 -0.01 0.00 -0.11 0.00 0.00 41.96 39.36 1pyg s TYR 83 CO 0.05 -0.28 0.23 -0.47 -1.11 0.00 0.00 175.55 173.97 1pyg s TYR 84 N 1.69 3.22 -0.22 2.71 5.04 0.13 -1.26 117.35 128.66 1pyg s TYR 84 Ca 0.06 -0.31 -0.06 0.00 -2.44 0.00 0.00 57.07 54.32 1pyg s TYR 84 Cb -0.16 -2.46 -0.03 0.00 0.35 0.00 0.00 41.96 39.66 1pyg s TYR 84 CO 0.08 -0.40 0.03 -1.17 -1.34 0.00 0.00 175.55 172.75 1pyg s LEU 85 N 1.70 3.35 -0.00 6.97 2.96 -0.56 -2.30 118.68 130.80 1pyg s LEU 85 Ca 0.06 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1pyg s LEU 85 Cb -0.17 -1.87 0.01 0.00 0.50 0.00 0.00 46.19 44.66 1pyg s LEU 85 CO 0.10 0.03 0.23 -0.55 -1.32 0.00 0.00 176.35 174.84 1pyg s SER 86 N 1.19 -0.09 0.00 3.68 0.15 -1.10 -1.64 113.70 115.89 1pyg s SER 86 Ca 0.04 -0.07 0.18 0.00 0.70 0.00 0.00 55.95 56.80 1pyg s SER 86 Cb -0.14 0.27 0.51 0.00 -1.71 0.00 0.00 66.02 64.94 1pyg s SER 86 CO 0.02 -0.43 1.43 -0.11 1.20 0.00 0.00 173.24 175.35 1pyg n LEU 87 N 1.29 2.95 -3.57 3.45 7.94 -1.26 -4.33 117.00 123.46 1pyg n LEU 87 Ca -0.22 -1.43 -0.14 0.00 -1.11 0.00 0.00 56.01 53.11 1pyg n LEU 87 Cb 0.56 -0.34 -0.06 0.00 0.53 0.00 0.00 43.42 44.11 1pyg n LEU 87 CO 0.22 0.72 0.58 -1.83 -1.11 0.00 0.00 177.39 175.96 1pyg s GLU 88 N -1.32 0.80 -0.05 1.96 -1.05 -1.26 -4.88 118.70 112.90 1pyg s GLU 88 Ca 0.37 0.41 -0.02 0.00 -0.15 0.00 0.00 54.97 55.59 1pyg s GLU 88 Cb 0.20 0.38 0.03 0.00 -0.44 0.00 0.00 34.13 34.30 1pyg s GLU 88 CO 0.26 -0.20 0.04 -0.06 0.95 0.00 0.00 175.26 176.25 1pyg s PHE 89 N -0.67 0.23 -1.04 4.83 0.40 0.17 -4.16 117.98 117.73 1pyg s PHE 89 Ca -0.04 0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.36 1pyg s PHE 89 Cb -0.02 -0.54 0.27 0.00 0.51 0.00 0.00 43.02 43.24 1pyg s PHE 89 CO 0.03 -0.21 1.08 0.98 0.70 0.00 0.00 175.22 177.81 1pyg n TYR 90 N 5.10 4.50 -0.07 0.36 9.36 -0.02 -2.81 117.16 133.57 1pyg n TYR 90 Ca -0.08 -3.77 -0.13 0.00 3.32 0.00 0.00 57.90 57.24 1pyg n TYR 90 Cb 0.50 -1.46 -0.06 0.00 -0.63 0.00 0.00 39.34 37.69 1pyg n TYR 90 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1pyg h MET 91 N 6.21 0.51 0.00 2.98 2.86 -1.85 -3.43 114.93 122.21 1pyg h MET 91 Ca 0.18 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1pyg h MET 91 Cb 0.81 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1pyg h MET 91 CO 1.02 0.85 0.00 0.41 1.06 0.00 0.00 176.91 180.25 1pyg n GLY 92 N 0.18 0.44 3.63 8.32 0.00 -1.26 -4.83 105.19 111.67 1pyg n GLY 92 Ca -0.05 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.25 1pyg n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyg s ARG 93 N 0.00 3.97 0.21 1.61 0.52 -1.26 -1.45 118.95 122.55 1pyg s ARG 93 Ca 0.00 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 1pyg s ARG 93 Cb 0.00 -3.26 0.14 0.00 0.52 0.00 0.00 34.95 32.35 1pyg s ARG 93 CO 0.00 0.22 1.49 1.15 0.02 0.00 0.00 175.30 178.18 1pyg h THR 94 N 4.93 1.41 0.90 0.02 2.02 -1.88 -3.39 112.91 116.92 1pyg h THR 94 Ca -0.37 -2.17 -0.04 0.00 0.77 0.00 0.00 66.41 64.60 1pyg h THR 94 Cb 1.17 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.72 1pyg h THR 94 CO 0.69 0.64 -0.49 0.25 0.37 0.00 0.00 175.52 176.98 1pyg h LEU 95 N 0.18 -1.20 -1.06 2.58 5.85 -1.96 0.35 115.31 120.05 1pyg h LEU 95 Ca -0.02 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.70 1pyg h LEU 95 Cb 1.25 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.58 1pyg h LEU 95 CO 0.11 -0.79 0.09 -0.61 -0.34 0.00 0.00 178.44 176.91 1pyg h GLN 96 N -1.28 0.76 -0.48 1.25 4.15 -1.97 0.49 115.11 118.04 1pyg h GLN 96 Ca -0.12 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.11 1pyg h GLN 96 Cb 1.00 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.56 1pyg h GLN 96 CO 0.16 0.71 0.16 -0.97 -1.93 0.00 0.00 178.83 176.97 1pyg h ASN 97 N 0.73 0.63 -0.18 -0.69 -1.24 -1.72 0.60 115.58 113.72 1pyg h ASN 97 Ca 0.16 -0.08 -0.09 0.00 0.71 0.00 0.00 56.30 56.99 1pyg h ASN 97 Cb 0.31 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 1pyg h ASN 97 CO 0.00 0.59 -0.25 0.74 -1.29 0.00 0.00 177.43 177.22 1pyg h THR 98 N 0.68 1.34 -0.37 -3.57 2.02 0.10 -1.63 112.91 111.48 1pyg h THR 98 Ca 0.16 -1.46 -0.10 0.00 0.77 0.00 0.00 66.41 65.78 1pyg h THR 98 Cb 0.18 1.86 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1pyg h THR 98 CO -0.01 0.44 -0.17 0.24 0.37 0.00 0.00 175.52 176.39 1pyg h MET 99 N 0.14 0.69 -0.03 6.66 2.86 -0.47 -1.59 114.93 123.19 1pyg h MET 99 Ca 0.02 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1pyg h MET 99 Cb 0.82 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 1pyg h MET 99 CO 0.06 0.82 -0.02 0.28 1.06 0.00 0.00 176.91 179.11 1pyg h VAL 100 N 0.62 1.36 0.00 -2.22 2.07 0.23 0.25 116.25 118.56 1pyg h VAL 100 Ca 0.10 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 66.52 1pyg h VAL 100 Cb 0.63 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1pyg h VAL 100 CO 0.04 0.29 0.00 0.59 0.02 0.00 0.00 177.57 178.52 1pyg n ASN 101 N -4.82 0.65 -0.15 0.57 4.13 -0.62 -1.11 115.26 113.91 1pyg n ASN 101 Ca -0.08 0.72 0.01 0.00 1.68 0.00 0.00 54.58 56.91 1pyg n ASN 101 Cb 0.25 -0.83 0.03 0.00 -1.54 0.00 0.00 39.78 37.69 1pyg n ASN 101 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1pyg n LEU 102 N -2.28 1.88 -3.82 3.41 7.94 -0.62 -1.42 117.00 122.10 1pyg n LEU 102 Ca 0.00 -1.64 -0.28 0.00 -1.11 0.00 0.00 56.01 52.98 1pyg n LEU 102 Cb 0.14 -0.04 0.04 0.00 0.53 0.00 0.00 43.42 44.10 1pyg n LEU 102 CO 0.15 0.46 0.14 0.00 -1.11 0.00 0.00 177.39 177.04 1pyg n ALA 103 N -0.09 -1.32 0.22 1.96 0.00 -0.27 -4.90 120.51 116.11 1pyg n ALA 103 Ca 0.03 0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.79 1pyg n ALA 103 Cb 0.22 -4.71 -0.11 0.00 0.00 0.00 0.00 19.45 14.85 1pyg n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pyg n LEU 104 N -4.77 0.22 -0.15 0.00 4.77 0.81 -4.70 117.00 113.19 1pyg n LEU 104 Ca 0.02 -0.16 0.28 0.00 -0.03 0.00 0.00 56.01 56.12 1pyg n LEU 104 Cb 0.54 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.35 1pyg n LEU 104 CO 0.72 0.06 1.25 -0.08 -1.33 0.00 0.00 177.39 178.01 1pyg h GLU 105 N 0.00 0.00 0.13 3.23 4.81 -1.80 -1.59 114.58 119.36 1pyg h GLU 105 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 1pyg h GLU 105 Cb 0.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1pyg h GLU 105 CO 0.00 0.00 -1.73 -0.91 -0.73 0.00 0.00 179.01 175.64 1pyg h ASN 106 N 0.00 0.42 -0.97 1.04 -0.26 -1.90 -2.26 115.58 111.64 1pyg h ASN 106 Ca 0.40 -0.89 0.01 0.00 -0.56 0.00 0.00 56.30 55.26 1pyg h ASN 106 Cb 1.65 -0.14 -0.05 0.00 -1.06 0.00 0.00 38.32 38.72 1pyg h ASN 106 CO -0.00 1.75 0.64 0.00 -1.06 0.00 0.00 177.43 178.76 1pyg h ALA 107 N 0.00 1.23 -0.42 -0.83 0.00 -1.80 0.84 119.26 118.28 1pyg h ALA 107 Ca -0.37 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1pyg h ALA 107 Cb 1.92 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1pyg h ALA 107 CO 0.08 0.64 0.20 0.00 0.00 0.00 0.00 179.25 180.16 1pyg h ASP 109 N 0.54 0.38 -0.19 0.00 3.58 -0.30 0.10 116.42 120.53 1pyg h ASP 109 Ca 0.14 0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.60 1pyg h ASP 109 Cb 0.12 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1pyg h ASP 109 CO -0.02 0.24 -0.05 -0.33 -2.88 0.00 0.00 179.24 176.20 1pyg h GLU 110 N 0.53 0.38 -0.36 0.28 4.39 -0.78 -0.67 114.58 118.35 1pyg h GLU 110 Ca 0.29 -0.15 0.06 0.00 0.34 0.00 0.00 59.36 59.91 1pyg h GLU 110 Cb 0.27 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.84 1pyg h GLU 110 CO -0.23 0.64 0.00 0.00 -1.16 0.00 0.00 179.01 178.26 1pyg h ALA 111 N 0.73 0.33 -0.02 3.43 0.00 -0.53 -0.54 119.26 122.65 1pyg h ALA 111 Ca 0.05 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pyg h ALA 111 Cb 0.50 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1pyg h ALA 111 CO 0.02 -0.40 0.01 1.15 0.00 0.00 0.00 179.25 180.04 1pyg h THR 112 N 0.10 1.07 -0.47 0.00 2.02 -0.99 -1.85 112.91 112.80 1pyg h THR 112 Ca 0.17 -0.21 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1pyg h THR 112 Cb 0.24 1.17 -0.10 0.00 -1.74 0.00 0.00 68.15 67.72 1pyg h THR 112 CO -0.29 0.06 -0.21 1.88 0.37 0.00 0.00 175.52 177.33 1pyg h TYR 113 N -0.05 -0.53 0.00 3.16 0.05 -0.13 -0.96 116.97 118.51 1pyg h TYR 113 Ca 0.01 0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1pyg h TYR 113 Cb 0.08 0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1pyg h TYR 113 CO -0.05 -0.30 0.00 1.96 -1.05 0.00 0.00 178.16 178.73 1pyg h GLN 114 N -0.11 0.00 -0.02 4.88 4.20 -0.73 0.29 115.11 123.62 1pyg h GLN 114 Ca 0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.93 1pyg h GLN 114 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1pyg h GLN 114 CO -0.54 0.00 -0.10 1.28 -0.67 0.00 0.00 178.83 178.80 1pyg n LEU 115 N -2.88 2.11 -0.04 1.46 4.77 -0.40 -4.96 117.00 117.06 1pyg n LEU 115 Ca -0.01 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1pyg n LEU 115 Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1pyg n LEU 115 CO 0.22 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1pyg n GLY 116 N 1.30 1.27 3.28 -0.72 0.00 0.10 -5.09 105.19 105.33 1pyg n GLY 116 Ca 0.15 -0.35 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 1pyg n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyg s LEU 117 N -0.08 2.47 -0.27 0.99 1.43 -0.97 -5.04 118.68 117.21 1pyg s LEU 117 Ca 0.00 -0.91 0.02 0.00 -1.03 0.00 0.00 54.13 52.21 1pyg s LEU 117 Cb 0.00 -0.59 0.06 0.00 0.03 0.00 0.00 46.19 45.68 1pyg s LEU 117 CO 0.00 -0.16 -0.07 -0.62 0.23 0.00 0.00 176.35 175.72 1pyg s ASP 118 N -2.83 4.58 0.58 2.29 2.15 -1.26 -3.37 116.67 118.81 1pyg s ASP 118 Ca 0.15 -1.38 0.28 0.00 0.43 0.00 0.00 52.55 52.02 1pyg s ASP 118 Cb -0.03 -1.60 1.55 0.00 -0.30 0.00 0.00 42.92 42.55 1pyg s ASP 118 CO 0.04 -0.22 2.01 -0.03 -0.17 0.00 0.00 175.17 176.81 1pyg h MET 119 N 7.83 0.00 -0.11 4.34 1.85 -1.92 -0.28 114.93 126.63 1pyg h MET 119 Ca -0.19 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 58.89 1pyg h MET 119 Cb 1.05 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.07 1pyg h MET 119 CO 0.48 0.00 0.05 0.93 -0.40 0.00 0.00 176.91 177.97 1pyg h GLU 120 N 0.00 0.17 -0.60 0.39 5.08 -1.99 0.51 114.58 118.14 1pyg h GLU 120 Ca 0.15 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1pyg h GLU 120 Cb 0.79 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1pyg h GLU 120 CO -0.00 0.25 0.25 1.49 -1.00 0.00 0.00 179.01 180.00 1pyg h GLU 121 N 0.04 0.89 -0.72 2.33 4.81 -1.50 -2.85 114.58 117.58 1pyg h GLU 121 Ca 0.04 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1pyg h GLU 121 Cb 0.14 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1pyg h GLU 121 CO -0.00 0.76 0.43 -0.07 -0.73 0.00 0.00 179.01 179.40 1pyg h LEU 122 N 0.83 0.87 -1.72 1.64 4.07 -1.14 -2.09 115.31 117.78 1pyg h LEU 122 Ca 0.20 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 58.06 1pyg h LEU 122 Cb 0.19 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1pyg h LEU 122 CO -0.02 0.68 -0.17 -0.33 -1.08 0.00 0.00 178.44 177.52 1pyg h GLU 123 N 0.99 0.00 -0.00 1.13 5.08 -0.68 -2.65 114.58 118.45 1pyg h GLU 123 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1pyg h GLU 123 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1pyg h GLU 123 CO -0.05 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.52 1pyg n GLU 124 N -4.08 1.10 0.00 2.33 -0.58 -0.79 -2.71 120.64 115.90 1pyg n GLU 124 Ca -0.02 -0.14 0.13 0.00 -0.42 0.00 0.00 57.16 56.70 1pyg n GLU 124 Cb 0.25 -1.49 0.35 0.00 -0.57 0.00 0.00 31.44 29.98 1pyg n GLU 124 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1pyg n ILE 125 N -0.82 0.00 -2.36 -3.67 -0.00 -1.00 -4.89 119.36 106.62 1pyg n ILE 125 Ca 0.23 -0.02 -0.41 0.00 -0.00 0.00 0.00 62.75 62.55 1pyg n ILE 125 Cb 0.14 0.11 -0.03 0.00 -0.00 0.00 0.00 39.64 39.86 1pyg n ILE 125 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 1pyg s GLU 126 N -2.91 4.46 0.23 0.38 2.12 -1.10 -5.01 118.70 116.87 1pyg s GLU 126 Ca 0.14 1.88 -0.15 0.00 0.36 0.00 0.00 54.97 57.20 1pyg s GLU 126 Cb 0.18 -3.26 -0.08 0.00 0.26 0.00 0.00 34.13 31.23 1pyg s GLU 126 CO 0.64 -0.16 0.64 -1.21 -0.54 0.00 0.00 175.26 174.63 1pyg s GLU 127 N 0.14 4.01 0.15 4.30 0.41 -1.26 -5.02 118.70 121.44 1pyg s GLU 127 Ca 0.55 0.58 -0.31 0.00 -0.41 0.00 0.00 54.97 55.39 1pyg s GLU 127 Cb -0.32 -2.73 -0.08 0.00 -1.78 0.00 0.00 34.13 29.22 1pyg s GLU 127 CO 0.35 0.34 1.36 -0.51 -0.49 0.00 0.00 175.26 176.31 1pyg s ASP 128 N -1.98 6.84 -0.09 -0.19 1.11 -1.26 -4.65 116.67 116.45 1pyg s ASP 128 Ca 0.45 2.37 -0.29 0.00 0.18 0.00 0.00 52.55 55.27 1pyg s ASP 128 Cb -0.13 -2.60 -0.07 0.00 1.07 0.00 0.00 42.92 41.19 1pyg s ASP 128 CO 0.20 -0.61 2.00 0.00 1.18 0.00 0.00 175.17 177.94 1pyg s ALA 129 N 0.66 3.25 -1.56 5.23 0.00 -0.53 -4.84 121.76 123.97 1pyg s ALA 129 Ca 0.61 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 53.49 1pyg s ALA 129 Cb -0.37 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 18.79 1pyg s ALA 129 CO 0.34 -2.04 2.82 0.41 0.00 0.00 0.00 175.76 177.29 1pyg n GLY 130 N 4.96 4.45 0.39 0.00 0.00 -1.26 -4.20 105.19 109.52 1pyg n GLY 130 Ca 0.23 -1.62 0.04 0.00 0.00 0.00 0.00 46.02 44.68 1pyg n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pyg n LEU 131 N 3.33 1.98 -3.69 0.99 4.77 -1.26 -3.62 117.00 119.50 1pyg n LEU 131 Ca 0.74 -1.26 -0.09 0.00 -0.03 0.00 0.00 56.01 55.37 1pyg n LEU 131 Cb 0.24 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1pyg n LEU 131 CO 0.83 0.43 0.39 -0.83 -1.33 0.00 0.00 177.39 176.88 1pyg s GLY 132 N -0.79 -0.24 -0.03 -0.72 0.00 -1.12 -0.66 107.32 103.75 1pyg s GLY 132 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 44.72 44.84 1pyg s GLY 132 CO 0.11 -0.07 0.99 -2.01 0.00 0.00 0.00 173.10 172.12 1pyg n ASN 133 N -0.40 1.83 0.00 1.64 5.15 -1.26 -4.87 115.26 117.35 1pyg n ASN 133 Ca -0.10 -2.18 0.00 0.00 -0.60 0.00 0.00 54.58 51.70 1pyg n ASN 133 Cb 0.62 -0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1pyg n ASN 133 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1pyg n GLY 134 N -0.67 -0.56 0.13 8.20 0.00 -1.26 -5.03 105.19 106.00 1pyg n GLY 134 Ca 0.04 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 1pyg n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1pyg h GLY 135 N 0.00 0.31 0.08 -0.02 0.00 -2.00 0.34 103.07 101.78 1pyg h GLY 135 Ca 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 47.33 47.38 1pyg h GLY 135 CO 0.00 -0.00 -0.21 -2.00 0.00 0.00 0.00 176.54 174.33 1pyg h LEU 136 N 0.16 -0.69 -0.71 3.11 5.85 -1.95 0.11 115.31 121.19 1pyg h LEU 136 Ca 0.12 0.15 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 1pyg h LEU 136 Cb 0.12 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1pyg h LEU 136 CO -0.16 -0.24 -0.40 1.23 -0.34 0.00 0.00 178.44 178.53 1pyg h GLY 137 N -0.16 0.57 1.50 3.75 0.00 -1.61 -1.97 103.07 105.15 1pyg h GLY 137 Ca 0.17 -0.57 -0.17 0.00 0.00 0.00 0.00 47.33 46.77 1pyg h GLY 137 CO -0.44 0.51 -0.60 -0.09 0.00 0.00 0.00 176.54 175.93 1pyg h ARG 138 N 0.43 0.51 -0.21 4.80 1.12 0.28 0.17 114.38 121.48 1pyg h ARG 138 Ca 0.04 -0.35 -0.01 0.00 -1.11 0.00 0.00 59.98 58.56 1pyg h ARG 138 Cb 0.89 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.89 1pyg h ARG 138 CO 0.08 0.96 0.11 1.25 -3.11 0.00 0.00 179.97 179.26 1pyg h LEU 139 N 0.38 0.27 -0.94 3.80 5.85 -0.33 0.45 115.31 124.79 1pyg h LEU 139 Ca -0.00 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.67 1pyg h LEU 139 Cb 1.15 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1pyg h LEU 139 CO 0.11 0.29 0.60 0.00 -0.34 0.00 0.00 178.44 179.10 1pyg h ALA 140 N 0.99 1.27 -0.52 1.25 0.00 -1.35 0.23 119.26 121.14 1pyg h ALA 140 Ca 0.07 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 1pyg h ALA 140 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1pyg h ALA 140 CO -0.01 0.41 -0.16 0.00 0.00 0.00 0.00 179.25 179.49 1pyg h ALA 141 N 1.41 0.72 0.00 0.00 0.00 -0.45 -1.65 119.26 119.29 1pyg h ALA 141 Ca 0.39 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1pyg h ALA 141 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1pyg h ALA 141 CO -0.15 0.67 -0.39 0.00 0.00 0.00 0.00 179.25 179.38 1pyg h PHE 143 N 0.00 1.05 -0.84 0.00 -1.00 -0.21 -2.09 116.94 113.85 1pyg h PHE 143 Ca -0.00 -0.31 0.03 0.00 2.81 0.00 0.00 57.97 60.49 1pyg h PHE 143 Cb 0.78 -0.22 -0.05 0.00 3.61 0.00 0.00 35.95 40.07 1pyg h PHE 143 CO 0.00 1.12 0.55 -0.07 -1.61 0.00 0.00 178.31 178.30 1pyg h LEU 144 N 0.72 0.92 -0.33 1.54 4.07 -1.00 0.13 115.31 121.36 1pyg h LEU 144 Ca 0.06 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 1pyg h LEU 144 Cb 0.96 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1pyg h LEU 144 CO 0.09 0.64 -0.17 -0.78 -1.08 0.00 0.00 178.44 177.14 1pyg h ASP 145 N 1.07 0.72 0.44 -0.43 1.82 -1.36 -2.82 116.42 115.86 1pyg h ASP 145 Ca 0.32 -0.41 -0.17 0.00 -0.39 0.00 0.00 57.03 56.39 1pyg h ASP 145 Cb -0.03 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 39.77 1pyg h ASP 145 CO -0.09 0.98 -0.71 0.28 -1.61 0.00 0.00 179.24 178.09 1pyg h SER 146 N 0.47 0.27 -0.47 2.28 0.02 -0.99 -0.93 113.55 114.20 1pyg h SER 146 Ca 0.07 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.81 1pyg h SER 146 Cb 0.71 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 1pyg h SER 146 CO 0.05 0.89 0.17 0.24 -1.14 0.00 0.00 176.83 177.04 1pyg h MET 147 N 0.15 0.71 -0.35 3.45 2.86 -0.74 0.20 114.93 121.22 1pyg h MET 147 Ca -0.02 -0.14 -0.06 0.00 -2.06 0.00 0.00 59.70 57.42 1pyg h MET 147 Cb 1.26 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1pyg h MET 147 CO 0.11 0.66 -0.03 0.00 1.06 0.00 0.00 176.91 178.71 1pyg h ALA 148 N 1.02 0.47 0.00 6.32 0.00 -1.46 -1.05 119.26 124.57 1pyg h ALA 148 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1pyg h ALA 148 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pyg h ALA 148 CO -0.01 0.27 -0.05 1.15 0.00 0.00 0.00 179.25 180.61 1pyg h THR 149 N 0.44 0.16 -0.59 0.00 2.02 -0.93 -1.14 112.91 112.87 1pyg h THR 149 Ca 0.10 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1pyg h THR 149 Cb 0.50 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1pyg h THR 149 CO 0.02 0.04 0.00 0.18 0.37 0.00 0.00 175.52 176.14 1pyg n LEU 150 N -3.21 4.65 -2.96 2.58 4.32 0.04 -4.68 117.00 117.74 1pyg n LEU 150 Ca -0.01 -2.35 -0.21 0.00 -0.02 0.00 0.00 56.01 53.43 1pyg n LEU 150 Cb 0.26 -0.58 0.01 0.00 -1.62 0.00 0.00 43.42 41.49 1pyg n LEU 150 CO 0.27 0.72 -0.07 0.61 -1.22 0.00 0.00 177.39 177.70 1pyg n GLY 151 N 0.97 -0.51 3.91 -0.72 0.00 -0.43 -0.93 105.19 107.49 1pyg n GLY 151 Ca 0.24 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 1pyg n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pyg s LEU 152 N -6.37 3.89 -1.09 0.99 1.43 -0.44 -4.70 118.68 112.39 1pyg s LEU 152 Ca 0.25 0.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.03 1pyg s LEU 152 Cb -0.12 -3.68 0.21 0.00 0.03 0.00 0.00 46.19 42.63 1pyg s LEU 152 CO 0.31 -0.35 1.20 0.00 0.23 0.00 0.00 176.35 177.73 1pyg s ALA 153 N -2.35 4.19 0.25 4.21 0.00 -1.26 -4.58 121.76 122.21 1pyg s ALA 153 Ca 0.46 -3.45 0.09 0.00 0.00 0.00 0.00 51.96 49.05 1pyg s ALA 153 Cb -0.10 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 1pyg s ALA 153 CO 0.35 -2.54 0.05 0.00 0.00 0.00 0.00 175.76 173.62 1pyg s ALA 154 N 0.57 3.29 0.01 0.00 0.00 -1.26 -0.92 121.76 123.45 1pyg s ALA 154 Ca 0.34 -1.54 0.02 0.00 0.00 0.00 0.00 51.96 50.78 1pyg s ALA 154 Cb -0.06 -0.96 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 1pyg s ALA 154 CO -0.05 0.29 -0.07 0.71 0.00 0.00 0.00 175.76 176.64 1pyg s TYR 155 N -2.18 0.65 -0.22 0.00 1.51 0.14 -3.81 117.35 113.44 1pyg s TYR 155 Ca 0.31 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.11 1pyg s TYR 155 Cb -0.07 -0.40 0.01 0.00 -0.11 0.00 0.00 41.96 41.39 1pyg s TYR 155 CO 0.21 -0.03 -0.09 0.20 -1.11 0.00 0.00 175.55 174.73 1pyg s GLY 156 N -0.66 1.56 -0.07 0.71 0.00 -0.71 0.17 107.32 108.31 1pyg s GLY 156 Ca -0.01 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.43 1pyg s GLY 156 CO 0.00 0.42 -0.12 -0.19 0.00 0.00 0.00 173.10 173.22 1pyg s TYR 157 N 1.37 2.80 0.00 1.90 1.51 -0.97 -0.92 117.35 123.03 1pyg s TYR 157 Ca 0.03 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1pyg s TYR 157 Cb -0.15 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.01 1pyg s TYR 157 CO -0.06 0.17 0.00 0.41 -1.11 0.00 0.00 175.55 174.95 1pyg n GLY 158 N 2.50 2.59 3.84 0.71 0.00 -0.65 -2.71 105.19 111.47 1pyg n GLY 158 Ca -0.18 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.70 1pyg n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pyg s ILE 159 N -2.88 5.27 -0.87 -0.61 1.01 -1.26 -0.47 121.20 121.38 1pyg s ILE 159 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.58 1pyg s ILE 159 Cb 0.00 -3.29 0.16 0.00 0.01 0.00 0.00 42.46 39.34 1pyg s ILE 159 CO 0.00 0.60 0.97 -0.60 0.00 0.00 0.00 174.94 175.91 1pyg s ARG 160 N -1.05 3.57 -0.06 2.79 3.52 -0.44 -4.66 118.95 122.61 1pyg s ARG 160 Ca 0.15 -1.99 -0.30 0.00 -0.13 0.00 0.00 55.73 53.46 1pyg s ARG 160 Cb -0.12 -4.69 -0.05 0.00 -1.56 0.00 0.00 34.95 28.52 1pyg s ARG 160 CO 0.04 -1.58 1.65 0.71 -0.81 0.00 0.00 175.30 175.32 1pyg s TYR 161 N 1.75 1.98 0.09 5.12 2.02 -1.26 -4.81 117.35 122.24 1pyg s TYR 161 Ca 0.26 0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 57.01 1pyg s TYR 161 Cb -0.08 -3.92 -0.08 0.00 -0.40 0.00 0.00 41.96 37.49 1pyg s TYR 161 CO -0.08 -3.79 1.46 1.49 -1.57 0.00 0.00 175.55 173.06 1pyg h GLU 162 N 9.63 0.60 -4.71 -0.62 4.81 -1.90 -3.36 114.58 119.03 1pyg h GLU 162 Ca -0.39 -0.26 -0.67 0.00 -0.13 0.00 0.00 59.36 57.91 1pyg h GLU 162 Cb 1.18 -0.02 -0.38 0.00 0.63 0.00 0.00 28.75 30.16 1pyg h GLU 162 CO 0.96 0.83 -0.71 -0.06 -0.73 0.00 0.00 179.01 179.30 1pyg s PHE 163 N -4.63 3.57 0.35 0.92 0.08 -1.26 -4.21 117.98 112.79 1pyg s PHE 163 Ca -0.13 -2.62 -0.06 0.00 0.12 0.00 0.00 56.93 54.24 1pyg s PHE 163 Cb 0.08 -2.66 0.09 0.00 -0.57 0.00 0.00 43.02 39.96 1pyg s PHE 163 CO 0.79 -0.92 0.25 0.41 -0.10 0.00 0.00 175.22 175.65 1pyg n GLY 164 N 4.39 -3.19 3.74 4.36 0.00 -1.19 -4.85 105.19 108.45 1pyg n GLY 164 Ca -0.03 -1.35 -0.40 0.00 0.00 0.00 0.00 46.02 44.24 1pyg n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pyg n ILE 165 N -3.43 2.67 -0.30 -0.61 3.06 -1.26 -4.02 119.36 115.47 1pyg n ILE 165 Ca 0.04 -0.50 -0.11 0.00 -2.50 0.00 0.00 62.75 59.68 1pyg n ILE 165 Cb 0.15 -1.75 0.01 0.00 0.54 0.00 0.00 39.64 38.59 1pyg n ILE 165 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1pyg n PHE 166 N -0.17 -1.44 -4.33 9.51 -1.74 -1.26 -4.53 117.46 113.50 1pyg n PHE 166 Ca 0.05 0.01 -0.35 0.00 -0.56 0.00 0.00 57.45 56.61 1pyg n PHE 166 Cb 0.41 -0.42 -0.10 0.00 1.52 0.00 0.00 39.48 40.88 1pyg n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1pyg s ASN 167 N -0.30 5.17 0.04 5.98 0.01 0.52 -4.72 114.94 121.64 1pyg s ASN 167 Ca 0.12 0.06 -0.19 0.00 -0.71 0.00 0.00 52.86 52.14 1pyg s ASN 167 Cb -0.04 -1.62 -0.06 0.00 0.41 0.00 0.00 41.25 39.94 1pyg s ASN 167 CO 0.24 0.30 0.55 -1.58 -1.51 0.00 0.00 177.10 175.10 1pyg s GLN 168 N -0.39 4.20 -0.03 -0.60 0.74 -1.26 -0.53 119.66 121.79 1pyg s GLN 168 Ca 0.07 0.68 0.01 0.00 0.05 0.00 0.00 55.36 56.17 1pyg s GLN 168 Cb -0.12 -3.27 0.02 0.00 1.10 0.00 0.00 33.01 30.74 1pyg s GLN 168 CO 0.02 0.56 -0.03 0.21 -0.55 0.00 0.00 175.29 175.50 1pyg s LYS 169 N -0.82 0.59 -0.25 1.67 2.47 -0.63 -4.23 119.74 118.54 1pyg s LYS 169 Ca 0.29 -0.06 -0.12 0.00 -1.56 0.00 0.00 55.97 54.52 1pyg s LYS 169 Cb -0.19 -0.65 -0.05 0.00 -1.46 0.00 0.00 37.83 35.49 1pyg s LYS 169 CO 0.17 -0.07 0.24 0.42 0.16 0.00 0.00 175.35 176.28 1pyg s ILE 170 N 0.78 5.29 -0.08 5.43 -1.09 -1.26 0.31 121.20 130.59 1pyg s ILE 170 Ca -0.09 0.33 0.01 0.00 -2.23 0.00 0.00 60.65 58.67 1pyg s ILE 170 Cb -0.12 -3.58 0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1pyg s ILE 170 CO -0.00 0.28 -0.10 0.00 -1.23 0.00 0.00 174.94 173.88 1pyg n GLY 172 N 4.24 -0.51 3.53 0.00 0.00 -1.26 -0.54 105.19 110.63 1pyg n GLY 172 Ca -0.19 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1pyg n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyg n GLY 173 N -1.30 0.55 3.91 -0.02 0.00 -1.26 -4.98 105.19 102.09 1pyg n GLY 173 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 1pyg n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pyg s TRP 174 N -2.47 3.36 0.19 1.61 0.52 0.29 -3.95 118.94 118.49 1pyg s TRP 174 Ca 0.00 -0.00 -0.29 0.00 0.02 0.00 0.00 56.10 55.83 1pyg s TRP 174 Cb 0.00 -1.55 -0.08 0.00 -1.15 0.00 0.00 33.47 30.69 1pyg s TRP 174 CO 0.00 0.48 0.91 -1.14 0.02 0.00 0.00 176.95 177.22 1pyg s GLN 175 N -3.67 4.75 0.08 4.98 0.74 -1.26 0.37 119.66 125.66 1pyg s GLN 175 Ca 0.34 1.40 0.09 0.00 0.05 0.00 0.00 55.36 57.23 1pyg s GLN 175 Cb -0.09 -3.30 -0.03 0.00 1.10 0.00 0.00 33.01 30.68 1pyg s GLN 175 CO 0.27 0.44 -0.23 -1.64 -0.55 0.00 0.00 175.29 173.59 1pyg s MET 176 N -0.84 1.39 -0.10 1.67 -1.94 0.15 -4.87 119.30 114.76 1pyg s MET 176 Ca 0.41 -1.13 -0.00 0.00 -1.71 0.00 0.00 55.69 53.26 1pyg s MET 176 Cb -0.25 -1.64 -0.03 0.00 2.01 0.00 0.00 34.83 34.92 1pyg s MET 176 CO 0.30 0.40 -0.06 -1.21 -0.01 0.00 0.00 175.02 174.44 1pyg s GLU 177 N -1.60 3.04 0.14 2.03 8.01 -1.26 -1.61 118.70 127.44 1pyg s GLU 177 Ca 0.09 -0.55 0.09 0.00 0.01 0.00 0.00 54.97 54.62 1pyg s GLU 177 Cb -0.10 -2.68 -0.04 0.00 -4.31 0.00 0.00 34.13 27.00 1pyg s GLU 177 CO 0.04 0.53 -0.22 -1.21 0.01 0.00 0.00 175.26 174.40 1pyg s GLU 178 N -0.43 1.28 0.20 1.61 2.02 0.32 -4.94 118.70 118.76 1pyg s GLU 178 Ca 0.06 -1.32 -0.31 0.00 0.02 0.00 0.00 54.97 53.42 1pyg s GLU 178 Cb -0.12 -1.56 -0.11 0.00 0.10 0.00 0.00 34.13 32.44 1pyg s GLU 178 CO 0.02 0.35 1.62 0.00 0.02 0.00 0.00 175.26 177.27 1pyg s ALA 179 N -1.41 3.83 -1.33 5.21 0.00 -1.26 -0.35 121.76 126.43 1pyg s ALA 179 Ca 0.12 1.48 -0.17 0.00 0.00 0.00 0.00 51.96 53.39 1pyg s ALA 179 Cb -0.09 -3.65 0.04 0.00 0.00 0.00 0.00 23.12 19.42 1pyg s ALA 179 CO 0.06 -0.86 1.96 -3.47 0.00 0.00 0.00 175.76 173.46 1pyg n ASP 180 N 3.62 4.28 -3.55 0.00 -0.08 -1.26 -4.56 116.55 115.00 1pyg n ASP 180 Ca 0.13 -2.86 -0.41 0.00 -1.51 0.00 0.00 54.79 50.14 1pyg n ASP 180 Cb 0.37 -1.68 -0.01 0.00 2.34 0.00 0.00 41.12 42.14 1pyg n ASP 180 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1pyg n ASP 181 N 7.72 6.99 0.22 1.67 2.03 -1.26 -3.20 116.55 130.72 1pyg n ASP 181 Ca 0.50 -2.92 0.09 0.00 0.52 0.00 0.00 54.79 52.99 1pyg n ASP 181 Cb 0.43 -1.49 0.42 0.00 -0.72 0.00 0.00 41.12 39.75 1pyg n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1pyg h TRP 182 N 5.18 0.00 -0.35 -0.67 5.08 -1.90 -2.81 115.95 120.48 1pyg h TRP 182 Ca 0.67 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.64 1pyg h TRP 182 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 1pyg h TRP 182 CO 1.60 0.24 0.00 1.28 -1.28 0.00 0.00 178.44 180.27 1pyg n LEU 183 N -3.36 3.39 -0.31 0.11 4.77 -1.26 -4.56 117.00 115.78 1pyg n LEU 183 Ca 0.00 -1.72 0.08 0.00 -0.03 0.00 0.00 56.01 54.35 1pyg n LEU 183 Cb 0.46 -0.53 0.25 0.00 -2.33 0.00 0.00 43.42 41.26 1pyg n LEU 183 CO 0.34 0.49 1.12 -0.09 -1.33 0.00 0.00 177.39 177.92 1pyg h ARG 184 N 2.35 0.63 -0.12 3.23 2.43 -1.86 0.15 114.38 121.18 1pyg h ARG 184 Ca 0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1pyg h ARG 184 Cb 1.17 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 1pyg h ARG 184 CO 0.22 0.42 -0.27 0.66 -1.51 0.00 0.00 179.97 179.49 1pyg n TYR 185 N -4.85 0.39 -1.05 2.20 4.01 -1.26 -5.09 117.16 111.51 1pyg n TYR 185 Ca 0.18 -1.42 0.14 0.00 -0.16 0.00 0.00 57.90 56.64 1pyg n TYR 185 Cb 0.47 -0.31 -0.04 0.00 -0.31 0.00 0.00 39.34 39.14 1pyg n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyg n GLY 186 N -1.13 -1.81 2.87 2.72 0.00 0.51 -4.92 105.19 103.43 1pyg n GLY 186 Ca 0.23 -1.26 -0.30 0.00 0.00 0.00 0.00 46.02 44.70 1pyg n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pyg s ASN 187 N -5.84 3.78 0.65 1.61 2.47 -1.26 -4.84 114.94 111.50 1pyg s ASN 187 Ca 0.00 -1.28 0.41 0.00 0.42 0.00 0.00 52.86 52.42 1pyg s ASN 187 Cb 0.00 -1.04 2.30 0.00 -1.45 0.00 0.00 41.25 41.06 1pyg s ASN 187 CO 0.00 -0.30 2.35 1.55 -3.72 0.00 0.00 177.10 176.98 1pyg h PRO 188 N 8.01 0.00 -0.00 0.43 0.13 -1.98 -3.09 132.00 135.50 1pyg h PRO 188 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1pyg h PRO 188 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pyg h PRO 188 CO 0.42 0.00 -0.02 0.91 -0.23 0.00 0.00 178.00 179.08 1pyg n TRP 189 N -3.25 0.00 -4.32 1.56 7.02 -1.26 -4.85 117.44 112.34 1pyg n TRP 189 Ca -0.03 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.17 1pyg n TRP 189 Cb 0.07 -0.38 -0.11 0.00 -2.42 0.00 0.00 31.31 28.48 1pyg n TRP 189 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 1pyg s GLU 190 N -2.77 1.83 -0.12 -0.99 -1.05 -1.17 -4.38 118.70 110.04 1pyg s GLU 190 Ca 0.21 -1.26 0.02 0.00 -0.15 0.00 0.00 54.97 53.79 1pyg s GLU 190 Cb 0.20 -2.08 0.01 0.00 -0.44 0.00 0.00 34.13 31.81 1pyg s GLU 190 CO 0.50 0.45 -0.20 0.21 0.95 0.00 0.00 175.26 177.18 1pyg s LYS 191 N -2.44 2.72 0.19 -4.83 2.47 0.42 -4.90 119.74 113.35 1pyg s LYS 191 Ca 0.21 -0.75 -0.27 0.00 -1.56 0.00 0.00 55.97 53.60 1pyg s LYS 191 Cb -0.10 -2.21 -0.08 0.00 -1.46 0.00 0.00 37.83 33.98 1pyg s LYS 191 CO 0.12 -0.01 0.84 0.00 0.16 0.00 0.00 175.35 176.46 1pyg s ALA 192 N 0.83 3.40 -0.73 3.13 0.00 -1.26 -0.32 121.76 126.81 1pyg s ALA 192 Ca -0.08 0.46 0.04 0.00 0.00 0.00 0.00 51.96 52.38 1pyg s ALA 192 Cb -0.16 -3.06 0.27 0.00 0.00 0.00 0.00 23.12 20.17 1pyg s ALA 192 CO -0.01 0.24 0.95 0.54 0.00 0.00 0.00 175.76 177.48 1pyg n ARG 193 N 1.66 3.10 -0.35 0.00 5.12 0.30 -4.91 116.66 121.57 1pyg n ARG 193 Ca -0.04 -4.68 0.07 0.00 -1.93 0.00 0.00 57.85 51.27 1pyg n ARG 193 Cb 0.48 -2.31 0.24 0.00 -1.16 0.00 0.00 32.46 29.71 1pyg n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1pyg h PRO 194 N 4.30 0.97 0.00 5.56 0.11 -1.96 0.07 132.00 141.05 1pyg h PRO 194 Ca 0.20 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1pyg h PRO 194 Cb 0.62 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.51 1pyg h PRO 194 CO 0.95 0.64 0.00 -0.85 -0.21 0.00 0.00 178.00 178.53 1pyg n GLU 195 N -4.59 0.07 -1.01 1.05 0.00 -1.26 -1.96 120.64 112.95 1pyg n GLU 195 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.38 1pyg n GLU 195 Cb 0.33 -1.39 0.06 0.00 0.00 0.00 0.00 31.44 30.45 1pyg n GLU 195 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1pyg n PHE 196 N -0.89 0.00 -1.94 -1.84 3.72 0.01 -5.07 117.46 111.46 1pyg n PHE 196 Ca 0.01 -0.63 -0.42 0.00 -0.05 0.00 0.00 57.45 56.37 1pyg n PHE 196 Cb 0.01 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 1pyg n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1pyg s THR 197 N -0.84 2.60 0.39 4.37 2.01 -0.83 -4.43 115.64 118.91 1pyg s THR 197 Ca 0.28 0.44 0.08 0.00 0.31 0.00 0.00 61.69 62.79 1pyg s THR 197 Cb 0.30 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1pyg s THR 197 CO -0.10 0.04 0.16 -0.76 -0.69 0.00 0.00 174.62 173.27 1pyg s LEU 198 N 0.89 3.15 0.03 4.42 1.43 -0.06 -4.91 118.68 123.63 1pyg s LEU 198 Ca 0.68 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1pyg s LEU 198 Cb -0.44 -1.53 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1pyg s LEU 198 CO 0.33 -0.45 -0.18 -2.16 0.23 0.00 0.00 176.35 174.12 1pyg s PRO 199 N -3.88 2.11 0.05 1.29 0.04 -1.26 -0.31 135.00 133.04 1pyg s PRO 199 Ca 0.40 -0.95 0.07 0.00 0.04 0.00 0.00 61.00 60.56 1pyg s PRO 199 Cb 0.01 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1pyg s PRO 199 CO 0.23 0.55 -0.18 0.08 0.04 0.00 0.00 177.00 177.72 1pyg s VAL 200 N -0.89 2.82 -0.10 -0.36 1.01 -0.01 -4.93 120.40 117.95 1pyg s VAL 200 Ca 0.14 -1.23 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1pyg s VAL 200 Cb -0.10 -2.21 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1pyg s VAL 200 CO 0.04 0.30 -0.18 -1.00 0.00 0.00 0.00 175.10 174.26 1pyg s HIS 201 N -0.97 2.68 0.19 5.22 3.76 -1.26 -1.12 115.29 123.79 1pyg s HIS 201 Ca 0.15 -0.67 0.08 0.00 -0.15 0.00 0.00 55.06 54.47 1pyg s HIS 201 Cb -0.11 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 1pyg s HIS 201 CO 0.06 -0.20 -0.15 -0.06 -0.85 0.00 0.00 174.74 173.54 1pyg s PHE 202 N 0.10 1.72 0.00 1.40 0.08 -0.02 -4.96 117.98 116.29 1pyg s PHE 202 Ca -0.08 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.43 1pyg s PHE 202 Cb -0.15 -0.82 0.00 0.00 -0.57 0.00 0.00 43.02 41.48 1pyg s PHE 202 CO 0.05 0.34 0.00 0.66 -0.10 0.00 0.00 175.22 176.17 1pyg n TYR 203 N -0.12 0.00 -1.52 0.36 4.01 -0.23 -0.71 117.16 118.95 1pyg n TYR 203 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1pyg n TYR 203 Cb 0.59 0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1pyg n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyg n GLY 204 N 0.00 -2.37 3.33 2.72 0.00 -1.20 -4.69 105.19 102.99 1pyg n GLY 204 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1pyg n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pyg s ARG 205 N -0.36 0.79 -0.52 1.61 1.70 0.30 -4.83 118.95 117.65 1pyg s ARG 205 Ca 0.00 -0.03 -0.17 0.00 -0.47 0.00 0.00 55.73 55.06 1pyg s ARG 205 Cb 0.00 0.36 0.08 0.00 -0.57 0.00 0.00 34.95 34.82 1pyg s ARG 205 CO 0.00 -0.23 0.55 0.08 -1.08 0.00 0.00 175.30 174.62 1pyg s VAL 206 N -1.25 5.03 0.11 4.99 1.01 -1.26 -0.35 120.40 128.68 1pyg s VAL 206 Ca -0.12 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1pyg s VAL 206 Cb -0.03 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1pyg s VAL 206 CO 0.06 -0.81 0.59 -1.83 0.00 0.00 0.00 175.10 173.11 1pyg s GLU 207 N 2.16 4.19 0.35 2.72 4.04 -0.04 -4.80 118.70 127.32 1pyg s GLU 207 Ca 0.09 0.73 -0.00 0.00 0.04 0.00 0.00 54.97 55.83 1pyg s GLU 207 Cb -0.24 -3.15 -0.03 0.00 0.02 0.00 0.00 34.13 30.73 1pyg s GLU 207 CO 0.08 0.58 0.56 -1.01 -1.84 0.00 0.00 175.26 173.63 1pyg s HIS 208 N -1.22 3.50 0.25 4.83 3.76 -1.26 -0.39 115.29 124.77 1pyg s HIS 208 Ca 0.32 0.39 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 1pyg s HIS 208 Cb -0.19 -1.93 -0.03 0.00 1.11 0.00 0.00 32.58 31.55 1pyg s HIS 208 CO 0.20 0.10 0.23 0.95 -0.85 0.00 0.00 174.74 175.37 1pyg s THR 209 N -2.33 0.00 0.53 1.30 -4.23 0.69 -4.93 115.64 106.68 1pyg s THR 209 Ca 0.41 -1.91 0.38 0.00 -1.18 0.00 0.00 61.69 59.38 1pyg s THR 209 Cb -0.10 -2.49 0.40 0.00 1.34 0.00 0.00 72.50 71.66 1pyg s THR 209 CO 0.36 0.00 2.25 0.28 -0.54 0.00 0.00 174.62 176.98 1pyg h SER 210 N 2.40 0.00 0.25 3.99 0.02 -2.03 -2.76 113.55 115.43 1pyg h SER 210 Ca -0.31 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.31 1pyg h SER 210 Cb 1.24 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 1pyg h SER 210 CO 0.45 0.02 -2.04 0.00 -1.14 0.00 0.00 176.83 174.13 1pyg n GLN 211 N -3.31 0.66 -3.35 3.45 3.00 -1.26 -5.10 117.38 111.48 1pyg n GLN 211 Ca -0.02 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 1pyg n GLN 211 Cb 0.13 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 28.71 1pyg n GLN 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pyg n GLY 212 N 1.67 -1.27 3.90 1.08 0.00 -1.04 -5.10 105.19 104.43 1pyg n GLY 212 Ca -0.25 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.50 1pyg n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg s ALA 213 N -1.00 3.91 -0.08 4.61 0.00 -1.26 -0.22 121.76 127.71 1pyg s ALA 213 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1pyg s ALA 213 Cb 0.00 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.17 1pyg s ALA 213 CO 0.00 0.72 -0.08 0.21 0.00 0.00 0.00 175.76 176.61 1pyg s LYS 214 N -2.14 1.37 -0.78 0.00 2.20 0.48 -4.95 119.74 115.92 1pyg s LYS 214 Ca 0.32 -0.24 -0.17 0.00 -0.36 0.00 0.00 55.97 55.51 1pyg s LYS 214 Cb -0.13 -1.34 0.16 0.00 -1.51 0.00 0.00 37.83 35.01 1pyg s LYS 214 CO 0.21 -0.14 0.85 -0.46 -0.36 0.00 0.00 175.35 175.44 1pyg s TRP 215 N 1.26 3.34 0.38 4.03 -0.00 -1.26 -0.86 118.94 125.83 1pyg s TRP 215 Ca -0.04 -1.50 0.07 0.00 -0.00 0.00 0.00 56.10 54.63 1pyg s TRP 215 Cb -0.14 -4.01 -0.00 0.00 -0.00 0.00 0.00 33.47 29.32 1pyg s TRP 215 CO -0.03 -1.22 0.51 0.14 -0.00 0.00 0.00 176.95 176.35 1pyg s VAL 216 N 1.66 3.44 -1.36 5.86 -7.23 0.52 -4.69 120.40 118.60 1pyg s VAL 216 Ca 0.20 -1.03 -0.05 0.00 -1.81 0.00 0.00 61.98 59.29 1pyg s VAL 216 Cb -0.13 -3.17 0.02 0.00 0.56 0.00 0.00 36.38 33.66 1pyg s VAL 216 CO -0.04 -0.07 0.86 0.47 -0.31 0.00 0.00 175.10 176.00 1pyg n ASP 217 N -1.73 -2.74 -4.90 4.85 9.92 -1.26 -0.54 116.55 120.15 1pyg n ASP 217 Ca 0.04 -0.76 -0.30 0.00 -0.53 0.00 0.00 54.79 53.24 1pyg n ASP 217 Cb 0.59 -4.22 -0.04 0.00 -0.64 0.00 0.00 41.12 36.81 1pyg n ASP 217 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1pyg s THR 218 N -3.50 5.09 0.08 -3.53 -4.23 -1.26 -3.24 115.64 105.05 1pyg s THR 218 Ca 0.24 0.07 -0.20 0.00 -1.18 0.00 0.00 61.69 60.62 1pyg s THR 218 Cb -0.12 -3.66 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 1pyg s THR 218 CO 0.80 -0.09 0.59 0.00 -0.54 0.00 0.00 174.62 175.37 1pyg s GLN 219 N -2.98 4.24 -0.15 3.99 -2.07 0.11 -4.90 119.66 117.90 1pyg s GLN 219 Ca 0.43 0.77 -0.04 0.00 -1.82 0.00 0.00 55.36 54.70 1pyg s GLN 219 Cb -0.11 -3.24 -0.03 0.00 -1.09 0.00 0.00 33.01 28.53 1pyg s GLN 219 CO 0.26 0.62 -0.02 0.08 -1.32 0.00 0.00 175.29 174.91 1pyg s VAL 220 N -1.07 4.11 -0.03 3.63 1.01 -1.26 -0.84 120.40 125.95 1pyg s VAL 220 Ca 0.30 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.01 1pyg s VAL 220 Cb -0.20 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1pyg s VAL 220 CO 0.20 0.50 -0.09 -0.69 0.00 0.00 0.00 175.10 175.02 1pyg s VAL 221 N 0.18 3.51 -0.09 2.92 1.01 -0.27 -4.50 120.40 123.16 1pyg s VAL 221 Ca -0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.18 1pyg s VAL 221 Cb -0.13 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1pyg s VAL 221 CO 0.02 0.51 0.29 -0.76 0.00 0.00 0.00 175.10 175.16 1pyg s LEU 222 N -1.06 4.38 -0.37 3.92 1.43 0.13 -0.83 118.68 126.27 1pyg s LEU 222 Ca 0.14 0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 53.84 1pyg s LEU 222 Cb -0.11 -2.37 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1pyg s LEU 222 CO 0.04 0.28 0.17 0.00 0.23 0.00 0.00 176.35 177.07 1pyg s ALA 223 N -0.56 3.16 -0.24 4.21 0.00 0.58 0.13 121.76 129.03 1pyg s ALA 223 Ca 0.19 -1.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.04 1pyg s ALA 223 Cb -0.14 -2.44 -0.03 0.00 0.00 0.00 0.00 23.12 20.51 1pyg s ALA 223 CO 0.08 -1.49 0.45 1.41 0.00 0.00 0.00 175.76 176.21 1pyg s MET 224 N 1.40 4.09 0.20 0.00 1.75 0.53 -0.88 119.30 126.39 1pyg s MET 224 Ca 0.01 0.22 -0.30 0.00 -1.25 0.00 0.00 55.69 54.37 1pyg s MET 224 Cb -0.21 -3.62 -0.08 0.00 2.84 0.00 0.00 34.83 33.76 1pyg s MET 224 CO 0.02 -0.24 1.03 -1.25 -0.65 0.00 0.00 175.02 173.94 1pyg s PRO 225 N 1.94 4.70 -0.01 4.11 0.04 -1.26 -1.27 135.00 143.24 1pyg s PRO 225 Ca 0.19 1.63 0.07 0.00 0.04 0.00 0.00 61.00 62.93 1pyg s PRO 225 Cb -0.15 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 1pyg s PRO 225 CO 0.09 0.25 -0.24 0.71 0.04 0.00 0.00 177.00 177.86 1pyg s TYR 226 N -0.66 2.40 0.01 0.56 1.51 -0.19 -0.54 117.35 120.44 1pyg s TYR 226 Ca 0.46 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 56.21 1pyg s TYR 226 Cb -0.28 -1.51 -0.03 0.00 -0.11 0.00 0.00 41.96 40.04 1pyg s TYR 226 CO 0.34 0.04 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.08 1pyg s ASP 227 N -0.75 3.39 -0.07 2.29 1.11 0.57 -1.89 116.67 121.31 1pyg s ASP 227 Ca 0.11 -0.45 -0.04 0.00 0.18 0.00 0.00 52.55 52.35 1pyg s ASP 227 Cb -0.10 -0.46 0.04 0.00 1.07 0.00 0.00 42.92 43.46 1pyg s ASP 227 CO -0.00 0.29 0.17 -0.89 1.18 0.00 0.00 175.17 175.93 1pyg s THR 228 N -0.75 -0.04 0.82 -1.27 2.01 -0.49 -0.44 115.64 115.48 1pyg s THR 228 Ca 0.12 0.14 -0.12 0.00 0.31 0.00 0.00 61.69 62.14 1pyg s THR 228 Cb -0.10 -0.28 0.08 0.00 0.01 0.00 0.00 72.50 72.21 1pyg s THR 228 CO 0.01 0.06 1.12 -2.84 -0.69 0.00 0.00 174.62 172.29 1pyg s PRO 229 N 1.01 1.93 -0.10 4.92 0.02 -1.26 -1.09 135.00 140.43 1pyg s PRO 229 Ca -0.08 0.40 -0.03 0.00 0.02 0.00 0.00 61.00 61.31 1pyg s PRO 229 Cb -0.09 -1.92 0.04 0.00 0.02 0.00 0.00 34.50 32.55 1pyg s PRO 229 CO -0.06 -1.68 0.07 0.14 -0.33 0.00 0.00 177.00 175.15 1pyg s VAL 230 N -3.31 -0.07 0.13 3.83 -7.23 0.44 -4.72 120.40 109.47 1pyg s VAL 230 Ca 0.61 0.15 -0.31 0.00 -1.81 0.00 0.00 61.98 60.62 1pyg s VAL 230 Cb -0.13 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.37 1pyg s VAL 230 CO 0.52 -0.02 1.28 -2.16 -0.31 0.00 0.00 175.10 174.41 1pyg s PRO 231 N 2.14 4.40 0.65 4.82 0.04 -1.26 -1.05 135.00 144.74 1pyg s PRO 231 Ca 0.04 1.94 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 1pyg s PRO 231 Cb -0.14 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.12 1pyg s PRO 231 CO -0.06 -0.28 1.05 0.20 0.04 0.00 0.00 177.00 177.95 1pyg s GLY 232 N 0.77 1.77 -0.51 0.56 0.00 0.07 -4.75 107.32 105.23 1pyg s GLY 232 Ca 0.59 0.10 -0.27 0.00 0.00 0.00 0.00 44.72 45.15 1pyg s GLY 232 CO 0.32 0.40 1.04 -0.47 0.00 0.00 0.00 173.10 174.40 1pyg s TYR 233 N -2.95 2.79 -0.75 1.90 5.04 -1.26 -4.10 117.35 118.03 1pyg s TYR 233 Ca 0.58 0.38 0.00 0.00 -2.44 0.00 0.00 57.07 55.59 1pyg s TYR 233 Cb -0.13 -4.23 0.00 0.00 0.35 0.00 0.00 41.96 37.95 1pyg s TYR 233 CO 0.50 -1.31 0.00 0.54 -1.34 0.00 0.00 175.55 173.94 1pyg n ARG 234 N 7.69 -1.61 -0.17 4.97 1.74 -0.51 -4.79 116.66 123.99 1pyg n ARG 234 Ca 0.07 0.56 0.11 0.00 -0.77 0.00 0.00 57.85 57.82 1pyg n ARG 234 Cb 0.49 -4.57 0.27 0.00 -1.02 0.00 0.00 32.46 27.63 1pyg n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1pyg n ASN 235 N -0.02 2.70 -1.22 0.55 6.94 -1.26 -4.92 115.26 118.03 1pyg n ASN 235 Ca -0.07 -1.90 -0.15 0.00 -0.02 0.00 0.00 54.58 52.44 1pyg n ASN 235 Cb 0.37 -0.22 -0.06 0.00 -2.36 0.00 0.00 39.78 37.52 1pyg n ASN 235 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1pyg n ASN 236 N 0.99 -4.79 -4.61 0.53 3.02 -1.26 -0.30 115.26 108.84 1pyg n ASN 236 Ca 0.18 0.33 -0.36 0.00 -0.03 0.00 0.00 54.58 54.70 1pyg n ASN 236 Cb 0.48 -3.66 -0.10 0.00 -0.61 0.00 0.00 39.78 35.88 1pyg n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1pyg s VAL 237 N -2.58 5.08 -0.17 2.41 1.01 -1.26 -4.70 120.40 120.18 1pyg s VAL 237 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.06 1pyg s VAL 237 Cb 0.00 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1pyg s VAL 237 CO 0.00 0.35 -0.09 -0.69 0.00 0.00 0.00 175.10 174.67 1pyg s VAL 238 N 1.13 1.37 0.35 2.92 1.01 -1.26 -0.75 120.40 125.16 1pyg s VAL 238 Ca 0.06 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1pyg s VAL 238 Cb -0.14 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.86 1pyg s VAL 238 CO 0.05 0.23 0.48 0.59 0.00 0.00 0.00 175.10 176.45 1pyg n ASN 239 N 4.80 0.93 -4.22 3.32 3.02 -0.21 -4.57 115.26 118.32 1pyg n ASN 239 Ca -0.14 -1.72 -0.31 0.00 -0.03 0.00 0.00 54.58 52.39 1pyg n ASN 239 Cb 0.48 -0.28 -0.17 0.00 -0.61 0.00 0.00 39.78 39.20 1pyg n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1pyg s THR 240 N -1.21 1.92 -0.14 3.41 2.01 -1.25 -0.42 115.64 119.96 1pyg s THR 240 Ca 0.34 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 61.35 1pyg s THR 240 Cb -0.02 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.82 1pyg s THR 240 CO 0.22 0.53 -0.09 -0.32 -0.69 0.00 0.00 174.62 174.28 1pyg s MET 241 N 0.06 3.51 -0.11 4.92 1.75 -0.25 -1.74 119.30 127.44 1pyg s MET 241 Ca -0.09 -0.61 -0.00 0.00 -1.25 0.00 0.00 55.69 53.74 1pyg s MET 241 Cb -0.15 -2.76 0.02 0.00 2.84 0.00 0.00 34.83 34.78 1pyg s MET 241 CO 0.05 0.21 -0.08 0.50 -0.65 0.00 0.00 175.02 175.06 1pyg s ARG 242 N 0.39 1.52 -0.06 4.11 6.06 -0.10 -1.40 118.95 129.47 1pyg s ARG 242 Ca -0.08 -0.26 0.04 0.00 -2.50 0.00 0.00 55.73 52.94 1pyg s ARG 242 Cb -0.15 -1.56 -0.00 0.00 0.06 0.00 0.00 34.95 33.30 1pyg s ARG 242 CO 0.04 -0.25 -0.20 -0.51 -2.50 0.00 0.00 175.30 171.89 1pyg s LEU 243 N 1.63 1.95 -0.13 -0.88 1.43 -0.79 -1.63 118.68 120.25 1pyg s LEU 243 Ca 0.03 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.58 1pyg s LEU 243 Cb -0.13 -1.15 -0.05 0.00 0.03 0.00 0.00 46.19 44.90 1pyg s LEU 243 CO -0.07 0.16 0.26 0.26 0.23 0.00 0.00 176.35 177.19 1pyg s TRP 244 N 0.16 3.53 -0.12 0.29 0.52 0.38 -1.03 118.94 122.67 1pyg s TRP 244 Ca -0.09 0.62 -0.01 0.00 0.02 0.00 0.00 56.10 56.64 1pyg s TRP 244 Cb -0.14 -2.23 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 1pyg s TRP 244 CO 0.04 0.41 -0.09 -1.12 0.02 0.00 0.00 176.95 176.22 1pyg s SER 245 N -0.11 4.41 0.04 2.95 0.01 -0.40 -1.33 113.70 119.28 1pyg s SER 245 Ca 0.16 -0.19 -0.29 0.00 1.31 0.00 0.00 55.95 56.95 1pyg s SER 245 Cb -0.13 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.54 1pyg s SER 245 CO 0.05 0.22 0.92 0.00 0.41 0.00 0.00 173.24 174.84 1pyg s ALA 246 N 0.03 3.23 0.01 1.44 0.00 0.56 -0.35 121.76 126.68 1pyg s ALA 246 Ca -0.02 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.43 1pyg s ALA 246 Cb -0.14 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.73 1pyg s ALA 246 CO 0.03 -0.11 -0.04 0.15 0.00 0.00 0.00 175.76 175.79 1pyg s LYS 247 N 0.49 0.34 0.21 0.00 1.02 0.12 -4.65 119.74 117.27 1pyg s LYS 247 Ca 0.47 -0.32 -0.30 0.00 0.02 0.00 0.00 55.97 55.85 1pyg s LYS 247 Cb -0.21 -0.24 -0.08 0.00 -0.52 0.00 0.00 37.83 36.77 1pyg s LYS 247 CO 0.27 0.06 1.12 0.00 -0.92 0.00 0.00 175.35 175.88 1pyg s ALA 248 N -0.51 3.39 0.30 5.17 0.00 -1.26 -0.70 121.76 128.16 1pyg s ALA 248 Ca -0.03 0.86 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1pyg s ALA 248 Cb -0.04 -3.36 0.48 0.00 0.00 0.00 0.00 23.12 20.20 1pyg s ALA 248 CO -0.00 -0.23 1.83 -1.35 0.00 0.00 0.00 175.76 176.01 1pyg h PRO 249 N 4.79 0.66 0.00 0.00 0.11 -1.95 -3.45 132.00 132.15 1pyg h PRO 249 Ca -0.45 -0.15 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1pyg h PRO 249 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1pyg h PRO 249 CO 0.71 0.66 0.00 1.04 -0.21 0.00 0.00 178.00 180.21 1pyg n GLN 264 N -4.26 0.00 0.22 1.05 3.00 -1.26 -5.13 117.38 111.00 1pyg n GLN 264 Ca 0.02 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.10 1pyg n GLN 264 Cb 0.26 0.00 0.46 0.00 0.00 0.00 0.00 30.24 30.96 1pyg n GLN 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pyg h ALA 265 N 0.00 1.09 -0.60 -1.58 0.00 -2.05 -2.85 119.26 113.27 1pyg h ALA 265 Ca 0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.77 1pyg h ALA 265 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1pyg h ALA 265 CO 0.00 0.34 0.15 0.28 0.00 0.00 0.00 179.25 180.02 1pyg h VAL 266 N 0.00 0.67 -0.11 0.00 2.07 -2.05 0.92 116.25 117.75 1pyg h VAL 266 Ca -0.00 -0.10 -0.09 0.00 0.82 0.00 0.00 66.70 67.33 1pyg h VAL 266 Cb 0.71 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1pyg h VAL 266 CO 0.04 0.05 -0.27 0.25 0.02 0.00 0.00 177.57 177.66 1pyg h LEU 267 N 0.29 0.42 -0.92 2.57 7.12 -1.95 -1.61 115.31 121.22 1pyg h LEU 267 Ca 0.31 -0.58 -0.02 0.00 0.13 0.00 0.00 57.88 57.72 1pyg h LEU 267 Cb 0.45 -0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.41 1pyg h LEU 267 CO -0.38 0.93 0.47 0.44 -0.13 0.00 0.00 178.44 179.77 1pyg h ASP 268 N -0.07 1.11 -0.24 1.25 5.19 -1.39 -1.51 116.42 120.76 1pyg h ASP 268 Ca -0.00 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1pyg h ASP 268 Cb 0.87 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.09 1pyg h ASP 268 CO 0.06 0.89 0.15 -0.09 -3.12 0.00 0.00 179.24 177.13 1pyg h ARG 269 N 1.23 0.32 -0.15 3.56 2.43 -0.64 -0.55 114.38 120.58 1pyg h ARG 269 Ca 0.31 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1pyg h ARG 269 Cb 0.04 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1pyg h ARG 269 CO -0.05 0.24 0.09 -0.97 -1.51 0.00 0.00 179.97 177.77 1pyg h ASN 270 N 0.31 0.17 -0.91 -3.80 -0.00 -1.05 -0.78 115.58 109.52 1pyg h ASN 270 Ca 0.09 -0.02 0.14 0.00 -0.00 0.00 0.00 56.30 56.50 1pyg h ASN 270 Cb -0.01 -0.04 -0.07 0.00 -0.00 0.00 0.00 38.32 38.20 1pyg h ASN 270 CO -0.02 0.15 0.58 -0.07 -0.00 0.00 0.00 177.43 178.07 1pyg h LEU 271 N 0.18 0.71 0.21 0.34 3.38 -1.05 0.42 115.31 119.50 1pyg h LEU 271 Ca 0.05 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1pyg h LEU 271 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1pyg h LEU 271 CO -0.01 0.36 -0.10 0.00 0.09 0.00 0.00 178.44 178.78 1pyg h ALA 272 N 1.59 -0.28 0.00 1.53 0.00 -0.61 -3.02 119.26 118.47 1pyg h ALA 272 Ca 0.46 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 1pyg h ALA 272 Cb 0.67 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1pyg h ALA 272 CO -0.22 -0.58 -0.29 0.93 0.00 0.00 0.00 179.25 179.09 1pyg h GLU 273 N -0.44 0.00 -0.28 0.00 4.39 -0.12 -3.03 114.58 115.10 1pyg h GLU 273 Ca -0.03 0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.75 1pyg h GLU 273 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1pyg h GLU 273 CO 0.05 0.29 0.54 -0.91 -1.16 0.00 0.00 179.01 177.82 1pyg h ASN 274 N 0.00 0.00 0.29 1.42 -0.26 -0.82 0.07 115.58 116.28 1pyg h ASN 274 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1pyg h ASN 274 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1pyg h ASN 274 CO 0.04 0.00 0.00 0.40 -1.06 0.00 0.00 177.43 176.81 1pyg h ILE 275 N 0.00 0.00 0.00 2.81 2.04 -1.70 -3.52 117.51 117.14 1pyg h ILE 275 Ca 0.13 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1pyg h ILE 275 Cb 1.22 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1pyg h ILE 275 CO -0.00 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 176.95 1pyg n SER 276 N -2.42 0.00 0.00 1.72 7.64 0.01 -4.89 113.62 115.68 1pyg n SER 276 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1pyg n SER 276 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1pyg n SER 276 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1pyg n LYS 289 N 0.00 0.00 -0.07 1.43 2.85 -1.26 -0.33 118.16 120.78 1pyg n LYS 289 Ca 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.27 1pyg n LYS 289 Cb 0.00 0.00 0.32 0.00 -0.65 0.00 0.00 35.03 34.70 1pyg n LYS 289 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1pyg h GLU 290 N 0.00 0.69 -0.01 -1.58 4.81 -2.04 -2.29 114.58 114.17 1pyg h GLU 290 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1pyg h GLU 290 Cb 0.00 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.24 1pyg h GLU 290 CO 0.00 0.53 0.01 -0.07 -0.73 0.00 0.00 179.01 178.74 1pyg h LEU 291 N 0.70 0.00 0.04 1.64 4.07 -2.01 -0.38 115.31 119.38 1pyg h LEU 291 Ca 0.18 0.00 -0.23 0.00 0.08 0.00 0.00 57.88 57.91 1pyg h LEU 291 Cb 0.05 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1pyg h LEU 291 CO -0.03 0.00 -1.08 -0.09 -1.08 0.00 0.00 178.44 176.16 1pyg h ARG 292 N 0.00 0.09 -0.15 1.13 1.12 -1.85 -1.92 114.38 112.79 1pyg h ARG 292 Ca 0.00 -0.15 -0.13 0.00 -1.11 0.00 0.00 59.98 58.60 1pyg h ARG 292 Cb 0.01 0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 1pyg h ARG 292 CO -0.00 1.07 -0.47 1.25 -3.11 0.00 0.00 179.97 178.71 1pyg h LEU 293 N 0.02 0.40 0.69 3.80 5.85 -1.17 -1.63 115.31 123.29 1pyg h LEU 293 Ca -0.05 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1pyg h LEU 293 Cb 1.84 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.75 1pyg h LEU 293 CO 0.15 0.81 -0.42 0.11 -0.34 0.00 0.00 178.44 178.76 1pyg h LYS 294 N 0.30 -1.01 -0.01 1.25 1.57 -0.98 -1.34 116.57 116.35 1pyg h LYS 294 Ca 0.02 0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1pyg h LYS 294 Cb 0.94 0.23 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1pyg h LYS 294 CO 0.08 -0.67 -0.20 -0.56 -0.57 0.00 0.00 179.45 177.53 1pyg h GLN 295 N -1.04 0.02 -0.48 3.15 3.07 -1.28 0.91 115.11 119.46 1pyg h GLN 295 Ca -0.09 -0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.66 1pyg h GLN 295 Cb 0.84 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.37 1pyg h GLN 295 CO 0.10 0.22 0.29 0.93 0.09 0.00 0.00 178.83 180.46 1pyg h GLU 296 N 0.02 0.57 -0.15 0.06 5.08 -1.09 -2.39 114.58 116.68 1pyg h GLU 296 Ca 0.00 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.16 1pyg h GLU 296 Cb 0.37 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1pyg h GLU 296 CO 0.03 0.38 -0.62 -0.92 -1.00 0.00 0.00 179.01 176.88 1pyg h TYR 297 N 0.59 0.67 0.34 4.33 3.20 0.00 -3.17 116.97 122.94 1pyg h TYR 297 Ca 0.19 -0.26 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1pyg h TYR 297 Cb -0.01 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 1pyg h TYR 297 CO -0.06 1.00 -0.31 0.35 -1.64 0.00 0.00 178.16 177.50 1pyg h PHE 298 N 0.39 -0.86 -0.74 -3.82 3.57 -0.77 -0.27 116.94 114.44 1pyg h PHE 298 Ca -0.01 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1pyg h PHE 298 Cb 1.17 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 40.19 1pyg h PHE 298 CO 0.05 -0.42 0.49 -0.24 -2.23 0.00 0.00 178.31 175.95 1pyg h VAL 299 N -0.64 0.97 0.71 1.41 3.04 -1.54 -2.53 116.25 117.68 1pyg h VAL 299 Ca -0.04 -0.24 -0.03 0.00 -1.01 0.00 0.00 66.70 65.37 1pyg h VAL 299 Cb 0.55 0.21 0.01 0.00 -2.01 0.00 0.00 31.29 30.05 1pyg h VAL 299 CO -0.02 0.13 -0.34 0.58 -1.01 0.00 0.00 177.57 176.90 1pyg h VAL 300 N 0.69 0.06 -0.63 1.51 2.07 -1.49 -1.91 116.25 116.55 1pyg h VAL 300 Ca 0.33 -0.28 0.09 0.00 0.82 0.00 0.00 66.70 67.66 1pyg h VAL 300 Cb 0.39 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 1pyg h VAL 300 CO -0.12 0.01 0.28 0.00 0.02 0.00 0.00 177.57 177.76 1pyg h ALA 301 N -1.17 0.84 0.14 1.67 0.00 -0.87 0.64 119.26 120.50 1pyg h ALA 301 Ca -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1pyg h ALA 301 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1pyg h ALA 301 CO 0.16 -0.13 -0.07 0.00 0.00 0.00 0.00 179.25 179.22 1pyg h ALA 302 N 1.40 -0.18 -0.61 0.00 0.00 -1.57 -2.76 119.26 115.54 1pyg h ALA 302 Ca 0.31 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1pyg h ALA 302 Cb 0.34 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 1pyg h ALA 302 CO -0.27 -0.35 0.31 1.15 0.00 0.00 0.00 179.25 180.09 1pyg h THR 303 N -0.68 0.94 0.00 0.00 2.02 -0.82 -2.14 112.91 112.22 1pyg h THR 303 Ca -0.02 -0.20 -0.07 0.00 0.77 0.00 0.00 66.41 66.89 1pyg h THR 303 Cb 0.51 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1pyg h THR 303 CO 0.03 0.11 -0.33 -0.07 0.37 0.00 0.00 175.52 175.63 1pyg h LEU 304 N 0.59 0.00 -0.70 2.58 3.38 -0.95 -0.39 115.31 119.81 1pyg h LEU 304 Ca 0.28 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1pyg h LEU 304 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1pyg h LEU 304 CO -0.19 0.33 0.17 1.56 0.09 0.00 0.00 178.44 180.40 1pyg h GLN 305 N 0.00 1.13 -0.53 1.13 4.20 -1.08 -1.55 115.11 118.41 1pyg h GLN 305 Ca -0.00 -0.27 -0.06 0.00 0.06 0.00 0.00 58.65 58.37 1pyg h GLN 305 Cb 0.61 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1pyg h GLN 305 CO 0.04 1.00 0.09 -0.44 -0.67 0.00 0.00 178.83 178.85 1pyg h ASP 306 N 1.07 0.83 -0.27 1.46 3.32 -0.86 -0.64 116.42 121.34 1pyg h ASP 306 Ca 0.22 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1pyg h ASP 306 Cb 0.38 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1pyg h ASP 306 CO 0.00 0.88 0.12 0.40 -1.72 0.00 0.00 179.24 178.93 1pyg h ILE 307 N 0.75 0.98 -0.06 0.35 2.04 -0.93 -1.01 117.51 119.63 1pyg h ILE 307 Ca 0.16 -0.09 -0.17 0.00 1.00 0.00 0.00 64.86 65.76 1pyg h ILE 307 Cb 0.40 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1pyg h ILE 307 CO 0.01 0.05 -0.72 0.40 0.00 0.00 0.00 178.15 177.88 1pyg h ILE 308 N 0.26 1.41 -0.37 -0.67 2.04 -1.26 -2.20 117.51 116.72 1pyg h ILE 308 Ca 0.11 -2.20 0.04 0.00 1.00 0.00 0.00 64.86 63.81 1pyg h ILE 308 Cb 0.05 2.16 -0.04 0.00 -0.74 0.00 0.00 36.82 38.25 1pyg h ILE 308 CO -0.09 0.65 0.14 -0.09 0.00 0.00 0.00 178.15 178.77 1pyg h ARG 309 N 0.20 0.29 0.00 2.37 1.12 -0.65 -1.72 114.38 115.99 1pyg h ARG 309 Ca -0.03 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.74 1pyg h ARG 309 Cb 1.29 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.17 1pyg h ARG 309 CO 0.12 0.19 -0.41 -0.09 -3.11 0.00 0.00 179.97 176.67 1pyg h ARG 310 N 0.30 0.00 0.68 0.20 2.43 -1.23 -2.71 114.38 114.06 1pyg h ARG 310 Ca 0.17 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 1pyg h ARG 310 Cb 0.14 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1pyg h ARG 310 CO -0.16 0.41 -0.33 0.35 -1.51 0.00 0.00 179.97 178.73 1pyg h PHE 311 N 0.00 -0.85 -0.28 2.20 3.57 -0.70 -3.20 116.94 117.68 1pyg h PHE 311 Ca -0.00 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 1pyg h PHE 311 Cb 1.16 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 1pyg h PHE 311 CO 0.00 -0.50 -0.02 0.87 -2.23 0.00 0.00 178.31 176.43 1pyg h LYS 312 N -1.14 0.43 -2.66 1.11 1.57 -1.42 -3.18 116.57 111.27 1pyg h LYS 312 Ca -0.09 -0.09 -0.80 0.00 -1.87 0.00 0.00 60.65 57.79 1pyg h LYS 312 Cb 0.73 -0.06 -0.28 0.00 0.08 0.00 0.00 32.23 32.70 1pyg h LYS 312 CO 0.15 0.48 0.84 0.43 -0.57 0.00 0.00 179.45 180.78 1pyg n SER 313 N -4.29 6.71 0.27 0.86 7.64 -1.02 -0.42 113.62 123.36 1pyg n SER 313 Ca 0.01 -3.52 0.15 0.00 1.01 0.00 0.00 58.87 56.52 1pyg n SER 313 Cb 0.24 -1.22 0.70 0.00 -1.01 0.00 0.00 64.21 62.92 1pyg n SER 313 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1pyg h SER 314 N 4.95 0.00 -2.99 6.43 4.64 -1.64 -3.46 113.55 121.48 1pyg h SER 314 Ca 0.32 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.10 1pyg h SER 314 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1pyg h SER 314 CO 1.27 0.08 -0.28 -0.75 -0.87 0.00 0.00 176.83 176.28 1pyg s LYS 315 N -3.83 3.57 0.22 4.77 2.20 -1.26 -4.90 119.74 120.50 1pyg s LYS 315 Ca -0.01 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 1pyg s LYS 315 Cb 0.11 -2.79 -0.09 0.00 -1.51 0.00 0.00 37.83 33.55 1pyg s LYS 315 CO 0.56 0.36 1.28 0.12 -0.36 0.00 0.00 175.35 177.32 1pyg s PHE 316 N -1.89 3.27 0.00 4.03 5.36 -1.26 -3.06 117.98 124.44 1pyg s PHE 316 Ca 0.40 1.29 0.00 0.00 -0.96 0.00 0.00 56.93 57.67 1pyg s PHE 316 Cb -0.11 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 39.00 1pyg s PHE 316 CO 0.28 -1.72 0.00 0.41 -1.46 0.00 0.00 175.22 172.73 1pyg n GLY 317 N 2.10 1.49 3.62 13.12 0.00 -1.26 -4.93 105.19 119.32 1pyg n GLY 317 Ca 0.05 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1pyg n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg n ARG 319 N 8.00 0.97 -2.90 0.00 1.74 -1.26 -4.33 116.66 118.88 1pyg n ARG 319 Ca 0.21 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.96 1pyg n ARG 319 Cb 0.45 -1.40 -0.07 0.00 -1.02 0.00 0.00 32.46 30.43 1pyg n ARG 319 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pyg s ASP 320 N -1.80 6.87 0.23 0.55 1.11 -1.26 -4.93 116.67 117.44 1pyg s ASP 320 Ca 0.37 1.55 -0.30 0.00 0.18 0.00 0.00 52.55 54.35 1pyg s ASP 320 Cb 0.17 -2.48 -0.15 0.00 1.07 0.00 0.00 42.92 41.53 1pyg s ASP 320 CO 0.29 -0.32 1.03 -2.65 1.18 0.00 0.00 175.17 174.69 1pyg n PRO 321 N -0.60 1.15 0.00 8.23 -0.02 -1.26 -4.31 135.00 138.19 1pyg n PRO 321 Ca 0.06 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1pyg n PRO 321 Cb 0.54 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1pyg n PRO 321 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1pyg n VAL 322 N 0.74 0.00 -2.82 -1.45 0.31 0.14 -4.92 118.33 110.33 1pyg n VAL 322 Ca 0.13 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.15 1pyg n VAL 322 Cb 0.28 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 1pyg n VAL 322 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1pyg s ARG 323 N -1.83 3.79 0.00 5.55 0.52 0.43 -4.96 118.95 122.45 1pyg s ARG 323 Ca 0.00 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.71 1pyg s ARG 323 Cb 0.00 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 33.10 1pyg s ARG 323 CO 0.00 -0.06 0.00 -2.37 0.02 0.00 0.00 175.30 172.89 1pyg n THR 324 N -1.33 0.00 -2.08 0.02 5.66 -1.26 -4.57 114.28 110.72 1pyg n THR 324 Ca 0.03 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.61 1pyg n THR 324 Cb 0.54 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.29 1pyg n THR 324 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1pyg s ASN 325 N -0.77 5.78 0.00 1.09 2.47 -1.26 -4.85 114.94 117.39 1pyg s ASN 325 Ca 0.00 0.89 0.00 0.00 0.42 0.00 0.00 52.86 54.17 1pyg s ASN 325 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 1pyg s ASN 325 CO 0.00 -1.87 0.23 0.49 -3.72 0.00 0.00 177.10 172.23 1pyg n PHE 326 N 10.77 0.00 -0.17 0.43 3.72 -1.26 -3.70 117.46 127.25 1pyg n PHE 326 Ca 0.21 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.52 1pyg n PHE 326 Cb 0.49 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.03 1pyg n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1pyg h ASP 327 N 0.06 0.69 0.00 4.37 5.19 -2.00 -2.39 116.42 122.33 1pyg h ASP 327 Ca 0.00 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1pyg h ASP 327 Cb 0.01 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1pyg h ASP 327 CO 0.00 0.68 0.00 0.00 -3.12 0.00 0.00 179.24 176.80 1pyg n ALA 328 N -2.34 2.47 -0.35 3.45 0.00 -1.24 -4.13 120.51 118.36 1pyg n ALA 328 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.32 1pyg n ALA 328 Cb 0.17 -1.29 0.11 0.00 0.00 0.00 0.00 19.45 18.44 1pyg n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1pyg h PHE 329 N 0.00 1.18 0.00 0.00 3.57 -1.68 0.37 116.94 120.38 1pyg h PHE 329 Ca 0.00 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1pyg h PHE 329 Cb 0.00 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.34 1pyg h PHE 329 CO 0.00 0.72 -0.16 -1.35 -2.23 0.00 0.00 178.31 175.28 1pyg h PRO 330 N 1.25 0.00 0.00 6.41 0.11 -1.80 -0.12 132.00 137.84 1pyg h PRO 330 Ca 0.36 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.44 1pyg h PRO 330 Cb -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 1pyg h PRO 330 CO -0.09 0.16 -0.15 -0.44 -0.21 0.00 0.00 178.00 177.27 1pyg h ASP 331 N 0.00 0.00 -0.00 -2.05 3.32 -0.59 -3.33 116.42 113.77 1pyg h ASP 331 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pyg h ASP 331 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1pyg h ASP 331 CO 0.02 0.15 -0.34 0.29 -1.72 0.00 0.00 179.24 177.64 1pyg n LYS 332 N -3.18 4.14 -4.55 3.56 4.76 -0.24 -4.58 118.16 118.06 1pyg n LYS 332 Ca 0.02 -0.07 -0.24 0.00 -2.87 0.00 0.00 58.31 55.15 1pyg n LYS 332 Cb 0.51 -0.89 -0.16 0.00 -1.84 0.00 0.00 35.03 32.65 1pyg n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pyg s VAL 333 N -1.67 1.08 -0.10 -0.18 1.01 -0.11 -0.70 120.40 119.74 1pyg s VAL 333 Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1pyg s VAL 333 Cb 0.06 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1pyg s VAL 333 CO 0.31 0.34 -0.16 0.00 0.00 0.00 0.00 175.10 175.58 1pyg s ALA 334 N 0.65 2.51 -0.31 5.51 0.00 0.21 -4.67 121.76 125.66 1pyg s ALA 334 Ca -0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.85 1pyg s ALA 334 Cb -0.15 -1.03 0.05 0.00 0.00 0.00 0.00 23.12 21.98 1pyg s ALA 334 CO 0.03 0.34 0.03 0.42 0.00 0.00 0.00 175.76 176.58 1pyg s ILE 335 N 0.06 3.18 -0.39 0.00 1.01 -1.20 -0.86 121.20 123.01 1pyg s ILE 335 Ca -0.06 -1.33 -0.20 0.00 0.00 0.00 0.00 60.65 59.06 1pyg s ILE 335 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 42.46 39.51 1pyg s ILE 335 CO 0.05 -0.13 0.61 -1.58 0.00 0.00 0.00 174.94 173.89 1pyg s GLN 336 N 1.29 3.49 -0.47 2.79 2.00 -0.39 -2.46 119.66 125.91 1pyg s GLN 336 Ca -0.04 -0.19 -0.29 0.00 -2.00 0.00 0.00 55.36 52.84 1pyg s GLN 336 Cb -0.20 -3.87 0.02 0.00 0.80 0.00 0.00 33.01 29.76 1pyg s GLN 336 CO -0.00 -0.83 1.29 -0.51 -0.50 0.00 0.00 175.29 174.74 1pyg s LEU 337 N 2.67 3.58 -0.67 3.68 1.43 -0.74 -1.50 118.68 127.12 1pyg s LEU 337 Ca 0.22 0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 53.66 1pyg s LEU 337 Cb -0.15 -3.48 0.06 0.00 0.03 0.00 0.00 46.19 42.66 1pyg s LEU 337 CO 0.16 -1.39 1.02 0.21 0.23 0.00 0.00 176.35 176.58 1pyg s ASN 338 N 3.32 6.17 0.05 2.29 2.47 -0.65 -2.69 114.94 125.90 1pyg s ASN 338 Ca 0.54 -0.90 0.00 0.00 0.42 0.00 0.00 52.86 52.92 1pyg s ASN 338 Cb -0.10 -2.44 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1pyg s ASN 338 CO 0.31 -1.51 0.00 -0.67 -3.72 0.00 0.00 177.10 171.51 1pyg n ASP 339 N 8.00 -1.30 0.00 -4.21 -0.08 -1.02 -4.23 116.55 113.71 1pyg n ASP 339 Ca -0.03 0.10 0.11 0.00 -1.51 0.00 0.00 54.79 53.46 1pyg n ASP 339 Cb 0.46 -0.67 0.59 0.00 2.34 0.00 0.00 41.12 43.84 1pyg n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1pyg n THR 340 N -1.69 0.25 -0.11 5.18 -2.24 -1.26 -4.10 114.28 110.30 1pyg n THR 340 Ca 0.00 0.06 0.04 0.00 -2.27 0.00 0.00 64.05 61.88 1pyg n THR 340 Cb 0.10 -0.69 0.36 0.00 -2.10 0.00 0.00 70.33 68.00 1pyg n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1pyg h HIS 341 N 0.00 0.69 -0.96 4.78 3.86 -1.96 0.86 115.15 122.41 1pyg h HIS 341 Ca 0.00 0.02 -0.51 0.00 -1.16 0.00 0.00 60.37 58.71 1pyg h HIS 341 Cb 0.17 -0.23 -0.30 0.00 1.06 0.00 0.00 27.41 28.12 1pyg h HIS 341 CO 0.00 0.41 0.65 -0.35 0.86 0.00 0.00 177.93 179.50 1pyg n PRO 342 N -4.46 2.24 0.30 2.45 -0.04 -1.26 -4.63 135.00 129.60 1pyg n PRO 342 Ca 0.07 -2.91 0.19 0.00 -0.04 0.00 0.00 63.50 60.81 1pyg n PRO 342 Cb 0.11 -2.14 0.93 0.00 -0.04 0.00 0.00 33.50 32.36 1pyg n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1pyg h SER 343 N 1.05 0.00 0.06 3.54 4.64 -1.08 -1.73 113.55 120.04 1pyg h SER 343 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 1pyg h SER 343 Cb 2.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.71 1pyg h SER 343 CO 1.11 0.01 0.00 0.18 -0.87 0.00 0.00 176.83 177.26 1pyg n LEU 344 N -3.15 0.00 0.13 5.97 4.77 -1.26 -1.02 117.00 122.43 1pyg n LEU 344 Ca -0.01 0.34 0.04 0.00 -0.03 0.00 0.00 56.01 56.35 1pyg n LEU 344 Cb 0.19 -0.34 0.47 0.00 -2.33 0.00 0.00 43.42 41.41 1pyg n LEU 344 CO 0.24 -0.31 1.01 0.00 -1.33 0.00 0.00 177.39 177.01 1pyg h ALA 345 N 2.13 1.70 0.22 -1.18 0.00 -1.66 -2.26 119.26 118.20 1pyg h ALA 345 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1pyg h ALA 345 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pyg h ALA 345 CO 0.00 0.23 -0.11 0.82 0.00 0.00 0.00 179.25 180.20 1pyg h ILE 346 N 0.25 0.26 -1.00 0.00 2.04 -1.33 0.28 117.51 118.01 1pyg h ILE 346 Ca 0.06 -0.91 0.14 0.00 1.00 0.00 0.00 64.86 65.15 1pyg h ILE 346 Cb 0.16 0.45 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1pyg h ILE 346 CO 0.00 0.07 0.62 1.55 0.00 0.00 0.00 178.15 180.40 1pyg h PRO 347 N -1.04 0.90 -0.35 2.37 0.13 -1.73 -2.71 132.00 129.58 1pyg h PRO 347 Ca -0.03 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.03 1pyg h PRO 347 Cb 0.35 -0.20 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 1pyg h PRO 347 CO 0.05 0.59 0.16 1.49 -0.23 0.00 0.00 178.00 180.06 1pyg h GLU 348 N 0.92 0.50 -0.21 0.86 4.57 -1.40 -1.18 114.58 118.66 1pyg h GLU 348 Ca 0.52 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 58.53 1pyg h GLU 348 Cb 0.60 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1pyg h GLU 348 CO -0.30 0.47 -0.26 1.25 -1.18 0.00 0.00 179.01 178.98 1pyg h LEU 349 N 0.42 0.39 0.07 1.64 5.85 -0.69 0.48 115.31 123.47 1pyg h LEU 349 Ca 0.12 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 1pyg h LEU 349 Cb 0.13 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1pyg h LEU 349 CO -0.01 0.65 -0.03 0.24 -0.34 0.00 0.00 178.44 178.94 1pyg h MET 350 N 0.34 -0.09 -0.64 1.25 2.86 -1.44 -1.83 114.93 115.38 1pyg h MET 350 Ca 0.05 0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.82 1pyg h MET 350 Cb 0.65 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.24 1pyg h MET 350 CO 0.05 0.22 0.18 -0.09 1.06 0.00 0.00 176.91 178.33 1pyg h ARG 351 N -0.42 0.31 0.68 1.72 2.43 -0.53 0.15 114.38 118.73 1pyg h ARG 351 Ca -0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1pyg h ARG 351 Cb 0.36 -0.07 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1pyg h ARG 351 CO 0.02 0.20 -0.32 0.28 -1.51 0.00 0.00 179.97 178.64 1pyg h VAL 352 N 0.32 0.00 -0.62 0.20 2.07 -0.92 -0.12 116.25 117.18 1pyg h VAL 352 Ca 0.34 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 67.82 1pyg h VAL 352 Cb 0.51 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 1pyg h VAL 352 CO -0.40 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.43 1pyg h LEU 353 N -1.02 0.43 -0.03 2.57 3.38 -1.00 0.78 115.31 120.42 1pyg h LEU 353 Ca -0.09 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1pyg h LEU 353 Cb 0.70 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1pyg h LEU 353 CO 0.15 0.28 -0.21 0.58 0.09 0.00 0.00 178.44 179.33 1pyg h VAL 354 N 0.57 1.48 0.00 1.22 2.07 -0.77 0.47 116.25 121.29 1pyg h VAL 354 Ca 0.29 -1.72 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1pyg h VAL 354 Cb 0.24 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1pyg h VAL 354 CO -0.21 0.48 -0.44 0.44 0.02 0.00 0.00 177.57 177.86 1pyg h ASP 355 N -0.38 0.00 0.64 0.57 3.32 -0.93 -3.01 116.42 116.63 1pyg h ASP 355 Ca -0.02 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1pyg h ASP 355 Cb 0.88 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.44 1pyg h ASP 355 CO 0.04 0.70 -0.31 -0.07 -1.72 0.00 0.00 179.24 177.89 1pyg h LEU 356 N -0.96 -0.72 -0.59 1.55 -0.00 -0.94 -3.02 115.31 110.62 1pyg h LEU 356 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1pyg h LEU 356 Cb 0.44 0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.29 1pyg h LEU 356 CO 0.00 -0.42 0.00 -0.62 -0.00 0.00 0.00 178.44 177.40 1pyg n GLU 357 N -5.41 1.39 -2.10 1.13 -0.58 -0.09 -4.92 120.64 110.07 1pyg n GLU 357 Ca -0.13 -0.59 -0.11 0.00 -0.42 0.00 0.00 57.16 55.92 1pyg n GLU 357 Cb 0.36 -1.39 -0.02 0.00 -0.57 0.00 0.00 31.44 29.82 1pyg n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pyg n ARG 358 N -0.23 -1.99 -1.15 3.49 5.12 -0.74 -4.89 116.66 116.28 1pyg n ARG 358 Ca 0.17 0.56 -0.30 0.00 -1.93 0.00 0.00 57.85 56.35 1pyg n ARG 358 Cb 0.22 -5.03 0.12 0.00 -1.16 0.00 0.00 32.46 26.62 1pyg n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1pyg s LEU 359 N -4.89 2.62 0.08 0.55 1.43 0.08 -4.93 118.68 113.62 1pyg s LEU 359 Ca 0.00 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.52 1pyg s LEU 359 Cb 0.00 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 1pyg s LEU 359 CO 0.00 -2.47 0.96 -0.62 0.23 0.00 0.00 176.35 174.44 1pyg s ASP 360 N -3.29 7.45 0.33 2.29 2.15 -1.26 -4.45 116.67 119.88 1pyg s ASP 360 Ca 0.63 1.74 0.09 0.00 0.43 0.00 0.00 52.55 55.44 1pyg s ASP 360 Cb -0.18 -2.58 0.96 0.00 -0.30 0.00 0.00 42.92 40.82 1pyg s ASP 360 CO 0.57 -0.11 1.61 -0.25 -0.17 0.00 0.00 175.17 176.81 1pyg h TRP 361 N 5.89 0.44 -0.15 -5.34 2.91 -1.95 0.92 115.95 118.67 1pyg h TRP 361 Ca -0.42 0.05 -0.08 0.00 1.13 0.00 0.00 58.89 59.57 1pyg h TRP 361 Cb 1.21 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.82 1pyg h TRP 361 CO 0.66 -0.36 -0.25 -0.44 -1.03 0.00 0.00 178.44 177.02 1pyg h ASP 362 N 0.10 0.26 0.02 2.65 3.32 -1.99 -1.62 116.42 119.16 1pyg h ASP 362 Ca 0.68 -0.08 -0.23 0.00 0.02 0.00 0.00 57.03 57.42 1pyg h ASP 362 Cb 1.55 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 41.04 1pyg h ASP 362 CO -0.77 0.52 -0.87 0.50 -1.72 0.00 0.00 179.24 176.90 1pyg h LYS 363 N 0.24 0.66 -0.33 3.56 1.63 -1.23 -0.90 116.57 120.21 1pyg h LYS 363 Ca 0.04 -0.61 0.02 0.00 -0.85 0.00 0.00 60.65 59.25 1pyg h LYS 363 Cb 0.58 0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 1pyg h LYS 363 CO 0.04 1.22 0.18 0.00 -3.45 0.00 0.00 179.45 177.43 1pyg h ALA 364 N 0.59 0.40 -0.24 5.00 0.00 -1.17 -0.66 119.26 123.19 1pyg h ALA 364 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1pyg h ALA 364 Cb 1.50 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1pyg h ALA 364 CO 0.17 -0.19 -0.11 2.35 0.00 0.00 0.00 179.25 181.47 1pyg h TRP 365 N 0.36 0.42 -0.36 0.00 2.91 -1.16 0.22 115.95 118.34 1pyg h TRP 365 Ca 0.13 -0.05 0.02 0.00 1.13 0.00 0.00 58.89 60.12 1pyg h TRP 365 Cb 0.03 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.53 1pyg h TRP 365 CO -0.09 0.50 0.20 1.49 -1.03 0.00 0.00 178.44 179.51 1pyg h GLU 366 N 0.37 0.39 -0.19 2.65 4.81 -0.40 -0.77 114.58 121.44 1pyg h GLU 366 Ca 0.07 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 59.09 1pyg h GLU 366 Cb 0.42 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.72 1pyg h GLU 366 CO 0.02 0.26 -0.61 0.28 -0.73 0.00 0.00 179.01 178.24 1pyg h VAL 367 N 0.40 1.30 0.43 0.32 2.07 -0.34 -2.42 116.25 118.01 1pyg h VAL 367 Ca 0.15 -1.82 -0.02 0.00 0.82 0.00 0.00 66.70 65.82 1pyg h VAL 367 Cb 0.03 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1pyg h VAL 367 CO -0.09 0.58 -0.21 0.74 0.02 0.00 0.00 177.57 178.61 1pyg h THR 368 N 0.47 0.58 -0.86 2.57 2.02 0.09 -0.62 112.91 117.16 1pyg h THR 368 Ca -0.02 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.06 1pyg h THR 368 Cb 1.23 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1pyg h THR 368 CO 0.13 0.03 0.55 0.58 0.37 0.00 0.00 175.52 177.18 1pyg h VAL 369 N -0.65 1.12 0.00 3.16 2.07 -1.22 0.18 116.25 120.92 1pyg h VAL 369 Ca -0.06 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1pyg h VAL 369 Cb 0.48 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1pyg h VAL 369 CO 0.10 0.19 -0.16 0.11 0.02 0.00 0.00 177.57 177.83 1pyg h LYS 370 N 1.06 0.00 0.00 1.57 1.57 -1.32 -2.98 116.57 116.47 1pyg h LYS 370 Ca 0.35 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.01 1pyg h LYS 370 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1pyg h LYS 370 CO -0.13 0.16 -0.83 1.15 -0.57 0.00 0.00 179.45 179.23 1pyg h THR 371 N 0.00 0.63 -4.20 -0.16 2.02 0.68 -3.47 112.91 108.41 1pyg h THR 371 Ca -0.00 -1.74 -0.48 0.00 0.77 0.00 0.00 66.41 64.96 1pyg h THR 371 Cb 0.40 1.46 0.04 0.00 -1.74 0.00 0.00 68.15 68.31 1pyg h THR 371 CO 0.02 0.22 0.38 0.00 0.37 0.00 0.00 175.52 176.50 1pyg s ALA 373 N -2.56 -0.16 -0.02 0.00 0.00 -1.03 -1.43 121.76 116.56 1pyg s ALA 373 Ca 0.61 -0.26 0.06 0.00 0.00 0.00 0.00 51.96 52.36 1pyg s ALA 373 Cb -0.12 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1pyg s ALA 373 CO 0.34 -0.18 -0.19 -0.47 0.00 0.00 0.00 175.76 175.26 1pyg s TYR 374 N -1.29 1.72 -0.25 0.00 5.04 -0.36 -1.80 117.35 120.42 1pyg s TYR 374 Ca -0.14 -0.33 -0.02 0.00 -2.44 0.00 0.00 57.07 54.14 1pyg s TYR 374 Cb -0.08 -1.11 0.02 0.00 0.35 0.00 0.00 41.96 41.14 1pyg s TYR 374 CO 0.01 -0.03 -0.06 0.99 -1.34 0.00 0.00 175.55 175.12 1pyg s THR 375 N -0.44 2.94 0.27 4.34 2.01 -1.09 -1.41 115.64 122.25 1pyg s THR 375 Ca 0.07 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 1pyg s THR 375 Cb -0.07 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.90 1pyg s THR 375 CO -0.01 0.21 0.53 0.21 -0.69 0.00 0.00 174.62 174.88 1pyg s ASN 376 N 1.34 6.46 -0.02 3.53 3.84 0.28 -2.44 114.94 127.94 1pyg s ASN 376 Ca 0.01 0.71 0.03 0.00 0.21 0.00 0.00 52.86 53.81 1pyg s ASN 376 Cb -0.16 -2.14 0.04 0.00 -0.55 0.00 0.00 41.25 38.43 1pyg s ASN 376 CO -0.04 -0.16 0.85 1.41 -2.79 0.00 0.00 177.10 176.37 1pyg n HIS 377 N -0.78 0.00 -4.20 0.43 8.25 -1.26 -4.03 115.22 113.64 1pyg n HIS 377 Ca -0.02 -0.34 -0.16 0.00 -0.26 0.00 0.00 57.72 56.95 1pyg n HIS 377 Cb 0.54 -0.05 -0.11 0.00 1.12 0.00 0.00 29.99 31.49 1pyg n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1pyg s THR 378 N -0.79 1.08 -1.44 1.59 -1.32 -1.26 -4.78 115.64 108.72 1pyg s THR 378 Ca 0.04 -1.62 0.22 0.00 -1.21 0.00 0.00 61.69 59.12 1pyg s THR 378 Cb 0.04 -1.37 -0.14 0.00 -1.51 0.00 0.00 72.50 69.52 1pyg s THR 378 CO 0.00 -0.48 0.98 1.33 -2.21 0.00 0.00 174.62 174.25 1pyg n VAL 379 N 0.64 0.00 -3.72 5.08 0.24 -1.26 -4.94 118.33 114.36 1pyg n VAL 379 Ca -0.16 -0.11 -0.38 0.00 -2.04 0.00 0.00 64.34 61.64 1pyg n VAL 379 Cb 0.57 1.11 -0.12 0.00 -1.47 0.00 0.00 33.84 33.93 1pyg n VAL 379 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1pyg s LEU 380 N -2.78 4.63 0.33 1.34 1.98 -1.26 -4.94 118.68 117.99 1pyg s LEU 380 Ca 0.12 -1.35 0.05 0.00 -2.89 0.00 0.00 54.13 50.06 1pyg s LEU 380 Cb 0.17 -1.89 0.68 0.00 0.66 0.00 0.00 46.19 45.81 1pyg s LEU 380 CO 0.74 -0.41 1.91 -0.65 -1.89 0.00 0.00 176.35 176.05 1pyg h PRO 381 N 8.24 0.83 -0.80 0.98 0.11 -1.99 0.20 132.00 139.56 1pyg h PRO 381 Ca -0.22 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.87 1pyg h PRO 381 Cb 1.08 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1pyg h PRO 381 CO 0.65 0.55 0.52 0.93 -0.21 0.00 0.00 178.00 180.43 1pyg h GLU 382 N 0.85 0.99 0.00 1.05 3.07 -2.03 -2.62 114.58 115.90 1pyg h GLU 382 Ca 0.39 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.19 1pyg h GLU 382 Cb 0.39 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1pyg h GLU 382 CO -0.16 0.66 0.03 0.00 -1.40 0.00 0.00 179.01 178.14 1pyg n ALA 383 N -2.33 1.00 -0.67 3.43 0.00 0.06 -4.85 120.51 117.15 1pyg n ALA 383 Ca 0.09 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.41 1pyg n ALA 383 Cb 0.06 -1.26 0.17 0.00 0.00 0.00 0.00 19.45 18.42 1pyg n ALA 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pyg n LEU 384 N -2.24 3.30 -4.56 0.00 4.77 -0.99 -4.98 117.00 112.30 1pyg n LEU 384 Ca -0.01 0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 1pyg n LEU 384 Cb 0.06 -1.48 -0.07 0.00 -2.33 0.00 0.00 43.42 39.61 1pyg n LEU 384 CO 0.09 -2.17 0.34 -0.70 -1.33 0.00 0.00 177.39 173.62 1pyg s GLU 385 N -4.63 3.61 -0.25 3.23 2.12 -1.26 -5.03 118.70 116.48 1pyg s GLU 385 Ca 0.67 -0.06 -0.01 0.00 0.36 0.00 0.00 54.97 55.93 1pyg s GLU 385 Cb -0.23 -3.83 0.07 0.00 0.26 0.00 0.00 34.13 30.41 1pyg s GLU 385 CO 0.58 -0.75 0.02 1.03 -0.54 0.00 0.00 175.26 175.60 1pyg s ARG 386 N 2.64 1.07 -0.17 4.30 0.52 -1.26 -1.40 118.95 124.65 1pyg s ARG 386 Ca 0.23 -0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 54.41 1pyg s ARG 386 Cb -0.15 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.96 1pyg s ARG 386 CO 0.15 -0.73 0.31 -1.58 0.02 0.00 0.00 175.30 173.46 1pyg s TRP 387 N 1.57 3.43 0.27 -0.53 0.52 -0.66 -4.77 118.94 118.77 1pyg s TRP 387 Ca 0.01 0.57 -0.31 0.00 0.02 0.00 0.00 56.10 56.39 1pyg s TRP 387 Cb -0.18 -2.38 -0.13 0.00 -1.15 0.00 0.00 33.47 29.64 1pyg s TRP 387 CO -0.12 0.17 1.47 -0.35 0.02 0.00 0.00 176.95 178.15 1pyg n PRO 388 N 3.81 2.30 0.21 4.98 -0.04 -1.26 -0.49 135.00 144.51 1pyg n PRO 388 Ca -0.11 0.82 0.07 0.00 -0.04 0.00 0.00 63.50 64.23 1pyg n PRO 388 Cb 0.52 -2.52 0.46 0.00 -0.04 0.00 0.00 33.50 31.92 1pyg n PRO 388 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1pyg h VAL 389 N 3.13 0.91 0.00 0.52 -1.51 -1.17 -0.75 116.25 117.38 1pyg h VAL 389 Ca -0.46 -1.12 -0.01 0.00 -1.23 0.00 0.00 66.70 63.88 1pyg h VAL 389 Cb 1.26 1.66 -0.00 0.00 -2.13 0.00 0.00 31.29 32.08 1pyg h VAL 389 CO 0.76 0.28 -0.04 1.12 -1.23 0.00 0.00 177.57 178.46 1pyg h HIS 390 N 0.00 0.00 0.14 5.19 2.07 -1.92 0.00 115.15 120.63 1pyg h HIS 390 Ca -0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 1pyg h HIS 390 Cb 0.64 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.63 1pyg h HIS 390 CO 0.00 0.04 -1.30 1.25 -3.07 0.00 0.00 177.93 174.86 1pyg h LEU 391 N 0.00 0.46 -2.14 6.12 5.85 -1.52 -3.19 115.31 120.90 1pyg h LEU 391 Ca -0.00 -0.89 -0.00 0.00 0.84 0.00 0.00 57.88 57.82 1pyg h LEU 391 Cb 0.10 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1pyg h LEU 391 CO 0.01 1.59 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.60 1pyg h LEU 392 N -0.25 0.00 -0.31 2.25 3.38 -1.26 0.19 115.31 119.31 1pyg h LEU 392 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pyg h LEU 392 Cb 1.80 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.53 1pyg h LEU 392 CO 0.11 0.02 0.20 -0.08 0.09 0.00 0.00 178.44 178.78 1pyg h GLU 393 N 0.00 0.41 0.02 1.13 4.81 -1.12 0.47 114.58 120.31 1pyg h GLU 393 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pyg h GLU 393 Cb 0.05 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1pyg h GLU 393 CO 0.00 0.30 -0.01 1.15 -0.73 0.00 0.00 179.01 179.72 1pyg h THR 394 N 0.41 0.87 -0.23 0.32 2.02 -1.03 -3.31 112.91 111.95 1pyg h THR 394 Ca 0.11 -1.60 -0.17 0.00 0.77 0.00 0.00 66.41 65.52 1pyg h THR 394 Cb -0.02 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1pyg h THR 394 CO -0.02 0.29 -0.53 0.25 0.37 0.00 0.00 175.52 175.88 1pyg h LEU 395 N -0.99 0.75 -5.63 2.58 5.85 -0.80 -3.37 115.31 113.70 1pyg h LEU 395 Ca -0.00 -0.39 -0.43 0.00 0.84 0.00 0.00 57.88 57.90 1pyg h LEU 395 Cb 0.49 -0.21 -0.30 0.00 0.37 0.00 0.00 40.66 41.01 1pyg h LEU 395 CO 0.00 1.14 -0.89 0.18 -0.34 0.00 0.00 178.44 178.53 1pyg n LEU 396 N -3.98 -0.81 -0.29 2.25 4.77 0.14 -1.07 117.00 118.01 1pyg n LEU 396 Ca -0.03 -4.27 0.09 0.00 -0.03 0.00 0.00 56.01 51.77 1pyg n LEU 396 Cb 0.60 0.73 0.22 0.00 -2.33 0.00 0.00 43.42 42.65 1pyg n LEU 396 CO 0.48 2.08 0.84 1.55 -1.33 0.00 0.00 177.39 181.02 1pyg h PRO 397 N 3.77 0.10 -0.79 3.23 0.13 -1.59 -0.48 132.00 136.36 1pyg h PRO 397 Ca -0.00 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1pyg h PRO 397 Cb 0.95 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 1pyg h PRO 397 CO 0.40 0.07 0.52 0.00 -0.23 0.00 0.00 178.00 178.76 1pyg h ARG 398 N 0.10 1.03 -0.08 0.86 2.47 -1.92 -1.38 114.38 115.46 1pyg h ARG 398 Ca 0.49 -0.06 -0.23 0.00 -1.26 0.00 0.00 59.98 58.92 1pyg h ARG 398 Cb 0.94 -0.23 0.01 0.00 -1.65 0.00 0.00 29.97 29.04 1pyg h ARG 398 CO -0.74 0.68 -0.88 0.45 0.56 0.00 0.00 179.97 180.05 1pyg h HIS 399 N 1.06 0.95 -0.50 3.04 3.86 -1.43 -1.05 115.15 121.08 1pyg h HIS 399 Ca 0.29 -0.46 0.03 0.00 -1.16 0.00 0.00 60.37 59.07 1pyg h HIS 399 Cb -0.11 -0.13 -0.03 0.00 1.06 0.00 0.00 27.41 28.20 1pyg h HIS 399 CO -0.00 1.29 0.33 1.25 0.86 0.00 0.00 177.93 181.66 1pyg h LEU 400 N 0.43 0.47 -0.48 2.43 5.85 -1.15 0.25 115.31 123.12 1pyg h LEU 400 Ca -0.08 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 1pyg h LEU 400 Cb 1.51 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.41 1pyg h LEU 400 CO 0.17 0.32 0.05 1.56 -0.34 0.00 0.00 178.44 180.21 1pyg h GLN 401 N 0.55 0.80 0.00 1.25 4.20 -0.62 -1.41 115.11 119.88 1pyg h GLN 401 Ca 0.20 -0.23 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 1pyg h GLN 401 Cb 0.13 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1pyg h GLN 401 CO -0.05 0.82 -0.57 0.82 -0.67 0.00 0.00 178.83 179.18 1pyg h ILE 402 N 0.67 1.29 -0.16 2.54 2.04 0.17 -1.35 117.51 122.70 1pyg h ILE 402 Ca 0.14 -2.05 -0.11 0.00 1.00 0.00 0.00 64.86 63.84 1pyg h ILE 402 Cb 0.43 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 1pyg h ILE 402 CO 0.01 0.56 -0.38 0.40 0.00 0.00 0.00 178.15 178.74 1pyg h ILE 403 N 0.00 1.30 0.09 -0.67 2.04 -0.08 -0.37 117.51 119.82 1pyg h ILE 403 Ca -0.01 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.35 1pyg h ILE 403 Cb 1.10 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 1pyg h ILE 403 CO 0.07 0.46 -0.04 1.88 0.00 0.00 0.00 178.15 180.52 1pyg h TYR 404 N 0.30 -0.12 0.00 1.37 0.05 -0.77 0.90 116.97 118.71 1pyg h TYR 404 Ca 0.03 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1pyg h TYR 404 Cb 0.82 0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.59 1pyg h TYR 404 CO 0.02 0.35 -0.07 0.93 -1.05 0.00 0.00 178.16 178.34 1pyg h GLU 405 N -0.65 0.00 0.18 4.88 4.39 -1.14 -0.32 114.58 121.93 1pyg h GLU 405 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1pyg h GLU 405 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 1pyg h GLU 405 CO 0.02 0.07 -0.09 0.82 -1.16 0.00 0.00 179.01 178.67 1pyg h ILE 406 N 0.00 0.93 -0.93 3.13 2.04 -0.92 -2.94 117.51 118.82 1pyg h ILE 406 Ca -0.00 -0.58 0.06 0.00 1.00 0.00 0.00 64.86 65.33 1pyg h ILE 406 Cb 0.17 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 1pyg h ILE 406 CO 0.01 0.13 0.59 -1.13 0.00 0.00 0.00 178.15 177.76 1pyg h ASN 407 N -0.53 0.95 0.31 1.72 -0.00 0.75 0.37 115.58 119.16 1pyg h ASN 407 Ca -0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 56.30 56.27 1pyg h ASN 407 Cb 0.40 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.53 1pyg h ASN 407 CO 0.04 0.61 -0.15 -0.61 -0.00 0.00 0.00 177.43 177.32 1pyg h GLN 408 N 1.09 -0.41 -0.00 6.67 4.15 -1.22 -0.59 115.11 124.80 1pyg h GLN 408 Ca 0.40 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.85 1pyg h GLN 408 Cb 0.14 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1pyg h GLN 408 CO -0.16 -0.08 0.01 0.00 -1.93 0.00 0.00 178.83 176.67 1pyg h ARG 409 N -0.83 0.00 0.27 1.69 3.08 -1.27 -0.94 114.38 116.38 1pyg h ARG 409 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1pyg h ARG 409 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1pyg h ARG 409 CO 0.07 0.00 -0.13 0.35 -1.07 0.00 0.00 179.97 179.19 1pyg h PHE 410 N 0.00 -0.34 -0.20 3.04 3.57 -0.48 -3.18 116.94 119.35 1pyg h PHE 410 Ca 0.00 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1pyg h PHE 410 Cb 0.02 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1pyg h PHE 410 CO 0.00 -0.21 0.24 -0.07 -2.23 0.00 0.00 178.31 176.04 1pyg h LEU 411 N -1.08 0.00 -0.23 0.59 4.07 -0.58 0.47 115.31 118.56 1pyg h LEU 411 Ca -0.04 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.78 1pyg h LEU 411 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 1pyg h LEU 411 CO 0.06 0.00 -0.40 0.78 -1.08 0.00 0.00 178.44 177.80 1pyg h ASN 412 N 0.00 0.76 -0.65 -0.43 -0.26 -1.27 -0.12 115.58 113.61 1pyg h ASN 412 Ca 0.09 -0.53 -0.02 0.00 -0.56 0.00 0.00 56.30 55.28 1pyg h ASN 412 Cb 0.58 -0.22 -0.03 0.00 -1.06 0.00 0.00 38.32 37.59 1pyg h ASN 412 CO -0.00 1.14 0.34 0.03 -1.06 0.00 0.00 177.43 177.88 1pyg h ARG 413 N 0.40 0.93 -0.28 0.81 3.08 -0.10 -0.04 114.38 119.17 1pyg h ARG 413 Ca 0.02 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1pyg h ARG 413 Cb 1.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1pyg h ARG 413 CO 0.09 0.72 -0.15 -0.39 -1.07 0.00 0.00 179.97 179.17 1pyg h VAL 414 N 0.90 1.23 -0.01 2.04 -1.51 -1.04 -2.49 116.25 115.38 1pyg h VAL 414 Ca 0.23 -1.05 -0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1pyg h VAL 414 Cb 0.08 1.18 -0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1pyg h VAL 414 CO -0.03 0.34 0.00 0.00 -1.23 0.00 0.00 177.57 176.65 1pyg h ALA 415 N 1.41 0.01 -0.53 5.19 0.00 0.11 0.10 119.26 125.55 1pyg h ALA 415 Ca 0.08 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.01 1pyg h ALA 415 Cb 0.52 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1pyg h ALA 415 CO 0.03 -0.42 0.07 0.00 0.00 0.00 0.00 179.25 178.94 1pyg h ALA 416 N 0.86 0.58 0.00 0.00 0.00 -0.90 -1.88 119.26 117.91 1pyg h ALA 416 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1pyg h ALA 416 Cb 0.15 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pyg h ALA 416 CO -0.00 -0.34 -0.26 0.00 0.00 0.00 0.00 179.25 178.65 1pyg h ALA 417 N 1.44 0.99 -1.84 0.00 0.00 -0.92 -3.34 119.26 115.59 1pyg h ALA 417 Ca 0.27 -0.24 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 1pyg h ALA 417 Cb 0.40 -0.04 -0.36 0.00 0.00 0.00 0.00 17.79 17.78 1pyg h ALA 417 CO -0.38 0.33 -1.03 1.19 0.00 0.00 0.00 179.25 179.35 1pyg n PHE 418 N -3.39 -0.74 -1.80 0.00 3.72 0.29 -5.09 117.46 110.45 1pyg n PHE 418 Ca 0.00 -3.34 -0.37 0.00 -0.05 0.00 0.00 57.45 53.69 1pyg n PHE 418 Cb 0.46 -0.09 0.06 0.00 -0.94 0.00 0.00 39.48 38.97 1pyg n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1pyg s PRO 419 N -0.87 2.63 0.00 -1.08 0.02 -0.74 -1.56 135.00 133.40 1pyg s PRO 419 Ca 0.34 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.37 1pyg s PRO 419 Cb 0.16 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.82 1pyg s PRO 419 CO -0.13 -1.52 0.00 0.41 -0.33 0.00 0.00 177.00 175.43 1pyg n GLY 420 N 0.80 1.80 3.50 0.52 0.00 -1.26 -4.87 105.19 105.67 1pyg n GLY 420 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1pyg n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pyg s ASP 421 N -1.86 6.72 0.10 1.61 -1.08 -0.60 -4.79 116.67 116.77 1pyg s ASP 421 Ca 0.00 -2.15 -0.16 0.00 -0.52 0.00 0.00 52.55 49.72 1pyg s ASP 421 Cb 0.00 -2.47 -0.07 0.00 -1.46 0.00 0.00 42.92 38.92 1pyg s ASP 421 CO 0.00 -1.13 1.46 -0.37 0.52 0.00 0.00 175.17 175.65 1pyg h VAL 422 N 5.80 1.29 0.00 1.11 -1.51 -1.89 -2.45 116.25 118.60 1pyg h VAL 422 Ca 0.25 -1.29 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 1pyg h VAL 422 Cb 0.96 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1pyg h VAL 422 CO 1.28 0.41 0.00 -0.78 -1.23 0.00 0.00 177.57 177.25 1pyg h ASP 423 N 0.41 0.00 -0.07 4.19 3.58 -1.99 -1.44 116.42 121.10 1pyg h ASP 423 Ca 0.06 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.39 1pyg h ASP 423 Cb 0.71 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.76 1pyg h ASP 423 CO 0.05 0.00 -0.45 -0.09 -2.88 0.00 0.00 179.24 175.87 1pyg h ARG 424 N 0.00 0.43 -0.87 0.28 2.43 -1.84 0.63 114.38 115.45 1pyg h ARG 424 Ca 0.00 -0.37 0.16 0.00 -0.81 0.00 0.00 59.98 58.96 1pyg h ARG 424 Cb 0.37 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.90 1pyg h ARG 424 CO 0.00 1.01 0.45 -0.07 -1.51 0.00 0.00 179.97 179.85 1pyg h LEU 425 N -0.02 0.54 0.57 3.80 3.38 -1.11 0.21 115.31 122.67 1pyg h LEU 425 Ca -0.03 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1pyg h LEU 425 Cb 1.10 0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.87 1pyg h LEU 425 CO 0.09 0.21 -0.27 -0.09 0.09 0.00 0.00 178.44 178.47 1pyg h ARG 426 N 0.62 -0.73 -0.59 1.13 2.43 -1.16 -0.95 114.38 115.14 1pyg h ARG 426 Ca 0.48 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.63 1pyg h ARG 426 Cb 0.72 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.41 1pyg h ARG 426 CO -0.38 -0.44 0.09 0.00 -1.51 0.00 0.00 179.97 177.73 1pyg h ARG 427 N -0.88 0.96 0.00 0.20 3.08 -0.21 -3.14 114.38 114.38 1pyg h ARG 427 Ca -0.08 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.58 1pyg h ARG 427 Cb 0.63 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1pyg h ARG 427 CO 0.13 0.89 -0.73 0.52 -1.07 0.00 0.00 179.97 179.71 1pyg h MET 428 N 0.90 0.00 -6.04 0.04 2.86 -0.98 -3.47 114.93 108.23 1pyg h MET 428 Ca 0.18 0.00 -0.69 0.00 -2.06 0.00 0.00 59.70 57.13 1pyg h MET 428 Cb 0.41 0.00 0.09 0.00 0.06 0.00 0.00 31.60 32.16 1pyg h MET 428 CO 0.01 0.73 -0.31 0.45 1.06 0.00 0.00 176.91 178.85 1pyg n SER 429 N -3.53 -0.67 0.19 1.22 2.88 -0.36 -4.87 113.62 108.48 1pyg n SER 429 Ca -0.00 1.14 0.06 0.00 -1.33 0.00 0.00 58.87 58.74 1pyg n SER 429 Cb 0.74 -0.98 0.36 0.00 -0.75 0.00 0.00 64.21 63.59 1pyg n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pyg h LEU 430 N 1.67 0.00 -8.61 2.46 4.07 -1.89 -3.41 115.31 109.60 1pyg h LEU 430 Ca -0.35 0.00 -0.68 0.00 0.08 0.00 0.00 57.88 56.93 1pyg h LEU 430 Cb 1.43 0.00 -0.18 0.00 1.08 0.00 0.00 40.66 42.99 1pyg h LEU 430 CO 0.60 0.36 -0.20 -0.69 -1.08 0.00 0.00 178.44 177.43 1pyg s VAL 431 N -3.68 5.09 0.70 1.22 1.01 -1.26 -0.69 120.40 122.78 1pyg s VAL 431 Ca -0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1pyg s VAL 431 Cb 0.11 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1pyg s VAL 431 CO 0.68 -0.33 1.06 -1.61 0.00 0.00 0.00 175.10 174.90 1pyg s GLU 432 N 2.17 2.94 0.08 2.72 2.02 0.22 -4.92 118.70 123.94 1pyg s GLU 432 Ca 0.13 0.89 -0.04 0.00 0.02 0.00 0.00 54.97 55.97 1pyg s GLU 432 Cb -0.17 -2.00 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 1pyg s GLU 432 CO 0.13 -1.08 0.08 -1.83 0.02 0.00 0.00 175.26 172.59 1pyg s GLU 433 N -5.08 0.78 0.00 1.61 4.04 -1.26 -2.04 118.70 116.75 1pyg s GLU 433 Ca 0.58 -1.16 0.00 0.00 0.04 0.00 0.00 54.97 54.43 1pyg s GLU 433 Cb -0.14 0.27 0.00 0.00 0.02 0.00 0.00 34.13 34.29 1pyg s GLU 433 CO 0.55 -0.21 0.00 0.41 -1.84 0.00 0.00 175.26 174.17 1pyg n GLY 434 N -0.00 0.35 5.13 -3.83 0.00 -1.26 -4.88 105.19 100.70 1pyg n GLY 434 Ca -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1pyg n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg n ALA 435 N 0.52 0.00 -2.62 4.61 0.00 -1.26 -4.31 120.51 117.46 1pyg n ALA 435 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1pyg n ALA 435 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1pyg n ALA 435 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pyg s VAL 436 N 0.00 2.53 -0.19 0.00 1.01 -1.26 -5.11 120.40 117.38 1pyg s VAL 436 Ca 0.00 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 1pyg s VAL 436 Cb 0.00 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1pyg s VAL 436 CO 0.00 0.57 0.65 -0.75 0.00 0.00 0.00 175.10 175.58 1pyg s LYS 437 N -0.37 4.24 0.06 2.72 2.20 -1.26 -4.65 119.74 122.68 1pyg s LYS 437 Ca 0.03 0.67 0.05 0.00 -0.36 0.00 0.00 55.97 56.36 1pyg s LYS 437 Cb -0.12 -3.57 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1pyg s LYS 437 CO 0.02 -0.22 -0.13 1.03 -0.36 0.00 0.00 175.35 175.68 1pyg s ARG 438 N 1.85 0.80 -0.15 4.03 3.00 -0.87 -0.58 118.95 127.02 1pyg s ARG 438 Ca 0.30 -0.91 -0.07 0.00 0.00 0.00 0.00 55.73 55.05 1pyg s ARG 438 Cb -0.16 -0.78 -0.04 0.00 0.00 0.00 0.00 34.95 33.97 1pyg s ARG 438 CO 0.11 0.17 0.09 0.42 0.00 0.00 0.00 175.30 176.10 1pyg s ILE 439 N -1.23 5.10 -0.48 1.52 -1.09 0.36 0.73 121.20 126.11 1pyg s ILE 439 Ca -0.02 0.07 -0.13 0.00 -2.23 0.00 0.00 60.65 58.34 1pyg s ILE 439 Cb -0.10 -3.26 0.10 0.00 -1.58 0.00 0.00 42.46 37.62 1pyg s ILE 439 CO 0.02 0.52 0.38 0.21 -1.23 0.00 0.00 174.94 174.85 1pyg s ASN 440 N -0.23 5.94 0.57 3.58 3.84 0.13 -1.65 114.94 127.13 1pyg s ASN 440 Ca 0.09 -1.64 0.35 0.00 0.21 0.00 0.00 52.86 51.87 1pyg s ASN 440 Cb -0.12 -2.10 1.63 0.00 -0.55 0.00 0.00 41.25 40.10 1pyg s ASN 440 CO 0.01 -0.70 2.09 0.24 -2.79 0.00 0.00 177.10 175.95 1pyg h MET 441 N 8.64 0.00 -0.02 0.43 2.86 -1.54 -2.06 114.93 123.24 1pyg h MET 441 Ca -0.26 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 1pyg h MET 441 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1pyg h MET 441 CO 0.89 0.03 -0.12 0.00 1.06 0.00 0.00 176.91 178.77 1pyg h ALA 442 N 1.97 0.04 -0.71 6.32 0.00 -1.93 -0.96 119.26 124.00 1pyg h ALA 442 Ca -0.00 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.60 1pyg h ALA 442 Cb 0.37 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1pyg h ALA 442 CO 0.00 -0.03 0.38 0.45 0.00 0.00 0.00 179.25 180.05 1pyg h HIS 443 N -0.51 0.69 0.07 0.00 3.86 -1.77 0.65 115.15 118.14 1pyg h HIS 443 Ca -0.01 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1pyg h HIS 443 Cb 0.80 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 29.03 1pyg h HIS 443 CO 0.16 0.30 -0.23 1.25 0.86 0.00 0.00 177.93 180.26 1pyg h LEU 444 N 0.67 -0.66 -1.52 2.43 5.85 -1.39 0.86 115.31 121.55 1pyg h LEU 444 Ca 0.33 0.08 0.04 0.00 0.84 0.00 0.00 57.88 59.17 1pyg h LEU 444 Cb 0.27 0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1pyg h LEU 444 CO -0.22 -0.31 0.37 0.00 -0.34 0.00 0.00 178.44 177.94 1pyg h ILE 446 N 0.61 1.30 -0.31 0.00 2.04 -0.65 -2.44 117.51 118.06 1pyg h ILE 446 Ca 0.23 -2.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 1pyg h ILE 446 Cb 0.16 2.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1pyg h ILE 446 CO -0.06 0.62 0.15 0.00 0.00 0.00 0.00 178.15 178.86 1pyg h ALA 447 N 0.49 0.39 -0.03 1.87 0.00 0.19 -3.17 119.26 119.00 1pyg h ALA 447 Ca -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pyg h ALA 447 Cb 1.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1pyg h ALA 447 CO 0.16 -0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1pyg n GLY 448 N -0.85 -0.72 3.40 0.00 0.00 0.13 -4.90 105.19 102.25 1pyg n GLY 448 Ca -0.02 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 1pyg n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pyg s SER 449 N -1.72 3.09 0.00 1.61 0.01 -0.93 -3.56 113.70 112.20 1pyg s SER 449 Ca 0.34 -0.99 0.24 0.00 1.31 0.00 0.00 55.95 56.85 1pyg s SER 449 Cb 0.16 -0.22 0.23 0.00 0.21 0.00 0.00 66.02 66.41 1pyg s SER 449 CO 0.27 -0.04 1.28 0.00 0.41 0.00 0.00 173.24 175.16 1pyg n HIS 450 N -0.36 0.10 -3.66 2.43 1.44 -0.52 -4.87 115.22 109.78 1pyg n HIS 450 Ca -0.08 -0.05 -0.11 0.00 -2.01 0.00 0.00 57.72 55.48 1pyg n HIS 450 Cb 0.59 -0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.62 1pyg n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pyg s ALA 451 N -1.89 -1.55 -0.04 1.59 0.00 -1.26 -4.70 121.76 113.91 1pyg s ALA 451 Ca 0.30 1.93 0.01 0.00 0.00 0.00 0.00 51.96 54.21 1pyg s ALA 451 Cb 0.20 -1.14 0.02 0.00 0.00 0.00 0.00 23.12 22.21 1pyg s ALA 451 CO 0.30 -0.32 -0.06 0.54 0.00 0.00 0.00 175.76 176.23 1pyg s VAL 452 N 0.99 0.61 0.01 0.00 0.11 -0.11 -1.22 120.40 120.79 1pyg s VAL 452 Ca -0.05 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1pyg s VAL 452 Cb -0.05 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1pyg s VAL 452 CO -0.09 0.23 -0.07 0.54 -3.33 0.00 0.00 175.10 172.38 1pyg s ASN 453 N 0.74 0.84 0.67 3.54 4.22 -0.50 -0.27 114.94 124.19 1pyg s ASN 453 Ca -0.11 -0.22 -0.04 0.00 -2.14 0.00 0.00 52.86 50.36 1pyg s ASN 453 Cb -0.13 -0.06 0.07 0.00 1.28 0.00 0.00 41.25 42.40 1pyg s ASN 453 CO 0.01 0.03 0.95 -0.83 -2.04 0.00 0.00 177.10 175.21 1pyg s GLY 454 N -0.48 1.75 0.00 0.45 0.00 -0.86 -0.55 107.32 107.63 1pyg s GLY 454 Ca 0.00 -1.20 0.23 0.00 0.00 0.00 0.00 44.72 43.75 1pyg s GLY 454 CO -0.00 -0.79 1.52 3.33 0.00 0.00 0.00 173.10 177.17 1pyg n VAL 455 N -2.77 0.92 -3.59 1.40 0.24 -1.25 -1.53 118.33 111.75 1pyg n VAL 455 Ca 0.10 -0.96 -0.11 0.00 -2.04 0.00 0.00 64.34 61.33 1pyg n VAL 455 Cb 0.60 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.50 1pyg n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyg s ALA 456 N -1.08 -1.92 0.12 2.33 0.00 -1.26 -1.74 121.76 118.21 1pyg s ALA 456 Ca 0.48 1.67 -0.30 0.00 0.00 0.00 0.00 51.96 53.80 1pyg s ALA 456 Cb 0.25 -0.88 -0.10 0.00 0.00 0.00 0.00 23.12 22.39 1pyg s ALA 456 CO 0.34 -0.29 1.50 -0.09 0.00 0.00 0.00 175.76 177.21 1pyg h ARG 457 N 3.20 -0.36 -0.97 0.00 2.43 -1.93 0.11 114.38 116.88 1pyg h ARG 457 Ca -0.23 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1pyg h ARG 457 Cb 1.16 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 1pyg h ARG 457 CO 0.25 -0.24 0.63 0.82 -1.51 0.00 0.00 179.97 179.92 1pyg h ILE 458 N -0.37 1.09 -0.09 1.20 1.08 -1.95 -2.15 117.51 116.32 1pyg h ILE 458 Ca 0.06 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.14 1pyg h ILE 458 Cb 0.54 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.15 1pyg h ILE 458 CO -0.54 0.21 0.03 -0.74 -0.69 0.00 0.00 178.15 176.42 1pyg h HIS 459 N 1.13 0.14 -0.12 1.37 2.76 -1.52 0.24 115.15 119.14 1pyg h HIS 459 Ca 0.41 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.50 1pyg h HIS 459 Cb 0.15 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1pyg h HIS 459 CO -0.00 0.30 -0.22 0.77 -1.30 0.00 0.00 177.93 177.48 1pyg h SER 460 N -0.05 0.21 -0.17 3.26 0.02 -0.72 -1.78 113.55 114.31 1pyg h SER 460 Ca 0.03 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1pyg h SER 460 Cb 0.22 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1pyg h SER 460 CO -0.00 0.44 0.10 -0.33 -1.14 0.00 0.00 176.83 175.90 1pyg h GLU 461 N 0.20 0.23 -0.61 3.45 4.39 -0.82 -1.99 114.58 119.42 1pyg h GLU 461 Ca 0.03 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.85 1pyg h GLU 461 Cb 0.50 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1pyg h GLU 461 CO 0.03 0.19 0.42 0.82 -1.16 0.00 0.00 179.01 179.31 1pyg h ILE 462 N 0.20 0.81 -0.04 3.13 2.04 -0.30 0.16 117.51 123.52 1pyg h ILE 462 Ca 0.06 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1pyg h ILE 462 Cb 0.01 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1pyg h ILE 462 CO -0.01 0.05 -0.01 -0.07 0.00 0.00 0.00 178.15 178.11 1pyg h LEU 463 N 0.26 0.07 -1.29 1.44 3.38 -0.64 -0.53 115.31 118.00 1pyg h LEU 463 Ca 0.29 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1pyg h LEU 463 Cb 0.79 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1pyg h LEU 463 CO -0.06 0.41 -0.02 0.11 0.09 0.00 0.00 178.44 178.97 1pyg h LYS 464 N -0.27 0.45 0.00 1.13 1.57 -0.62 -0.59 116.57 118.23 1pyg h LYS 464 Ca 0.01 -0.09 -0.31 0.00 -1.87 0.00 0.00 60.65 58.38 1pyg h LYS 464 Cb 0.38 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.57 1pyg h LYS 464 CO 0.00 0.50 -2.27 1.63 -0.57 0.00 0.00 179.45 178.74 1pyg n LYS 465 N -4.29 0.87 0.00 3.15 4.76 0.45 -4.13 118.16 118.97 1pyg n LYS 465 Ca 0.01 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 1pyg n LYS 465 Cb 0.24 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1pyg n LYS 465 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1pyg n THR 466 N -2.65 0.00 0.25 -0.18 -2.24 -0.51 -4.65 114.28 104.30 1pyg n THR 466 Ca -0.28 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.34 1pyg n THR 466 Cb 1.06 -0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 68.74 1pyg n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1pyg h ILE 467 N 0.00 0.56 -1.03 2.28 2.04 -1.23 -3.31 117.51 116.82 1pyg h ILE 467 Ca 0.00 -0.11 -0.53 0.00 1.00 0.00 0.00 64.86 65.22 1pyg h ILE 467 Cb 0.27 0.62 -0.42 0.00 -0.74 0.00 0.00 36.82 36.54 1pyg h ILE 467 CO 0.00 0.02 -0.83 0.49 0.00 0.00 0.00 178.15 177.83 1pyg n PHE 468 N -5.32 2.80 0.05 1.37 3.72 -0.23 -4.90 117.46 114.95 1pyg n PHE 468 Ca -0.11 -2.59 0.05 0.00 -0.05 0.00 0.00 57.45 54.74 1pyg n PHE 468 Cb 0.27 -0.24 0.46 0.00 -0.94 0.00 0.00 39.48 39.03 1pyg n PHE 468 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1pyg h LYS 469 N 2.41 0.43 0.00 -1.08 2.10 -1.66 -1.03 116.57 117.75 1pyg h LYS 469 Ca 0.28 -0.03 -0.15 0.00 -2.00 0.00 0.00 60.65 58.75 1pyg h LYS 469 Cb 1.26 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.48 1pyg h LYS 469 CO 0.74 0.29 -0.69 -0.44 -2.00 0.00 0.00 179.45 177.35 1pyg h ASP 470 N 0.45 0.00 0.42 7.07 3.32 -1.90 0.21 116.42 125.98 1pyg h ASP 470 Ca 0.12 0.00 -0.23 0.00 0.02 0.00 0.00 57.03 56.94 1pyg h ASP 470 Cb -0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1pyg h ASP 470 CO -0.03 0.69 -0.97 -0.26 -1.72 0.00 0.00 179.24 176.96 1pyg h PHE 471 N 0.00 0.54 -0.32 4.55 0.04 -1.70 -0.79 116.94 119.27 1pyg h PHE 471 Ca -0.01 -0.31 -0.11 0.00 2.80 0.00 0.00 57.97 60.34 1pyg h PHE 471 Cb 1.23 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 1pyg h PHE 471 CO 0.00 1.14 -0.24 -0.92 -0.60 0.00 0.00 178.31 177.69 1pyg h TYR 472 N 0.19 0.85 -0.31 -0.55 3.20 -0.86 0.73 116.97 120.22 1pyg h TYR 472 Ca -0.08 -0.24 -0.02 0.00 3.14 0.00 0.00 58.73 61.53 1pyg h TYR 472 Cb 1.62 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 1pyg h TYR 472 CO 0.06 0.97 0.12 0.93 -1.64 0.00 0.00 178.16 178.59 1pyg h GLU 473 N 0.48 0.46 -0.79 1.82 5.08 -0.54 -1.89 114.58 119.20 1pyg h GLU 473 Ca 0.06 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1pyg h GLU 473 Cb 0.79 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 1pyg h GLU 473 CO 0.06 0.48 0.35 1.25 -1.00 0.00 0.00 179.01 180.15 1pyg h LEU 474 N 0.34 1.06 -5.47 1.33 5.85 -1.12 -3.40 115.31 113.90 1pyg h LEU 474 Ca 0.10 -0.14 -0.37 0.00 0.84 0.00 0.00 57.88 58.31 1pyg h LEU 474 Cb 0.20 -0.27 -0.26 0.00 0.37 0.00 0.00 40.66 40.69 1pyg h LEU 474 CO -0.01 0.91 -0.79 -1.84 -0.34 0.00 0.00 178.44 176.38 1pyg n GLU 475 N -4.30 0.81 -0.33 1.25 0.28 0.25 -5.02 120.64 113.58 1pyg n GLU 475 Ca 0.07 -2.48 0.16 0.00 -0.16 0.00 0.00 57.16 54.75 1pyg n GLU 475 Cb 0.16 -1.35 0.38 0.00 1.43 0.00 0.00 31.44 32.07 1pyg n GLU 475 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1pyg h PRO 476 N 3.74 0.62 -0.10 3.44 0.13 -1.52 -2.15 132.00 136.16 1pyg h PRO 476 Ca -0.04 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 65.09 1pyg h PRO 476 Cb 0.98 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1pyg h PRO 476 CO 0.37 0.41 0.44 1.12 -0.23 0.00 0.00 178.00 180.11 1pyg h HIS 477 N 0.64 0.00 0.00 1.56 2.07 -1.95 -1.89 115.15 115.58 1pyg h HIS 477 Ca 0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 1pyg h HIS 477 Cb 1.06 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.04 1pyg h HIS 477 CO -0.00 0.00 -0.62 0.36 -3.07 0.00 0.00 177.93 174.59 1pyg n LYS 478 N -3.01 0.11 -2.98 5.12 2.85 -0.81 -4.89 118.16 114.56 1pyg n LYS 478 Ca 0.00 0.02 -0.40 0.00 -1.05 0.00 0.00 58.31 56.89 1pyg n LYS 478 Cb 0.51 -1.56 -0.06 0.00 -0.65 0.00 0.00 35.03 33.28 1pyg n LYS 478 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1pyg s PHE 479 N -3.07 3.84 0.23 5.58 0.40 -0.71 -0.93 117.98 123.32 1pyg s PHE 479 Ca 0.09 1.58 -0.05 0.00 -0.60 0.00 0.00 56.93 57.94 1pyg s PHE 479 Cb 0.16 -2.79 -0.02 0.00 0.51 0.00 0.00 43.02 40.88 1pyg s PHE 479 CO 0.72 0.42 0.30 -0.65 0.70 0.00 0.00 175.22 176.71 1pyg s GLN 480 N -0.71 1.41 -0.03 0.44 -0.21 0.63 -4.92 119.66 116.28 1pyg s GLN 480 Ca 0.37 -1.50 0.02 0.00 0.02 0.00 0.00 55.36 54.26 1pyg s GLN 480 Cb -0.22 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.16 1pyg s GLN 480 CO 0.25 -0.53 -0.06 1.21 -2.12 0.00 0.00 175.29 174.04 1pyg s ASN 481 N -3.12 0.95 -0.22 5.90 2.47 -1.26 -2.02 114.94 117.64 1pyg s ASN 481 Ca 0.32 -0.14 -0.03 0.00 0.42 0.00 0.00 52.86 53.43 1pyg s ASN 481 Cb 0.03 -0.34 0.07 0.00 -1.45 0.00 0.00 41.25 39.56 1pyg s ASN 481 CO 0.12 0.01 0.06 -0.54 -3.72 0.00 0.00 177.10 173.02 1pyg s LYS 482 N 0.48 0.60 0.37 0.43 -0.14 -0.58 -4.94 119.74 115.96 1pyg s LYS 482 Ca -0.07 -0.54 -0.27 0.00 -1.36 0.00 0.00 55.97 53.74 1pyg s LYS 482 Cb -0.10 -2.00 -0.09 0.00 -1.68 0.00 0.00 37.83 33.96 1pyg s LYS 482 CO 0.00 -0.74 1.20 0.99 -0.76 0.00 0.00 175.35 176.04 1pyg s THR 483 N 1.85 3.07 0.98 2.17 2.01 -1.26 -3.87 115.64 120.59 1pyg s THR 483 Ca 0.02 0.96 -0.11 0.00 0.31 0.00 0.00 61.69 62.87 1pyg s THR 483 Cb -0.17 -3.57 0.18 0.00 0.01 0.00 0.00 72.50 68.96 1pyg s THR 483 CO -0.14 0.14 1.09 0.20 -0.69 0.00 0.00 174.62 175.23 1pyg s ASN 484 N -0.94 2.51 0.28 3.53 0.02 -0.71 -4.66 114.94 114.97 1pyg s ASN 484 Ca 0.54 1.78 -0.04 0.00 -1.02 0.00 0.00 52.86 54.12 1pyg s ASN 484 Cb -0.33 -2.38 -0.01 0.00 0.02 0.00 0.00 41.25 38.54 1pyg s ASN 484 CO 0.43 -3.29 0.37 -0.83 0.02 0.00 0.00 177.10 173.80 1pyg s GLY 485 N -2.85 1.29 0.15 0.66 0.00 -1.26 -4.82 107.32 100.49 1pyg s GLY 485 Ca 0.66 -1.44 0.06 0.00 0.00 0.00 0.00 44.72 44.01 1pyg s GLY 485 CO 0.60 -1.04 -0.14 -0.26 0.00 0.00 0.00 173.10 172.27 1pyg s ILE 486 N -3.62 1.42 -0.23 0.90 -4.36 0.24 -4.52 121.20 111.02 1pyg s ILE 486 Ca 0.31 -1.89 -0.22 0.00 -0.26 0.00 0.00 60.65 58.59 1pyg s ILE 486 Cb 0.02 -1.71 -0.02 0.00 1.25 0.00 0.00 42.46 42.00 1pyg s ILE 486 CO 0.16 -0.50 0.71 0.28 0.24 0.00 0.00 174.94 175.83 1pyg s THR 487 N -2.51 4.93 -0.56 8.37 -1.32 -1.26 -0.09 115.64 123.20 1pyg s THR 487 Ca 0.13 1.33 0.13 0.00 -1.21 0.00 0.00 61.69 62.07 1pyg s THR 487 Cb -0.03 -4.01 0.13 0.00 -1.51 0.00 0.00 72.50 67.08 1pyg s THR 487 CO 0.04 0.01 1.39 -0.81 -2.21 0.00 0.00 174.62 173.04 1pyg n PRO 488 N 5.64 0.08 -0.02 7.08 -0.04 -1.26 -1.69 135.00 144.79 1pyg n PRO 488 Ca 0.02 0.56 -0.01 0.00 -0.04 0.00 0.00 63.50 64.03 1pyg n PRO 488 Cb 0.49 -1.75 -0.00 0.00 -0.04 0.00 0.00 33.50 32.19 1pyg n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyg h ARG 489 N 0.00 -0.05 -0.40 0.54 -0.00 -1.92 -2.63 114.38 109.93 1pyg h ARG 489 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.46 1pyg h ARG 489 Cb 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 29.99 1pyg h ARG 489 CO 0.00 -0.03 0.15 -0.09 0.00 0.00 0.00 179.97 180.00 1pyg h ARG 490 N -0.83 0.60 -0.09 0.04 2.43 -1.96 -0.83 114.38 113.73 1pyg h ARG 490 Ca -0.01 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1pyg h ARG 490 Cb 0.04 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1pyg h ARG 490 CO 0.01 0.57 0.00 0.91 -1.51 0.00 0.00 179.97 179.95 1pyg n TRP 491 N -4.64 0.12 0.03 2.20 7.02 -0.68 -2.94 117.44 118.56 1pyg n TRP 491 Ca -0.00 -0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.42 1pyg n TRP 491 Cb 0.15 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 1pyg n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 1pyg n LEU 492 N -0.25 -0.35 0.24 -0.99 7.94 -1.09 -4.77 117.00 117.72 1pyg n LEU 492 Ca 0.10 0.12 0.12 0.00 -1.11 0.00 0.00 56.01 55.25 1pyg n LEU 492 Cb 0.14 0.52 0.53 0.00 0.53 0.00 0.00 43.42 45.14 1pyg n LEU 492 CO 0.08 -0.47 0.87 -0.37 -1.11 0.00 0.00 177.39 176.39 1pyg h VAL 493 N 0.00 0.36 0.03 1.96 -1.51 -1.08 0.32 116.25 116.32 1pyg h VAL 493 Ca 0.00 -0.90 -0.00 0.00 -1.23 0.00 0.00 66.70 64.57 1pyg h VAL 493 Cb 0.00 1.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 1pyg h VAL 493 CO 0.00 0.14 -0.01 0.25 -1.23 0.00 0.00 177.57 176.72 1pyg h LEU 494 N 0.00 -0.03 0.00 4.19 6.46 -1.30 -3.31 115.31 121.31 1pyg h LEU 494 Ca -0.00 -0.18 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1pyg h LEU 494 Cb 0.66 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1pyg h LEU 494 CO 0.02 0.56 -0.10 0.00 -0.62 0.00 0.00 178.44 178.29 1pyg n ASN 496 N -2.59 0.70 -0.30 0.00 4.05 0.11 -4.83 115.26 112.40 1pyg n ASN 496 Ca 0.05 -2.77 -0.05 0.00 0.45 0.00 0.00 54.58 52.26 1pyg n ASN 496 Cb 0.47 -0.63 0.07 0.00 1.23 0.00 0.00 39.78 40.92 1pyg n ASN 496 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1pyg h PRO 497 N 4.32 1.16 0.18 1.20 0.13 -1.70 -2.58 132.00 134.71 1pyg h PRO 497 Ca 0.12 -0.14 0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1pyg h PRO 497 Cb 0.85 -0.22 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 1pyg h PRO 497 CO 0.51 0.86 -0.43 0.78 -0.23 0.00 0.00 178.00 179.49 1pyg h GLY 498 N 1.15 -0.90 0.46 1.56 0.00 -1.92 0.75 103.07 104.16 1pyg h GLY 498 Ca 0.29 0.51 0.05 0.00 0.00 0.00 0.00 47.33 48.18 1pyg h GLY 498 CO -0.04 -0.28 -0.12 -2.00 0.00 0.00 0.00 176.54 174.10 1pyg h LEU 499 N -0.70 -0.38 -2.07 3.11 6.46 -1.92 -1.23 115.31 118.58 1pyg h LEU 499 Ca 0.01 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1pyg h LEU 499 Cb 0.70 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.83 1pyg h LEU 499 CO -0.21 -0.15 -0.06 0.00 -0.62 0.00 0.00 178.44 177.40 1pyg h ALA 500 N 1.04 1.67 -0.14 1.25 0.00 -1.21 -1.41 119.26 120.47 1pyg h ALA 500 Ca 0.11 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1pyg h ALA 500 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pyg h ALA 500 CO -0.26 0.07 -0.37 0.93 0.00 0.00 0.00 179.25 179.63 1pyg h GLU 501 N 0.00 0.49 -0.05 0.00 4.39 -0.05 -1.44 114.58 117.92 1pyg h GLU 501 Ca -0.00 -0.35 -0.18 0.00 0.34 0.00 0.00 59.36 59.17 1pyg h GLU 501 Cb 0.12 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1pyg h GLU 501 CO 0.01 0.96 -0.76 -0.84 -1.16 0.00 0.00 179.01 177.22 1pyg h ILE 502 N 0.11 1.41 0.03 3.13 3.07 -0.80 -2.96 117.51 121.50 1pyg h ILE 502 Ca -0.01 -2.25 -0.00 0.00 1.55 0.00 0.00 64.86 64.15 1pyg h ILE 502 Cb 0.98 2.20 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 1pyg h ILE 502 CO 0.08 0.67 -0.01 0.40 -1.05 0.00 0.00 178.15 178.23 1pyg h ILE 503 N 0.21 1.10 -0.87 0.16 2.04 -1.30 -3.26 117.51 115.59 1pyg h ILE 503 Ca -0.03 -0.39 0.04 0.00 1.00 0.00 0.00 64.86 65.47 1pyg h ILE 503 Cb 1.34 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.73 1pyg h ILE 503 CO 0.12 0.10 0.57 0.00 0.00 0.00 0.00 178.15 178.94 1pyg h ALA 504 N 0.76 1.48 0.00 1.87 0.00 -1.30 -1.02 119.26 121.05 1pyg h ALA 504 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pyg h ALA 504 Cb 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1pyg h ALA 504 CO 0.01 0.43 0.00 1.05 0.00 0.00 0.00 179.25 180.73 1pyg h GLU 505 N 1.06 0.00 0.00 0.00 4.11 -1.56 0.23 114.58 118.42 1pyg h GLU 505 Ca 0.35 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.59 1pyg h GLU 505 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1pyg h GLU 505 CO -0.11 0.00 -1.45 0.54 0.07 0.00 0.00 179.01 178.06 1pyg n ARG 506 N -3.04 0.54 -0.65 1.06 1.74 -0.49 -4.63 116.66 111.19 1pyg n ARG 506 Ca -0.02 0.35 0.08 0.00 -0.77 0.00 0.00 57.85 57.49 1pyg n ARG 506 Cb 0.16 -1.55 0.34 0.00 -1.02 0.00 0.00 32.46 30.39 1pyg n ARG 506 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1pyg n ILE 507 N -4.42 2.19 -4.08 0.55 -5.35 -0.59 -5.08 119.36 102.57 1pyg n ILE 507 Ca -0.29 -1.40 0.00 0.00 -0.27 0.00 0.00 62.75 60.79 1pyg n ILE 507 Cb 0.62 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.46 1pyg n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pyg n GLY 508 N 0.58 -1.58 0.32 3.28 0.00 0.79 -4.53 105.19 104.06 1pyg n GLY 508 Ca 0.25 -1.32 0.03 0.00 0.00 0.00 0.00 46.02 44.98 1pyg n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1pyg n GLU 509 N -0.06 2.00 0.23 1.61 1.02 -1.26 -4.12 120.64 120.06 1pyg n GLU 509 Ca 0.00 -1.52 0.16 0.00 -0.02 0.00 0.00 57.16 55.78 1pyg n GLU 509 Cb 0.00 -1.14 0.75 0.00 -0.02 0.00 0.00 31.44 31.03 1pyg n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1pyg h GLU 510 N 1.14 0.00 0.00 3.49 3.07 -1.96 -2.45 114.58 117.87 1pyg h GLU 510 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pyg h GLU 510 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1pyg h GLU 510 CO 0.00 0.00 0.00 0.10 -1.40 0.00 0.00 179.01 177.71 1pyg h TYR 511 N 0.00 0.00 0.00 4.33 -0.00 -1.80 -1.89 116.97 117.60 1pyg h TYR 511 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 1pyg h TYR 511 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.96 1pyg h TYR 511 CO 0.00 0.00 -0.30 0.82 -0.00 0.00 0.00 178.16 178.68 1pyg h ILE 512 N 0.00 0.68 -0.01 -0.90 2.04 -1.80 -1.89 117.51 115.63 1pyg h ILE 512 Ca 0.00 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1pyg h ILE 512 Cb 0.54 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.51 1pyg h ILE 512 CO 0.00 0.29 -0.07 -1.20 0.00 0.00 0.00 178.15 177.17 1pyg n SER 513 N -3.41 1.64 -3.32 1.72 7.64 -1.15 -4.75 113.62 111.98 1pyg n SER 513 Ca 0.00 -1.32 -0.26 0.00 1.01 0.00 0.00 58.87 58.31 1pyg n SER 513 Cb 0.49 0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.76 1pyg n SER 513 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1pyg n ASP 514 N 0.30 0.06 0.30 6.43 -0.08 -0.72 -5.02 116.55 117.82 1pyg n ASP 514 Ca 0.05 -2.58 0.19 0.00 -1.51 0.00 0.00 54.79 50.94 1pyg n ASP 514 Cb 0.24 -0.60 1.02 0.00 2.34 0.00 0.00 41.12 44.11 1pyg n ASP 514 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1pyg h LEU 515 N 4.84 0.00 -0.98 -2.67 5.85 -1.62 -1.32 115.31 119.41 1pyg h LEU 515 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1pyg h LEU 515 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1pyg h LEU 515 CO 0.44 0.00 0.00 0.47 -0.34 0.00 0.00 178.44 179.01 1pyg n ASP 516 N -3.44 0.40 0.28 1.25 8.00 -1.25 -0.94 116.55 120.85 1pyg n ASP 516 Ca -0.02 0.68 0.17 0.00 0.71 0.00 0.00 54.79 56.34 1pyg n ASP 516 Cb 0.15 -0.74 0.73 0.00 -0.02 0.00 0.00 41.12 41.24 1pyg n ASP 516 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1pyg h GLN 517 N 0.00 0.00 -0.05 -1.24 4.20 -1.56 -2.60 115.11 113.86 1pyg h GLN 517 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1pyg h GLN 517 Cb 0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 1pyg h GLN 517 CO 0.00 0.01 0.45 -0.07 -0.67 0.00 0.00 178.83 178.55 1pyg h LEU 518 N 0.00 0.00 -1.56 1.46 3.38 -1.28 0.43 115.31 117.74 1pyg h LEU 518 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyg h LEU 518 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1pyg h LEU 518 CO 0.00 0.00 0.00 0.03 0.09 0.00 0.00 178.44 178.56 1pyg h ARG 519 N 0.00 0.00 -0.28 1.13 3.08 -1.07 -1.97 114.38 115.27 1pyg h ARG 519 Ca 0.02 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1pyg h ARG 519 Cb 0.91 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 1pyg h ARG 519 CO -0.00 0.00 0.02 0.87 -1.07 0.00 0.00 179.97 179.79 1pyg h LYS 520 N 0.00 0.41 0.00 0.04 1.57 -1.15 -3.01 116.57 114.42 1pyg h LYS 520 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1pyg h LYS 520 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1pyg h LYS 520 CO 0.00 0.42 0.04 -0.07 -0.57 0.00 0.00 179.45 179.26 1pyg h LEU 521 N 0.40 0.00 -2.00 2.94 3.38 -1.56 0.09 115.31 118.55 1pyg h LEU 521 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1pyg h LEU 521 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1pyg h LEU 521 CO 0.00 0.00 -0.06 -0.07 0.09 0.00 0.00 178.44 178.41 1pyg h LEU 522 N 0.00 0.00 0.00 1.67 3.38 -1.74 0.19 115.31 118.81 1pyg h LEU 522 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyg h LEU 522 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1pyg h LEU 522 CO 0.00 0.06 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 1pyg n SER 523 N -4.27 0.00 -0.07 -0.43 7.64 0.02 -2.07 113.62 114.44 1pyg n SER 523 Ca -0.03 0.48 0.08 0.00 1.01 0.00 0.00 58.87 60.41 1pyg n SER 523 Cb 0.14 -0.48 0.12 0.00 -1.01 0.00 0.00 64.21 62.98 1pyg n SER 523 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1pyg n TYR 524 N -1.48 0.00 0.22 1.43 4.01 0.05 -4.73 117.16 116.66 1pyg n TYR 524 Ca 0.00 -0.91 0.07 0.00 -0.16 0.00 0.00 57.90 56.90 1pyg n TYR 524 Cb 0.01 -0.13 0.32 0.00 -0.31 0.00 0.00 39.34 39.23 1pyg n TYR 524 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1pyg n VAL 525 N -1.28 1.31 -0.11 -0.72 0.24 -0.88 -2.02 118.33 114.88 1pyg n VAL 525 Ca 0.13 0.47 0.00 0.00 -2.04 0.00 0.00 64.34 62.90 1pyg n VAL 525 Cb 0.59 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.55 1pyg n VAL 525 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1pyg n ASP 526 N -1.85 1.49 -4.58 -1.34 8.00 -1.26 -4.88 116.55 112.13 1pyg n ASP 526 Ca 0.01 -1.60 -0.43 0.00 0.71 0.00 0.00 54.79 53.48 1pyg n ASP 526 Cb 0.09 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 1pyg n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pyg s ASP 527 N -0.60 6.57 0.48 -2.24 -1.08 -0.86 -4.90 116.67 114.04 1pyg s ASP 527 Ca 0.00 0.30 0.18 0.00 -0.52 0.00 0.00 52.55 52.51 1pyg s ASP 527 Cb 0.00 -2.47 1.19 0.00 -1.46 0.00 0.00 42.92 40.18 1pyg s ASP 527 CO 0.00 -1.04 2.01 -0.33 0.52 0.00 0.00 175.17 176.33 1pyg h GLU 528 N 8.95 0.20 -0.19 4.34 4.39 -1.94 -0.67 114.58 129.66 1pyg h GLU 528 Ca -0.24 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.34 1pyg h GLU 528 Cb 1.07 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1pyg h GLU 528 CO 1.03 0.13 -0.33 0.00 -1.16 0.00 0.00 179.01 178.69 1pyg h ALA 529 N 1.76 0.29 -0.14 3.43 0.00 -1.96 -1.91 119.26 120.73 1pyg h ALA 529 Ca 0.23 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1pyg h ALA 529 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pyg h ALA 529 CO -0.04 0.33 -0.52 0.35 0.00 0.00 0.00 179.25 179.37 1pyg h PHE 530 N 0.21 0.48 0.17 0.00 3.57 -1.70 -1.15 116.94 118.51 1pyg h PHE 530 Ca 0.01 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.34 1pyg h PHE 530 Cb 0.91 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1pyg h PHE 530 CO 0.09 0.83 -0.08 0.82 -2.23 0.00 0.00 178.31 177.74 1pyg h ILE 531 N 0.30 0.85 -0.67 1.41 2.04 -1.15 0.11 117.51 120.41 1pyg h ILE 531 Ca 0.01 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1pyg h ILE 531 Cb 1.01 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1pyg h ILE 531 CO 0.09 0.02 0.35 -0.09 0.00 0.00 0.00 178.15 178.52 1pyg h ARG 532 N -0.26 0.93 -0.31 2.37 1.12 -1.13 -1.40 114.38 115.70 1pyg h ARG 532 Ca -0.02 -0.10 -0.11 0.00 -1.11 0.00 0.00 59.98 58.63 1pyg h ARG 532 Cb 0.20 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.97 1pyg h ARG 532 CO 0.04 0.69 -0.24 -0.44 -3.11 0.00 0.00 179.97 176.91 1pyg h ASP 533 N 0.93 0.75 -0.81 -3.80 3.32 -0.71 -1.72 116.42 114.38 1pyg h ASP 533 Ca 0.24 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.85 1pyg h ASP 533 Cb 0.04 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.34 1pyg h ASP 533 CO -0.04 1.03 0.53 0.58 -1.72 0.00 0.00 179.24 179.63 1pyg h VAL 534 N 0.47 1.21 -0.48 -1.35 2.07 -0.06 0.71 116.25 118.82 1pyg h VAL 534 Ca 0.06 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 1pyg h VAL 534 Cb 0.80 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1pyg h VAL 534 CO 0.06 0.21 0.06 0.00 0.02 0.00 0.00 177.57 177.92 1pyg h ALA 535 N 1.29 1.21 -0.26 1.67 0.00 -1.22 -2.82 119.26 119.14 1pyg h ALA 535 Ca 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1pyg h ALA 535 Cb -0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1pyg h ALA 535 CO -0.06 0.53 -0.00 -0.22 0.00 0.00 0.00 179.25 179.50 1pyg h LYS 536 N 0.72 0.45 -0.62 0.00 3.64 0.04 -1.74 116.57 119.07 1pyg h LYS 536 Ca 0.15 -0.15 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1pyg h LYS 536 Cb 0.35 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 1pyg h LYS 536 CO 0.01 0.63 0.32 0.28 -2.27 0.00 0.00 179.45 178.41 1pyg h VAL 537 N 0.23 0.92 -0.29 2.00 2.07 -0.96 -0.25 116.25 119.96 1pyg h VAL 537 Ca 0.07 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.25 1pyg h VAL 537 Cb 0.42 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1pyg h VAL 537 CO 0.01 0.11 -0.38 0.50 0.02 0.00 0.00 177.57 177.83 1pyg h LYS 538 N 0.58 0.68 -0.43 1.57 1.63 -1.21 -1.74 116.57 117.65 1pyg h LYS 538 Ca 0.28 -0.34 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 1pyg h LYS 538 Cb 0.22 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1pyg h LYS 538 CO -0.20 0.95 -0.17 0.37 -3.45 0.00 0.00 179.45 176.95 1pyg h GLN 539 N 0.56 0.82 -0.27 1.90 5.75 -0.35 -1.03 115.11 122.50 1pyg h GLN 539 Ca 0.05 -0.31 0.02 0.00 -0.15 0.00 0.00 58.65 58.26 1pyg h GLN 539 Cb 0.90 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.38 1pyg h GLN 539 CO 0.08 0.93 0.13 0.93 -2.65 0.00 0.00 178.83 178.25 1pyg h GLU 540 N 0.73 0.26 -0.60 1.69 5.08 -0.84 -1.15 114.58 119.75 1pyg h GLU 540 Ca 0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1pyg h GLU 540 Cb 0.68 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1pyg h GLU 540 CO 0.05 0.17 0.33 -0.91 -1.00 0.00 0.00 179.01 177.66 1pyg h ASN 541 N 0.27 0.73 -0.24 1.42 -0.26 -0.88 -0.83 115.58 115.79 1pyg h ASN 541 Ca 0.11 -0.05 -0.13 0.00 -0.56 0.00 0.00 56.30 55.67 1pyg h ASN 541 Cb 0.04 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.11 1pyg h ASN 541 CO -0.08 0.59 -0.38 0.11 -1.06 0.00 0.00 177.43 176.61 1pyg h LYS 542 N 0.83 0.68 -0.70 0.81 1.57 -0.82 -2.14 116.57 116.80 1pyg h LYS 542 Ca 0.21 -0.41 0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1pyg h LYS 542 Cb 0.01 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1pyg h LYS 542 CO -0.04 1.03 0.43 -0.07 -0.57 0.00 0.00 179.45 180.24 1pyg h LEU 543 N 0.39 0.71 -0.52 2.94 -0.00 -0.73 -0.18 115.31 117.92 1pyg h LEU 543 Ca 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 1pyg h LEU 543 Cb 0.97 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 41.45 1pyg h LEU 543 CO 0.09 0.49 0.26 0.50 -0.00 0.00 0.00 178.44 179.78 1pyg h LYS 544 N 0.85 0.75 -0.31 1.13 3.64 -1.11 -1.54 116.57 119.98 1pyg h LYS 544 Ca 0.28 -0.11 -0.13 0.00 -1.27 0.00 0.00 60.65 59.43 1pyg h LYS 544 Cb 0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1pyg h LYS 544 CO -0.11 0.62 -0.32 0.35 -2.27 0.00 0.00 179.45 177.71 1pyg h PHE 545 N 0.70 0.77 -0.84 1.91 3.57 -0.75 -1.45 116.94 120.86 1pyg h PHE 545 Ca 0.18 -0.20 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1pyg h PHE 545 Cb 0.11 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.63 1pyg h PHE 545 CO -0.01 0.90 0.42 0.00 -2.23 0.00 0.00 178.31 177.39 1pyg h ALA 546 N 1.08 1.09 -0.47 2.41 0.00 -0.81 -1.70 119.26 120.85 1pyg h ALA 546 Ca 0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pyg h ALA 546 Cb 0.83 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1pyg h ALA 546 CO 0.07 0.64 0.22 0.00 0.00 0.00 0.00 179.25 180.18 1pyg h ALA 547 N 1.22 0.61 0.68 0.00 0.00 -0.49 -1.20 119.26 120.08 1pyg h ALA 547 Ca 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1pyg h ALA 547 Cb 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1pyg h ALA 547 CO -0.04 0.18 -0.35 -0.92 0.00 0.00 0.00 179.25 178.13 1pyg h TYR 548 N 0.62 -0.91 -0.84 0.00 5.03 -1.04 -1.61 116.97 118.23 1pyg h TYR 548 Ca 0.16 -0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.57 1pyg h TYR 548 Cb 0.14 0.31 -0.06 0.00 1.55 0.00 0.00 36.73 38.66 1pyg h TYR 548 CO -0.01 -0.55 0.54 -0.07 -1.32 0.00 0.00 178.16 176.76 1pyg h LEU 549 N -0.94 0.67 0.25 2.82 3.38 -1.11 -0.08 115.31 120.29 1pyg h LEU 549 Ca -0.09 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1pyg h LEU 549 Cb 0.73 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1pyg h LEU 549 CO 0.14 0.38 -0.15 -0.08 0.09 0.00 0.00 178.44 178.82 1pyg h GLU 550 N 0.73 -0.36 -0.01 1.13 4.22 -1.13 0.21 114.58 119.37 1pyg h GLU 550 Ca 0.40 0.02 -0.16 0.00 0.08 0.00 0.00 59.36 59.70 1pyg h GLU 550 Cb 0.54 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 1pyg h GLU 550 CO -0.16 -0.24 -0.74 0.07 -2.18 0.00 0.00 179.01 175.75 1pyg h ARG 551 N -0.38 0.09 0.00 1.92 0.11 -0.73 -2.79 114.38 112.59 1pyg h ARG 551 Ca -0.03 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.97 1pyg h ARG 551 Cb 0.31 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.41 1pyg h ARG 551 CO 0.03 0.79 0.00 0.39 0.10 0.00 0.00 179.97 181.28 1pyg n GLU 552 N -3.70 0.00 0.00 0.08 -0.58 -0.09 -4.58 120.64 111.76 1pyg n GLU 552 Ca -0.02 0.10 0.15 0.00 -0.42 0.00 0.00 57.16 56.97 1pyg n GLU 552 Cb 0.72 -0.51 0.75 0.00 -0.57 0.00 0.00 31.44 31.83 1pyg n GLU 552 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1pyg n TYR 553 N -1.11 0.00 -3.27 -0.32 4.01 0.55 -4.89 117.16 112.12 1pyg n TYR 553 Ca 0.00 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 1pyg n TYR 553 Cb 0.00 -0.18 0.08 0.00 -0.31 0.00 0.00 39.34 38.93 1pyg n TYR 553 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1pyg n LYS 554 N -1.07 -5.90 -4.30 -0.72 4.81 -0.13 -4.98 118.16 105.88 1pyg n LYS 554 Ca 0.17 0.75 -0.27 0.00 -0.87 0.00 0.00 58.31 58.09 1pyg n LYS 554 Cb 0.23 -5.48 -0.10 0.00 0.02 0.00 0.00 35.03 29.70 1pyg n LYS 554 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1pyg s VAL 555 N -3.32 3.12 -0.24 3.15 -7.23 -1.21 -4.95 120.40 109.73 1pyg s VAL 555 Ca 0.02 -1.64 0.02 0.00 -1.81 0.00 0.00 61.98 58.56 1pyg s VAL 555 Cb -0.01 -2.53 0.04 0.00 0.56 0.00 0.00 36.38 34.45 1pyg s VAL 555 CO 0.65 -0.08 -0.12 -1.00 -0.31 0.00 0.00 175.10 174.24 1pyg s HIS 556 N -1.63 3.11 0.20 2.82 3.76 -1.26 -3.44 115.29 118.85 1pyg s HIS 556 Ca 0.24 -2.02 0.11 0.00 -0.15 0.00 0.00 55.06 53.24 1pyg s HIS 556 Cb -0.09 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.60 1pyg s HIS 556 CO 0.14 -0.84 -0.21 0.96 -0.85 0.00 0.00 174.74 173.95 1pyg s ILE 557 N 1.19 2.52 -0.39 0.60 -4.36 -1.26 -5.10 121.20 114.40 1pyg s ILE 557 Ca -0.04 -1.99 -0.20 0.00 -0.26 0.00 0.00 60.65 58.16 1pyg s ILE 557 Cb -0.18 -2.22 0.01 0.00 1.25 0.00 0.00 42.46 41.32 1pyg s ILE 557 CO -0.07 -0.13 0.63 0.21 0.24 0.00 0.00 174.94 175.82 1pyg s ASN 558 N -2.76 6.37 0.00 4.36 2.47 -1.26 -4.94 114.94 119.19 1pyg s ASN 558 Ca 0.22 -0.07 0.07 0.00 0.42 0.00 0.00 52.86 53.50 1pyg s ASN 558 Cb -0.08 -2.32 0.41 0.00 -1.45 0.00 0.00 41.25 37.81 1pyg s ASN 558 CO 0.11 -0.66 0.83 -0.81 -3.72 0.00 0.00 177.10 172.85 1pyg n PRO 559 N 6.12 0.42 -0.11 0.43 -0.04 -1.26 -2.39 135.00 138.17 1pyg n PRO 559 Ca -0.02 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.51 1pyg n PRO 559 Cb 0.48 -1.25 0.12 0.00 -0.04 0.00 0.00 33.50 32.81 1pyg n PRO 559 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pyg n ASN 560 N -0.75 2.65 -4.92 3.54 5.03 -1.26 -4.81 115.26 114.74 1pyg n ASN 560 Ca 0.05 -1.79 -0.27 0.00 0.87 0.00 0.00 54.58 53.45 1pyg n ASN 560 Cb 0.02 -0.14 0.05 0.00 -1.02 0.00 0.00 39.78 38.69 1pyg n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1pyg s SER 561 N -1.09 5.21 -0.22 6.41 1.04 -1.01 -4.87 113.70 119.17 1pyg s SER 561 Ca 0.23 0.67 -0.26 0.00 0.48 0.00 0.00 55.95 57.07 1pyg s SER 561 Cb 0.13 -1.47 -0.00 0.00 0.10 0.00 0.00 66.02 64.78 1pyg s SER 561 CO 0.19 -1.35 0.87 -0.22 0.98 0.00 0.00 173.24 173.71 1pyg s LEU 562 N -5.17 4.10 -0.54 2.42 2.96 0.80 -4.83 118.68 118.44 1pyg s LEU 562 Ca 0.57 1.13 -0.23 0.00 -0.22 0.00 0.00 54.13 55.38 1pyg s LEU 562 Cb -0.11 -3.27 0.04 0.00 0.50 0.00 0.00 46.19 43.36 1pyg s LEU 562 CO 0.46 -0.52 0.88 -0.36 -1.32 0.00 0.00 176.35 175.48 1pyg s PHE 563 N 2.78 2.85 -0.49 5.38 0.40 -1.26 -1.06 117.98 126.58 1pyg s PHE 563 Ca 0.37 -0.10 -0.16 0.00 -0.60 0.00 0.00 56.93 56.45 1pyg s PHE 563 Cb -0.15 -3.96 0.08 0.00 0.51 0.00 0.00 43.02 39.49 1pyg s PHE 563 CO 0.08 -1.28 0.46 0.34 0.70 0.00 0.00 175.22 175.53 1pyg s ASP 564 N 2.78 6.17 -0.19 1.36 2.15 0.07 -0.17 116.67 128.83 1pyg s ASP 564 Ca 0.28 -1.30 -0.04 0.00 0.43 0.00 0.00 52.55 51.92 1pyg s ASP 564 Cb -0.14 -2.21 -0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1pyg s ASP 564 CO 0.18 -0.73 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.72 1pyg s VAL 565 N 1.87 3.65 -0.33 1.11 1.01 -0.66 -1.69 120.40 125.36 1pyg s VAL 565 Ca 0.06 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.66 1pyg s VAL 565 Cb -0.24 -2.64 0.10 0.00 0.00 0.00 0.00 36.38 33.60 1pyg s VAL 565 CO 0.07 0.45 0.04 -1.58 0.00 0.00 0.00 175.10 174.08 1pyg s GLN 566 N 0.99 1.49 -0.30 2.72 0.74 -0.14 -1.88 119.66 123.27 1pyg s GLN 566 Ca 0.01 -1.78 0.03 0.00 0.05 0.00 0.00 55.36 53.67 1pyg s GLN 566 Cb -0.15 -3.10 0.08 0.00 1.10 0.00 0.00 33.01 30.94 1pyg s GLN 566 CO 0.01 -0.91 -0.03 0.14 -0.55 0.00 0.00 175.29 173.95 1pyg s VAL 567 N 0.96 2.22 0.26 1.34 -7.23 -1.26 -1.75 120.40 114.95 1pyg s VAL 567 Ca 0.09 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.12 1pyg s VAL 567 Cb -0.19 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.27 1pyg s VAL 567 CO -0.09 -0.31 0.57 -0.54 -0.31 0.00 0.00 175.10 174.42 1pyg s LYS 568 N 1.00 1.65 0.21 4.82 -0.14 -1.11 -4.97 119.74 121.21 1pyg s LYS 568 Ca 0.01 -1.17 -0.30 0.00 -1.36 0.00 0.00 55.97 53.14 1pyg s LYS 568 Cb -0.20 0.52 -0.09 0.00 -1.68 0.00 0.00 37.83 36.38 1pyg s LYS 568 CO -0.06 -0.71 1.39 -0.98 -0.76 0.00 0.00 175.35 174.22 1pyg s ARG 569 N -3.95 4.32 -0.27 1.68 1.70 -1.26 -4.38 118.95 116.78 1pyg s ARG 569 Ca 0.19 2.19 -0.29 0.00 -0.47 0.00 0.00 55.73 57.35 1pyg s ARG 569 Cb -0.03 -3.16 -0.02 0.00 -0.57 0.00 0.00 34.95 31.18 1pyg s ARG 569 CO 0.09 -0.37 1.67 0.42 -1.08 0.00 0.00 175.30 176.03 1pyg s ILE 570 N 0.20 3.62 -0.13 4.99 -1.09 -0.58 -4.83 121.20 123.38 1pyg s ILE 570 Ca 0.59 0.67 -0.20 0.00 -2.23 0.00 0.00 60.65 59.48 1pyg s ILE 570 Cb -0.39 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1pyg s ILE 570 CO 0.39 -0.37 0.52 -2.28 -1.23 0.00 0.00 174.94 171.96 1pyg s HIS 571 N 5.85 -0.51 0.16 3.97 2.46 -1.26 -4.62 115.29 121.33 1pyg s HIS 571 Ca 0.74 1.12 -0.16 0.00 0.47 0.00 0.00 55.06 57.23 1pyg s HIS 571 Cb -0.23 0.22 0.08 0.00 -0.13 0.00 0.00 32.58 32.52 1pyg s HIS 571 CO 0.31 -0.37 1.72 0.93 -2.47 0.00 0.00 174.74 174.86 1pyg h GLU 572 N 4.52 0.15 0.00 2.88 5.08 -1.95 -0.18 114.58 125.07 1pyg h GLU 572 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1pyg h GLU 572 Cb 1.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1pyg h GLU 572 CO 0.26 0.10 0.00 2.48 -1.00 0.00 0.00 179.01 180.85 1pyg n TYR 573 N -5.13 0.49 0.17 4.33 4.11 -1.26 -1.57 117.16 118.30 1pyg n TYR 573 Ca 0.02 0.25 0.07 0.00 -0.00 0.00 0.00 57.90 58.24 1pyg n TYR 573 Cb 0.17 -0.90 0.09 0.00 -0.00 0.00 0.00 39.34 38.70 1pyg n TYR 573 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1pyg h LYS 574 N 0.00 0.00 -5.93 -3.48 1.79 -1.35 -3.24 116.57 104.36 1pyg h LYS 574 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 1pyg h LYS 574 Cb 0.02 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.77 1pyg h LYS 574 CO 0.00 0.28 -0.77 0.54 -1.08 0.00 0.00 179.45 178.41 1pyg n ARG 575 N -3.17 -6.13 0.18 3.15 1.74 -0.61 -4.09 116.66 107.74 1pyg n ARG 575 Ca 0.03 0.73 0.13 0.00 -0.77 0.00 0.00 57.85 57.97 1pyg n ARG 575 Cb 0.64 -5.58 0.70 0.00 -1.02 0.00 0.00 32.46 27.20 1pyg n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1pyg h GLN 576 N -2.06 0.00 -0.11 5.56 7.50 -1.84 -0.50 115.11 123.66 1pyg h GLN 576 Ca -0.59 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.53 1pyg h GLN 576 Cb 1.36 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.88 1pyg h GLN 576 CO 0.56 0.00 -0.04 -0.07 -1.50 0.00 0.00 178.83 177.78 1pyg h LEU 577 N 0.00 0.14 0.04 1.46 4.07 -1.91 -0.11 115.31 119.00 1pyg h LEU 577 Ca 0.08 -0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1pyg h LEU 577 Cb 0.36 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.06 1pyg h LEU 577 CO -0.00 0.21 -0.02 -0.07 -1.08 0.00 0.00 178.44 177.48 1pyg h LEU 578 N 0.15 -0.04 -0.93 1.67 3.38 -1.47 -2.41 115.31 115.67 1pyg h LEU 578 Ca 0.04 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 57.87 1pyg h LEU 578 Cb 0.18 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1pyg h LEU 578 CO 0.01 0.24 0.55 -1.13 0.09 0.00 0.00 178.44 178.19 1pyg h ASN 579 N -0.33 0.78 -0.32 -0.43 -0.00 -1.31 -1.25 115.58 112.72 1pyg h ASN 579 Ca -0.01 0.06 0.03 0.00 -0.00 0.00 0.00 56.30 56.39 1pyg h ASN 579 Cb 0.30 -0.09 -0.03 0.00 -0.00 0.00 0.00 38.32 38.50 1pyg h ASN 579 CO 0.01 0.40 0.11 0.00 -0.00 0.00 0.00 177.43 177.95 1pyg h LEU 581 N 0.25 0.53 -0.37 0.00 4.07 -0.75 -1.40 115.31 117.64 1pyg h LEU 581 Ca 0.14 -0.06 -0.09 0.00 0.08 0.00 0.00 57.88 57.96 1pyg h LEU 581 Cb 0.11 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1pyg h LEU 581 CO -0.15 0.49 -0.11 -0.74 -1.08 0.00 0.00 178.44 176.85 1pyg h HIS 582 N 0.58 0.82 -0.12 1.13 2.76 -1.05 -1.15 115.15 118.11 1pyg h HIS 582 Ca 0.14 -0.18 -0.14 0.00 -2.20 0.00 0.00 60.37 57.99 1pyg h HIS 582 Cb 0.13 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1pyg h HIS 582 CO 0.01 0.88 -0.54 -0.39 -1.30 0.00 0.00 177.93 176.59 1pyg h VAL 583 N 0.52 1.35 -0.36 5.26 -1.51 -0.72 -1.00 116.25 119.79 1pyg h VAL 583 Ca 0.09 -1.81 -0.12 0.00 -1.23 0.00 0.00 66.70 63.63 1pyg h VAL 583 Cb 0.63 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1pyg h VAL 583 CO 0.04 0.55 -0.26 0.40 -1.23 0.00 0.00 177.57 177.07 1pyg h ILE 584 N 0.28 1.27 -0.65 7.19 2.04 -1.29 -0.25 117.51 126.10 1pyg h ILE 584 Ca 0.01 -1.38 0.10 0.00 1.00 0.00 0.00 64.86 64.59 1pyg h ILE 584 Cb 1.04 1.27 -0.08 0.00 -0.74 0.00 0.00 36.82 38.31 1pyg h ILE 584 CO 0.09 0.46 0.25 0.74 0.00 0.00 0.00 178.15 179.69 1pyg h THR 585 N 0.64 0.75 -0.23 -0.27 2.02 -0.61 0.50 112.91 115.71 1pyg h THR 585 Ca 0.08 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1pyg h THR 585 Cb 0.77 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1pyg h THR 585 CO 0.06 0.08 0.07 -0.07 0.37 0.00 0.00 175.52 176.03 1pyg h LEU 586 N 0.43 0.33 -0.01 2.58 4.07 -0.72 -0.39 115.31 121.60 1pyg h LEU 586 Ca 0.34 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 58.09 1pyg h LEU 586 Cb 0.43 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 1pyg h LEU 586 CO -0.33 0.45 0.00 0.22 -1.08 0.00 0.00 178.44 177.71 1pyg h TYR 587 N 0.20 0.01 -0.37 1.13 3.20 -0.35 -0.62 116.97 120.16 1pyg h TYR 587 Ca 0.07 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 1pyg h TYR 587 Cb 0.24 -0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 1pyg h TYR 587 CO 0.00 0.11 0.10 -0.91 -1.64 0.00 0.00 178.16 175.82 1pyg h ASN 588 N -0.08 0.49 -0.17 -2.11 -0.26 -0.89 -0.23 115.58 112.33 1pyg h ASN 588 Ca 0.00 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 1pyg h ASN 588 Cb 0.10 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1pyg h ASN 588 CO -0.00 0.49 0.00 0.03 -1.06 0.00 0.00 177.43 176.89 1pyg h ARG 589 N 0.53 0.29 -0.71 0.81 3.08 -0.63 -2.09 114.38 115.67 1pyg h ARG 589 Ca 0.13 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1pyg h ARG 589 Cb 0.19 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1pyg h ARG 589 CO -0.01 0.51 0.41 0.82 -1.07 0.00 0.00 179.97 180.64 1pyg h ILE 590 N 0.04 1.21 -0.80 2.04 2.04 -0.35 -1.83 117.51 119.86 1pyg h ILE 590 Ca 0.05 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 65.46 1pyg h ILE 590 Cb 0.38 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.65 1pyg h ILE 590 CO 0.01 0.22 0.53 0.11 0.00 0.00 0.00 178.15 179.02 1pyg h LYS 591 N 0.97 0.93 0.00 2.37 1.79 -1.06 -1.44 116.57 120.14 1pyg h LYS 591 Ca 0.25 -0.06 -0.14 0.00 -2.18 0.00 0.00 60.65 58.53 1pyg h LYS 591 Cb -0.01 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.41 1pyg h LYS 591 CO -0.04 0.62 -0.66 -0.22 -1.08 0.00 0.00 179.45 178.06 1pyg h LYS 592 N 0.96 0.00 -2.04 3.15 1.63 -0.61 -3.36 116.57 116.31 1pyg h LYS 592 Ca 0.32 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.58 1pyg h LYS 592 Cb 0.08 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 31.31 1pyg h LYS 592 CO -0.10 0.66 -1.04 0.39 -3.45 0.00 0.00 179.45 175.91 1pyg n GLU 593 N -3.54 1.12 0.00 1.90 1.02 -1.04 -5.02 120.64 115.08 1pyg n GLU 593 Ca -0.00 -3.52 0.01 0.00 -0.02 0.00 0.00 57.16 53.63 1pyg n GLU 593 Cb 0.70 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.70 1pyg n GLU 593 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1pyg n PRO 594 N 1.01 0.13 -0.13 3.49 -0.04 -0.57 -1.11 135.00 137.79 1pyg n PRO 594 Ca 0.23 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.75 1pyg n PRO 594 Cb 0.54 -1.33 0.07 0.00 -0.04 0.00 0.00 33.50 32.74 1pyg n PRO 594 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pyg n ASN 595 N -0.83 1.63 -4.74 3.54 3.02 -1.26 -5.00 115.26 111.61 1pyg n ASN 595 Ca 0.02 -2.48 -0.36 0.00 -0.03 0.00 0.00 54.58 51.73 1pyg n ASN 595 Cb 0.01 -0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 38.85 1pyg n ASN 595 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1pyg s LYS 596 N -1.70 4.16 0.48 3.52 2.20 -0.26 -5.04 119.74 123.10 1pyg s LYS 596 Ca 0.17 0.00 -0.23 0.00 -0.36 0.00 0.00 55.97 55.55 1pyg s LYS 596 Cb 0.14 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 1pyg s LYS 596 CO 0.02 0.31 1.09 0.34 -0.36 0.00 0.00 175.35 176.75 1pyg n PHE 597 N 3.37 1.40 -3.85 4.03 7.35 -1.26 -5.02 117.46 123.48 1pyg n PHE 597 Ca -0.14 0.50 -0.12 0.00 -0.76 0.00 0.00 57.45 56.94 1pyg n PHE 597 Cb 0.52 -2.25 -0.11 0.00 0.35 0.00 0.00 39.48 37.99 1pyg n PHE 597 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1pyg s VAL 598 N -1.32 0.04 0.06 -2.13 -7.23 -1.26 -5.11 120.40 103.45 1pyg s VAL 598 Ca 0.66 -0.34 -0.31 0.00 -1.81 0.00 0.00 61.98 60.19 1pyg s VAL 598 Cb -0.50 -0.32 -0.07 0.00 0.56 0.00 0.00 36.38 36.05 1pyg s VAL 598 CO 0.54 -0.19 1.46 -0.69 -0.31 0.00 0.00 175.10 175.92 1pyg s VAL 599 N -0.62 3.36 0.47 1.32 1.01 -1.26 -5.00 120.40 119.68 1pyg s VAL 599 Ca -0.07 0.86 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 1pyg s VAL 599 Cb -0.04 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 1pyg s VAL 599 CO 0.01 0.03 1.38 -2.16 0.00 0.00 0.00 175.10 174.35 1pyg s PRO 600 N 1.94 3.57 0.09 2.72 0.04 -1.26 -4.92 135.00 137.17 1pyg s PRO 600 Ca 0.67 2.29 0.03 0.00 0.04 0.00 0.00 61.00 64.03 1pyg s PRO 600 Cb -0.36 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 1pyg s PRO 600 CO 0.29 -0.87 -0.09 1.03 0.04 0.00 0.00 177.00 177.40 1pyg s ARG 601 N -2.57 0.80 -0.16 4.56 0.52 -0.83 -0.14 118.95 121.14 1pyg s ARG 601 Ca 0.64 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.73 1pyg s ARG 601 Cb -0.41 -0.46 0.03 0.00 0.52 0.00 0.00 34.95 34.63 1pyg s ARG 601 CO 0.52 0.07 -0.10 0.99 0.02 0.00 0.00 175.30 176.79 1pyg s THR 602 N -2.42 1.40 -0.42 0.02 2.01 -0.22 -3.37 115.64 112.63 1pyg s THR 602 Ca 0.04 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.19 1pyg s THR 602 Cb -0.03 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.07 1pyg s THR 602 CO -0.01 0.29 0.41 -0.69 -0.69 0.00 0.00 174.62 173.93 1pyg s VAL 603 N 1.53 5.13 -0.26 3.82 1.01 -0.70 -0.75 120.40 130.18 1pyg s VAL 603 Ca 0.02 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 1pyg s VAL 603 Cb -0.14 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.23 1pyg s VAL 603 CO -0.09 -0.40 0.03 -0.04 0.00 0.00 0.00 175.10 174.60 1pyg s MET 604 N 2.03 3.18 -0.06 2.72 -1.94 -0.68 -0.65 119.30 123.90 1pyg s MET 604 Ca 0.10 -0.78 0.03 0.00 -1.71 0.00 0.00 55.69 53.34 1pyg s MET 604 Cb -0.17 -3.22 -0.02 0.00 2.01 0.00 0.00 34.83 33.43 1pyg s MET 604 CO 0.13 -0.35 -0.14 0.42 -0.01 0.00 0.00 175.02 175.07 1pyg s ILE 605 N 1.48 3.08 0.08 2.53 1.01 -0.80 -0.97 121.20 127.60 1pyg s ILE 605 Ca 0.03 -0.71 -0.09 0.00 0.00 0.00 0.00 60.65 59.89 1pyg s ILE 605 Cb -0.16 -2.22 -0.00 0.00 0.01 0.00 0.00 42.46 40.09 1pyg s ILE 605 CO 0.00 0.58 0.19 -0.83 0.00 0.00 0.00 174.94 174.88 1pyg s GLY 606 N -0.54 0.09 0.00 6.18 0.00 -0.72 -0.85 107.32 111.49 1pyg s GLY 606 Ca 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.24 1pyg s GLY 606 CO 0.01 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 172.98 1pyg n GLY 607 N 0.11 2.62 3.68 0.20 0.00 -1.26 -2.74 105.19 107.81 1pyg n GLY 607 Ca -0.16 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.12 1pyg n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyg s LYS 608 N -2.00 2.77 -0.19 1.61 1.02 -1.26 -4.76 119.74 116.93 1pyg s LYS 608 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 55.97 55.29 1pyg s LYS 608 Cb 0.00 -2.66 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 1pyg s LYS 608 CO 0.00 0.62 0.05 0.00 -0.92 0.00 0.00 175.35 175.09 1pyg s ALA 609 N -1.11 3.30 0.03 5.17 0.00 -1.26 -1.53 121.76 126.35 1pyg s ALA 609 Ca 0.20 -0.82 -0.37 0.00 0.00 0.00 0.00 51.96 50.98 1pyg s ALA 609 Cb -0.12 -1.88 -0.16 0.00 0.00 0.00 0.00 23.12 20.97 1pyg s ALA 609 CO 0.11 0.08 1.49 0.00 0.00 0.00 0.00 175.76 177.45 1pyg n ALA 610 N 3.74 -0.24 -1.93 0.00 0.00 -1.26 -4.87 120.51 115.95 1pyg n ALA 610 Ca -0.17 0.47 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 1pyg n ALA 610 Cb 0.52 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 1pyg n ALA 610 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1pyg s PRO 611 N 1.32 4.21 0.00 0.00 0.02 -1.26 -1.02 135.00 138.27 1pyg s PRO 611 Ca 0.86 2.36 0.00 0.00 0.02 0.00 0.00 61.00 64.24 1pyg s PRO 611 Cb -0.90 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 30.40 1pyg s PRO 611 CO 0.48 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 1pyg n GLY 612 N 3.79 0.38 3.26 0.52 0.00 -1.26 -4.99 105.19 106.89 1pyg n GLY 612 Ca 0.14 -1.06 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1pyg n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pyg s TYR 613 N -2.00 3.34 0.09 1.61 6.14 -0.19 -5.00 117.35 121.34 1pyg s TYR 613 Ca 0.00 -1.57 -0.25 0.00 0.64 0.00 0.00 57.07 55.89 1pyg s TYR 613 Cb 0.00 -2.81 -0.15 0.00 0.42 0.00 0.00 41.96 39.42 1pyg s TYR 613 CO 0.00 -0.83 1.72 1.25 0.64 0.00 0.00 175.55 178.33 1pyg h HIS 614 N 8.33 -0.16 -0.81 4.97 -0.00 -1.94 -2.02 115.15 123.52 1pyg h HIS 614 Ca -0.22 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.11 1pyg h HIS 614 Cb 1.08 0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 28.51 1pyg h HIS 614 CO 0.60 -0.10 0.35 1.98 -0.00 0.00 0.00 177.93 180.76 1pyg h MET 615 N -0.17 1.19 -0.53 5.26 -1.53 -1.98 -0.14 114.93 117.03 1pyg h MET 615 Ca -0.01 -0.19 0.04 0.00 -3.44 0.00 0.00 59.70 56.09 1pyg h MET 615 Cb 0.14 -0.20 -0.04 0.00 -0.55 0.00 0.00 31.60 30.94 1pyg h MET 615 CO 0.02 0.94 0.29 0.00 0.14 0.00 0.00 176.91 178.29 1pyg h ALA 616 N 1.22 0.68 -0.67 0.39 0.00 -1.86 0.05 119.26 119.06 1pyg h ALA 616 Ca 0.27 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.20 1pyg h ALA 616 Cb 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1pyg h ALA 616 CO -0.03 -0.04 0.45 0.87 0.00 0.00 0.00 179.25 180.50 1pyg h LYS 617 N 0.56 0.89 -0.14 0.00 6.56 -0.79 -2.21 116.57 121.45 1pyg h LYS 617 Ca 0.22 -0.05 -0.21 0.00 -1.06 0.00 0.00 60.65 59.55 1pyg h LYS 617 Cb 0.10 -0.20 0.01 0.00 -0.57 0.00 0.00 32.23 31.56 1pyg h LYS 617 CO -0.14 0.59 -0.77 1.98 -2.06 0.00 0.00 179.45 179.05 1pyg h MET 618 N 0.91 0.70 -0.54 3.15 4.05 -0.05 -2.94 114.93 120.21 1pyg h MET 618 Ca 0.25 -0.57 -0.02 0.00 -0.28 0.00 0.00 59.70 59.08 1pyg h MET 618 Cb -0.11 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1pyg h MET 618 CO -0.05 1.19 0.27 0.82 0.23 0.00 0.00 176.91 179.37 1pyg h ILE 619 N 0.48 1.19 -0.56 1.77 2.04 -0.49 -0.26 117.51 121.68 1pyg h ILE 619 Ca -0.05 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1pyg h ILE 619 Cb 1.38 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1pyg h ILE 619 CO 0.15 0.22 0.35 0.40 0.00 0.00 0.00 178.15 179.27 1pyg h ILE 620 N 0.73 1.16 0.00 -0.67 2.04 -1.44 -0.76 117.51 118.57 1pyg h ILE 620 Ca 0.19 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1pyg h ILE 620 Cb 0.10 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1pyg h ILE 620 CO -0.03 0.16 -0.19 0.50 0.00 0.00 0.00 178.15 178.60 1pyg h LYS 621 N 0.76 0.00 -0.05 2.37 1.63 -1.29 -1.83 116.57 118.16 1pyg h LYS 621 Ca 0.20 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.89 1pyg h LYS 621 Cb -0.04 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1pyg h LYS 621 CO -0.04 0.19 -0.39 1.25 -3.45 0.00 0.00 179.45 177.00 1pyg h LEU 622 N 0.00 0.43 -0.55 5.20 5.85 0.35 -1.35 115.31 125.23 1pyg h LEU 622 Ca -0.00 -0.69 0.08 0.00 0.84 0.00 0.00 57.88 58.11 1pyg h LEU 622 Cb 0.43 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 1pyg h LEU 622 CO 0.02 1.05 0.19 0.40 -0.34 0.00 0.00 178.44 179.77 1pyg h ILE 623 N -0.16 0.79 -0.41 4.05 2.04 -0.79 0.19 117.51 123.22 1pyg h ILE 623 Ca -0.04 -0.13 -0.12 0.00 1.00 0.00 0.00 64.86 65.58 1pyg h ILE 623 Cb 1.07 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1pyg h ILE 623 CO 0.08 0.07 -0.22 0.71 0.00 0.00 0.00 178.15 178.78 1pyg h THR 624 N 0.37 1.28 0.22 -0.27 1.35 -1.39 -1.87 112.91 112.60 1pyg h THR 624 Ca 0.27 -1.37 -0.01 0.00 -0.55 0.00 0.00 66.41 64.75 1pyg h THR 624 Cb 0.32 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1pyg h THR 624 CO -0.28 0.46 -0.11 0.00 -0.25 0.00 0.00 175.52 175.34 1pyg h ALA 625 N 0.82 -0.30 -0.45 6.62 0.00 0.33 0.24 119.26 126.51 1pyg h ALA 625 Ca 0.09 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1pyg h ALA 625 Cb 0.79 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 1pyg h ALA 625 CO 0.07 -0.67 -0.41 0.82 0.00 0.00 0.00 179.25 179.06 1pyg h ILE 626 N -0.30 0.13 -0.46 0.00 2.04 -0.75 -0.40 117.51 117.77 1pyg h ILE 626 Ca -0.03 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 1pyg h ILE 626 Cb 0.23 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1pyg h ILE 626 CO 0.05 0.00 0.31 1.23 0.00 0.00 0.00 178.15 179.74 1pyg h GLY 627 N -0.28 0.54 1.79 5.37 0.00 -0.93 -0.54 103.07 109.01 1pyg h GLY 627 Ca 0.16 -0.18 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1pyg h GLY 627 CO -0.60 0.15 -0.39 -0.55 0.00 0.00 0.00 176.54 175.15 1pyg h ASP 628 N 0.46 0.25 0.32 0.19 3.32 0.79 -0.30 116.42 121.44 1pyg h ASP 628 Ca 0.19 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1pyg h ASP 628 Cb 0.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1pyg h ASP 628 CO -0.05 0.62 -0.15 0.58 -1.72 0.00 0.00 179.24 178.52 1pyg h VAL 629 N 0.20 0.04 0.26 -1.35 2.07 -1.07 -3.29 116.25 113.12 1pyg h VAL 629 Ca 0.02 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1pyg h VAL 629 Cb 0.79 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1pyg h VAL 629 CO 0.06 0.01 -0.51 0.58 0.02 0.00 0.00 177.57 177.73 1pyg h VAL 630 N -1.11 0.02 0.00 2.57 2.07 -1.04 -1.55 116.25 117.21 1pyg h VAL 630 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1pyg h VAL 630 Cb 0.35 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1pyg h VAL 630 CO 0.07 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.25 1pyg n ASN 631 N -5.51 0.18 -0.51 0.57 3.02 -0.13 -1.25 115.26 111.63 1pyg n ASN 631 Ca -0.10 0.56 0.08 0.00 -0.03 0.00 0.00 54.58 55.09 1pyg n ASN 631 Cb 0.43 -0.59 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1pyg n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1pyg n HIS 632 N -1.72 0.00 -2.67 3.10 8.25 -0.62 -4.91 115.22 116.65 1pyg n HIS 632 Ca 0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.05 1pyg n HIS 632 Cb 0.12 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 1pyg n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1pyg s ASP 633 N -1.49 7.14 0.50 0.41 -1.08 -0.38 -4.92 116.67 116.84 1pyg s ASP 633 Ca 0.16 1.42 0.32 0.00 -0.52 0.00 0.00 52.55 53.93 1pyg s ASP 633 Cb 0.13 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.32 1pyg s ASP 633 CO 0.26 -0.60 1.93 1.55 0.52 0.00 0.00 175.17 178.84 1pyg h PRO 634 N 7.34 0.00 0.00 4.34 0.13 -1.91 -3.16 132.00 138.74 1pyg h PRO 634 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1pyg h PRO 634 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pyg h PRO 634 CO 0.94 0.00 0.00 1.33 -0.23 0.00 0.00 178.00 180.04 1pyg n VAL 635 N -2.95 0.67 0.14 1.56 0.24 -1.26 -1.42 118.33 115.31 1pyg n VAL 635 Ca 0.01 0.05 -0.01 0.00 -2.04 0.00 0.00 64.34 62.36 1pyg n VAL 635 Cb 0.30 -0.87 0.20 0.00 -1.47 0.00 0.00 33.84 32.00 1pyg n VAL 635 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1pyg h VAL 636 N 0.00 1.41 0.00 3.34 2.07 -1.89 -3.48 116.25 117.70 1pyg h VAL 636 Ca 0.00 -1.97 0.00 0.00 0.82 0.00 0.00 66.70 65.55 1pyg h VAL 636 Cb 0.47 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1pyg h VAL 636 CO 0.00 0.56 0.00 0.61 0.02 0.00 0.00 177.57 178.76 1pyg n GLY 637 N 0.12 2.95 2.01 2.17 0.00 -0.51 -2.19 105.19 109.74 1pyg n GLY 637 Ca -0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 1pyg n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pyg n ASP 638 N 2.63 3.91 0.07 1.61 5.68 -1.26 -4.65 116.55 124.54 1pyg n ASP 638 Ca 0.00 -3.51 0.12 0.00 -0.50 0.00 0.00 54.79 50.90 1pyg n ASP 638 Cb 0.00 -0.78 0.14 0.00 -1.14 0.00 0.00 41.12 39.33 1pyg n ASP 638 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1pyg h ARG 639 N 1.49 0.00 -2.43 0.11 3.08 -1.79 -3.45 114.38 111.39 1pyg h ARG 639 Ca 0.47 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.44 1pyg h ARG 639 Cb 2.55 0.00 -0.21 0.00 0.08 0.00 0.00 29.97 32.39 1pyg h ARG 639 CO 0.90 0.00 -0.05 -1.17 -1.07 0.00 0.00 179.97 178.59 1pyg s LEU 640 N -4.47 -0.05 -0.22 3.04 2.96 -1.26 -1.96 118.68 116.72 1pyg s LEU 640 Ca 0.05 0.80 -0.13 0.00 -0.22 0.00 0.00 54.13 54.63 1pyg s LEU 640 Cb 0.12 1.93 0.07 0.00 0.50 0.00 0.00 46.19 48.81 1pyg s LEU 640 CO 0.73 -0.35 0.54 -0.60 -1.32 0.00 0.00 176.35 175.35 1pyg s ARG 641 N -0.42 0.55 -0.25 1.98 6.06 -1.22 -4.69 118.95 120.96 1pyg s ARG 641 Ca -0.06 0.97 -0.03 0.00 -2.50 0.00 0.00 55.73 54.11 1pyg s ARG 641 Cb -0.03 0.08 0.02 0.00 0.06 0.00 0.00 34.95 35.07 1pyg s ARG 641 CO 0.04 -0.15 -0.03 0.08 -2.50 0.00 0.00 175.30 172.74 1pyg s VAL 642 N 1.40 3.21 -0.14 7.11 1.01 -1.26 -1.72 120.40 130.01 1pyg s VAL 642 Ca -0.09 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1pyg s VAL 642 Cb -0.07 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.74 1pyg s VAL 642 CO -0.15 0.22 -0.15 -0.63 0.00 0.00 0.00 175.10 174.39 1pyg s ILE 643 N 1.39 1.61 -0.18 2.22 1.01 0.17 -4.50 121.20 122.92 1pyg s ILE 643 Ca 0.02 -0.68 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1pyg s ILE 643 Cb -0.16 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 1pyg s ILE 643 CO -0.03 0.46 0.94 0.12 0.00 0.00 0.00 174.94 176.44 1pyg s PHE 644 N 1.26 3.40 -0.47 3.97 5.36 -1.26 -1.91 117.98 128.34 1pyg s PHE 644 Ca 0.00 1.39 -0.22 0.00 -0.96 0.00 0.00 56.93 57.15 1pyg s PHE 644 Cb -0.14 -3.14 0.03 0.00 -0.34 0.00 0.00 43.02 39.43 1pyg s PHE 644 CO -0.07 -0.33 0.74 -0.51 -1.46 0.00 0.00 175.22 173.58 1pyg s LEU 645 N 2.53 4.42 0.26 6.12 1.43 -0.03 -4.94 118.68 128.48 1pyg s LEU 645 Ca 0.42 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 1pyg s LEU 645 Cb -0.16 -2.79 -0.10 0.00 0.03 0.00 0.00 46.19 43.18 1pyg s LEU 645 CO 0.11 -0.92 1.31 -0.70 0.23 0.00 0.00 176.35 176.38 1pyg s GLU 646 N 3.14 4.38 -1.14 1.70 2.12 -1.26 -4.01 118.70 123.62 1pyg s GLU 646 Ca 0.25 2.13 -0.01 0.00 0.36 0.00 0.00 54.97 57.70 1pyg s GLU 646 Cb -0.14 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 1pyg s GLU 646 CO 0.19 -0.21 0.96 -1.71 -0.54 0.00 0.00 175.26 173.95 1pyg n ASN 647 N 1.77 -2.53 -4.68 -1.70 5.15 -1.26 -4.91 115.26 107.10 1pyg n ASN 647 Ca 0.03 -0.61 -0.49 0.00 -0.60 0.00 0.00 54.58 52.91 1pyg n ASN 647 Cb 0.42 -4.99 -0.05 0.00 -0.53 0.00 0.00 39.78 34.64 1pyg n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pyg n TYR 648 N -3.93 2.24 -4.00 1.20 9.36 -1.26 -4.87 117.16 115.90 1pyg n TYR 648 Ca -0.26 0.16 -0.11 0.00 3.32 0.00 0.00 57.90 61.01 1pyg n TYR 648 Cb 0.66 -2.60 -0.04 0.00 -0.63 0.00 0.00 39.34 36.74 1pyg n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1pyg s ARG 649 N 3.15 1.77 0.26 2.98 1.70 -1.26 -4.81 118.95 122.74 1pyg s ARG 649 Ca 0.90 -1.45 -0.01 0.00 -0.47 0.00 0.00 55.73 54.70 1pyg s ARG 649 Cb -0.75 0.48 0.51 0.00 -0.57 0.00 0.00 34.95 34.62 1pyg s ARG 649 CO 0.50 -0.75 1.78 0.28 -1.08 0.00 0.00 175.30 176.03 1pyg h VAL 650 N 2.17 0.80 -0.64 4.99 2.07 -1.95 -1.33 116.25 122.36 1pyg h VAL 650 Ca -0.28 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1pyg h VAL 650 Cb 1.25 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1pyg h VAL 650 CO 0.37 0.13 0.42 0.28 0.02 0.00 0.00 177.57 178.79 1pyg h SER 651 N 0.72 0.67 1.02 0.57 0.02 -1.96 -1.94 113.55 112.66 1pyg h SER 651 Ca 0.45 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.26 1pyg h SER 651 Cb 0.57 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 1pyg h SER 651 CO -0.32 0.47 -1.04 0.25 -1.14 0.00 0.00 176.83 175.05 1pyg h LEU 652 N 0.78 0.00 -0.95 5.07 5.85 -1.62 -3.05 115.31 121.39 1pyg h LEU 652 Ca 0.25 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.87 1pyg h LEU 652 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1pyg h LEU 652 CO -0.07 0.50 -0.31 0.00 -0.34 0.00 0.00 178.44 178.23 1pyg h ALA 653 N 1.50 1.11 0.00 1.25 0.00 -0.56 0.37 119.26 122.93 1pyg h ALA 653 Ca -0.09 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1pyg h ALA 653 Cb 1.46 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 1pyg h ALA 653 CO 0.05 0.56 -0.02 0.93 0.00 0.00 0.00 179.25 180.77 1pyg h GLU 654 N 0.34 0.00 0.00 0.00 5.08 -1.33 -1.30 114.58 117.38 1pyg h GLU 654 Ca 0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1pyg h GLU 654 Cb 0.71 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1pyg h GLU 654 CO 0.05 0.02 -1.00 0.87 -1.00 0.00 0.00 179.01 177.95 1pyg h LYS 655 N 0.00 0.00 -0.51 2.33 1.57 -1.34 -3.40 116.57 115.22 1pyg h LYS 655 Ca -0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1pyg h LYS 655 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1pyg h LYS 655 CO 0.00 0.68 -0.17 -0.24 -0.57 0.00 0.00 179.45 179.16 1pyg h VAL 656 N -1.00 1.27 -0.57 0.50 3.04 -0.74 -3.24 116.25 115.50 1pyg h VAL 656 Ca -0.24 -1.33 -0.04 0.00 -1.01 0.00 0.00 66.70 64.08 1pyg h VAL 656 Cb 1.04 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.36 1pyg h VAL 656 CO -0.14 0.46 0.18 0.40 -1.01 0.00 0.00 177.57 177.46 1pyg h ILE 657 N 0.87 1.24 0.00 3.17 2.04 -1.49 -0.05 117.51 123.29 1pyg h ILE 657 Ca 0.12 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1pyg h ILE 657 Cb 0.74 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1pyg h ILE 657 CO 0.06 0.30 0.00 -2.65 0.00 0.00 0.00 178.15 175.86 1pyg n PRO 658 N -4.44 0.10 0.00 2.37 -0.02 -1.22 -2.01 135.00 129.77 1pyg n PRO 658 Ca 0.03 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.11 1pyg n PRO 658 Cb 0.20 -1.77 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1pyg n PRO 658 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1pyg n ALA 659 N -1.67 2.53 -1.88 3.55 0.00 -0.11 -4.64 120.51 118.30 1pyg n ALA 659 Ca 0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 53.44 52.41 1pyg n ALA 659 Cb 0.08 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.90 1pyg n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyg s ALA 660 N -1.45 3.32 -0.14 0.00 0.00 -0.73 -4.69 121.76 118.07 1pyg s ALA 660 Ca 0.19 0.60 0.19 0.00 0.00 0.00 0.00 51.96 52.94 1pyg s ALA 660 Cb 0.14 -3.21 -0.28 0.00 0.00 0.00 0.00 23.12 19.77 1pyg s ALA 660 CO 0.23 0.16 0.22 -0.25 0.00 0.00 0.00 175.76 176.12 1pyg n ASP 661 N 1.79 0.02 -3.94 0.00 8.00 0.75 -4.11 116.55 119.06 1pyg n ASP 661 Ca -0.01 0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 1pyg n ASP 661 Cb 0.48 1.33 -0.16 0.00 -0.02 0.00 0.00 41.12 42.74 1pyg n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1pyg s LEU 662 N -5.16 1.58 -0.24 0.64 2.96 -0.51 -1.06 118.68 116.88 1pyg s LEU 662 Ca -0.09 -0.15 -0.14 0.00 -0.22 0.00 0.00 54.13 53.53 1pyg s LEU 662 Cb 0.09 -0.48 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 1pyg s LEU 662 CO 0.86 0.00 0.32 -0.55 -1.32 0.00 0.00 176.35 175.66 1pyg s SER 663 N 0.53 6.26 -0.38 3.68 0.15 0.55 -1.66 113.70 122.84 1pyg s SER 663 Ca -0.08 0.30 -0.16 0.00 0.70 0.00 0.00 55.95 56.71 1pyg s SER 663 Cb -0.11 -2.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.02 1pyg s SER 663 CO 0.01 -0.08 0.40 -1.61 1.20 0.00 0.00 173.24 173.15 1pyg s GLU 664 N 1.58 3.32 -0.48 5.44 0.41 -0.79 -1.13 118.70 127.05 1pyg s GLU 664 Ca 0.14 -0.60 0.08 0.00 -0.41 0.00 0.00 54.97 54.18 1pyg s GLU 664 Cb -0.15 -3.89 0.36 0.00 -1.78 0.00 0.00 34.13 28.67 1pyg s GLU 664 CO 0.08 -0.69 0.90 1.04 -0.49 0.00 0.00 175.26 176.10 1pyg n GLN 665 N 5.48 2.40 -0.99 1.61 1.13 -0.01 -4.77 117.38 122.23 1pyg n GLN 665 Ca -0.08 -4.24 -0.21 0.00 -1.94 0.00 0.00 57.00 50.53 1pyg n GLN 665 Cb 0.48 -2.00 0.11 0.00 0.11 0.00 0.00 30.24 28.94 1pyg n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1pyg n ILE 666 N -0.10 2.84 -2.26 5.09 -5.35 -1.26 -2.28 119.36 116.04 1pyg n ILE 666 Ca 0.28 -1.72 -0.31 0.00 -0.27 0.00 0.00 62.75 60.73 1pyg n ILE 666 Cb 0.54 -0.81 -0.02 0.00 -1.74 0.00 0.00 39.64 37.62 1pyg n ILE 666 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1pyg s SER 667 N -0.77 6.45 0.42 7.28 0.01 -1.26 -4.71 113.70 121.12 1pyg s SER 667 Ca 0.45 1.43 -0.26 0.00 1.31 0.00 0.00 55.95 58.88 1pyg s SER 667 Cb 0.37 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 64.04 1pyg s SER 667 CO 0.05 -0.67 1.35 0.41 0.41 0.00 0.00 173.24 174.79 1pyg n THR 668 N -2.03 2.57 -1.87 1.44 -1.04 -1.22 -4.67 114.28 107.46 1pyg n THR 668 Ca 0.06 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.05 61.18 1pyg n THR 668 Cb 0.54 -1.70 0.02 0.00 -1.82 0.00 0.00 70.33 67.37 1pyg n THR 668 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pyg s ALA 669 N -1.18 3.04 0.00 2.41 0.00 -1.26 -1.97 121.76 122.80 1pyg s ALA 669 Ca 0.60 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.89 1pyg s ALA 669 Cb -0.49 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1pyg s ALA 669 CO 0.59 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1pyg n GLY 670 N 0.64 1.49 0.00 0.00 0.00 -1.26 -4.75 105.19 101.32 1pyg n GLY 670 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1pyg n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pyg n THR 671 N -2.00 0.00 -4.15 2.61 -2.24 -0.83 -4.94 114.28 102.72 1pyg n THR 671 Ca 0.00 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.34 1pyg n THR 671 Cb 0.00 0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 69.00 1pyg n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pyg s GLU 672 N -2.81 3.46 0.04 -0.78 2.56 -1.26 -4.89 118.70 115.01 1pyg s GLU 672 Ca 0.06 -0.60 0.09 0.00 0.00 0.00 0.00 54.97 54.52 1pyg s GLU 672 Cb 0.14 -2.95 -0.22 0.00 2.00 0.00 0.00 34.13 33.10 1pyg s GLU 672 CO 0.77 -0.03 0.96 0.00 -0.56 0.00 0.00 175.26 176.40 1pyg h ALA 673 N 7.57 0.54 -3.00 6.30 0.00 -1.92 -2.65 119.26 126.10 1pyg h ALA 673 Ca -0.36 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.36 1pyg h ALA 673 Cb 1.18 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1pyg h ALA 673 CO 0.60 1.40 0.00 0.45 0.00 0.00 0.00 179.25 181.70 1pyg n SER 674 N -3.21 0.62 0.00 0.00 2.88 -1.26 -4.44 113.62 108.20 1pyg n SER 674 Ca -0.09 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1pyg n SER 674 Cb 1.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 1pyg n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pyg n GLY 675 N 0.00 -0.75 0.11 0.46 0.00 -1.26 -1.20 105.19 102.55 1pyg n GLY 675 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 46.02 46.36 1pyg n GLY 675 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pyg h THR 676 N 0.00 1.24 -0.34 2.61 1.35 -1.98 -2.82 112.91 112.97 1pyg h THR 676 Ca 0.00 -2.67 0.01 0.00 -0.55 0.00 0.00 66.41 63.19 1pyg h THR 676 Cb 0.00 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 1pyg h THR 676 CO 0.00 0.69 0.23 1.23 -0.25 0.00 0.00 175.52 177.42 1pyg h GLY 677 N 3.13 0.47 0.52 5.82 0.00 -1.96 -0.90 103.07 110.15 1pyg h GLY 677 Ca -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.23 1pyg h GLY 677 CO 0.09 0.17 0.28 3.43 0.00 0.00 0.00 176.54 180.51 1pyg h ASN 678 N 0.45 0.34 0.66 0.19 4.21 -1.90 -1.22 115.58 118.31 1pyg h ASN 678 Ca 0.13 0.06 -0.17 0.00 1.21 0.00 0.00 56.30 57.52 1pyg h ASN 678 Cb -0.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.15 1pyg h ASN 678 CO -0.03 0.21 -0.78 0.24 -1.29 0.00 0.00 177.43 175.79 1pyg h MET 679 N 0.50 0.09 0.09 0.81 2.86 -1.20 -1.95 114.93 116.12 1pyg h MET 679 Ca 0.30 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1pyg h MET 679 Cb 0.30 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1pyg h MET 679 CO -0.25 0.82 -0.04 0.87 1.06 0.00 0.00 176.91 179.37 1pyg h LYS 680 N 0.05 -0.11 0.29 1.72 1.57 -0.59 -0.84 116.57 118.66 1pyg h LYS 680 Ca -0.02 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1pyg h LYS 680 Cb 1.36 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.69 1pyg h LYS 680 CO 0.11 0.11 -0.20 0.74 -0.57 0.00 0.00 179.45 179.64 1pyg h PHE 681 N -0.32 -0.52 -0.71 -1.35 0.04 -1.20 -2.19 116.94 110.69 1pyg h PHE 681 Ca -0.01 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.88 1pyg h PHE 681 Cb 0.27 0.19 -0.09 0.00 2.20 0.00 0.00 35.95 38.52 1pyg h PHE 681 CO -0.01 -0.30 0.27 1.98 -0.60 0.00 0.00 178.31 179.65 1pyg h MET 682 N -0.48 0.42 -0.19 1.51 4.05 -1.30 0.02 114.93 118.96 1pyg h MET 682 Ca -0.02 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.43 1pyg h MET 682 Cb 0.41 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.11 1pyg h MET 682 CO 0.01 0.28 0.15 1.25 0.23 0.00 0.00 176.91 178.83 1pyg h LEU 683 N 0.43 0.00 -2.61 3.39 6.46 -0.88 -3.00 115.31 119.10 1pyg h LEU 683 Ca 0.38 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.14 1pyg h LEU 683 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1pyg h LEU 683 CO -0.37 0.00 0.00 0.59 -0.62 0.00 0.00 178.44 178.04 1pyg n ASN 684 N -4.26 3.64 0.00 1.25 4.13 -0.03 -4.94 115.26 115.04 1pyg n ASN 684 Ca 0.02 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.29 1pyg n ASN 684 Cb 0.29 -0.37 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 1pyg n ASN 684 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1pyg n GLY 685 N 1.43 0.90 3.96 7.41 0.00 -1.07 -4.84 105.19 112.98 1pyg n GLY 685 Ca 0.21 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 1pyg n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg s ALA 686 N -2.00 3.81 0.08 4.61 0.00 -1.18 -4.86 121.76 122.23 1pyg s ALA 686 Ca 0.00 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 50.91 1pyg s ALA 686 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 1pyg s ALA 686 CO 0.00 0.11 0.11 -0.51 0.00 0.00 0.00 175.76 175.46 1pyg s LEU 687 N -4.15 3.92 -0.13 0.00 1.43 -0.23 -4.42 118.68 115.10 1pyg s LEU 687 Ca 0.37 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 53.46 1pyg s LEU 687 Cb -0.09 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1pyg s LEU 687 CO 0.33 0.17 0.08 -0.89 0.23 0.00 0.00 176.35 176.26 1pyg s THR 688 N -1.42 4.97 -0.24 5.49 2.01 -1.26 -0.33 115.64 124.86 1pyg s THR 688 Ca 0.30 0.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 1pyg s THR 688 Cb -0.12 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.23 1pyg s THR 688 CO 0.23 0.57 -0.06 -0.51 -0.69 0.00 0.00 174.62 174.16 1pyg s ILE 689 N -0.59 3.02 0.21 1.82 2.07 -0.28 -1.64 121.20 125.80 1pyg s ILE 689 Ca 0.11 -0.82 -0.10 0.00 -1.41 0.00 0.00 60.65 58.43 1pyg s ILE 689 Cb -0.12 -2.46 0.04 0.00 0.13 0.00 0.00 42.46 40.05 1pyg s ILE 689 CO 0.02 0.30 0.53 0.61 -1.91 0.00 0.00 174.94 174.49 1pyg n GLY 690 N 4.72 1.24 3.91 1.50 0.00 -0.73 -0.83 105.19 115.00 1pyg n GLY 690 Ca -0.17 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 1pyg n GLY 690 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pyg s THR 691 N -2.40 5.09 -0.91 2.61 -4.23 -0.97 -0.90 115.64 113.93 1pyg s THR 691 Ca 0.11 -0.10 -0.24 0.00 -1.18 0.00 0.00 61.69 60.27 1pyg s THR 691 Cb -0.03 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.08 1pyg s THR 691 CO 0.06 -0.28 1.67 -0.32 -0.54 0.00 0.00 174.62 175.21 1pyg s MET 692 N -3.50 3.05 -0.07 3.99 1.75 -1.26 -4.73 119.30 118.53 1pyg s MET 692 Ca 0.42 -0.54 -0.31 0.00 -1.25 0.00 0.00 55.69 54.01 1pyg s MET 692 Cb -0.11 -5.03 0.12 0.00 2.84 0.00 0.00 34.83 32.65 1pyg s MET 692 CO 0.30 -2.72 1.07 0.34 -0.65 0.00 0.00 175.02 173.36 1pyg s ASP 693 N 6.37 -0.22 0.74 1.11 2.15 -1.26 -4.62 116.67 120.93 1pyg s ASP 693 Ca 0.57 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.50 1pyg s ASP 693 Cb -0.05 0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.84 1pyg s ASP 693 CO -0.01 -0.45 0.00 0.61 -0.17 0.00 0.00 175.17 175.15 1pyg n GLY 694 N -0.22 2.73 0.25 2.66 0.00 -1.00 -1.16 105.19 108.45 1pyg n GLY 694 Ca -0.05 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 45.97 1pyg n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg h ALA 695 N -0.43 1.28 -0.69 4.61 0.00 -1.37 -3.10 119.26 119.56 1pyg h ALA 695 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1pyg h ALA 695 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1pyg h ALA 695 CO 0.00 0.19 0.36 -0.91 0.00 0.00 0.00 179.25 178.89 1pyg h ASN 696 N 0.00 0.50 -0.04 0.00 2.35 -1.42 -0.68 115.58 116.30 1pyg h ASN 696 Ca -0.00 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1pyg h ASN 696 Cb 0.40 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.72 1pyg h ASN 696 CO 0.02 0.31 0.02 0.58 -1.65 0.00 0.00 177.43 176.71 1pyg h VAL 697 N 0.64 1.05 0.00 2.81 2.07 -1.57 0.31 116.25 121.56 1pyg h VAL 697 Ca 0.33 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.62 1pyg h VAL 697 Cb 0.29 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1pyg h VAL 697 CO -0.23 0.04 -0.47 -0.33 0.02 0.00 0.00 177.57 176.60 1pyg h GLU 698 N 0.01 0.00 -0.23 1.57 5.08 -1.70 -2.34 114.58 116.97 1pyg h GLU 698 Ca 0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1pyg h GLU 698 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1pyg h GLU 698 CO -0.00 0.47 0.00 0.52 -1.00 0.00 0.00 179.01 179.00 1pyg h MET 699 N 0.00 0.40 -0.21 2.33 2.86 -0.66 -2.21 114.93 117.44 1pyg h MET 699 Ca -0.00 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.39 1pyg h MET 699 Cb 1.20 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.81 1pyg h MET 699 CO 0.06 0.58 -0.37 0.00 1.06 0.00 0.00 176.91 178.24 1pyg h ALA 700 N 0.80 0.96 -0.07 6.32 0.00 -0.33 0.68 119.26 127.63 1pyg h ALA 700 Ca 0.06 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1pyg h ALA 700 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1pyg h ALA 700 CO 0.01 0.62 -0.35 1.05 0.00 0.00 0.00 179.25 180.58 1pyg h GLU 701 N 0.39 0.14 -0.10 0.00 4.11 -1.29 0.39 114.58 118.22 1pyg h GLU 701 Ca 0.04 -0.05 -0.04 0.00 0.07 0.00 0.00 59.36 59.37 1pyg h GLU 701 Cb 0.83 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1pyg h GLU 701 CO 0.07 0.48 -0.11 1.49 0.07 0.00 0.00 179.01 181.01 1pyg h GLU 702 N 0.12 0.25 0.00 1.06 4.57 -0.77 -3.24 114.58 116.58 1pyg h GLU 702 Ca 0.01 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 1pyg h GLU 702 Cb 0.68 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 1pyg h GLU 702 CO 0.05 0.68 -0.17 0.00 -1.18 0.00 0.00 179.01 178.39 1pyg h ALA 703 N 0.57 0.91 -0.03 2.92 0.00 -0.73 -3.46 119.26 119.44 1pyg h ALA 703 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pyg h ALA 703 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1pyg h ALA 703 CO 0.03 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1pyg n GLY 704 N 0.90 -1.99 0.32 0.00 0.00 0.14 -4.50 105.19 100.06 1pyg n GLY 704 Ca 0.03 -1.07 0.20 0.00 0.00 0.00 0.00 46.02 45.17 1pyg n GLY 704 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pyg h GLU 705 N 0.00 0.00 0.00 1.61 4.81 -1.83 -1.81 114.58 117.36 1pyg h GLU 705 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pyg h GLU 705 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1pyg h GLU 705 CO 0.00 0.01 0.00 0.39 -0.73 0.00 0.00 179.01 178.68 1pyg n GLU 706 N -3.18 0.35 -0.44 1.92 4.71 -1.26 -1.89 120.64 120.85 1pyg n GLU 706 Ca -0.02 0.08 0.08 0.00 -0.01 0.00 0.00 57.16 57.29 1pyg n GLU 706 Cb 0.15 -1.50 0.26 0.00 -1.01 0.00 0.00 31.44 29.33 1pyg n GLU 706 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1pyg n ASN 707 N -1.23 3.88 -4.02 1.62 3.02 -0.68 -4.97 115.26 112.88 1pyg n ASN 707 Ca 0.11 -2.80 -0.18 0.00 -0.03 0.00 0.00 54.58 51.67 1pyg n ASN 707 Cb 0.14 -0.50 -0.14 0.00 -0.61 0.00 0.00 39.78 38.67 1pyg n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pyg s PHE 708 N -2.45 0.77 -1.13 3.10 0.40 -0.79 -4.79 117.98 113.08 1pyg s PHE 708 Ca 0.40 -0.17 -0.08 0.00 -0.60 0.00 0.00 56.93 56.48 1pyg s PHE 708 Cb 0.31 -0.49 0.26 0.00 0.51 0.00 0.00 43.02 43.61 1pyg s PHE 708 CO 0.11 -0.01 1.32 1.19 0.70 0.00 0.00 175.22 178.53 1pyg n PHE 709 N 2.76 4.22 -2.50 0.36 3.01 -0.65 -4.97 117.46 119.69 1pyg n PHE 709 Ca -0.14 -3.38 -0.42 0.00 1.01 0.00 0.00 57.45 54.53 1pyg n PHE 709 Cb 0.57 -1.67 -0.03 0.00 -0.01 0.00 0.00 39.48 38.34 1pyg n PHE 709 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1pyg s ILE 710 N -1.20 4.08 0.39 4.37 -1.09 -1.26 -1.77 121.20 124.71 1pyg s ILE 710 Ca 0.33 1.60 0.05 0.00 -2.23 0.00 0.00 60.65 60.41 1pyg s ILE 710 Cb -0.03 -4.02 -0.02 0.00 -1.58 0.00 0.00 42.46 36.80 1pyg s ILE 710 CO -0.01 0.18 0.19 2.22 -1.23 0.00 0.00 174.94 176.30 1pyg n PHE 711 N 3.31 -0.17 -4.81 3.97 -1.74 -0.08 -4.91 117.46 113.04 1pyg n PHE 711 Ca 0.06 -2.69 0.00 0.00 -0.56 0.00 0.00 57.45 54.26 1pyg n PHE 711 Cb 0.47 0.09 0.00 0.00 1.52 0.00 0.00 39.48 41.56 1pyg n PHE 711 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1pyg n GLY 712 N -0.77 -0.55 3.70 4.97 0.00 -1.26 -4.44 105.19 106.83 1pyg n GLY 712 Ca -0.01 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1pyg n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pyg s MET 713 N 0.00 4.33 1.06 1.61 -1.94 -1.26 -4.94 119.30 118.16 1pyg s MET 713 Ca 0.00 1.90 -0.17 0.00 -1.71 0.00 0.00 55.69 55.71 1pyg s MET 713 Cb 0.00 -3.46 0.23 0.00 2.01 0.00 0.00 34.83 33.61 1pyg s MET 713 CO 0.00 -0.46 1.23 1.03 -0.01 0.00 0.00 175.02 176.80 1pyg s ARG 714 N 1.85 -0.11 0.13 2.03 1.81 -1.26 -4.41 118.95 118.99 1pyg s ARG 714 Ca 0.62 -0.24 -0.18 0.00 -1.72 0.00 0.00 55.73 54.21 1pyg s ARG 714 Cb -0.31 -1.74 -0.02 0.00 -0.45 0.00 0.00 34.95 32.43 1pyg s ARG 714 CO 0.27 -2.95 1.77 0.28 -0.68 0.00 0.00 175.30 173.99 1pyg h VAL 715 N -2.03 1.00 -0.94 3.52 2.07 -1.85 -1.05 116.25 116.97 1pyg h VAL 715 Ca -0.45 -0.10 0.25 0.00 0.82 0.00 0.00 66.70 67.22 1pyg h VAL 715 Cb 1.26 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 1pyg h VAL 715 CO 0.38 0.05 0.64 -0.33 0.02 0.00 0.00 177.57 178.33 1pyg h GLU 716 N 0.28 0.20 0.23 1.57 3.07 -1.96 -1.64 114.58 116.32 1pyg h GLU 716 Ca 0.11 -0.01 -0.33 0.00 -0.50 0.00 0.00 59.36 58.62 1pyg h GLU 716 Cb 0.03 -0.04 0.03 0.00 -0.84 0.00 0.00 28.75 27.92 1pyg h GLU 716 CO -0.07 0.13 -1.49 -0.44 -1.40 0.00 0.00 179.01 175.74 1pyg h ASP 717 N 0.20 0.75 -0.03 1.42 3.32 -1.56 -2.40 116.42 118.13 1pyg h ASP 717 Ca 0.47 -0.84 -0.13 0.00 0.02 0.00 0.00 57.03 56.55 1pyg h ASP 717 Cb 1.52 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1pyg h ASP 717 CO -0.11 1.67 -0.38 -0.37 -1.72 0.00 0.00 179.24 178.32 1pyg h VAL 718 N 0.13 1.30 -0.53 -1.35 -1.51 -0.83 -1.24 116.25 112.22 1pyg h VAL 718 Ca -0.25 -1.53 -0.10 0.00 -1.23 0.00 0.00 66.70 63.58 1pyg h VAL 718 Cb 2.14 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 32.81 1pyg h VAL 718 CO 0.25 0.48 -0.07 0.44 -1.23 0.00 0.00 177.57 177.45 1pyg h ASP 719 N 0.44 0.97 -0.78 4.19 3.32 -1.37 0.75 116.42 123.94 1pyg h ASP 719 Ca 0.04 -0.34 -0.02 0.00 0.02 0.00 0.00 57.03 56.73 1pyg h ASP 719 Cb 0.87 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 1pyg h ASP 719 CO 0.07 1.08 0.40 0.03 -1.72 0.00 0.00 179.24 179.11 1pyg h ARG 720 N 0.84 1.10 0.00 3.56 3.08 -1.00 0.31 114.38 122.27 1pyg h ARG 720 Ca 0.14 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1pyg h ARG 720 Cb 0.62 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1pyg h ARG 720 CO 0.04 0.83 -0.16 1.25 -1.07 0.00 0.00 179.97 180.86 1pyg h LEU 721 N 1.09 0.00 -0.16 3.04 5.85 -0.55 -1.33 115.31 123.26 1pyg h LEU 721 Ca 0.27 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.77 1pyg h LEU 721 Cb 0.07 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1pyg h LEU 721 CO -0.04 0.16 -0.97 0.44 -0.34 0.00 0.00 178.44 177.69 1pyg h ASP 722 N 0.00 0.29 0.26 1.25 3.32 0.19 0.19 116.42 121.92 1pyg h ASP 722 Ca -0.00 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.77 1pyg h ASP 722 Cb 0.35 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1pyg h ASP 722 CO 0.02 1.10 -0.13 1.56 -1.72 0.00 0.00 179.24 180.07 1pyg h GLN 723 N 0.10 0.00 0.00 3.56 4.20 0.26 -3.16 115.11 120.06 1pyg h GLN 723 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1pyg h GLN 723 Cb 1.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.42 1pyg h GLN 723 CO 0.15 0.13 -0.45 2.89 -0.67 0.00 0.00 178.83 180.89 1pyg n ARG 724 N -3.90 4.06 -0.18 1.46 1.85 -0.91 -5.10 116.66 113.93 1pyg n ARG 724 Ca -0.02 -0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.82 1pyg n ARG 724 Cb 0.23 -0.90 0.00 0.00 -1.05 0.00 0.00 32.46 30.73 1pyg n ARG 724 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1pyg n GLY 725 N 1.24 -1.14 3.74 2.89 0.00 0.67 -4.98 105.19 107.61 1pyg n GLY 725 Ca 0.01 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1pyg n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pyg s TYR 726 N -0.15 3.86 -0.19 1.61 5.04 -1.19 -4.86 117.35 121.48 1pyg s TYR 726 Ca 0.00 1.79 -0.02 0.00 -2.44 0.00 0.00 57.07 56.40 1pyg s TYR 726 Cb 0.00 -2.99 0.06 0.00 0.35 0.00 0.00 41.96 39.37 1pyg s TYR 726 CO 0.00 0.30 0.01 1.21 -1.34 0.00 0.00 175.55 175.73 1pyg s ASN 727 N -0.41 2.93 0.48 4.32 3.84 -1.26 -5.03 114.94 119.82 1pyg s ASN 727 Ca 0.44 -0.80 0.28 0.00 0.21 0.00 0.00 52.86 52.99 1pyg s ASN 727 Cb -0.24 -0.70 1.00 0.00 -0.55 0.00 0.00 41.25 40.76 1pyg s ASN 727 CO 0.30 -0.27 1.85 0.00 -2.79 0.00 0.00 177.10 176.18 1pyg h ALA 728 N 8.20 0.99 -0.39 1.71 0.00 -1.89 -3.16 119.26 124.72 1pyg h ALA 728 Ca -0.17 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.68 1pyg h ALA 728 Cb 1.11 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1pyg h ALA 728 CO 0.35 0.12 0.26 0.37 0.00 0.00 0.00 179.25 180.35 1pyg h GLN 729 N 0.00 0.39 -0.54 0.00 5.75 -1.94 0.41 115.11 119.18 1pyg h GLN 729 Ca -0.00 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.57 1pyg h GLN 729 Cb 0.71 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1pyg h GLN 729 CO 0.01 0.26 0.36 0.93 -2.65 0.00 0.00 178.83 177.74 1pyg h GLU 730 N 0.40 0.30 0.10 1.69 5.08 -1.98 0.15 114.58 120.33 1pyg h GLU 730 Ca 0.16 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.21 1pyg h GLU 730 Cb 0.14 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.36 1pyg h GLU 730 CO -0.04 0.20 -1.22 1.88 -1.00 0.00 0.00 179.01 178.83 1pyg h TYR 731 N 0.31 1.03 -0.26 4.33 0.05 -1.14 -2.74 116.97 118.56 1pyg h TYR 731 Ca 0.25 -0.64 0.02 0.00 0.05 0.00 0.00 58.73 58.41 1pyg h TYR 731 Cb 0.57 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1pyg h TYR 731 CO -0.00 1.47 0.13 -0.92 -1.05 0.00 0.00 178.16 177.80 1pyg h TYR 732 N 0.30 0.25 -0.87 4.88 3.20 -0.86 -1.96 116.97 121.90 1pyg h TYR 732 Ca -0.18 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.71 1pyg h TYR 732 Cb 1.89 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 40.04 1pyg h TYR 732 CO 0.11 0.14 0.58 -0.44 -1.64 0.00 0.00 178.16 176.91 1pyg h ASP 733 N 0.28 0.99 -0.55 -2.11 3.32 -0.79 -2.98 116.42 114.58 1pyg h ASP 733 Ca 0.11 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1pyg h ASP 733 Cb 0.02 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1pyg h ASP 733 CO -0.07 0.71 0.00 -2.11 -1.72 0.00 0.00 179.24 176.05 1pyg n ARG 734 N -4.49 3.82 -3.65 3.56 1.85 -0.99 -4.80 116.66 111.96 1pyg n ARG 734 Ca 0.10 -2.88 -0.28 0.00 -1.00 0.00 0.00 57.85 53.78 1pyg n ARG 734 Cb 0.03 -1.92 -0.16 0.00 -1.05 0.00 0.00 32.46 29.36 1pyg n ARG 734 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1pyg s ILE 735 N -2.13 0.31 0.09 8.89 1.01 -0.77 -5.05 121.20 123.55 1pyg s ILE 735 Ca 0.49 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 1pyg s ILE 735 Cb 0.33 -1.09 -0.15 0.00 0.01 0.00 0.00 42.46 41.56 1pyg s ILE 735 CO 0.20 -0.50 1.70 -0.65 0.00 0.00 0.00 174.94 175.69 1pyg h PRO 736 N 8.29 -0.26 -0.89 2.79 0.11 -1.87 -1.02 132.00 139.15 1pyg h PRO 736 Ca -0.17 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.10 1pyg h PRO 736 Cb 1.06 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 1pyg h PRO 736 CO 0.39 -0.17 0.49 0.93 -0.21 0.00 0.00 178.00 179.43 1pyg h GLU 737 N -0.27 0.69 -0.31 1.05 5.08 -1.96 0.98 114.58 119.84 1pyg h GLU 737 Ca -0.02 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 1pyg h GLU 737 Cb 0.22 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pyg h GLU 737 CO 0.02 0.46 -0.31 1.25 -1.00 0.00 0.00 179.01 179.43 1pyg h LEU 738 N 0.71 0.81 -0.74 1.33 5.85 -1.91 -2.57 115.31 118.80 1pyg h LEU 738 Ca 0.47 -0.47 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1pyg h LEU 738 Cb 0.62 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1pyg h LEU 738 CO -0.34 1.12 0.43 -0.09 -0.34 0.00 0.00 178.44 179.22 1pyg h ARG 739 N 0.53 0.76 -0.53 1.25 2.43 0.22 -1.78 114.38 117.25 1pyg h ARG 739 Ca 0.05 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pyg h ARG 739 Cb 0.89 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1pyg h ARG 739 CO 0.08 0.51 0.33 0.37 -1.51 0.00 0.00 179.97 179.74 1pyg h GLN 740 N 0.79 0.72 -0.53 0.20 4.15 -0.86 -0.82 115.11 118.77 1pyg h GLN 740 Ca 0.33 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.67 1pyg h GLN 740 Cb 0.19 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1pyg h GLN 740 CO -0.18 0.52 0.25 0.82 -1.93 0.00 0.00 178.83 178.30 1pyg h ILE 741 N 0.72 1.20 -0.16 2.39 2.04 -0.93 -0.54 117.51 122.23 1pyg h ILE 741 Ca 0.19 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 1pyg h ILE 741 Cb -0.02 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 1pyg h ILE 741 CO -0.04 0.23 -0.30 0.40 0.00 0.00 0.00 178.15 178.45 1pyg h ILE 742 N 0.70 1.27 -0.13 -0.67 5.03 -1.00 -0.96 117.51 121.74 1pyg h ILE 742 Ca 0.18 -1.27 -0.03 0.00 -0.12 0.00 0.00 64.86 63.62 1pyg h ILE 742 Cb 0.13 1.47 -0.01 0.00 -3.03 0.00 0.00 36.82 35.39 1pyg h ILE 742 CO -0.02 0.39 -0.04 -0.33 -0.68 0.00 0.00 178.15 177.46 1pyg h GLU 743 N 0.27 0.19 0.01 2.37 5.08 -0.30 -0.34 114.58 121.86 1pyg h GLU 743 Ca 0.04 -0.03 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 1pyg h GLU 743 Cb 0.66 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.90 1pyg h GLU 743 CO 0.05 0.25 -1.05 1.96 -1.00 0.00 0.00 179.01 179.22 1pyg h GLN 744 N 0.19 0.62 -0.47 2.33 4.20 0.05 -3.03 115.11 119.01 1pyg h GLN 744 Ca 0.04 -0.69 -0.09 0.00 0.06 0.00 0.00 58.65 57.97 1pyg h GLN 744 Cb 0.20 0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1pyg h GLN 744 CO 0.01 1.28 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.31 1pyg h LEU 745 N 0.34 0.81 -0.08 1.46 3.38 -0.74 -2.45 115.31 118.03 1pyg h LEU 745 Ca -0.12 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1pyg h LEU 745 Cb 1.70 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1pyg h LEU 745 CO 0.20 0.92 0.00 -1.20 0.09 0.00 0.00 178.44 178.45 1pyg n SER 746 N -4.17 0.52 -0.74 -0.43 7.64 -0.18 -3.87 113.62 112.39 1pyg n SER 746 Ca 0.02 0.56 0.08 0.00 1.01 0.00 0.00 58.87 60.54 1pyg n SER 746 Cb 0.35 -0.70 0.13 0.00 -1.01 0.00 0.00 64.21 62.99 1pyg n SER 746 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1pyg n SER 747 N -2.00 2.74 0.00 6.43 3.41 -0.95 -4.78 113.62 118.48 1pyg n SER 747 Ca 0.05 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 1pyg n SER 747 Cb 0.37 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1pyg n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pyg n GLY 748 N 0.88 0.71 0.26 5.00 0.00 -1.17 -4.82 105.19 106.05 1pyg n GLY 748 Ca 0.12 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1pyg n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pyg h PHE 749 N 0.00 0.51 -0.56 1.61 3.57 -1.80 0.21 116.94 120.48 1pyg h PHE 749 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pyg h PHE 749 Cb 0.00 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1pyg h PHE 749 CO 0.00 0.14 0.00 1.19 -2.23 0.00 0.00 178.31 177.41 1pyg n PHE 750 N -4.95 0.94 -2.73 0.41 3.72 -1.26 -4.41 117.46 109.18 1pyg n PHE 750 Ca 0.11 -0.42 -0.08 0.00 -0.05 0.00 0.00 57.45 57.00 1pyg n PHE 750 Cb 0.30 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.85 1pyg n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pyg n SER 751 N 1.09 -2.38 -0.03 4.37 3.41 0.02 -4.64 113.62 115.46 1pyg n SER 751 Ca 0.20 -3.47 -0.01 0.00 -0.26 0.00 0.00 58.87 55.32 1pyg n SER 751 Cb 0.59 1.85 0.26 0.00 -0.26 0.00 0.00 64.21 66.64 1pyg n SER 751 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1pyg h PRO 752 N 3.16 0.59 0.00 4.33 0.13 -0.89 -0.12 132.00 139.21 1pyg h PRO 752 Ca -0.13 -0.14 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1pyg h PRO 752 Cb 1.09 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1pyg h PRO 752 CO 0.16 0.62 -0.00 1.57 -0.23 0.00 0.00 178.00 180.12 1pyg h LYS 753 N 0.56 0.00 -1.28 0.86 -0.00 -1.96 -3.34 116.57 111.41 1pyg h LYS 753 Ca 0.12 0.00 -0.31 0.00 -0.00 0.00 0.00 60.65 60.46 1pyg h LYS 753 Cb 0.37 0.00 -0.23 0.00 -0.00 0.00 0.00 32.23 32.37 1pyg h LYS 753 CO 0.01 0.00 -0.67 1.04 -0.00 0.00 0.00 179.45 179.84 1pyg n GLN 754 N -3.09 0.50 -0.30 0.07 6.02 -0.12 -5.07 117.38 115.38 1pyg n GLN 754 Ca -0.01 -2.38 0.16 0.00 -0.01 0.00 0.00 57.00 54.77 1pyg n GLN 754 Cb 0.24 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.41 1pyg n GLN 754 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1pyg h PRO 755 N 4.93 0.57 -0.12 -1.09 0.13 -1.52 -2.65 132.00 132.25 1pyg h PRO 755 Ca 0.08 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1pyg h PRO 755 Cb 1.03 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1pyg h PRO 755 CO 0.19 0.38 0.00 -0.40 -0.23 0.00 0.00 178.00 177.93 1pyg n ASP 756 N -4.63 0.97 -0.10 1.44 5.68 -1.26 -3.41 116.55 115.24 1pyg n ASP 756 Ca 0.21 -1.70 -0.08 0.00 -0.50 0.00 0.00 54.79 52.72 1pyg n ASP 756 Cb 0.64 -0.08 -0.01 0.00 -1.14 0.00 0.00 41.12 40.53 1pyg n ASP 756 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1pyg h LEU 757 N 1.22 -1.01 -1.04 -2.12 5.85 -1.82 -2.72 115.31 113.68 1pyg h LEU 757 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1pyg h LEU 757 Cb 0.27 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1pyg h LEU 757 CO 0.00 -0.31 0.00 0.49 -0.34 0.00 0.00 178.44 178.28 1pyg n PHE 758 N -5.41 0.38 -0.32 1.25 3.72 -1.26 -4.38 117.46 111.43 1pyg n PHE 758 Ca 0.01 -0.18 0.21 0.00 -0.05 0.00 0.00 57.45 57.44 1pyg n PHE 758 Cb 0.33 -0.02 0.42 0.00 -0.94 0.00 0.00 39.48 39.27 1pyg n PHE 758 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1pyg h LYS 759 N 1.50 0.24 -0.97 -1.08 1.79 -1.76 -1.27 116.57 115.02 1pyg h LYS 759 Ca 0.00 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 1pyg h LYS 759 Cb 0.41 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 1pyg h LYS 759 CO 0.02 0.16 0.62 -0.44 -1.08 0.00 0.00 179.45 178.73 1pyg h ASP 760 N 0.25 1.00 0.65 0.86 3.32 -1.84 -0.35 116.42 120.31 1pyg h ASP 760 Ca 0.69 0.01 -0.27 0.00 0.02 0.00 0.00 57.03 57.47 1pyg h ASP 760 Cb 1.54 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.88 1pyg h ASP 760 CO -0.65 0.64 -1.25 0.16 -1.72 0.00 0.00 179.24 176.42 1pyg h ILE 761 N 1.14 1.48 0.17 0.35 3.07 -1.59 -3.15 117.51 118.99 1pyg h ILE 761 Ca 0.41 -3.07 -0.00 0.00 1.55 0.00 0.00 64.86 63.75 1pyg h ILE 761 Cb 0.14 2.91 -0.00 0.00 -0.27 0.00 0.00 36.82 39.60 1pyg h ILE 761 CO -0.17 0.89 -0.11 0.58 -1.05 0.00 0.00 178.15 178.29 1pyg h VAL 762 N 0.07 0.76 -0.66 0.16 2.07 -1.04 -0.11 116.25 117.50 1pyg h VAL 762 Ca -0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1pyg h VAL 762 Cb 1.96 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1pyg h VAL 762 CO 0.19 0.00 0.39 -1.13 0.02 0.00 0.00 177.57 177.04 1pyg h ASN 763 N -0.28 0.78 0.01 0.57 -0.73 -1.18 -1.50 115.58 113.25 1pyg h ASN 763 Ca -0.01 -0.04 -0.00 0.00 1.87 0.00 0.00 56.30 58.11 1pyg h ASN 763 Cb 0.24 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1pyg h ASN 763 CO 0.01 0.61 -0.00 -0.03 -0.37 0.00 0.00 177.43 177.64 1pyg h MET 764 N 0.90 -0.01 -0.75 6.67 4.05 -1.42 0.54 114.93 124.92 1pyg h MET 764 Ca 0.24 0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.78 1pyg h MET 764 Cb -0.03 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 30.69 1pyg h MET 764 CO -0.04 0.53 0.34 -0.07 0.23 0.00 0.00 176.91 177.89 1pyg h LEU 765 N -0.55 0.38 -0.59 3.39 3.38 -0.89 0.35 115.31 120.78 1pyg h LEU 765 Ca -0.00 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1pyg h LEU 765 Cb 0.54 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1pyg h LEU 765 CO 0.00 0.18 -0.65 0.24 0.09 0.00 0.00 178.44 178.30 1pyg h MET 766 N 0.53 0.23 0.00 1.13 2.86 -1.13 -3.41 114.93 115.14 1pyg h MET 766 Ca 0.40 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1pyg h MET 766 Cb 0.53 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1pyg h MET 766 CO -0.35 0.80 0.00 0.72 1.06 0.00 0.00 176.91 179.14 1pyg n HIS 767 N -3.84 0.00 -2.49 -0.22 8.25 0.19 -4.40 115.22 112.72 1pyg n HIS 767 Ca -0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1pyg n HIS 767 Cb 0.65 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.78 1pyg n HIS 767 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1pyg n HIS 768 N 0.00 0.02 -2.96 4.41 8.25 0.11 -4.97 115.22 120.09 1pyg n HIS 768 Ca 0.00 -0.54 -0.44 0.00 -0.26 0.00 0.00 57.72 56.48 1pyg n HIS 768 Cb 0.04 -0.12 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 1pyg n HIS 768 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1pyg s ASP 769 N -1.99 6.82 0.62 0.41 2.15 -0.23 -4.85 116.67 119.59 1pyg s ASP 769 Ca 0.32 -2.47 0.37 0.00 0.43 0.00 0.00 52.55 51.20 1pyg s ASP 769 Cb 0.37 -2.39 2.04 0.00 -0.30 0.00 0.00 42.92 42.65 1pyg s ASP 769 CO -0.16 -0.91 2.28 0.03 -0.17 0.00 0.00 175.17 176.24 1pyg h ARG 770 N 8.10 0.00 -0.45 4.34 3.08 -1.96 -2.97 114.38 124.52 1pyg h ARG 770 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1pyg h ARG 770 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1pyg h ARG 770 CO 1.15 0.01 0.00 1.19 -1.07 0.00 0.00 179.97 181.25 1pyg n PHE 771 N -3.42 0.59 -3.44 3.04 3.72 -1.26 -4.99 117.46 111.70 1pyg n PHE 771 Ca -0.03 -0.29 -0.20 0.00 -0.05 0.00 0.00 57.45 56.88 1pyg n PHE 771 Cb 0.11 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.73 1pyg n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1pyg n LYS 772 N 1.44 -6.91 -0.01 -1.08 5.02 -1.12 -4.68 118.16 110.81 1pyg n LYS 772 Ca 0.20 0.78 -0.10 0.00 -2.02 0.00 0.00 58.31 57.17 1pyg n LYS 772 Cb 0.59 -5.64 -0.04 0.00 -0.02 0.00 0.00 35.03 29.91 1pyg n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pyg h VAL 773 N -2.21 0.98 -0.52 -0.18 2.07 -1.93 -2.18 116.25 112.28 1pyg h VAL 773 Ca -0.54 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1pyg h VAL 773 Cb 1.33 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1pyg h VAL 773 CO 0.50 0.02 0.25 -0.26 0.02 0.00 0.00 177.57 178.10 1pyg h PHE 774 N 0.13 0.72 0.00 1.57 -1.00 -1.93 -1.56 116.94 114.86 1pyg h PHE 774 Ca 0.06 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1pyg h PHE 774 Cb 0.02 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.35 1pyg h PHE 774 CO -0.10 0.53 0.00 0.00 -1.61 0.00 0.00 178.31 177.13 1pyg h ALA 775 N 1.55 1.00 -0.01 2.45 0.00 -1.80 -2.69 119.26 119.76 1pyg h ALA 775 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pyg h ALA 775 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1pyg h ALA 775 CO -0.02 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.98 1pyg n ASP 776 N -2.29 1.83 0.19 0.00 8.00 -0.61 -4.82 116.55 118.85 1pyg n ASP 776 Ca 0.01 -1.80 -0.08 0.00 0.71 0.00 0.00 54.79 53.63 1pyg n ASP 776 Cb 0.16 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.22 1pyg n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1pyg h TYR 777 N 0.09 -0.48 -0.96 1.24 3.20 -1.23 -2.29 116.97 116.54 1pyg h TYR 777 Ca 0.00 -0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.07 1pyg h TYR 777 Cb 0.41 0.16 -0.18 0.00 1.54 0.00 0.00 36.73 38.66 1pyg h TYR 777 CO 0.01 -0.30 -0.15 1.49 -1.64 0.00 0.00 178.16 177.56 1pyg h GLU 778 N -0.75 0.01 -0.60 1.82 4.81 -1.90 0.14 114.58 118.10 1pyg h GLU 778 Ca -0.05 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.10 1pyg h GLU 778 Cb 0.40 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1pyg h GLU 778 CO 0.09 0.00 0.09 0.93 -0.73 0.00 0.00 179.01 179.39 1pyg h GLU 779 N 0.01 1.00 -0.31 1.92 4.39 -1.92 -0.94 114.58 118.73 1pyg h GLU 779 Ca 0.50 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.91 1pyg h GLU 779 Cb 0.85 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1pyg h GLU 779 CO -0.96 0.95 0.12 -0.92 -1.16 0.00 0.00 179.01 177.04 1pyg h TYR 780 N 0.91 0.47 -0.30 4.33 3.20 -0.18 0.16 116.97 125.56 1pyg h TYR 780 Ca 0.18 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1pyg h TYR 780 Cb 0.43 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1pyg h TYR 780 CO 0.03 0.45 -0.12 0.28 -1.64 0.00 0.00 178.16 177.17 1pyg h VAL 781 N 0.35 1.29 -0.71 1.81 2.07 -1.06 0.56 116.25 120.57 1pyg h VAL 781 Ca 0.10 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.49 1pyg h VAL 781 Cb 0.18 1.45 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 1pyg h VAL 781 CO -0.01 0.38 0.41 0.11 0.02 0.00 0.00 177.57 178.49 1pyg h LYS 782 N 0.36 0.74 -0.47 1.57 1.57 -1.11 -0.24 116.57 118.99 1pyg h LYS 782 Ca 0.07 -0.04 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1pyg h LYS 782 Cb 0.63 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 1pyg h LYS 782 CO 0.04 0.49 -0.17 0.00 -0.57 0.00 0.00 179.45 179.24 1pyg h GLN 784 N 0.80 1.11 -0.37 0.00 1.08 -0.38 -0.25 115.11 117.10 1pyg h GLN 784 Ca 0.12 -0.07 -0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1pyg h GLN 784 Cb 0.71 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 1pyg h GLN 784 CO 0.05 0.73 0.16 0.93 -0.95 0.00 0.00 178.83 179.76 1pyg h GLU 785 N 1.14 0.54 -0.76 1.46 5.08 -0.81 -1.36 114.58 119.88 1pyg h GLU 785 Ca 0.41 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.75 1pyg h GLU 785 Cb 0.12 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 1pyg h GLU 785 CO -0.16 0.50 0.50 0.00 -1.00 0.00 0.00 179.01 178.85 1pyg h ARG 786 N 0.45 0.76 -0.22 2.33 3.08 -0.91 -1.70 114.38 118.17 1pyg h ARG 786 Ca 0.12 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1pyg h ARG 786 Cb 0.15 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1pyg h ARG 786 CO -0.01 0.50 0.11 0.28 -1.07 0.00 0.00 179.97 179.78 1pyg h VAL 787 N 0.78 1.13 -0.03 2.04 2.07 0.02 -2.07 116.25 120.19 1pyg h VAL 787 Ca 0.33 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 1pyg h VAL 787 Cb 0.28 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1pyg h VAL 787 CO -0.11 0.13 -0.39 0.28 0.02 0.00 0.00 177.57 177.49 1pyg h SER 788 N 0.24 0.05 -0.42 0.57 0.02 -0.96 0.23 113.55 113.28 1pyg h SER 788 Ca 0.08 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1pyg h SER 788 Cb 0.10 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 1pyg h SER 788 CO -0.01 0.44 0.13 0.00 -1.14 0.00 0.00 176.83 176.25 1pyg h ALA 789 N 1.56 0.55 -0.34 3.77 0.00 -1.03 0.38 119.26 124.15 1pyg h ALA 789 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1pyg h ALA 789 Cb 0.71 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1pyg h ALA 789 CO 0.05 0.19 -0.47 1.25 0.00 0.00 0.00 179.25 180.28 1pyg h LEU 790 N 0.53 1.00 -0.50 0.00 5.85 -0.94 -3.04 115.31 118.20 1pyg h LEU 790 Ca 0.14 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1pyg h LEU 790 Cb 0.26 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 1pyg h LEU 790 CO -0.00 1.30 0.32 0.22 -0.34 0.00 0.00 178.44 179.94 1pyg h TYR 791 N 0.73 0.64 -0.41 1.25 3.20 -0.64 -1.39 116.97 120.34 1pyg h TYR 791 Ca 0.04 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.04 1pyg h TYR 791 Cb 1.07 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1pyg h TYR 791 CO 0.07 0.42 0.89 0.87 -1.64 0.00 0.00 178.16 178.77 1pyg h LYS 792 N 0.68 0.00 -3.15 1.82 1.57 -0.80 -3.27 116.57 113.42 1pyg h LYS 792 Ca 0.18 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.34 1pyg h LYS 792 Cb -0.05 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.84 1pyg h LYS 792 CO -0.04 0.00 -0.57 1.21 -0.57 0.00 0.00 179.45 179.48 1pyg s ASN 793 N -3.70 4.78 0.32 0.86 3.04 -0.52 -4.99 114.94 114.73 1pyg s ASN 793 Ca -0.02 -3.71 0.10 0.00 0.04 0.00 0.00 52.86 49.28 1pyg s ASN 793 Cb 0.08 -1.65 0.95 0.00 -1.54 0.00 0.00 41.25 39.09 1pyg s ASN 793 CO 0.28 -0.11 1.68 -0.65 -3.04 0.00 0.00 177.10 175.26 1pyg h PRO 794 N 5.61 0.38 -0.83 0.43 0.11 -1.77 0.32 132.00 136.24 1pyg h PRO 794 Ca 0.11 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1pyg h PRO 794 Cb 0.78 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1pyg h PRO 794 CO 0.72 0.25 0.42 -0.09 -0.21 0.00 0.00 178.00 179.10 1pyg h ARG 795 N 0.40 1.18 0.00 1.05 2.43 -1.93 -1.00 114.38 116.51 1pyg h ARG 795 Ca 0.67 -0.16 -0.14 0.00 -0.81 0.00 0.00 59.98 59.54 1pyg h ARG 795 Cb 1.41 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1pyg h ARG 795 CO -0.57 0.89 -0.66 0.93 -1.51 0.00 0.00 179.97 179.05 1pyg h GLU 796 N 1.17 0.00 0.54 0.20 4.39 -1.26 -0.03 114.58 119.59 1pyg h GLU 796 Ca 0.29 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1pyg h GLU 796 Cb 0.08 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1pyg h GLU 796 CO -0.04 0.66 -0.26 2.35 -1.16 0.00 0.00 179.01 180.56 1pyg h TRP 797 N 0.00 -0.68 -0.99 4.33 2.91 -1.26 -2.19 115.95 118.08 1pyg h TRP 797 Ca -0.01 -0.02 0.25 0.00 1.13 0.00 0.00 58.89 60.25 1pyg h TRP 797 Cb 1.35 0.22 -0.07 0.00 -0.51 0.00 0.00 29.16 30.15 1pyg h TRP 797 CO 0.00 -0.42 0.66 1.15 -1.03 0.00 0.00 178.44 178.80 1pyg h THR 798 N -1.06 0.57 -0.29 2.65 2.02 -1.17 0.39 112.91 116.03 1pyg h THR 798 Ca -0.07 -0.11 -0.15 0.00 0.77 0.00 0.00 66.41 66.84 1pyg h THR 798 Cb 0.56 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 1pyg h THR 798 CO 0.12 0.06 -0.43 0.03 0.37 0.00 0.00 175.52 175.67 1pyg h ARG 799 N 0.32 0.73 -0.29 6.66 3.08 -0.98 0.18 114.38 124.08 1pyg h ARG 799 Ca 0.53 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 60.06 1pyg h ARG 799 Cb 1.48 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.53 1pyg h ARG 799 CO -0.19 1.02 -0.34 1.98 -1.07 0.00 0.00 179.97 181.37 1pyg h MET 800 N 0.59 0.63 -0.57 0.04 4.05 0.38 -1.48 114.93 118.56 1pyg h MET 800 Ca 0.04 -0.29 -0.04 0.00 -0.28 0.00 0.00 59.70 59.13 1pyg h MET 800 Cb 0.98 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 1pyg h MET 800 CO 0.09 0.88 0.20 0.28 0.23 0.00 0.00 176.91 178.59 1pyg h VAL 801 N 0.53 1.21 -0.45 -5.77 2.07 -0.86 -0.36 116.25 112.62 1pyg h VAL 801 Ca 0.06 -0.71 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 1pyg h VAL 801 Cb 0.83 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1pyg h VAL 801 CO 0.07 0.27 -0.01 0.40 0.02 0.00 0.00 177.57 178.33 1pyg h ILE 802 N 0.82 1.26 -0.26 4.57 2.04 -0.55 -0.95 117.51 124.45 1pyg h ILE 802 Ca 0.19 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1pyg h ILE 802 Cb 0.21 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1pyg h ILE 802 CO -0.01 0.36 0.05 0.03 0.00 0.00 0.00 178.15 178.59 1pyg h ARG 803 N 0.64 0.36 0.04 2.37 3.08 -0.36 -0.98 114.38 119.54 1pyg h ARG 803 Ca 0.13 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1pyg h ARG 803 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1pyg h ARG 803 CO 0.02 0.35 -0.02 -0.91 -1.07 0.00 0.00 179.97 178.34 1pyg h ASN 804 N 0.36 -0.05 -0.32 7.04 -0.26 -0.87 -3.13 115.58 118.36 1pyg h ASN 804 Ca 0.09 -0.61 0.05 0.00 -0.56 0.00 0.00 56.30 55.27 1pyg h ASN 804 Cb 0.16 0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.38 1pyg h ASN 804 CO -0.00 0.64 0.01 0.40 -1.06 0.00 0.00 177.43 177.41 1pyg h ILE 805 N -0.79 0.78 -0.09 2.81 2.04 -0.88 -1.32 117.51 120.06 1pyg h ILE 805 Ca -0.01 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.84 1pyg h ILE 805 Cb 0.66 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1pyg h ILE 805 CO 0.01 0.02 0.09 0.00 0.00 0.00 0.00 178.15 178.27 1pyg h ALA 806 N 1.27 1.74 -0.49 1.87 0.00 -1.30 -1.92 119.26 120.42 1pyg h ALA 806 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pyg h ALA 806 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1pyg h ALA 806 CO -0.25 -0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.11 1pyg n THR 807 N -3.95 0.84 1.04 0.00 -2.24 -0.54 -2.36 114.28 107.06 1pyg n THR 807 Ca -0.01 -0.92 0.13 0.00 -2.27 0.00 0.00 64.05 60.99 1pyg n THR 807 Cb 0.19 0.65 0.62 0.00 -2.10 0.00 0.00 70.33 69.68 1pyg n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1pyg n SER 808 N 1.19 0.00 0.07 3.42 3.41 -0.72 -4.16 113.62 116.83 1pyg n SER 808 Ca 0.18 0.36 0.19 0.00 -0.26 0.00 0.00 58.87 59.34 1pyg n SER 808 Cb 0.53 -0.45 0.55 0.00 -0.26 0.00 0.00 64.21 64.58 1pyg n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1pyg h GLY 809 N 4.72 0.00 2.00 5.00 0.00 -1.76 0.13 103.07 113.15 1pyg h GLY 809 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1pyg h GLY 809 CO 0.00 0.00 -0.41 1.70 0.00 0.00 0.00 176.54 177.83 1pyg h LYS 810 N 0.00 0.00 -0.86 4.80 3.64 -1.88 -3.31 116.57 118.96 1pyg h LYS 810 Ca 0.23 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1pyg h LYS 810 Cb 1.76 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 33.51 1pyg h LYS 810 CO -0.00 0.41 0.15 1.19 -2.27 0.00 0.00 179.45 178.93 1pyg n PHE 811 N -3.67 1.41 -2.96 1.91 3.72 0.44 -4.87 117.46 113.44 1pyg n PHE 811 Ca -0.01 -0.75 -0.38 0.00 -0.05 0.00 0.00 57.45 56.26 1pyg n PHE 811 Cb 0.50 -0.46 -0.06 0.00 -0.94 0.00 0.00 39.48 38.52 1pyg n PHE 811 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pyg s SER 812 N -0.39 7.34 0.25 4.37 0.15 -1.25 -0.59 113.70 123.59 1pyg s SER 812 Ca 0.32 1.65 0.23 0.00 0.70 0.00 0.00 55.95 58.85 1pyg s SER 812 Cb 0.25 -2.50 0.98 0.00 -1.71 0.00 0.00 66.02 63.03 1pyg s SER 812 CO 0.08 0.13 1.69 -1.54 1.20 0.00 0.00 173.24 174.80 1pyg n SER 813 N 1.25 0.63 0.18 5.45 3.41 0.87 -1.80 113.62 123.62 1pyg n SER 813 Ca -0.04 0.67 0.03 0.00 -0.26 0.00 0.00 58.87 59.27 1pyg n SER 813 Cb 0.49 -0.80 0.31 0.00 -0.26 0.00 0.00 64.21 63.95 1pyg n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1pyg h ASP 814 N 0.00 0.00 -0.00 4.04 3.32 -1.92 0.50 116.42 122.36 1pyg h ASP 814 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1pyg h ASP 814 Cb 0.33 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.90 1pyg h ASP 814 CO 0.00 0.44 -0.68 -0.09 -1.72 0.00 0.00 179.24 177.19 1pyg h ARG 815 N 0.00 0.46 -0.30 3.56 2.43 -1.69 0.29 114.38 119.12 1pyg h ARG 815 Ca -0.00 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 58.67 1pyg h ARG 815 Cb 0.89 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1pyg h ARG 815 CO 0.06 1.14 0.16 1.15 -1.51 0.00 0.00 179.97 180.97 1pyg h THR 816 N -0.02 1.13 -0.25 0.20 2.02 -1.44 -2.16 112.91 112.40 1pyg h THR 816 Ca -0.08 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.61 1pyg h THR 816 Cb 1.38 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1pyg h THR 816 CO 0.13 0.13 -0.42 0.40 0.37 0.00 0.00 175.52 176.13 1pyg h ILE 817 N 0.37 1.30 0.00 3.11 1.08 -0.93 -0.28 117.51 122.16 1pyg h ILE 817 Ca 0.11 -1.60 -0.05 0.00 -0.39 0.00 0.00 64.86 62.93 1pyg h ILE 817 Cb 0.07 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.38 1pyg h ILE 817 CO -0.02 0.51 -0.22 0.00 -0.69 0.00 0.00 178.15 177.73 1pyg h ALA 818 N 1.04 1.37 -0.03 1.87 0.00 -0.84 -0.38 119.26 122.28 1pyg h ALA 818 Ca 0.04 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1pyg h ALA 818 Cb 0.94 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.71 1pyg h ALA 818 CO 0.08 0.28 -0.89 1.96 0.00 0.00 0.00 179.25 180.69 1pyg h GLN 819 N 0.00 0.66 0.08 0.00 4.20 -0.81 -2.47 115.11 116.76 1pyg h GLN 819 Ca -0.00 -0.67 0.01 0.00 0.06 0.00 0.00 58.65 58.05 1pyg h GLN 819 Cb 0.48 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1pyg h GLN 819 CO 0.03 1.26 -0.13 1.88 -0.67 0.00 0.00 178.83 181.21 1pyg h TYR 820 N 0.32 -0.33 -0.61 2.96 -1.99 -0.65 0.50 116.97 117.17 1pyg h TYR 820 Ca -0.10 0.01 0.12 0.00 2.00 0.00 0.00 58.73 60.76 1pyg h TYR 820 Cb 1.55 0.14 -0.12 0.00 2.00 0.00 0.00 36.73 40.30 1pyg h TYR 820 CO 0.11 -0.19 -0.19 0.00 -0.00 0.00 0.00 178.16 177.89 1pyg h ALA 821 N 0.64 0.33 0.00 3.88 0.00 -1.07 0.14 119.26 123.17 1pyg h ALA 821 Ca 0.02 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1pyg h ALA 821 Cb 0.27 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1pyg h ALA 821 CO -0.07 -0.47 -0.10 0.00 0.00 0.00 0.00 179.25 178.61 1pyg h ARG 822 N -0.04 0.00 0.01 0.00 -0.00 -1.38 0.48 114.38 113.46 1pyg h ARG 822 Ca 0.29 0.00 -0.23 0.00 -0.50 0.00 0.00 59.98 59.54 1pyg h ARG 822 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.42 1pyg h ARG 822 CO -0.65 0.92 -1.14 0.93 0.00 0.00 0.00 179.97 180.04 1pyg h GLU 823 N -1.00 0.02 0.00 0.04 5.08 -0.70 -3.34 114.58 114.68 1pyg h GLU 823 Ca -0.03 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.17 1pyg h GLU 823 Cb 0.95 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1pyg h GLU 823 CO -0.02 0.93 -1.18 -0.89 -1.00 0.00 0.00 179.01 176.86 1pyg n ILE 824 N -3.31 1.02 0.16 3.13 5.41 0.36 -4.79 119.36 121.34 1pyg n ILE 824 Ca -0.04 0.02 0.04 0.00 1.00 0.00 0.00 62.75 63.78 1pyg n ILE 824 Cb 0.97 -1.80 0.07 0.00 -0.71 0.00 0.00 39.64 38.16 1pyg n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 1pyg h TRP 825 N -0.48 0.00 -2.40 1.39 6.55 -1.20 -3.48 115.95 116.33 1pyg h TRP 825 Ca -0.19 0.00 -0.11 0.00 0.95 0.00 0.00 58.89 59.54 1pyg h TRP 825 Cb 0.93 0.00 0.04 0.00 -0.86 0.00 0.00 29.16 29.27 1pyg h TRP 825 CO -0.12 0.40 -0.19 0.41 -1.05 0.00 0.00 178.44 177.89 1pyg n GLY 826 N 1.15 0.52 3.23 1.49 0.00 0.14 -4.98 105.19 106.75 1pyg n GLY 826 Ca 0.02 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1pyg n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyg s VAL 827 N -3.09 1.20 -0.31 1.61 -7.23 0.31 -4.99 120.40 107.90 1pyg s VAL 827 Ca 0.16 -1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 58.40 1pyg s VAL 827 Cb -0.07 -1.62 -0.00 0.00 0.56 0.00 0.00 36.38 35.25 1pyg s VAL 827 CO 0.21 -0.57 0.14 -0.70 -0.31 0.00 0.00 175.10 173.87 1pyg s GLU 828 N -3.11 3.27 0.38 4.82 2.56 -1.26 -3.33 118.70 122.02 1pyg s GLU 828 Ca 0.11 -0.76 -0.28 0.00 0.00 0.00 0.00 54.97 54.04 1pyg s GLU 828 Cb -0.02 -3.54 -0.11 0.00 2.00 0.00 0.00 34.13 32.46 1pyg s GLU 828 CO 0.02 -0.44 1.43 -0.35 -0.56 0.00 0.00 175.26 175.36 1pyg n PRO 829 N 4.96 2.49 -5.01 4.30 -0.04 -1.26 -4.94 135.00 135.50 1pyg n PRO 829 Ca -0.14 0.88 -0.27 0.00 -0.04 0.00 0.00 63.50 63.92 1pyg n PRO 829 Cb 0.49 -2.59 -0.16 0.00 -0.04 0.00 0.00 33.50 31.20 1pyg n PRO 829 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pyg s SER 830 N -0.22 2.45 -0.30 3.54 0.15 -0.10 -5.01 113.70 114.21 1pyg s SER 830 Ca 0.55 -0.39 0.11 0.00 0.70 0.00 0.00 55.95 56.92 1pyg s SER 830 Cb -0.49 -0.40 0.68 0.00 -1.71 0.00 0.00 66.02 64.10 1pyg s SER 830 CO 0.63 0.23 1.70 0.54 1.20 0.00 0.00 173.24 177.54 1pyg n ARG 831 N 2.73 3.38 -3.13 5.44 1.74 -1.26 -3.10 116.66 122.46 1pyg n ARG 831 Ca -0.16 -3.07 -0.38 0.00 -0.77 0.00 0.00 57.85 53.48 1pyg n ARG 831 Cb 0.53 -2.11 -0.06 0.00 -1.02 0.00 0.00 32.46 29.80 1pyg n ARG 831 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pyg s GLN 832 N -3.00 4.31 0.27 5.56 -0.44 -1.26 -5.02 119.66 120.08 1pyg s GLN 832 Ca 0.52 0.89 -0.29 0.00 -2.50 0.00 0.00 55.36 53.98 1pyg s GLN 832 Cb 0.42 -3.09 -0.09 0.00 -1.64 0.00 0.00 33.01 28.61 1pyg s GLN 832 CO 0.11 0.52 1.06 1.03 0.50 0.00 0.00 175.29 178.50 1pyg s ARG 833 N -1.50 4.68 0.01 1.67 0.52 -1.26 -4.87 118.95 118.20 1pyg s ARG 833 Ca 0.37 1.71 -0.09 0.00 -0.52 0.00 0.00 55.73 57.20 1pyg s ARG 833 Cb -0.19 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.05 1pyg s ARG 833 CO 0.22 0.28 0.31 -1.17 0.02 0.00 0.00 175.30 174.95 1pyg s LEU 834 N -1.43 4.38 0.00 2.53 2.96 0.59 -5.02 118.68 122.69 1pyg s LEU 834 Ca 0.44 0.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.02 1pyg s LEU 834 Cb -0.30 -2.67 0.00 0.00 0.50 0.00 0.00 46.19 43.72 1pyg s LEU 834 CO 0.38 0.26 0.00 -2.65 -1.32 0.00 0.00 176.35 173.02 1pyg n PRO 835 N 1.26 0.00 0.00 0.98 -0.02 -1.26 -4.52 135.00 131.44 1pyg n PRO 835 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1pyg n PRO 835 Cb 0.53 -0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1pyg n PRO 835 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48