#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 0.00 2.89 5.02 -1.26 -4.15 118.16 120.66 1pyg n LYS 11 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 1pyg n LYS 11 Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.30 1pyg n LYS 11 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1pyg n GLN 12 N 0.00 0.22 -3.46 1.97 6.02 -1.26 -3.88 117.38 116.99 1pyg n GLN 12 Ca 0.00 0.12 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 1pyg n GLN 12 Cb 0.00 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.67 1pyg n GLN 12 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1pyg s ILE 13 N -2.36 4.99 -0.11 5.09 1.01 -1.26 -5.00 121.20 123.56 1pyg s ILE 13 Ca 0.12 -1.02 -0.12 0.00 0.00 0.00 0.00 60.65 59.63 1pyg s ILE 13 Cb 0.07 -3.93 0.03 0.00 0.01 0.00 0.00 42.46 38.64 1pyg s ILE 13 CO 0.15 -0.48 0.33 -0.55 0.00 0.00 0.00 174.94 174.38 1pyg s SER 14 N 2.23 -0.33 0.47 3.58 0.15 -1.25 -4.85 113.70 113.70 1pyg s SER 14 Ca 0.04 0.60 0.24 0.00 0.70 0.00 0.00 55.95 57.53 1pyg s SER 14 Cb -0.23 0.63 1.13 0.00 -1.71 0.00 0.00 66.02 65.85 1pyg s SER 14 CO 0.06 -0.15 1.94 -0.37 1.20 0.00 0.00 173.24 175.93 1pyg h VAL 15 N 4.55 0.68 -0.28 4.45 -1.51 -1.94 -3.40 116.25 118.80 1pyg h VAL 15 Ca -0.27 -0.89 0.06 0.00 -1.23 0.00 0.00 66.70 64.37 1pyg h VAL 15 Cb 1.19 1.57 -0.05 0.00 -2.13 0.00 0.00 31.29 31.86 1pyg h VAL 15 CO 0.31 0.20 -0.07 -1.14 -1.23 0.00 0.00 177.57 175.64 1pyg n ARG 16 N -3.61 -0.03 -0.09 5.19 0.00 -1.26 -2.87 116.66 113.99 1pyg n ARG 16 Ca -0.01 0.44 -0.12 0.00 -0.00 0.00 0.00 57.85 58.15 1pyg n ARG 16 Cb 0.34 -0.65 -0.05 0.00 0.00 0.00 0.00 32.46 32.10 1pyg n ARG 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1pyg n GLY 17 N -1.18 -0.67 0.00 5.14 0.00 -1.26 -4.80 105.19 102.42 1pyg n GLY 17 Ca 0.04 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1pyg n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pyg n LEU 18 N -4.47 0.00 -0.06 0.99 4.77 -1.14 -1.40 117.00 115.70 1pyg n LEU 18 Ca -0.21 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.64 1pyg n LEU 18 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1pyg n LEU 18 CO 0.15 0.00 0.57 0.00 -1.33 0.00 0.00 177.39 176.78 1pyg h ALA 19 N 0.00 0.25 0.00 -1.18 0.00 -1.87 -3.50 119.26 112.96 1pyg h ALA 19 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pyg h ALA 19 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1pyg h ALA 19 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1pyg n GLY 20 N 0.25 -0.87 3.72 0.00 0.00 -0.49 -4.93 105.19 102.87 1pyg n GLY 20 Ca -0.06 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 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 -1.58 3.08 -1.21 1.61 1.01 -1.26 -4.90 120.40 117.16 1pyg s VAL 21 Ca 0.00 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.59 1pyg s VAL 21 Cb 0.00 -3.50 0.12 0.00 0.00 0.00 0.00 36.38 33.00 1pyg s VAL 21 CO 0.00 0.06 1.54 -1.61 0.00 0.00 0.00 175.10 175.09 1pyg s GLU 22 N 1.04 3.97 0.17 2.72 2.02 -1.26 -4.71 118.70 122.65 1pyg s GLU 22 Ca 0.66 -2.16 -0.00 0.00 0.02 0.00 0.00 54.97 53.49 1pyg s GLU 22 Cb -0.39 -5.27 -0.04 0.00 0.10 0.00 0.00 34.13 28.53 1pyg s GLU 22 CO 0.31 -2.01 0.07 0.54 0.02 0.00 0.00 175.26 174.20 1pyg s ASN 23 N 3.65 0.45 0.31 -0.19 2.20 -1.26 -5.02 114.94 115.07 1pyg s ASN 23 Ca 0.47 -1.27 0.01 0.00 -0.94 0.00 0.00 52.86 51.13 1pyg s ASN 23 Cb 0.00 0.29 0.49 0.00 -2.00 0.00 0.00 41.25 40.03 1pyg s ASN 23 CO 0.02 -0.74 1.85 0.58 -2.94 0.00 0.00 177.10 175.86 1pyg h VAL 24 N 2.73 1.21 -0.08 3.54 2.07 -1.91 0.12 116.25 123.94 1pyg h VAL 24 Ca -0.36 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.36 1pyg h VAL 24 Cb 1.22 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1pyg h VAL 24 CO 0.58 0.29 0.04 0.74 0.02 0.00 0.00 177.57 179.24 1pyg h THR 25 N 0.67 1.10 -0.48 2.57 2.02 -1.97 0.65 112.91 117.47 1pyg h THR 25 Ca 0.15 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 1pyg h THR 25 Cb 0.31 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1pyg h THR 25 CO 0.00 0.09 0.03 -0.33 0.37 0.00 0.00 175.52 175.68 1pyg h GLU 26 N 0.02 0.83 -0.03 6.66 3.07 -1.80 -1.32 114.58 122.02 1pyg h GLU 26 Ca 0.03 -0.25 -0.08 0.00 -0.50 0.00 0.00 59.36 58.55 1pyg h GLU 26 Cb 0.11 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1pyg h GLU 26 CO -0.00 0.86 -0.37 -0.07 -1.40 0.00 0.00 179.01 178.03 1pyg h LEU 27 N 0.69 0.05 -0.19 1.33 -0.00 -0.16 -2.38 115.31 114.66 1pyg h LEU 27 Ca 0.14 -0.02 -0.15 0.00 -0.00 0.00 0.00 57.88 57.85 1pyg h LEU 27 Cb 0.47 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1pyg h LEU 27 CO 0.02 0.42 -0.48 0.11 -0.00 0.00 0.00 178.44 178.51 1pyg h LYS 28 N 0.04 0.66 -0.55 1.13 1.57 -0.58 -1.29 116.57 117.54 1pyg h LYS 28 Ca 0.00 -0.46 0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1pyg h LYS 28 Cb 0.68 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.98 1pyg h LYS 28 CO 0.05 1.08 0.11 0.87 -0.57 0.00 0.00 179.45 180.98 1pyg h LYS 29 N 0.34 0.23 -0.17 3.15 1.57 -0.93 -2.80 116.57 117.97 1pyg h LYS 29 Ca -0.01 -0.01 -0.21 0.00 -1.87 0.00 0.00 60.65 58.55 1pyg h LYS 29 Cb 1.10 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.36 1pyg h LYS 29 CO 0.10 0.15 -0.73 -0.91 -0.57 0.00 0.00 179.45 177.50 1pyg h ASN 30 N 0.24 0.89 -0.26 0.86 2.35 -1.37 -2.16 115.58 116.14 1pyg h ASN 30 Ca 0.28 -0.56 0.06 0.00 -0.55 0.00 0.00 56.30 55.54 1pyg h ASN 30 Cb 0.41 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.45 1pyg h ASN 30 CO -0.37 1.35 -0.20 0.15 -1.65 0.00 0.00 177.43 176.71 1pyg h PHE 31 N 0.53 -0.52 -0.77 1.19 3.04 -1.10 -1.54 116.94 117.78 1pyg h PHE 31 Ca -0.04 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1pyg h PHE 31 Cb 1.35 0.27 -0.04 0.00 2.56 0.00 0.00 35.95 40.09 1pyg h PHE 31 CO 0.08 -0.28 0.39 -0.91 -2.02 0.00 0.00 178.31 175.58 1pyg h ASN 32 N -0.19 0.99 0.01 0.41 2.35 -1.44 -0.65 115.58 117.06 1pyg h ASN 32 Ca 0.14 -0.12 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1pyg h ASN 32 Cb 0.41 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.49 1pyg h ASN 32 CO -0.37 0.83 -0.16 -0.09 -1.65 0.00 0.00 177.43 175.99 1pyg h ARG 33 N 1.08 -0.26 -0.97 0.81 2.43 -0.94 -1.71 114.38 114.82 1pyg h ARG 33 Ca 0.27 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 1pyg h ARG 33 Cb 0.08 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1pyg h ARG 33 CO -0.04 -0.17 0.61 0.45 -1.51 0.00 0.00 179.97 179.31 1pyg h HIS 34 N -0.27 1.25 -0.95 2.20 3.86 -1.06 0.41 115.15 120.60 1pyg h HIS 34 Ca 0.05 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1pyg h HIS 34 Cb 0.33 -0.42 -0.05 0.00 1.06 0.00 0.00 27.41 28.33 1pyg h HIS 34 CO -0.20 0.81 0.63 1.25 0.86 0.00 0.00 177.93 181.27 1pyg h LEU 35 N 1.33 1.06 0.00 2.43 5.85 -0.89 0.09 115.31 125.19 1pyg h LEU 35 Ca 0.35 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1pyg h LEU 35 Cb -0.10 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.67 1pyg h LEU 35 CO -0.07 0.75 -0.01 1.41 -0.34 0.00 0.00 178.44 180.18 1pyg n HIS 36 N -4.41 0.02 0.14 1.25 8.25 -0.66 -2.18 115.22 117.62 1pyg n HIS 36 Ca 0.12 0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.58 1pyg n HIS 36 Cb 0.05 -0.20 0.24 0.00 1.12 0.00 0.00 29.99 31.20 1pyg n HIS 36 CO 0.00 0.00 0.00 0.74 0.64 0.00 0.00 176.34 177.72 1pyg h PHE 37 N -0.02 0.09 0.00 4.41 0.04 -0.34 0.02 116.94 121.14 1pyg h PHE 37 Ca 0.00 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1pyg h PHE 37 Cb 0.01 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.14 1pyg h PHE 37 CO -0.01 0.55 -0.22 1.15 -0.60 0.00 0.00 178.31 179.18 1pyg h THR 38 N 0.06 0.91 -0.01 -1.55 2.02 -1.48 -3.36 112.91 109.51 1pyg h THR 38 Ca 0.00 -1.75 0.00 0.00 0.77 0.00 0.00 66.41 65.43 1pyg h THR 38 Cb 0.89 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1pyg h THR 38 CO 0.07 0.31 -0.16 0.18 0.37 0.00 0.00 175.52 176.28 1pyg n LEU 39 N -4.64 0.72 -3.79 2.58 4.77 -0.02 -4.91 117.00 111.71 1pyg n LEU 39 Ca -0.09 -0.12 -0.32 0.00 -0.03 0.00 0.00 56.01 55.45 1pyg n LEU 39 Cb 0.33 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 1pyg n LEU 39 CO 0.19 0.13 -0.11 0.52 -1.33 0.00 0.00 177.39 176.78 1pyg n VAL 40 N -0.80 -4.53 -4.40 4.08 0.31 -0.01 -4.98 118.33 108.01 1pyg n VAL 40 Ca 0.14 -0.53 -0.23 0.00 -0.01 0.00 0.00 64.34 63.71 1pyg n VAL 40 Cb 0.31 -3.52 -0.08 0.00 -0.91 0.00 0.00 33.84 29.64 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 -5.94 1.87 0.30 5.55 2.47 -0.93 -5.04 119.74 118.03 1pyg s LYS 41 Ca 0.32 -2.12 -0.12 0.00 -1.56 0.00 0.00 55.97 52.49 1pyg s LYS 41 Cb -0.14 -0.08 0.01 0.00 -1.46 0.00 0.00 37.83 36.15 1pyg s LYS 41 CO 0.90 -0.60 0.56 0.16 0.16 0.00 0.00 175.35 176.54 1pyg s ASP 42 N -3.49 0.16 0.28 1.43 -4.77 -1.26 -4.14 116.67 104.87 1pyg s ASP 42 Ca 0.32 -1.07 0.23 0.00 -3.30 0.00 0.00 52.55 48.73 1pyg s ASP 42 Cb 0.02 0.67 1.03 0.00 -1.09 0.00 0.00 42.92 43.56 1pyg s ASP 42 CO 0.22 -1.31 1.70 0.54 0.70 0.00 0.00 175.17 177.02 1pyg n ARG 43 N -0.46 0.18 0.18 2.11 1.74 -1.26 -1.59 116.66 117.56 1pyg n ARG 43 Ca -0.03 0.48 0.08 0.00 -0.77 0.00 0.00 57.85 57.61 1pyg n ARG 43 Cb 0.61 -1.90 0.13 0.00 -1.02 0.00 0.00 32.46 30.28 1pyg n ARG 43 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1pyg h ASN 44 N 0.00 0.00 -0.00 0.55 2.35 -2.04 -3.35 115.58 113.09 1pyg h ASN 44 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pyg h ASN 44 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1pyg h ASN 44 CO 0.00 0.24 -0.11 1.33 -1.65 0.00 0.00 177.43 177.24 1pyg n VAL 45 N -3.17 0.00 -2.34 2.81 0.24 -0.93 -5.02 118.33 109.92 1pyg n VAL 45 Ca 0.03 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.46 1pyg n VAL 45 Cb 0.61 1.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.95 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 -1.22 3.46 0.32 2.33 0.00 -0.62 -4.95 121.76 121.08 1pyg s ALA 46 Ca 0.01 0.95 0.04 0.00 0.00 0.00 0.00 51.96 52.96 1pyg s ALA 46 Cb 0.02 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.72 1pyg s ALA 46 CO 0.09 -0.48 0.36 0.25 0.00 0.00 0.00 175.76 175.99 1pyg n THR 47 N 3.63 0.00 -0.01 0.00 -2.24 -1.26 -4.98 114.28 109.43 1pyg n THR 47 Ca 0.09 -1.13 0.07 0.00 -2.27 0.00 0.00 64.05 60.81 1pyg n THR 47 Cb 0.45 -0.54 0.47 0.00 -2.10 0.00 0.00 70.33 68.61 1pyg n THR 47 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1pyg h PRO 48 N 0.00 0.44 -0.58 -0.78 0.11 -1.99 -2.85 132.00 126.34 1pyg h PRO 48 Ca -0.17 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.93 1pyg h PRO 48 Cb 0.70 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.68 1pyg h PRO 48 CO 0.25 0.29 0.38 -0.09 -0.21 0.00 0.00 178.00 178.62 1pyg h ARG 49 N 0.45 0.75 -0.24 1.05 2.43 -1.97 0.18 114.38 117.04 1pyg h ARG 49 Ca 0.18 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 1pyg h ARG 49 Cb 0.16 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1pyg h ARG 49 CO -0.04 0.50 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.26 1pyg h ASP 50 N 0.77 0.43 -0.17 -3.80 3.32 -1.89 -0.23 116.42 114.85 1pyg h ASP 50 Ca 0.22 -0.13 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 1pyg h ASP 50 Cb -0.07 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1pyg h ASP 50 CO -0.06 0.66 -0.53 1.88 -1.72 0.00 0.00 179.24 179.47 1pyg h TYR 51 N 0.39 0.95 0.29 4.55 0.05 -1.24 -1.17 116.97 120.79 1pyg h TYR 51 Ca 0.06 -0.33 -0.01 0.00 0.05 0.00 0.00 58.73 58.50 1pyg h TYR 51 Cb 0.60 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1pyg h TYR 51 CO 0.02 1.12 -0.14 -0.92 -1.05 0.00 0.00 178.16 177.19 1pyg h TYR 52 N 0.59 -0.36 -0.56 4.88 3.20 -0.38 -2.00 116.97 122.34 1pyg h TYR 52 Ca 0.02 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.95 1pyg h TYR 52 Cb 1.12 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 1pyg h TYR 52 CO 0.06 -0.22 0.37 0.74 -1.64 0.00 0.00 178.16 177.48 1pyg h PHE 53 N -0.39 0.50 -0.22 -3.82 0.04 -0.98 0.16 116.94 112.23 1pyg h PHE 53 Ca -0.04 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.63 1pyg h PHE 53 Cb 0.30 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1pyg h PHE 53 CO -0.06 0.26 -0.36 0.00 -0.60 0.00 0.00 178.31 177.56 1pyg h ALA 54 N 1.70 0.97 -0.15 2.45 0.00 -0.90 -1.33 119.26 122.01 1pyg h ALA 54 Ca 0.25 -0.41 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1pyg h ALA 54 Cb 0.34 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1pyg h ALA 54 CO -0.07 0.61 -0.71 1.25 0.00 0.00 0.00 179.25 180.33 1pyg h LEU 55 N 0.41 0.88 0.02 0.00 5.85 -0.55 -2.09 115.31 119.83 1pyg h LEU 55 Ca 0.04 -0.63 0.02 0.00 0.84 0.00 0.00 57.88 58.16 1pyg h LEU 55 Cb 0.82 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1pyg h LEU 55 CO 0.07 1.37 -0.19 0.00 -0.34 0.00 0.00 178.44 179.34 1pyg h ALA 56 N 0.54 -0.26 -0.70 1.25 0.00 -0.92 -2.82 119.26 116.35 1pyg h ALA 56 Ca -0.05 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1pyg h ALA 56 Cb 1.35 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1pyg h ALA 56 CO 0.15 -0.69 0.34 0.45 0.00 0.00 0.00 179.25 179.49 1pyg h HIS 57 N -0.32 1.01 -0.87 0.00 3.86 -1.29 -0.01 115.15 117.53 1pyg h HIS 57 Ca 0.05 -0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1pyg h HIS 57 Cb 0.38 -0.31 -0.06 0.00 1.06 0.00 0.00 27.41 28.48 1pyg h HIS 57 CO -0.23 0.75 0.56 1.15 0.86 0.00 0.00 177.93 181.02 1pyg h THR 58 N 0.98 0.92 0.15 2.45 2.02 -1.14 -2.78 112.91 115.51 1pyg h THR 58 Ca 0.24 -0.27 -0.31 0.00 0.77 0.00 0.00 66.41 66.85 1pyg h THR 58 Cb 0.12 0.07 0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1pyg h THR 58 CO -0.03 0.14 -1.30 0.58 0.37 0.00 0.00 175.52 175.28 1pyg h VAL 59 N 0.78 1.29 -0.84 3.16 2.07 -1.25 -3.33 116.25 118.13 1pyg h VAL 59 Ca 0.42 -2.52 0.07 0.00 0.82 0.00 0.00 66.70 65.48 1pyg h VAL 59 Cb 0.53 2.77 -0.06 0.00 -1.52 0.00 0.00 31.29 33.00 1pyg h VAL 59 CO -0.18 0.77 0.50 -0.09 0.02 0.00 0.00 177.57 178.59 1pyg h ARG 60 N 0.25 0.87 -0.87 1.57 2.43 -0.74 -0.96 114.38 116.94 1pyg h ARG 60 Ca -0.20 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.03 1pyg h ARG 60 Cb 1.97 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 31.26 1pyg h ARG 60 CO 0.25 0.58 0.56 -0.44 -1.51 0.00 0.00 179.97 179.40 1pyg h ASP 61 N 0.90 0.72 0.01 -3.80 3.32 -1.61 0.13 116.42 116.09 1pyg h ASP 61 Ca 0.38 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.29 1pyg h ASP 61 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1pyg h ASP 61 CO -0.20 0.41 -0.54 0.45 -1.72 0.00 0.00 179.24 177.64 1pyg h HIS 62 N 0.79 0.71 0.21 4.55 3.86 -1.34 -2.33 115.15 121.61 1pyg h HIS 62 Ca 0.41 -0.25 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1pyg h HIS 62 Cb 0.51 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1pyg h HIS 62 CO -0.00 0.98 -0.10 1.25 0.86 0.00 0.00 177.93 180.92 1pyg h LEU 63 N 0.44 -0.24 0.11 2.43 5.85 -0.79 -3.14 115.31 119.96 1pyg h LEU 63 Ca 0.01 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1pyg h LEU 63 Cb 1.08 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1pyg h LEU 63 CO 0.10 -0.01 -0.05 0.58 -0.34 0.00 0.00 178.44 178.73 1pyg h VAL 64 N -0.47 0.91 -0.82 1.05 2.07 -0.73 -0.09 116.25 118.17 1pyg h VAL 64 Ca -0.03 -0.04 0.20 0.00 0.82 0.00 0.00 66.70 67.65 1pyg h VAL 64 Cb 0.36 0.93 -0.13 0.00 -1.52 0.00 0.00 31.29 30.93 1pyg h VAL 64 CO 0.05 0.01 0.16 1.23 0.02 0.00 0.00 177.57 179.04 1pyg h GLY 65 N -0.16 1.14 1.51 2.17 0.00 -1.51 0.14 103.07 106.36 1pyg h GLY 65 Ca -0.01 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1pyg h GLY 65 CO 0.02 -0.31 -0.29 3.21 0.00 0.00 0.00 176.54 179.18 1pyg h ARG 66 N 0.19 0.56 -0.46 4.80 3.08 -1.42 -1.40 114.38 119.73 1pyg h ARG 66 Ca 0.48 -0.23 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1pyg h ARG 66 Cb 0.91 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 1pyg h ARG 66 CO -0.63 0.79 0.19 2.35 -1.07 0.00 0.00 179.97 181.61 1pyg h TRP 67 N 0.49 0.69 0.16 3.04 7.01 0.11 -1.15 115.95 126.30 1pyg h TRP 67 Ca 0.06 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 1pyg h TRP 67 Cb 0.75 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.60 1pyg h TRP 67 CO 0.03 0.58 -0.08 0.82 -2.79 0.00 0.00 178.44 177.00 1pyg h ILE 68 N 0.60 0.95 -0.46 2.65 2.04 -0.64 0.45 117.51 123.09 1pyg h ILE 68 Ca 0.15 -0.53 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1pyg h ILE 68 Cb 0.17 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1pyg h ILE 68 CO -0.01 0.12 0.31 0.03 0.00 0.00 0.00 178.15 178.59 1pyg h ARG 69 N -0.48 0.51 0.12 2.37 3.08 -1.20 -1.22 114.38 117.56 1pyg h ARG 69 Ca -0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1pyg h ARG 69 Cb 0.37 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1pyg h ARG 69 CO 0.04 0.33 -0.06 1.15 -1.07 0.00 0.00 179.97 180.36 1pyg h THR 70 N 0.52 1.07 -0.09 2.04 2.02 -0.95 -2.71 112.91 114.81 1pyg h THR 70 Ca 0.18 -0.92 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 1pyg h THR 70 Cb 0.09 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 1pyg h THR 70 CO -0.05 0.21 -0.29 1.56 0.37 0.00 0.00 175.52 177.33 1pyg h GLN 71 N -0.60 0.17 0.00 6.66 1.08 -0.31 0.13 115.11 122.23 1pyg h GLN 71 Ca -0.02 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 1pyg h GLN 71 Cb 0.47 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1pyg h GLN 71 CO 0.03 0.45 -0.45 1.96 -0.95 0.00 0.00 178.83 179.87 1pyg h GLN 72 N 0.15 0.00 -0.27 1.46 4.20 -1.30 -2.92 115.11 116.43 1pyg h GLN 72 Ca 0.02 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 1pyg h GLN 72 Cb 0.60 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1pyg h GLN 72 CO 0.04 0.45 -0.46 1.25 -0.67 0.00 0.00 178.83 179.45 1pyg h HIS 73 N 0.00 0.85 -0.07 2.96 2.76 -0.44 -2.11 115.15 119.09 1pyg h HIS 73 Ca -0.00 -0.27 -0.06 0.00 -2.20 0.00 0.00 60.37 57.83 1pyg h HIS 73 Cb 0.85 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1pyg h HIS 73 CO 0.00 1.03 -0.24 1.88 -1.30 0.00 0.00 177.93 179.30 1pyg h TYR 74 N 0.56 0.13 0.00 5.26 0.05 -1.14 -1.27 116.97 120.56 1pyg h TYR 74 Ca 0.03 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.72 1pyg h TYR 74 Cb 1.01 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.71 1pyg h TYR 74 CO 0.05 0.36 -0.34 1.88 -1.05 0.00 0.00 178.16 179.05 1pyg h TYR 75 N 0.11 0.00 -0.17 4.88 -1.99 -1.42 0.71 116.97 119.10 1pyg h TYR 75 Ca 0.02 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.66 1pyg h TYR 75 Cb 0.49 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.22 1pyg h TYR 75 CO 0.00 0.34 -0.23 0.93 -0.00 0.00 0.00 178.16 179.20 1pyg h GLU 76 N 0.00 0.45 0.15 4.88 5.08 -0.63 -3.35 114.58 121.17 1pyg h GLU 76 Ca -0.00 -0.27 -0.31 0.00 -1.00 0.00 0.00 59.36 57.79 1pyg h GLU 76 Cb 1.04 0.02 0.03 0.00 0.50 0.00 0.00 28.75 30.34 1pyg h GLU 76 CO 0.04 0.85 -1.29 0.87 -1.00 0.00 0.00 179.01 178.49 1pyg h LYS 77 N 0.09 0.59 -4.82 2.33 6.56 -1.28 -3.50 116.57 116.55 1pyg h LYS 77 Ca 0.02 -0.83 -0.20 0.00 -1.06 0.00 0.00 60.65 58.58 1pyg h LYS 77 Cb 0.80 0.28 0.15 0.00 -0.57 0.00 0.00 32.23 32.89 1pyg h LYS 77 CO 0.05 1.38 -0.63 -3.47 -2.06 0.00 0.00 179.45 174.72 1pyg n ASP 78 N -3.76 -4.93 -3.21 0.86 2.03 0.24 -5.05 116.55 102.73 1pyg n ASP 78 Ca -0.14 -0.52 -0.30 0.00 0.52 0.00 0.00 54.79 54.35 1pyg n ASP 78 Cb 1.01 -4.02 0.29 0.00 -0.72 0.00 0.00 41.12 37.68 1pyg n ASP 78 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1pyg n PRO 79 N -2.88 -4.89 -3.40 -0.67 -0.04 -1.25 -4.97 135.00 116.90 1pyg n PRO 79 Ca -0.08 -1.44 -0.38 0.00 -0.04 0.00 0.00 63.50 61.57 1pyg n PRO 79 Cb 0.60 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 1pyg n PRO 79 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1pyg s LYS 80 N -5.05 4.26 -0.19 0.54 2.20 -1.26 -4.87 119.74 115.36 1pyg s LYS 80 Ca 0.66 0.26 -0.16 0.00 -0.36 0.00 0.00 55.97 56.38 1pyg s LYS 80 Cb -0.12 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 1pyg s LYS 80 CO 0.55 0.10 0.39 1.03 -0.36 0.00 0.00 175.35 177.06 1pyg s ARG 81 N 0.86 4.19 -0.27 4.03 0.52 0.25 -4.44 118.95 124.09 1pyg s ARG 81 Ca 0.21 0.20 -0.11 0.00 -0.52 0.00 0.00 55.73 55.50 1pyg s ARG 81 Cb -0.14 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.76 1pyg s ARG 81 CO 0.08 0.01 0.20 0.42 0.02 0.00 0.00 175.30 176.03 1pyg s ILE 82 N 1.17 5.31 -0.38 1.52 1.01 -0.08 -1.36 121.20 128.38 1pyg s ILE 82 Ca 0.19 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 1pyg s ILE 82 Cb -0.15 -3.54 0.05 0.00 0.01 0.00 0.00 42.46 38.83 1pyg s ILE 82 CO 0.08 0.26 0.20 -0.31 0.00 0.00 0.00 174.94 175.17 1pyg s TYR 83 N 1.63 3.29 -0.55 3.97 2.02 -0.22 -0.37 117.35 127.12 1pyg s TYR 83 Ca 0.08 -1.32 -0.23 0.00 -0.37 0.00 0.00 57.07 55.23 1pyg s TYR 83 Cb -0.15 -2.62 0.05 0.00 -0.40 0.00 0.00 41.96 38.83 1pyg s TYR 83 CO 0.09 -0.75 0.90 -0.47 -1.57 0.00 0.00 175.55 173.75 1pyg s TYR 84 N 1.46 2.82 -0.34 2.71 5.04 0.25 -0.99 117.35 128.30 1pyg s TYR 84 Ca 0.02 -0.13 -0.18 0.00 -2.44 0.00 0.00 57.07 54.34 1pyg s TYR 84 Cb -0.21 -4.02 -0.01 0.00 0.35 0.00 0.00 41.96 38.07 1pyg s TYR 84 CO 0.04 -1.33 0.51 -0.51 -1.34 0.00 0.00 175.55 172.92 1pyg s LEU 85 N 3.79 4.32 0.06 6.97 1.02 -0.79 -1.72 118.68 132.32 1pyg s LEU 85 Ca 0.28 0.02 0.06 0.00 0.02 0.00 0.00 54.13 54.51 1pyg s LEU 85 Cb -0.14 -2.59 -0.03 0.00 0.02 0.00 0.00 46.19 43.46 1pyg s LEU 85 CO 0.17 -0.46 -0.16 -0.55 0.02 0.00 0.00 176.35 175.37 1pyg s SER 86 N 1.74 1.90 -0.07 2.29 0.15 -1.17 -2.67 113.70 115.87 1pyg s SER 86 Ca 0.19 -0.55 0.13 0.00 0.70 0.00 0.00 55.95 56.42 1pyg s SER 86 Cb -0.15 -0.11 0.49 0.00 -1.71 0.00 0.00 66.02 64.54 1pyg s SER 86 CO 0.13 0.02 1.36 -0.11 1.20 0.00 0.00 173.24 175.84 1pyg n LEU 87 N 1.59 3.39 -3.63 3.45 7.94 -1.26 -4.35 117.00 124.13 1pyg n LEU 87 Ca -0.19 -1.71 -0.14 0.00 -1.11 0.00 0.00 56.01 52.86 1pyg n LEU 87 Cb 0.54 -0.47 -0.07 0.00 0.53 0.00 0.00 43.42 43.95 1pyg n LEU 87 CO 0.22 0.59 0.40 -1.83 -1.11 0.00 0.00 177.39 175.67 1pyg s GLU 88 N -1.73 0.84 -0.13 1.96 -1.05 -1.26 -4.79 118.70 112.54 1pyg s GLU 88 Ca 0.35 0.89 -0.02 0.00 -0.15 0.00 0.00 54.97 56.04 1pyg s GLU 88 Cb 0.22 0.41 0.04 0.00 -0.44 0.00 0.00 34.13 34.37 1pyg s GLU 88 CO 0.17 -0.12 0.01 -0.06 0.95 0.00 0.00 175.26 176.21 1pyg s PHE 89 N 0.20 0.87 -1.00 4.83 0.40 0.33 -3.96 117.98 119.65 1pyg s PHE 89 Ca -0.01 -0.51 -0.05 0.00 -0.60 0.00 0.00 56.93 55.75 1pyg s PHE 89 Cb -0.04 -0.93 0.25 0.00 0.51 0.00 0.00 43.02 42.81 1pyg s PHE 89 CO 0.02 -0.47 0.94 -0.47 0.70 0.00 0.00 175.22 175.94 1pyg s TYR 90 N 1.91 4.08 0.21 0.36 5.04 0.85 -1.64 117.35 128.16 1pyg s TYR 90 Ca 0.02 -2.87 -0.06 0.00 -2.44 0.00 0.00 57.07 51.72 1pyg s TYR 90 Cb -0.14 -3.53 0.16 0.00 0.35 0.00 0.00 41.96 38.80 1pyg s TYR 90 CO -0.07 -0.84 1.64 0.52 -1.34 0.00 0.00 175.55 175.46 1pyg h MET 91 N 6.31 0.85 0.00 4.97 2.86 -1.83 -3.41 114.93 124.69 1pyg h MET 91 Ca 0.17 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1pyg h MET 91 Cb 0.84 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1pyg h MET 91 CO 0.93 0.96 0.00 0.41 1.06 0.00 0.00 176.91 180.27 1pyg n GLY 92 N -0.29 0.34 3.73 8.32 0.00 -1.26 -4.86 105.19 111.17 1pyg n GLY 92 Ca 0.01 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 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 3.24 -0.06 1.61 0.52 -1.26 -1.85 118.95 121.14 1pyg s ARG 93 Ca 0.00 -0.32 0.15 0.00 -0.52 0.00 0.00 55.73 55.04 1pyg s ARG 93 Cb 0.00 -2.96 -0.22 0.00 0.52 0.00 0.00 34.95 32.29 1pyg s ARG 93 CO 0.00 0.67 0.54 2.41 0.02 0.00 0.00 175.30 178.94 1pyg n THR 94 N 2.27 1.42 0.24 0.02 -1.04 -1.26 -4.50 114.28 111.44 1pyg n THR 94 Ca -0.19 -0.78 -0.17 0.00 -2.04 0.00 0.00 64.05 60.87 1pyg n THR 94 Cb 0.54 -0.80 -0.09 0.00 -1.82 0.00 0.00 70.33 68.15 1pyg n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1pyg h LEU 95 N 0.00 -1.36 -1.03 -4.42 5.85 -1.96 -0.09 115.31 112.30 1pyg h LEU 95 Ca -0.32 0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.44 1pyg h LEU 95 Cb 1.96 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 43.43 1pyg h LEU 95 CO 0.06 -0.61 -0.17 -0.61 -0.34 0.00 0.00 178.44 176.77 1pyg h GLN 96 N -0.91 0.50 -0.29 1.25 4.15 -1.97 0.15 115.11 117.98 1pyg h GLN 96 Ca -0.05 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 1pyg h GLN 96 Cb 0.81 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.44 1pyg h GLN 96 CO -0.10 0.65 0.13 -0.97 -1.93 0.00 0.00 178.83 176.61 1pyg h ASN 97 N 0.45 0.39 -0.74 -0.69 -1.24 -1.75 -0.33 115.58 111.68 1pyg h ASN 97 Ca 0.08 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.93 1pyg h ASN 97 Cb 0.55 -0.10 -0.03 0.00 0.73 0.00 0.00 38.32 39.47 1pyg h ASN 97 CO 0.04 0.43 0.41 0.74 -1.29 0.00 0.00 177.43 177.75 1pyg h THR 98 N 0.34 1.22 -0.34 -3.57 2.02 0.47 -0.89 112.91 112.16 1pyg h THR 98 Ca 0.10 -0.55 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1pyg h THR 98 Cb 0.15 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 1pyg h THR 98 CO -0.01 0.24 0.11 0.24 0.37 0.00 0.00 175.52 176.47 1pyg h MET 99 N 1.02 0.53 0.01 6.66 2.86 -0.35 -1.20 114.93 124.46 1pyg h MET 99 Ca 0.26 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1pyg h MET 99 Cb 0.03 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1pyg h MET 99 CO -0.04 0.56 -0.00 0.28 1.06 0.00 0.00 176.91 178.76 1pyg h VAL 100 N 0.40 1.12 0.00 -2.22 2.07 -0.80 0.99 116.25 117.81 1pyg h VAL 100 Ca 0.11 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 1pyg h VAL 100 Cb 0.25 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1pyg h VAL 100 CO -0.00 0.10 -0.16 0.78 0.02 0.00 0.00 177.57 178.31 1pyg h ASN 101 N -0.18 0.00 0.23 0.57 4.21 -1.07 -1.96 115.58 117.38 1pyg h ASN 101 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1pyg h ASN 101 Cb 0.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1pyg h ASN 101 CO 0.00 0.16 -0.79 0.18 -1.29 0.00 0.00 177.43 175.69 1pyg n LEU 102 N -3.57 0.77 -1.10 1.61 4.32 -0.46 -1.58 117.00 116.98 1pyg n LEU 102 Ca -0.01 -0.26 -0.07 0.00 -0.02 0.00 0.00 56.01 55.64 1pyg n LEU 102 Cb 0.30 -0.11 0.01 0.00 -1.62 0.00 0.00 43.42 42.00 1pyg n LEU 102 CO 0.31 0.19 -0.02 0.00 -1.22 0.00 0.00 177.39 176.65 1pyg n ALA 103 N -1.51 -0.30 0.28 -1.18 0.00 -0.28 -4.95 120.51 112.57 1pyg n ALA 103 Ca 0.05 0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1pyg n ALA 103 Cb 0.34 -1.52 -0.14 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.42 0.29 -0.31 0.00 4.77 0.19 -4.72 117.00 115.80 1pyg n LEU 104 Ca -0.05 -0.16 0.16 0.00 -0.03 0.00 0.00 56.01 55.93 1pyg n LEU 104 Cb 0.55 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.97 1pyg n LEU 104 CO 0.15 0.07 0.97 -0.08 -1.33 0.00 0.00 177.39 177.17 1pyg h GLU 105 N 0.00 0.21 -0.26 3.23 4.81 -1.87 -1.48 114.58 119.22 1pyg h GLU 105 Ca 0.00 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1pyg h GLU 105 Cb 0.77 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1pyg h GLU 105 CO 0.00 0.14 -0.10 -0.91 -0.73 0.00 0.00 179.01 177.41 1pyg h ASN 106 N 0.22 0.54 -0.26 1.04 -0.26 -1.93 0.64 115.58 115.56 1pyg h ASN 106 Ca 0.60 -0.39 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1pyg h ASN 106 Cb 1.25 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 38.35 1pyg h ASN 106 CO -0.66 0.81 0.17 0.00 -1.06 0.00 0.00 177.43 176.68 1pyg h ALA 107 N 0.75 0.33 -0.64 -0.83 0.00 -1.75 -0.45 119.26 116.68 1pyg h ALA 107 Ca 0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pyg h ALA 107 Cb 0.59 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1pyg h ALA 107 CO 0.03 -0.18 0.20 0.00 0.00 0.00 0.00 179.25 179.30 1pyg h ASP 109 N 0.94 0.00 0.19 0.00 3.58 0.05 -1.62 116.42 119.55 1pyg h ASP 109 Ca 0.21 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1pyg h ASP 109 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1pyg h ASP 109 CO -0.01 0.60 -0.09 -0.08 -2.88 0.00 0.00 179.24 176.78 1pyg h GLU 110 N 0.00 -0.24 -0.40 0.28 4.57 -0.81 -1.20 114.58 116.79 1pyg h GLU 110 Ca -0.01 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.27 1pyg h GLU 110 Cb 1.17 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.73 1pyg h GLU 110 CO 0.08 0.14 -0.25 0.00 -1.18 0.00 0.00 179.01 177.80 1pyg h ALA 111 N -0.06 -0.01 -0.84 2.92 0.00 -1.07 -1.64 119.26 118.57 1pyg h ALA 111 Ca -0.03 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1pyg h ALA 111 Cb 0.50 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1pyg h ALA 111 CO 0.04 -0.63 0.55 1.15 0.00 0.00 0.00 179.25 180.37 1pyg h THR 112 N -0.18 1.19 -0.31 0.00 2.02 -1.28 -0.48 112.91 113.87 1pyg h THR 112 Ca 0.19 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.97 1pyg h THR 112 Cb 0.48 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1pyg h THR 112 CO -0.50 0.20 0.11 1.88 0.37 0.00 0.00 175.52 177.58 1pyg h TYR 113 N 1.11 0.49 0.00 3.16 0.05 -0.73 0.46 116.97 121.50 1pyg h TYR 113 Ca 0.31 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 1pyg h TYR 113 Cb -0.08 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 1pyg h TYR 113 CO -0.00 0.48 -0.24 1.96 -1.05 0.00 0.00 178.16 179.31 1pyg h GLN 114 N 0.35 0.00 -0.38 4.88 4.20 -0.71 0.02 115.11 123.47 1pyg h GLN 114 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1pyg h GLN 114 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 1pyg h GLN 114 CO -0.01 0.24 0.00 1.28 -0.67 0.00 0.00 178.83 179.67 1pyg n LEU 115 N -3.98 1.76 0.00 1.46 4.77 -0.24 -4.89 117.00 115.89 1pyg n LEU 115 Ca -0.02 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1pyg n LEU 115 Cb 0.31 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1pyg n LEU 115 CO 0.35 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 1pyg n GLY 116 N 0.86 0.40 3.55 -0.72 0.00 -0.01 -5.04 105.19 104.24 1pyg n GLY 116 Ca 0.10 -0.95 -0.26 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 2.29 -0.28 0.99 1.43 0.13 -5.02 118.68 118.21 1pyg s LEU 117 Ca 0.00 -1.50 0.01 0.00 -1.03 0.00 0.00 54.13 51.61 1pyg s LEU 117 Cb 0.00 -0.48 0.08 0.00 0.03 0.00 0.00 46.19 45.83 1pyg s LEU 117 CO 0.00 -0.70 0.02 -0.62 0.23 0.00 0.00 176.35 175.28 1pyg s ASP 118 N -3.63 4.12 0.27 2.29 -1.08 -1.26 -3.76 116.67 113.61 1pyg s ASP 118 Ca 0.28 -1.56 -0.01 0.00 -0.52 0.00 0.00 52.55 50.74 1pyg s ASP 118 Cb 0.06 -1.18 0.53 0.00 -1.46 0.00 0.00 42.92 40.87 1pyg s ASP 118 CO 0.14 -0.33 1.78 -0.03 0.52 0.00 0.00 175.17 177.25 1pyg h MET 119 N 7.91 0.69 -0.31 4.34 1.85 -1.90 -0.82 114.93 126.69 1pyg h MET 119 Ca -0.13 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 58.90 1pyg h MET 119 Cb 1.04 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.90 1pyg h MET 119 CO 0.46 0.46 0.09 1.49 -0.40 0.00 0.00 176.91 179.00 1pyg h GLU 120 N 0.72 0.44 -0.17 0.39 4.22 -1.99 0.49 114.58 118.68 1pyg h GLU 120 Ca 0.47 -0.06 -0.16 0.00 0.08 0.00 0.00 59.36 59.69 1pyg h GLU 120 Cb 0.61 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1pyg h GLU 120 CO -0.33 0.40 -0.55 1.49 -2.18 0.00 0.00 179.01 177.84 1pyg h GLU 121 N 0.44 0.51 0.03 1.92 4.81 -1.61 -3.01 114.58 117.67 1pyg h GLU 121 Ca 0.11 -0.32 -0.23 0.00 -0.13 0.00 0.00 59.36 58.79 1pyg h GLU 121 Cb 0.15 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1pyg h GLU 121 CO -0.01 0.92 -0.98 -0.07 -0.73 0.00 0.00 179.01 178.14 1pyg h LEU 122 N 0.39 0.41 -0.78 1.64 4.07 -0.11 -3.21 115.31 117.72 1pyg h LEU 122 Ca 0.01 -0.36 0.02 0.00 0.08 0.00 0.00 57.88 57.63 1pyg h LEU 122 Cb 1.08 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 42.65 1pyg h LEU 122 CO 0.10 1.18 0.50 -0.33 -1.08 0.00 0.00 178.44 178.81 1pyg h GLU 123 N 0.16 0.98 0.00 1.13 5.08 -0.04 -1.95 114.58 119.93 1pyg h GLU 123 Ca -0.08 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1pyg h GLU 123 Cb 1.64 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1pyg h GLU 123 CO 0.16 0.65 0.00 0.39 -1.00 0.00 0.00 179.01 179.21 1pyg n GLU 124 N -4.58 0.29 0.06 2.33 -0.58 -1.16 -1.46 120.64 115.54 1pyg n GLU 124 Ca 0.08 0.09 -0.10 0.00 -0.42 0.00 0.00 57.16 56.82 1pyg n GLU 124 Cb 0.05 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.30 1pyg n GLU 124 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1pyg h ILE 125 N 0.00 1.58 -2.90 -3.67 1.08 -1.45 -3.47 117.51 108.67 1pyg h ILE 125 Ca 0.00 -3.26 -0.52 0.00 -0.39 0.00 0.00 64.86 60.68 1pyg h ILE 125 Cb 0.06 2.83 0.06 0.00 -3.07 0.00 0.00 36.82 36.70 1pyg h ILE 125 CO 0.00 0.92 0.92 -0.70 -0.69 0.00 0.00 178.15 178.59 1pyg s GLU 126 N -2.68 4.17 0.54 2.37 2.12 -0.53 -4.96 118.70 119.72 1pyg s GLU 126 Ca -0.01 2.48 -0.17 0.00 0.36 0.00 0.00 54.97 57.63 1pyg s GLU 126 Cb 0.09 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.32 1pyg s GLU 126 CO 0.84 -0.65 1.02 -1.21 -0.54 0.00 0.00 175.26 174.72 1pyg s GLU 127 N 0.73 3.68 0.12 4.30 0.41 -1.26 -5.01 118.70 121.68 1pyg s GLU 127 Ca 0.70 1.13 -0.31 0.00 -0.41 0.00 0.00 54.97 56.08 1pyg s GLU 127 Cb -0.46 -2.09 -0.07 0.00 -1.78 0.00 0.00 34.13 29.72 1pyg s GLU 127 CO 0.35 -0.50 1.28 0.16 -0.49 0.00 0.00 175.26 176.06 1pyg s ASP 128 N -2.73 6.96 -0.82 -0.19 1.47 -1.26 -4.71 116.67 115.39 1pyg s ASP 128 Ca 0.62 2.21 -0.25 0.00 1.18 0.00 0.00 52.55 56.31 1pyg s ASP 128 Cb -0.13 -2.59 -0.05 0.00 -0.34 0.00 0.00 42.92 39.81 1pyg s ASP 128 CO 0.31 -0.53 1.96 0.00 0.68 0.00 0.00 175.17 177.59 1pyg s ALA 129 N 0.77 1.74 -0.84 2.11 0.00 -0.77 -4.83 121.76 119.94 1pyg s ALA 129 Ca 0.60 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.10 1pyg s ALA 129 Cb -0.34 -4.49 -0.14 0.00 0.00 0.00 0.00 23.12 18.15 1pyg s ALA 129 CO 0.32 -4.64 1.95 0.41 0.00 0.00 0.00 175.76 173.79 1pyg n GLY 130 N 6.56 2.63 0.00 0.00 0.00 -1.26 -4.06 105.19 109.06 1pyg n GLY 130 Ca 0.36 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 45.10 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 7.69 0.73 0.00 0.99 4.77 -1.25 -3.55 117.00 126.38 1pyg n LEU 131 Ca 0.50 -0.73 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1pyg n LEU 131 Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1pyg n LEU 131 CO 1.01 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1pyg n GLY 132 N -0.02 4.08 0.00 -0.72 0.00 -0.65 -0.51 105.19 107.37 1pyg n GLY 132 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1pyg n GLY 132 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pyg n ASN 133 N -2.45 0.00 -0.13 1.61 5.15 -1.26 -4.52 115.26 113.66 1pyg n ASN 133 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1pyg n ASN 133 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 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 -0.38 2.29 0.36 8.20 0.00 -1.26 -5.02 105.19 109.39 1pyg n GLY 134 Ca 0.00 -0.74 0.16 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.84 -0.02 0.00 -2.02 0.16 103.07 102.03 1pyg h GLY 135 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1pyg h GLY 135 CO 0.00 0.00 -1.42 -2.00 0.00 0.00 0.00 176.54 173.12 1pyg h LEU 136 N 0.00 0.57 -0.50 3.11 6.46 -1.95 -0.84 115.31 122.16 1pyg h LEU 136 Ca 0.09 -0.91 -0.17 0.00 -0.12 0.00 0.00 57.88 56.77 1pyg h LEU 136 Cb 1.08 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1pyg h LEU 136 CO -0.00 1.65 -0.70 1.23 -0.62 0.00 0.00 178.44 180.00 1pyg h GLY 137 N 0.18 0.30 0.76 3.75 0.00 -1.01 -0.42 103.07 106.64 1pyg h GLY 137 Ca -0.28 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1pyg h GLY 137 CO 0.16 0.38 -0.01 -0.09 0.00 0.00 0.00 176.54 176.97 1pyg h ARG 138 N 0.19 0.25 -0.76 4.80 1.12 -0.93 0.27 114.38 119.31 1pyg h ARG 138 Ca -0.02 -0.09 0.02 0.00 -1.11 0.00 0.00 59.98 58.78 1pyg h ARG 138 Cb 1.25 -0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 31.15 1pyg h ARG 138 CO 0.11 0.51 0.51 1.25 -3.11 0.00 0.00 179.97 179.23 1pyg h LEU 139 N -0.03 0.85 -0.44 3.80 5.85 -0.70 -0.49 115.31 124.15 1pyg h LEU 139 Ca 0.04 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1pyg h LEU 139 Cb 0.40 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1pyg h LEU 139 CO 0.01 0.60 0.25 0.00 -0.34 0.00 0.00 178.44 178.96 1pyg h ALA 140 N 1.54 0.56 -0.35 1.25 0.00 -1.01 -1.40 119.26 119.84 1pyg h ALA 140 Ca 0.29 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 1pyg h ALA 140 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1pyg h ALA 140 CO -0.07 0.07 -0.21 0.00 0.00 0.00 0.00 179.25 179.04 1pyg h ALA 141 N 1.10 0.98 -0.48 0.00 0.00 -0.19 -1.19 119.26 119.48 1pyg h ALA 141 Ca 0.15 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1pyg h ALA 141 Cb 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1pyg h ALA 141 CO -0.03 0.60 -0.23 0.00 0.00 0.00 0.00 179.25 179.59 1pyg h PHE 143 N 0.85 1.15 -0.56 0.00 -1.00 -0.89 -1.48 116.94 115.01 1pyg h PHE 143 Ca 0.11 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 1pyg h PHE 143 Cb 0.81 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1pyg h PHE 143 CO 0.05 0.77 0.22 -0.07 -1.61 0.00 0.00 178.31 177.68 1pyg h LEU 144 N 1.20 0.78 0.13 1.54 4.07 -1.09 0.15 115.31 122.10 1pyg h LEU 144 Ca 0.31 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.11 1pyg h LEU 144 Cb -0.04 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.48 1pyg h LEU 144 CO -0.06 0.74 -0.18 -0.78 -1.08 0.00 0.00 178.44 177.08 1pyg h ASP 145 N 0.77 -0.50 -0.89 -0.43 3.58 -1.17 -2.13 116.42 115.66 1pyg h ASP 145 Ca 0.19 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1pyg h ASP 145 Cb 0.21 0.18 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1pyg h ASP 145 CO -0.01 -0.26 0.51 0.28 -2.88 0.00 0.00 179.24 176.87 1pyg h SER 146 N -0.37 1.09 0.07 2.28 0.02 -0.94 -0.63 113.55 115.07 1pyg h SER 146 Ca 0.02 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1pyg h SER 146 Cb 0.37 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1pyg h SER 146 CO -0.08 0.85 -0.21 0.24 -1.14 0.00 0.00 176.83 176.49 1pyg h MET 147 N 1.24 0.27 -0.03 3.45 2.86 -0.57 0.13 114.93 122.27 1pyg h MET 147 Ca 0.32 -0.08 -0.19 0.00 -2.06 0.00 0.00 59.70 57.68 1pyg h MET 147 Cb -0.01 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 31.63 1pyg h MET 147 CO -0.06 0.48 -0.74 0.00 1.06 0.00 0.00 176.91 177.65 1pyg h ALA 148 N 1.54 0.13 -0.84 6.32 0.00 -0.95 -0.39 119.26 125.07 1pyg h ALA 148 Ca 0.04 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1pyg h ALA 148 Cb 0.52 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1pyg h ALA 148 CO 0.03 0.49 0.47 1.15 0.00 0.00 0.00 179.25 181.39 1pyg h THR 149 N 0.14 1.24 -0.06 0.00 2.02 -0.81 -2.80 112.91 112.64 1pyg h THR 149 Ca -0.08 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1pyg h THR 149 Cb 1.42 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1pyg h THR 149 CO 0.15 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.49 1pyg n LEU 150 N -4.40 0.40 -3.26 2.58 4.32 0.00 -4.66 117.00 111.99 1pyg n LEU 150 Ca 0.08 -0.20 -0.17 0.00 -0.02 0.00 0.00 56.01 55.71 1pyg n LEU 150 Cb 0.09 -0.08 0.08 0.00 -1.62 0.00 0.00 43.42 41.89 1pyg n LEU 150 CO 0.38 0.09 0.13 0.61 -1.22 0.00 0.00 177.39 177.38 1pyg n GLY 151 N 0.54 -0.32 3.59 -0.72 0.00 -1.05 -0.48 105.19 106.75 1pyg n GLY 151 Ca 0.02 0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -6.18 3.21 -1.23 0.99 1.43 -0.18 -4.65 118.68 112.06 1pyg s LEU 152 Ca 0.11 -0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.97 1pyg s LEU 152 Cb -0.05 -1.73 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1pyg s LEU 152 CO 0.67 0.34 1.80 0.00 0.23 0.00 0.00 176.35 179.40 1pyg s ALA 153 N -0.86 2.69 0.19 4.21 0.00 -1.26 -4.65 121.76 122.08 1pyg s ALA 153 Ca 0.14 -2.57 0.10 0.00 0.00 0.00 0.00 51.96 49.63 1pyg s ALA 153 Cb -0.11 -4.65 -0.04 0.00 0.00 0.00 0.00 23.12 18.32 1pyg s ALA 153 CO 0.03 -4.05 -0.18 0.00 0.00 0.00 0.00 175.76 171.55 1pyg s ALA 154 N 6.88 2.70 -0.03 0.00 0.00 -1.26 -0.90 121.76 129.15 1pyg s ALA 154 Ca 0.59 -1.58 0.02 0.00 0.00 0.00 0.00 51.96 51.00 1pyg s ALA 154 Cb 0.02 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.65 1pyg s ALA 154 CO 0.09 0.44 -0.10 0.71 0.00 0.00 0.00 175.76 176.90 1pyg s TYR 155 N -1.69 1.06 -0.23 0.00 1.51 0.51 -3.88 117.35 114.62 1pyg s TYR 155 Ca 0.22 -0.29 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 1pyg s TYR 155 Cb -0.08 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 1pyg s TYR 155 CO 0.12 -0.13 0.14 0.20 -1.11 0.00 0.00 175.55 174.77 1pyg s GLY 156 N 0.29 1.97 -0.06 0.71 0.00 -1.00 -0.58 107.32 108.66 1pyg s GLY 156 Ca -0.05 -0.87 0.05 0.00 0.00 0.00 0.00 44.72 43.85 1pyg s GLY 156 CO 0.01 0.35 -0.22 -0.19 0.00 0.00 0.00 173.10 173.05 1pyg s TYR 157 N 0.96 2.52 0.00 1.90 2.02 -0.70 -0.74 117.35 123.31 1pyg s TYR 157 Ca 0.07 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.22 1pyg s TYR 157 Cb -0.13 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 1pyg s TYR 157 CO 0.04 -0.10 0.00 0.41 -1.57 0.00 0.00 175.55 174.32 1pyg n GLY 158 N 2.79 1.70 3.85 0.71 0.00 -1.12 -3.03 105.19 110.09 1pyg n GLY 158 Ca -0.17 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.60 4.97 -0.58 -0.61 1.01 -1.26 -1.30 121.20 120.83 1pyg s ILE 159 Ca 0.00 -0.55 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1pyg s ILE 159 Cb 0.00 -3.40 0.11 0.00 0.01 0.00 0.00 42.46 39.18 1pyg s ILE 159 CO 0.00 0.15 0.67 -0.60 0.00 0.00 0.00 174.94 175.16 1pyg s ARG 160 N -2.39 3.03 -0.27 2.79 3.52 0.17 -4.69 118.95 121.12 1pyg s ARG 160 Ca 0.31 -1.38 -0.29 0.00 -0.13 0.00 0.00 55.73 54.24 1pyg s ARG 160 Cb -0.13 -4.27 -0.01 0.00 -1.56 0.00 0.00 34.95 28.98 1pyg s ARG 160 CO 0.24 -1.51 1.46 0.71 -0.81 0.00 0.00 175.30 175.39 1pyg s TYR 161 N 2.51 2.40 0.14 5.12 2.02 -1.26 -4.76 117.35 123.53 1pyg s TYR 161 Ca 0.10 0.71 0.33 0.00 -0.37 0.00 0.00 57.07 57.84 1pyg s TYR 161 Cb -0.25 -3.95 1.66 0.00 -0.40 0.00 0.00 41.96 39.02 1pyg s TYR 161 CO 0.06 -2.31 2.00 1.49 -1.57 0.00 0.00 175.55 175.22 1pyg h GLU 162 N 10.03 0.00 -3.78 -0.62 4.81 -1.89 -3.39 114.58 119.74 1pyg h GLU 162 Ca -0.30 0.00 -0.40 0.00 -0.13 0.00 0.00 59.36 58.54 1pyg h GLU 162 Cb 1.12 0.00 -0.36 0.00 0.63 0.00 0.00 28.75 30.15 1pyg h GLU 162 CO 1.02 0.00 -0.76 -0.06 -0.73 0.00 0.00 179.01 178.48 1pyg s PHE 163 N -3.77 0.55 1.16 0.92 0.40 -1.26 -4.30 117.98 111.69 1pyg s PHE 163 Ca -0.02 -0.10 -0.18 0.00 -0.60 0.00 0.00 56.93 56.03 1pyg s PHE 163 Cb 0.10 -0.62 0.27 0.00 0.51 0.00 0.00 43.02 43.27 1pyg s PHE 163 CO 0.36 -0.22 1.13 0.20 0.70 0.00 0.00 175.22 177.39 1pyg s GLY 164 N 1.39 1.60 -1.02 4.36 0.00 -0.90 -4.84 107.32 107.90 1pyg s GLY 164 Ca -0.04 -0.92 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 1pyg s GLY 164 CO -0.02 -0.08 1.98 4.51 0.00 0.00 0.00 173.10 179.49 1pyg n ILE 165 N -4.60 1.02 0.00 0.90 0.13 -1.26 -3.91 119.36 111.64 1pyg n ILE 165 Ca 0.13 -1.04 0.00 0.00 -1.10 0.00 0.00 62.75 60.74 1pyg n ILE 165 Cb 0.59 -2.10 0.00 0.00 -0.84 0.00 0.00 39.64 37.29 1pyg n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 1pyg n PHE 166 N 15.61 -1.30 -4.05 9.51 -1.74 -1.26 -4.88 117.46 129.34 1pyg n PHE 166 Ca 0.44 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 57.10 1pyg n PHE 166 Cb 0.46 0.00 -0.17 0.00 1.52 0.00 0.00 39.48 41.29 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 -2.54 1.45 -0.01 5.98 0.01 0.62 -4.38 114.94 116.08 1pyg s ASN 167 Ca 0.00 -0.17 -0.30 0.00 -0.71 0.00 0.00 52.86 51.68 1pyg s ASN 167 Cb 0.00 -0.56 -0.04 0.00 0.41 0.00 0.00 41.25 41.06 1pyg s ASN 167 CO 0.00 -0.10 1.15 -1.58 -1.51 0.00 0.00 177.10 175.06 1pyg s GLN 168 N 1.33 4.42 0.01 -0.60 0.74 -1.26 -0.69 119.66 123.62 1pyg s GLN 168 Ca -0.04 1.64 0.08 0.00 0.05 0.00 0.00 55.36 57.09 1pyg s GLN 168 Cb -0.14 -3.46 -0.02 0.00 1.10 0.00 0.00 33.01 30.49 1pyg s GLN 168 CO -0.03 -0.30 -0.24 0.21 -0.55 0.00 0.00 175.29 174.39 1pyg s LYS 169 N 1.56 1.78 -0.15 1.67 2.47 0.87 -4.15 119.74 123.79 1pyg s LYS 169 Ca 0.56 -0.92 0.01 0.00 -1.56 0.00 0.00 55.97 54.05 1pyg s LYS 169 Cb -0.25 -1.81 -0.00 0.00 -1.46 0.00 0.00 37.83 34.31 1pyg s LYS 169 CO 0.25 0.48 -0.16 0.42 0.16 0.00 0.00 175.35 176.51 1pyg s ILE 170 N -0.66 2.67 -0.18 5.43 -1.09 -1.26 0.13 121.20 126.24 1pyg s ILE 170 Ca 0.09 -0.78 -0.02 0.00 -2.23 0.00 0.00 60.65 57.72 1pyg s ILE 170 Cb -0.09 -2.11 0.05 0.00 -1.58 0.00 0.00 42.46 38.73 1pyg s ILE 170 CO 0.00 0.52 0.00 0.00 -1.23 0.00 0.00 174.94 174.24 1pyg n GLY 172 N 4.99 -0.27 2.79 0.00 0.00 -1.26 -2.28 105.19 109.16 1pyg n GLY 172 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.33 2.95 3.89 -0.02 0.00 -1.26 -5.00 105.19 104.41 1pyg n GLY 173 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.32 3.45 0.05 1.61 0.52 -0.96 -3.79 118.94 118.49 1pyg s TRP 174 Ca 0.00 0.73 -0.27 0.00 0.02 0.00 0.00 56.10 56.58 1pyg s TRP 174 Cb 0.00 -2.14 -0.05 0.00 -1.15 0.00 0.00 33.47 30.12 1pyg s TRP 174 CO 0.00 0.33 0.84 -1.14 0.02 0.00 0.00 176.95 177.00 1pyg s GLN 175 N -2.80 4.56 -0.10 4.98 0.74 -1.26 -0.12 119.66 125.65 1pyg s GLN 175 Ca 0.45 1.20 0.02 0.00 0.05 0.00 0.00 55.36 57.08 1pyg s GLN 175 Cb -0.12 -3.38 0.01 0.00 1.10 0.00 0.00 33.01 30.63 1pyg s GLN 175 CO 0.23 0.23 -0.18 -1.64 -0.55 0.00 0.00 175.29 173.38 1pyg s MET 176 N 0.09 2.43 -0.13 1.67 -1.94 0.12 -4.95 119.30 116.59 1pyg s MET 176 Ca 0.42 -0.65 -0.17 0.00 -1.71 0.00 0.00 55.69 53.59 1pyg s MET 176 Cb -0.21 -1.97 -0.04 0.00 2.01 0.00 0.00 34.83 34.61 1pyg s MET 176 CO 0.25 0.02 0.41 -1.21 -0.01 0.00 0.00 175.02 174.48 1pyg s GLU 177 N 0.75 4.30 0.04 2.03 8.01 -1.26 -0.09 118.70 132.48 1pyg s GLU 177 Ca -0.11 0.33 0.07 0.00 0.01 0.00 0.00 54.97 55.28 1pyg s GLU 177 Cb -0.16 -3.42 -0.03 0.00 -4.31 0.00 0.00 34.13 26.21 1pyg s GLU 177 CO 0.02 0.21 -0.19 -1.21 0.01 0.00 0.00 175.26 174.09 1pyg s GLU 178 N 0.50 2.03 0.31 1.61 2.02 0.14 -4.92 118.70 120.39 1pyg s GLU 178 Ca 0.23 -1.00 -0.29 0.00 0.02 0.00 0.00 54.97 53.93 1pyg s GLU 178 Cb -0.14 -2.15 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 1pyg s GLU 178 CO 0.08 0.54 1.18 0.00 0.02 0.00 0.00 175.26 177.08 1pyg s ALA 179 N -0.90 3.43 -1.23 5.21 0.00 -1.26 -0.28 121.76 126.73 1pyg s ALA 179 Ca 0.14 1.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 1pyg s ALA 179 Cb -0.10 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.69 1pyg s ALA 179 CO 0.05 -0.37 1.67 0.34 0.00 0.00 0.00 175.76 177.45 1pyg s ASP 180 N -0.73 6.75 -1.08 0.00 2.15 -1.25 -4.73 116.67 117.78 1pyg s ASP 180 Ca 0.47 -2.19 -0.08 0.00 0.43 0.00 0.00 52.55 51.17 1pyg s ASP 180 Cb -0.35 -2.58 -0.14 0.00 -0.30 0.00 0.00 42.92 39.56 1pyg s ASP 180 CO 0.46 -1.26 3.16 -0.67 -0.17 0.00 0.00 175.17 176.69 1pyg n ASP 181 N 8.53 7.59 0.01 -0.34 2.03 -1.26 -2.12 116.55 130.99 1pyg n ASP 181 Ca 0.45 -2.57 -0.01 0.00 0.52 0.00 0.00 54.79 53.17 1pyg n ASP 181 Cb 0.47 -1.50 0.27 0.00 -0.72 0.00 0.00 41.12 39.64 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 4.31 0.52 -0.03 -0.67 5.08 -1.87 -1.82 115.95 121.48 1pyg h TRP 182 Ca 0.65 -0.07 0.00 0.00 1.08 0.00 0.00 58.89 60.54 1pyg h TRP 182 Cb 0.68 -0.14 0.00 0.00 -3.00 0.00 0.00 29.16 26.70 1pyg h TRP 182 CO 1.84 0.58 0.00 1.28 -1.28 0.00 0.00 178.44 180.87 1pyg n LEU 183 N -4.22 0.32 -0.47 0.11 4.77 -1.26 -4.42 117.00 111.82 1pyg n LEU 183 Ca 0.01 -0.13 0.39 0.00 -0.03 0.00 0.00 56.01 56.25 1pyg n LEU 183 Cb 0.31 -0.02 0.68 0.00 -2.33 0.00 0.00 43.42 42.06 1pyg n LEU 183 CO 0.40 0.06 1.26 -0.09 -1.33 0.00 0.00 177.39 177.69 1pyg h ARG 184 N 0.44 0.05 -0.18 3.23 2.43 -1.68 0.16 114.38 118.83 1pyg h ARG 184 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pyg h ARG 184 Cb 0.10 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1pyg h ARG 184 CO 0.00 0.03 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 1pyg n TYR 185 N -4.63 0.36 0.00 2.20 4.01 -1.26 -5.08 117.16 112.76 1pyg n TYR 185 Ca 0.39 -0.64 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1pyg n TYR 185 Cb 1.52 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 40.44 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 -0.24 -1.60 3.23 2.72 0.00 0.56 -4.95 105.19 104.92 1pyg n GLY 186 Ca 0.11 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.16 4.06 0.47 1.61 3.84 -1.26 -4.91 114.94 115.58 1pyg s ASN 187 Ca 0.00 -0.60 0.20 0.00 0.21 0.00 0.00 52.86 52.66 1pyg s ASN 187 Cb 0.00 -1.66 1.16 0.00 -0.55 0.00 0.00 41.25 40.20 1pyg s ASN 187 CO 0.00 -0.05 2.01 -0.65 -2.79 0.00 0.00 177.10 175.62 1pyg h PRO 188 N 8.05 0.00 0.00 0.43 0.11 -1.97 -3.27 132.00 135.34 1pyg h PRO 188 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1pyg h PRO 188 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pyg h PRO 188 CO 0.60 0.18 -0.41 0.91 -0.21 0.00 0.00 178.00 179.07 1pyg n TRP 189 N -4.00 0.20 -4.12 0.65 7.02 -1.26 -4.93 117.44 111.00 1pyg n TRP 189 Ca -0.02 0.06 -0.26 0.00 -1.02 0.00 0.00 57.50 56.25 1pyg n TRP 189 Cb 0.26 -0.45 -0.06 0.00 -2.42 0.00 0.00 31.31 28.64 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 -3.05 2.75 -0.08 -0.99 -1.05 -1.24 -4.42 118.70 110.63 1pyg s GLU 190 Ca 0.10 -0.94 0.03 0.00 -0.15 0.00 0.00 54.97 54.01 1pyg s GLU 190 Cb 0.16 -2.56 0.00 0.00 -0.44 0.00 0.00 34.13 31.30 1pyg s GLU 190 CO 0.67 0.47 -0.18 0.21 0.95 0.00 0.00 175.26 177.38 1pyg s LYS 191 N -3.06 2.28 0.24 -4.83 2.47 -0.96 -4.91 119.74 110.97 1pyg s LYS 191 Ca 0.30 -0.64 -0.30 0.00 -1.56 0.00 0.00 55.97 53.77 1pyg s LYS 191 Cb -0.10 -1.81 -0.09 0.00 -1.46 0.00 0.00 37.83 34.37 1pyg s LYS 191 CO 0.22 0.13 0.95 0.00 0.16 0.00 0.00 175.35 176.81 1pyg s ALA 192 N 0.42 3.35 -0.69 3.13 0.00 -1.26 -0.86 121.76 125.84 1pyg s ALA 192 Ca -0.14 0.64 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1pyg s ALA 192 Cb -0.16 -3.22 0.17 0.00 0.00 0.00 0.00 23.12 19.91 1pyg s ALA 192 CO 0.06 0.18 0.48 1.03 0.00 0.00 0.00 175.76 177.51 1pyg s ARG 193 N -1.21 2.39 0.50 0.00 1.81 -0.15 -4.92 118.95 117.37 1pyg s ARG 193 Ca 0.41 -3.28 0.16 0.00 -1.72 0.00 0.00 55.73 51.30 1pyg s ARG 193 Cb -0.26 -3.33 1.20 0.00 -0.45 0.00 0.00 34.95 32.10 1pyg s ARG 193 CO 0.33 -1.29 2.09 -1.35 -0.68 0.00 0.00 175.30 174.40 1pyg h PRO 194 N 5.44 0.13 0.00 3.54 0.11 -1.96 -0.76 132.00 138.50 1pyg h PRO 194 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1pyg h PRO 194 Cb 0.76 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1pyg h PRO 194 CO 0.70 0.09 0.00 -0.85 -0.21 0.00 0.00 178.00 177.73 1pyg n GLU 195 N -4.49 0.03 -1.67 1.05 0.00 -1.26 -3.01 120.64 111.28 1pyg n GLU 195 Ca 0.02 0.47 -0.05 0.00 0.00 0.00 0.00 57.16 57.60 1pyg n GLU 195 Cb 0.21 -1.58 0.08 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.63 1.07 -2.38 -1.84 3.72 -0.29 -5.05 117.46 111.07 1pyg n PHE 196 Ca 0.00 -1.64 -0.42 0.00 -0.05 0.00 0.00 57.45 55.34 1pyg n PHE 196 Cb 0.04 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.30 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 -3.09 3.99 0.17 4.37 2.01 -1.16 -4.40 115.64 117.52 1pyg s THR 197 Ca 0.39 1.39 0.08 0.00 0.31 0.00 0.00 61.69 63.86 1pyg s THR 197 Cb 0.38 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 1pyg s THR 197 CO -0.05 0.06 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.09 1pyg s LEU 198 N 1.61 3.03 0.06 4.42 1.43 -0.06 -4.89 118.68 124.29 1pyg s LEU 198 Ca 0.59 -0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 52.96 1pyg s LEU 198 Cb -0.29 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 1pyg s LEU 198 CO 0.27 0.11 0.63 -2.16 0.23 0.00 0.00 176.35 175.44 1pyg s PRO 199 N -2.74 4.33 -0.09 1.29 0.04 -1.26 -0.60 135.00 135.97 1pyg s PRO 199 Ca 0.25 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1pyg s PRO 199 Cb -0.09 -3.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1pyg s PRO 199 CO 0.15 0.51 -0.08 0.08 0.04 0.00 0.00 177.00 177.70 1pyg s VAL 200 N -0.72 3.57 -0.21 -0.36 1.01 0.75 -4.84 120.40 119.59 1pyg s VAL 200 Ca 0.32 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1pyg s VAL 200 Cb -0.20 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1pyg s VAL 200 CO 0.20 0.57 0.05 -1.00 0.00 0.00 0.00 175.10 174.92 1pyg s HIS 201 N -0.44 3.12 0.33 5.22 3.76 -1.26 -1.38 115.29 124.64 1pyg s HIS 201 Ca 0.06 -0.24 0.10 0.00 -0.15 0.00 0.00 55.06 54.83 1pyg s HIS 201 Cb -0.12 -2.13 -0.06 0.00 1.11 0.00 0.00 32.58 31.38 1pyg s HIS 201 CO 0.02 -0.13 -0.09 -0.06 -0.85 0.00 0.00 174.74 173.63 1pyg s PHE 202 N 0.98 2.43 0.00 1.40 0.08 0.07 -4.92 117.98 118.02 1pyg s PHE 202 Ca 0.03 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.64 1pyg s PHE 202 Cb -0.14 -1.32 0.00 0.00 -0.57 0.00 0.00 43.02 40.99 1pyg s PHE 202 CO 0.03 0.59 0.00 0.66 -0.10 0.00 0.00 175.22 176.39 1pyg n TYR 203 N -0.80 0.00 0.00 0.36 4.01 0.32 -0.68 117.16 120.37 1pyg n TYR 203 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1pyg n TYR 203 Cb 0.62 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.69 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 -1.77 2.93 2.72 0.00 -1.26 -4.61 105.19 103.20 1pyg n GLY 204 Ca 0.00 -2.17 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1pyg n GLY 204 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyg s ARG 205 N -0.50 0.26 -0.22 1.61 0.52 0.17 -4.85 118.95 115.93 1pyg s ARG 205 Ca 0.00 -0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.01 1pyg s ARG 205 Cb 0.00 -0.23 -0.03 0.00 0.52 0.00 0.00 34.95 35.21 1pyg s ARG 205 CO 0.00 0.06 0.03 0.08 0.02 0.00 0.00 175.30 175.49 1pyg s VAL 206 N -0.15 4.10 0.34 3.52 1.01 -1.26 -0.24 120.40 127.71 1pyg s VAL 206 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1pyg s VAL 206 Cb -0.02 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1pyg s VAL 206 CO -0.00 0.40 0.50 -0.70 0.00 0.00 0.00 175.10 175.29 1pyg s GLU 207 N 1.23 3.21 -0.05 2.72 2.12 0.47 -4.91 118.70 123.50 1pyg s GLU 207 Ca 0.04 -0.77 -0.04 0.00 0.36 0.00 0.00 54.97 54.56 1pyg s GLU 207 Cb -0.15 -2.76 0.02 0.00 0.26 0.00 0.00 34.13 31.50 1pyg s GLU 207 CO 0.02 0.08 0.13 -1.01 -0.54 0.00 0.00 175.26 173.94 1pyg s HIS 208 N -2.23 -0.15 0.25 5.30 3.76 -1.26 -0.28 115.29 120.68 1pyg s HIS 208 Ca 0.43 0.39 0.04 0.00 -0.15 0.00 0.00 55.06 55.77 1pyg s HIS 208 Cb -0.10 0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.59 1pyg s HIS 208 CO 0.33 -0.10 0.25 0.25 -0.85 0.00 0.00 174.74 174.61 1pyg n THR 209 N 3.37 0.00 -0.06 1.30 -2.24 0.11 -4.93 114.28 111.83 1pyg n THR 209 Ca -0.17 -1.67 -0.07 0.00 -2.27 0.00 0.00 64.05 59.87 1pyg n THR 209 Cb 0.57 0.87 0.10 0.00 -2.10 0.00 0.00 70.33 69.77 1pyg n THR 209 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pyg h SER 210 N 1.49 0.72 1.00 3.42 4.64 -2.02 -2.51 113.55 120.29 1pyg h SER 210 Ca -0.18 -0.27 -0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1pyg h SER 210 Cb 0.88 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1pyg h SER 210 CO 0.26 0.96 -0.17 1.56 -0.87 0.00 0.00 176.83 178.57 1pyg h GLN 211 N 0.60 0.00 0.00 4.77 4.20 -2.04 -3.49 115.11 119.15 1pyg h GLN 211 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1pyg h GLN 211 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1pyg h GLN 211 CO 0.06 0.17 0.00 0.41 -0.67 0.00 0.00 178.83 178.80 1pyg n GLY 212 N 0.18 0.91 3.81 3.46 0.00 -0.95 -5.08 105.19 107.53 1pyg n GLY 212 Ca 0.00 -1.90 -0.35 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.01 3.19 -0.06 4.61 0.00 -1.26 0.08 121.76 127.29 1pyg s ALA 213 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 1pyg s ALA 213 Cb 0.00 -3.06 0.03 0.00 0.00 0.00 0.00 23.12 20.09 1pyg s ALA 213 CO 0.00 0.20 -0.01 0.15 0.00 0.00 0.00 175.76 176.10 1pyg s LYS 214 N -2.65 0.66 -0.54 0.00 1.02 0.62 -4.90 119.74 113.95 1pyg s LYS 214 Ca 0.55 0.04 -0.16 0.00 0.02 0.00 0.00 55.97 56.41 1pyg s LYS 214 Cb -0.13 -0.92 0.12 0.00 -0.52 0.00 0.00 37.83 36.38 1pyg s LYS 214 CO 0.18 -0.23 0.52 -0.46 -0.92 0.00 0.00 175.35 174.44 1pyg s TRP 215 N 1.63 3.20 0.36 3.18 -0.00 -1.26 -0.39 118.94 125.66 1pyg s TRP 215 Ca -0.00 -1.17 0.07 0.00 -0.00 0.00 0.00 56.10 55.00 1pyg s TRP 215 Cb -0.13 -3.75 -0.02 0.00 -0.00 0.00 0.00 33.47 29.56 1pyg s TRP 215 CO -0.04 -1.04 0.33 0.14 -0.00 0.00 0.00 176.95 176.34 1pyg s VAL 216 N 1.81 3.29 -1.14 5.86 -7.23 0.66 -4.72 120.40 118.93 1pyg s VAL 216 Ca 0.05 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.88 1pyg s VAL 216 Cb -0.28 -3.13 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1pyg s VAL 216 CO 0.04 -0.12 0.00 0.47 -0.31 0.00 0.00 175.10 175.18 1pyg n ASP 217 N -1.45 -4.77 -4.78 4.85 9.92 -1.26 0.43 116.55 119.48 1pyg n ASP 217 Ca 0.00 0.27 -0.32 0.00 -0.53 0.00 0.00 54.79 54.21 1pyg n ASP 217 Cb 0.60 -3.22 0.06 0.00 -0.64 0.00 0.00 41.12 37.92 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 -2.24 3.50 0.35 -3.53 -4.23 -1.26 -4.06 115.64 104.15 1pyg s THR 218 Ca 0.00 0.56 -0.01 0.00 -1.18 0.00 0.00 61.69 61.06 1pyg s THR 218 Cb 0.00 -3.11 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1pyg s THR 218 CO 0.00 -0.56 0.57 -1.10 -0.54 0.00 0.00 174.62 172.99 1pyg s GLN 219 N -4.63 3.52 0.06 3.99 -0.21 0.14 -4.87 119.66 117.65 1pyg s GLN 219 Ca 0.62 -0.22 0.09 0.00 0.02 0.00 0.00 55.36 55.87 1pyg s GLN 219 Cb -0.17 -2.64 -0.03 0.00 1.00 0.00 0.00 33.01 31.17 1pyg s GLN 219 CO 0.50 0.13 -0.25 0.08 -2.12 0.00 0.00 175.29 173.63 1pyg s VAL 220 N -2.31 2.26 -0.02 1.09 1.01 -1.26 -0.75 120.40 120.42 1pyg s VAL 220 Ca 0.41 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1pyg s VAL 220 Cb -0.10 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1pyg s VAL 220 CO 0.36 0.33 -0.15 -0.69 0.00 0.00 0.00 175.10 174.94 1pyg s VAL 221 N -0.86 1.22 -0.02 2.92 1.01 -0.48 -4.59 120.40 119.60 1pyg s VAL 221 Ca 0.12 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.33 1pyg s VAL 221 Cb -0.10 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1pyg s VAL 221 CO 0.03 0.35 0.40 -0.76 0.00 0.00 0.00 175.10 175.12 1pyg s LEU 222 N -0.16 4.45 -0.30 3.92 1.43 -0.46 -0.18 118.68 127.37 1pyg s LEU 222 Ca 0.02 0.92 -0.03 0.00 -1.03 0.00 0.00 54.13 54.01 1pyg s LEU 222 Cb -0.08 -2.58 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1pyg s LEU 222 CO 0.00 0.29 0.02 0.00 0.23 0.00 0.00 176.35 176.90 1pyg s ALA 223 N -0.87 2.87 -0.17 4.21 0.00 0.23 -0.45 121.76 127.59 1pyg s ALA 223 Ca 0.23 -1.70 -0.12 0.00 0.00 0.00 0.00 51.96 50.38 1pyg s ALA 223 Cb -0.16 -2.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1pyg s ALA 223 CO 0.13 -1.21 0.23 1.41 0.00 0.00 0.00 175.76 176.31 1pyg s MET 224 N 1.32 4.18 0.03 0.00 1.75 0.09 -0.88 119.30 125.79 1pyg s MET 224 Ca -0.03 -0.03 -0.25 0.00 -1.25 0.00 0.00 55.69 54.13 1pyg s MET 224 Cb -0.19 -3.41 -0.05 0.00 2.84 0.00 0.00 34.83 34.02 1pyg s MET 224 CO -0.00 0.30 0.78 -1.25 -0.65 0.00 0.00 175.02 174.20 1pyg s PRO 225 N 0.32 4.50 -0.14 4.11 0.04 -1.26 -1.32 135.00 141.26 1pyg s PRO 225 Ca 0.13 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1pyg s PRO 225 Cb -0.12 -3.38 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 1pyg s PRO 225 CO 0.02 0.23 -0.15 0.71 0.04 0.00 0.00 177.00 177.85 1pyg s TYR 226 N 0.12 2.78 -0.03 0.56 1.51 -0.09 -0.97 117.35 121.23 1pyg s TYR 226 Ca 0.40 -0.84 0.05 0.00 -1.01 0.00 0.00 57.07 55.66 1pyg s TYR 226 Cb -0.20 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 1pyg s TYR 226 CO 0.23 -0.34 -0.17 0.16 -1.11 0.00 0.00 175.55 174.32 1pyg s ASP 227 N 0.57 2.02 0.10 2.29 1.47 -0.04 -0.95 116.67 122.14 1pyg s ASP 227 Ca -0.09 -0.32 0.01 0.00 1.18 0.00 0.00 52.55 53.33 1pyg s ASP 227 Cb -0.16 -0.38 -0.04 0.00 -0.34 0.00 0.00 42.92 42.01 1pyg s ASP 227 CO 0.03 0.18 0.24 -0.89 0.68 0.00 0.00 175.17 175.41 1pyg s THR 228 N -0.19 5.35 0.28 2.11 2.01 0.21 -2.25 115.64 123.15 1pyg s THR 228 Ca 0.02 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 61.24 1pyg s THR 228 Cb -0.09 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 1pyg s THR 228 CO 0.01 0.04 0.89 -2.16 -0.69 0.00 0.00 174.62 172.70 1pyg s PRO 229 N -2.82 4.56 -0.13 4.92 0.04 -1.26 -0.69 135.00 139.61 1pyg s PRO 229 Ca 0.35 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.64 1pyg s PRO 229 Cb -0.12 -2.92 0.02 0.00 0.04 0.00 0.00 34.50 31.51 1pyg s PRO 229 CO 0.28 0.36 -0.16 0.14 0.04 0.00 0.00 177.00 177.66 1pyg s VAL 230 N -1.50 1.65 -0.09 -0.36 -7.23 0.81 -4.84 120.40 108.84 1pyg s VAL 230 Ca 0.46 -0.71 -0.10 0.00 -1.81 0.00 0.00 61.98 59.82 1pyg s VAL 230 Cb -0.20 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 1pyg s VAL 230 CO 0.25 0.47 0.23 -2.16 -0.31 0.00 0.00 175.10 173.57 1pyg s PRO 231 N 1.17 3.66 0.58 4.82 0.04 -1.26 -0.46 135.00 143.54 1pyg s PRO 231 Ca -0.02 0.04 -0.06 0.00 0.04 0.00 0.00 61.00 61.00 1pyg s PRO 231 Cb -0.14 -3.22 -0.00 0.00 0.04 0.00 0.00 34.50 31.17 1pyg s PRO 231 CO -0.06 0.70 0.90 0.20 0.04 0.00 0.00 177.00 178.79 1pyg s GLY 232 N -0.90 1.59 -0.54 0.56 0.00 -0.30 -4.81 107.32 102.93 1pyg s GLY 232 Ca 0.17 -0.59 -0.28 0.00 0.00 0.00 0.00 44.72 44.03 1pyg s GLY 232 CO 0.07 -0.33 1.61 -0.47 0.00 0.00 0.00 173.10 173.98 1pyg s TYR 233 N -2.98 2.02 -0.54 1.90 5.04 -1.26 -4.17 117.35 117.35 1pyg s TYR 233 Ca 0.53 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1pyg s TYR 233 Cb -0.11 -4.26 0.00 0.00 0.35 0.00 0.00 41.96 37.94 1pyg s TYR 233 CO 0.46 -2.25 0.00 0.54 -1.34 0.00 0.00 175.55 172.97 1pyg n ARG 234 N 8.79 -1.58 0.02 4.97 1.74 -0.62 -4.73 116.66 125.25 1pyg n ARG 234 Ca 0.16 0.41 0.12 0.00 -0.77 0.00 0.00 57.85 57.77 1pyg n ARG 234 Cb 0.50 -4.23 0.17 0.00 -1.02 0.00 0.00 32.46 27.88 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 0.50 0.59 -0.01 0.55 6.94 -1.26 -4.93 115.26 117.64 1pyg n ASN 235 Ca -0.05 -0.21 -0.00 0.00 -0.02 0.00 0.00 54.58 54.30 1pyg n ASN 235 Cb 0.27 0.37 -0.00 0.00 -2.36 0.00 0.00 39.78 38.07 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 -1.71 -3.07 -4.62 0.53 3.02 -1.26 0.45 115.26 108.60 1pyg n ASN 236 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.20 1pyg n ASN 236 Cb 0.37 -0.57 -0.07 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.98 5.06 -0.15 2.41 1.01 -1.26 -4.79 120.40 120.69 1pyg s VAL 237 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 61.98 62.93 1pyg s VAL 237 Cb 0.00 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1pyg s VAL 237 CO 0.00 0.08 -0.19 -0.69 0.00 0.00 0.00 175.10 174.31 1pyg s VAL 238 N 2.29 1.88 0.42 2.92 1.01 -1.26 -1.15 120.40 126.51 1pyg s VAL 238 Ca 0.22 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1pyg s VAL 238 Cb -0.16 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.56 1pyg s VAL 238 CO 0.09 0.51 0.28 0.59 0.00 0.00 0.00 175.10 176.57 1pyg n ASN 239 N 4.43 2.44 -4.64 3.32 3.02 0.39 -4.59 115.26 119.63 1pyg n ASN 239 Ca -0.20 -2.50 -0.31 0.00 -0.03 0.00 0.00 54.58 51.55 1pyg n ASN 239 Cb 0.51 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.59 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 -2.15 3.81 -0.18 3.41 2.01 -1.25 -0.14 115.64 121.16 1pyg s THR 240 Ca 0.21 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.29 1pyg s THR 240 Cb -0.02 -2.75 0.01 0.00 0.01 0.00 0.00 72.50 69.75 1pyg s THR 240 CO 0.14 0.23 -0.16 -0.32 -0.69 0.00 0.00 174.62 173.81 1pyg s MET 241 N -1.93 3.11 -0.25 4.92 1.75 0.13 -2.36 119.30 124.67 1pyg s MET 241 Ca 0.22 -0.78 -0.02 0.00 -1.25 0.00 0.00 55.69 53.85 1pyg s MET 241 Cb -0.11 -2.65 0.02 0.00 2.84 0.00 0.00 34.83 34.92 1pyg s MET 241 CO 0.13 -0.14 -0.04 0.50 -0.65 0.00 0.00 175.02 174.82 1pyg s ARG 242 N 1.19 2.92 -0.11 4.11 6.06 0.09 -0.62 118.95 132.59 1pyg s ARG 242 Ca 0.02 -0.93 0.01 0.00 -2.50 0.00 0.00 55.73 52.34 1pyg s ARG 242 Cb -0.14 -3.03 -0.01 0.00 0.06 0.00 0.00 34.95 31.83 1pyg s ARG 242 CO -0.07 -0.38 -0.16 -0.51 -2.50 0.00 0.00 175.30 171.67 1pyg s LEU 243 N 1.36 2.55 -0.02 -0.88 1.43 -0.12 -2.79 118.68 120.21 1pyg s LEU 243 Ca 0.01 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.48 1pyg s LEU 243 Cb -0.16 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 1pyg s LEU 243 CO -0.04 0.18 0.76 0.26 0.23 0.00 0.00 176.35 177.75 1pyg s TRP 244 N 0.25 3.65 -0.10 0.29 0.52 -0.42 -0.92 118.94 122.22 1pyg s TRP 244 Ca -0.11 1.39 0.04 0.00 0.02 0.00 0.00 56.10 57.44 1pyg s TRP 244 Cb -0.16 -2.85 -0.00 0.00 -1.15 0.00 0.00 33.47 29.31 1pyg s TRP 244 CO 0.06 0.15 -0.23 0.45 0.02 0.00 0.00 176.95 177.39 1pyg s SER 245 N 0.50 3.16 -0.14 2.95 0.15 -0.43 -0.65 113.70 119.24 1pyg s SER 245 Ca 0.40 -0.54 -0.23 0.00 0.70 0.00 0.00 55.95 56.28 1pyg s SER 245 Cb -0.19 -1.36 -0.03 0.00 -1.71 0.00 0.00 66.02 62.73 1pyg s SER 245 CO 0.21 0.17 0.71 0.00 1.20 0.00 0.00 173.24 175.53 1pyg s ALA 246 N 0.28 3.46 -0.02 5.45 0.00 -1.20 -0.73 121.76 129.00 1pyg s ALA 246 Ca -0.17 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1pyg s ALA 246 Cb -0.17 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.88 1pyg s ALA 246 CO 0.08 -0.40 -0.14 0.15 0.00 0.00 0.00 175.76 175.46 1pyg s LYS 247 N 1.53 2.41 0.04 0.00 1.02 0.41 -4.42 119.74 120.73 1pyg s LYS 247 Ca 0.35 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 55.28 1pyg s LYS 247 Cb -0.17 -2.36 -0.04 0.00 -0.52 0.00 0.00 37.83 34.74 1pyg s LYS 247 CO 0.14 0.60 0.92 0.00 -0.92 0.00 0.00 175.35 176.09 1pyg s ALA 248 N -0.83 3.23 -0.26 5.17 0.00 -1.26 -1.36 121.76 126.45 1pyg s ALA 248 Ca 0.13 0.49 0.21 0.00 0.00 0.00 0.00 51.96 52.79 1pyg s ALA 248 Cb -0.11 -3.24 0.07 0.00 0.00 0.00 0.00 23.12 19.84 1pyg s ALA 248 CO 0.03 -0.11 1.18 -1.00 0.00 0.00 0.00 175.76 175.87 1pyg h PRO 249 N 6.22 0.00 0.00 0.00 0.13 -1.96 -3.47 132.00 132.92 1pyg h PRO 249 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1pyg h PRO 249 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1pyg h PRO 249 CO 0.73 0.08 0.00 1.04 -0.23 0.00 0.00 178.00 179.63 1pyg n GLN 264 N -2.86 0.00 0.04 0.86 3.00 -1.26 -5.09 117.38 112.07 1pyg n GLN 264 Ca -0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.03 1pyg n GLN 264 Cb 0.60 0.00 0.22 0.00 0.00 0.00 0.00 30.24 31.06 1pyg n GLN 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1pyg n ALA 265 N 0.00 1.25 -0.33 -1.58 0.00 -1.26 -0.47 120.51 118.12 1pyg n ALA 265 Ca 0.00 0.02 0.22 0.00 0.00 0.00 0.00 53.44 53.69 1pyg n ALA 265 Cb 0.00 -1.15 0.44 0.00 0.00 0.00 0.00 19.45 18.75 1pyg n ALA 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pyg h VAL 266 N 0.00 0.27 -0.24 0.00 2.07 -2.05 0.18 116.25 116.47 1pyg h VAL 266 Ca 0.00 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 1pyg h VAL 266 Cb 0.10 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1pyg h VAL 266 CO 0.00 0.05 0.12 -0.07 0.02 0.00 0.00 177.57 177.68 1pyg h LEU 267 N 0.27 0.32 -0.09 2.57 3.38 -1.21 -1.86 115.31 118.68 1pyg h LEU 267 Ca 0.71 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.59 1pyg h LEU 267 Cb 1.60 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 1pyg h LEU 267 CO -0.64 0.35 -0.37 0.44 0.09 0.00 0.00 178.44 178.32 1pyg h ASP 268 N 0.26 -1.14 -0.75 -0.43 3.32 -0.85 0.47 116.42 117.29 1pyg h ASP 268 Ca 0.08 0.15 0.12 0.00 0.02 0.00 0.00 57.03 57.40 1pyg h ASP 268 Cb 0.12 0.47 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 1pyg h ASP 268 CO -0.01 -0.40 0.49 -0.09 -1.72 0.00 0.00 179.24 177.51 1pyg h ARG 269 N -0.47 0.55 0.06 3.56 2.43 -0.85 -0.50 114.38 119.16 1pyg h ARG 269 Ca 0.08 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 1pyg h ARG 269 Cb 0.59 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1pyg h ARG 269 CO -0.35 0.37 -0.85 -0.97 -1.51 0.00 0.00 179.97 176.66 1pyg h ASN 270 N 0.57 0.19 0.18 -3.80 -0.73 -0.64 -2.81 115.58 108.54 1pyg h ASN 270 Ca 0.36 -0.83 -0.00 0.00 1.87 0.00 0.00 56.30 57.69 1pyg h ASN 270 Cb 0.60 -0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 1pyg h ASN 270 CO -0.13 1.36 -0.01 -0.07 -0.37 0.00 0.00 177.43 178.22 1pyg h LEU 271 N -0.69 0.00 0.11 0.34 3.38 -0.49 0.27 115.31 118.22 1pyg h LEU 271 Ca -0.20 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.44 1pyg h LEU 271 Cb 1.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1pyg h LEU 271 CO -0.01 0.01 -1.78 0.00 0.09 0.00 0.00 178.44 176.75 1pyg h ALA 272 N 1.99 0.36 0.00 1.53 0.00 -1.21 -3.32 119.26 118.61 1pyg h ALA 272 Ca -0.00 -1.31 -0.00 0.00 0.00 0.00 0.00 54.91 53.60 1pyg h ALA 272 Cb 0.10 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1pyg h ALA 272 CO 0.00 1.13 -0.00 0.93 0.00 0.00 0.00 179.25 181.31 1pyg h GLU 273 N -0.17 0.00 0.00 0.00 3.07 -1.06 -1.92 114.58 114.50 1pyg h GLU 273 Ca -0.39 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1pyg h GLU 273 Cb 1.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.78 1pyg h GLU 273 CO 0.04 0.00 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 1pyg n ASN 274 N -3.10 0.00 0.18 1.42 5.03 0.87 -2.36 115.26 117.30 1pyg n ASN 274 Ca -0.02 0.21 0.13 0.00 0.87 0.00 0.00 54.58 55.77 1pyg n ASN 274 Cb 0.14 -0.38 0.35 0.00 -1.02 0.00 0.00 39.78 38.87 1pyg n ASN 274 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1pyg h ILE 275 N 0.00 0.00 0.00 2.41 2.04 -1.51 -3.50 117.51 116.95 1pyg h ILE 275 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1pyg h ILE 275 Cb 0.25 1.65 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 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 -2.71 0.00 0.00 1.72 7.64 -0.99 -4.94 113.62 114.35 1pyg n SER 276 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1pyg n SER 276 Cb 0.44 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 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 -1.02 0.00 -0.22 1.43 2.85 -1.26 -3.28 118.16 116.66 1pyg n LYS 289 Ca 0.00 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.34 1pyg n LYS 289 Cb 0.00 0.00 0.36 0.00 -0.65 0.00 0.00 35.03 34.74 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 0.73 -0.77 -1.58 4.81 -2.01 -2.66 114.58 113.10 1pyg h GLU 290 Ca 0.00 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1pyg h GLU 290 Cb 0.00 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 1pyg h GLU 290 CO 0.00 0.48 0.50 1.25 -0.73 0.00 0.00 179.01 180.51 1pyg h LEU 291 N 0.75 0.69 -0.23 1.64 5.85 -2.00 -1.53 115.31 120.48 1pyg h LEU 291 Ca 0.36 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 1pyg h LEU 291 Cb 0.42 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1pyg h LEU 291 CO -0.14 0.43 -0.36 -0.09 -0.34 0.00 0.00 178.44 177.94 1pyg h ARG 292 N 0.78 0.66 -0.60 1.25 1.12 -1.91 0.11 114.38 115.78 1pyg h ARG 292 Ca 0.34 -0.40 0.01 0.00 -1.11 0.00 0.00 59.98 58.82 1pyg h ARG 292 Cb 0.32 0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 30.28 1pyg h ARG 292 CO -0.12 1.01 0.40 1.25 -3.11 0.00 0.00 179.97 179.40 1pyg h LEU 293 N 0.36 0.68 -0.65 3.80 5.85 -1.52 0.92 115.31 124.75 1pyg h LEU 293 Ca 0.02 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 1pyg h LEU 293 Cb 0.95 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1pyg h LEU 293 CO 0.08 0.49 -0.15 0.11 -0.34 0.00 0.00 178.44 178.64 1pyg h LYS 294 N 0.80 0.91 -0.44 1.25 1.57 -0.82 0.26 116.57 120.10 1pyg h LYS 294 Ca 0.22 -0.34 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 1pyg h LYS 294 Cb -0.07 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1pyg h LYS 294 CO -0.05 0.99 -0.21 0.37 -0.57 0.00 0.00 179.45 179.97 1pyg h GLN 295 N 0.80 0.92 -0.24 3.15 4.15 0.18 -0.83 115.11 123.24 1pyg h GLN 295 Ca 0.12 -0.40 -0.12 0.00 0.77 0.00 0.00 58.65 59.01 1pyg h GLN 295 Cb 0.68 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1pyg h GLN 295 CO 0.05 1.06 -0.37 0.93 -1.93 0.00 0.00 178.83 178.58 1pyg h GLU 296 N 0.76 0.55 -0.11 1.69 5.08 -0.47 -2.84 114.58 119.23 1pyg h GLU 296 Ca 0.10 -0.26 -0.24 0.00 -1.00 0.00 0.00 59.36 57.96 1pyg h GLU 296 Cb 0.79 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.04 1pyg h GLU 296 CO 0.06 0.83 -0.86 -0.92 -1.00 0.00 0.00 179.01 177.13 1pyg h TYR 297 N 0.46 1.07 -0.18 4.33 3.20 -0.38 -3.14 116.97 122.34 1pyg h TYR 297 Ca 0.05 -0.50 0.04 0.00 3.14 0.00 0.00 58.73 61.46 1pyg h TYR 297 Cb 0.85 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1pyg h TYR 297 CO 0.03 1.34 -0.10 0.35 -1.64 0.00 0.00 178.16 178.14 1pyg h PHE 298 N 0.50 -0.24 -0.75 -3.82 3.57 -1.09 0.54 116.94 115.66 1pyg h PHE 298 Ca -0.08 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.48 1pyg h PHE 298 Cb 1.49 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.33 1pyg h PHE 298 CO 0.09 -0.16 0.49 0.28 -2.23 0.00 0.00 178.31 176.79 1pyg h VAL 299 N -0.09 1.13 -0.01 1.41 2.07 -1.58 -2.44 116.25 116.74 1pyg h VAL 299 Ca 0.10 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1pyg h VAL 299 Cb 0.24 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1pyg h VAL 299 CO -0.24 0.17 -0.16 0.58 0.02 0.00 0.00 177.57 177.95 1pyg h VAL 300 N 0.92 1.56 0.73 2.57 2.07 -1.34 -2.90 116.25 119.87 1pyg h VAL 300 Ca 0.29 -1.86 -0.03 0.00 0.82 0.00 0.00 66.70 65.92 1pyg h VAL 300 Cb 0.03 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1pyg h VAL 300 CO -0.08 0.50 -0.41 0.00 0.02 0.00 0.00 177.57 177.60 1pyg h ALA 301 N 0.26 -1.08 -0.57 1.67 0.00 -0.85 -1.00 119.26 117.70 1pyg h ALA 301 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pyg h ALA 301 Cb 0.90 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1pyg h ALA 301 CO 0.03 -1.12 0.36 0.00 0.00 0.00 0.00 179.25 178.52 1pyg h ALA 302 N -0.85 0.73 -0.30 0.00 0.00 -1.60 -2.98 119.26 114.25 1pyg h ALA 302 Ca -0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1pyg h ALA 302 Cb 0.84 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1pyg h ALA 302 CO 0.12 0.19 0.11 1.15 0.00 0.00 0.00 179.25 180.82 1pyg h THR 303 N 0.77 0.92 0.00 0.00 2.02 -1.36 -2.71 112.91 112.55 1pyg h THR 303 Ca 0.21 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.29 1pyg h THR 303 Cb -0.04 0.66 -0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1pyg h THR 303 CO -0.04 0.04 -0.09 -0.07 0.37 0.00 0.00 175.52 175.73 1pyg h LEU 304 N 0.24 0.00 -0.39 2.58 3.38 -1.10 0.14 115.31 120.16 1pyg h LEU 304 Ca 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1pyg h LEU 304 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1pyg h LEU 304 CO -0.13 0.09 0.06 1.56 0.09 0.00 0.00 178.44 180.11 1pyg h GLN 305 N 0.00 0.65 -0.33 1.13 4.20 -1.34 -1.23 115.11 118.19 1pyg h GLN 305 Ca -0.00 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 1pyg h GLN 305 Cb 0.47 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1pyg h GLN 305 CO 0.01 0.70 0.14 -0.44 -0.67 0.00 0.00 178.83 178.58 1pyg h ASP 306 N 0.50 0.45 -0.04 1.46 5.19 -0.52 -2.51 116.42 120.94 1pyg h ASP 306 Ca 0.12 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1pyg h ASP 306 Cb 0.37 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1pyg h ASP 306 CO 0.01 0.48 0.02 0.40 -3.12 0.00 0.00 179.24 177.03 1pyg h ILE 307 N 0.39 1.00 -0.48 0.35 2.04 -1.01 -0.49 117.51 119.31 1pyg h ILE 307 Ca 0.11 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.91 1pyg h ILE 307 Cb 0.16 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1pyg h ILE 307 CO -0.01 0.01 0.13 0.40 0.00 0.00 0.00 178.15 178.68 1pyg h ILE 308 N 0.04 1.23 -0.13 -0.67 1.08 -1.23 -2.32 117.51 115.52 1pyg h ILE 308 Ca 0.01 -0.79 0.03 0.00 -0.39 0.00 0.00 64.86 63.72 1pyg h ILE 308 Cb -0.00 0.84 -0.03 0.00 -3.07 0.00 0.00 36.82 34.56 1pyg h ILE 308 CO -0.01 0.29 -0.04 -0.09 -0.69 0.00 0.00 178.15 177.61 1pyg h ARG 309 N 0.65 -0.01 0.00 2.37 1.12 -1.25 -1.20 114.38 116.05 1pyg h ARG 309 Ca 0.15 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.99 1pyg h ARG 309 Cb 0.30 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.26 1pyg h ARG 309 CO -0.00 -0.01 -0.14 -0.09 -3.11 0.00 0.00 179.97 176.62 1pyg h ARG 310 N -0.01 0.00 0.28 0.20 2.43 -0.89 -1.48 114.38 114.90 1pyg h ARG 310 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 1pyg h ARG 310 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1pyg h ARG 310 CO -0.14 0.14 -0.13 0.35 -1.51 0.00 0.00 179.97 178.67 1pyg h PHE 311 N 0.00 -0.34 -0.89 2.20 3.57 -0.78 -3.33 116.94 117.37 1pyg h PHE 311 Ca -0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.60 1pyg h PHE 311 Cb 0.59 0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.38 1pyg h PHE 311 CO 0.00 -0.07 0.57 0.87 -2.23 0.00 0.00 178.31 177.46 1pyg h LYS 312 N -1.02 0.80 -2.36 1.11 1.57 -1.19 -3.24 116.57 112.24 1pyg h LYS 312 Ca -0.04 -0.05 -0.72 0.00 -1.87 0.00 0.00 60.65 57.97 1pyg h LYS 312 Cb 0.43 -0.18 -0.33 0.00 0.08 0.00 0.00 32.23 32.22 1pyg h LYS 312 CO 0.06 0.53 0.32 0.43 -0.57 0.00 0.00 179.45 180.22 1pyg n SER 313 N -4.54 5.97 0.14 0.86 7.64 -0.57 -1.96 113.62 121.15 1pyg n SER 313 Ca 0.16 -3.62 0.10 0.00 1.01 0.00 0.00 58.87 56.52 1pyg n SER 313 Cb 0.36 -0.95 0.05 0.00 -1.01 0.00 0.00 64.21 62.66 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 4.03 0.00 -4.07 6.43 4.64 -1.70 -3.46 113.55 119.42 1pyg h SER 314 Ca 0.33 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 61.13 1pyg h SER 314 Cb 0.46 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.64 1pyg h SER 314 CO 1.06 0.07 0.46 -0.75 -0.87 0.00 0.00 176.83 176.81 1pyg s LYS 315 N -3.26 3.29 -0.36 4.77 2.47 -1.26 -4.90 119.74 120.48 1pyg s LYS 315 Ca 0.02 1.75 -0.29 0.00 -1.56 0.00 0.00 55.97 55.89 1pyg s LYS 315 Cb 0.08 -2.06 0.01 0.00 -1.46 0.00 0.00 37.83 34.39 1pyg s LYS 315 CO 0.75 -0.93 1.35 0.12 0.16 0.00 0.00 175.35 176.80 1pyg s PHE 316 N -1.64 2.54 0.00 4.03 5.36 -1.26 -2.15 117.98 124.85 1pyg s PHE 316 Ca 0.73 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 1pyg s PHE 316 Cb -0.28 -4.13 0.00 0.00 -0.34 0.00 0.00 43.02 38.27 1pyg s PHE 316 CO 0.31 -1.85 0.00 0.41 -1.46 0.00 0.00 175.22 172.64 1pyg n GLY 317 N 4.72 2.12 3.92 13.12 0.00 -1.26 -5.03 105.19 122.79 1pyg n GLY 317 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.37 0.93 -2.04 0.00 1.74 -1.26 -4.70 116.66 108.96 1pyg n ARG 319 Ca 0.02 -0.81 -0.30 0.00 -0.77 0.00 0.00 57.85 56.00 1pyg n ARG 319 Cb 0.57 -0.80 0.02 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.38 5.90 0.65 0.55 1.01 -1.26 -4.97 116.67 118.17 1pyg s ASP 320 Ca 0.00 1.17 0.00 0.00 0.71 0.00 0.00 52.55 54.43 1pyg s ASP 320 Cb 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.76 1pyg s ASP 320 CO 0.00 -1.01 0.00 -2.65 0.21 0.00 0.00 175.17 171.72 1pyg n PRO 321 N -2.75 -0.93 0.00 8.23 -0.02 -1.26 -4.36 135.00 133.91 1pyg n PRO 321 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1pyg n PRO 321 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 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 -2.29 0.00 -2.29 -1.45 0.31 -0.83 -4.82 118.33 106.96 1pyg n VAL 322 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 1pyg n VAL 322 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 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 0.00 2.97 -0.00 5.55 0.52 -1.01 -4.36 118.95 122.62 1pyg s ARG 323 Ca 0.00 -0.24 0.08 0.00 -0.52 0.00 0.00 55.73 55.05 1pyg s ARG 323 Cb 0.00 -4.75 -0.10 0.00 0.52 0.00 0.00 34.95 30.62 1pyg s ARG 323 CO 0.00 -2.64 0.27 2.41 0.02 0.00 0.00 175.30 175.36 1pyg n THR 324 N 7.11 0.00 -2.31 0.02 -1.04 -1.26 -3.95 114.28 112.85 1pyg n THR 324 Ca 0.24 -0.26 -0.41 0.00 -2.04 0.00 0.00 64.05 61.58 1pyg n THR 324 Cb 0.50 0.71 -0.03 0.00 -1.82 0.00 0.00 70.33 69.69 1pyg n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1pyg s ASN 325 N -2.25 5.97 0.00 8.00 2.47 -1.26 -4.84 114.94 123.03 1pyg s ASN 325 Ca 0.00 0.37 0.17 0.00 0.42 0.00 0.00 52.86 53.82 1pyg s ASN 325 Cb 0.06 -2.54 1.00 0.00 -1.45 0.00 0.00 41.25 38.32 1pyg s ASN 325 CO 0.33 -1.82 1.46 0.49 -3.72 0.00 0.00 177.10 173.84 1pyg n PHE 326 N 10.13 0.00 0.18 0.43 3.01 -1.26 -3.42 117.46 126.53 1pyg n PHE 326 Ca 0.14 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.74 1pyg n PHE 326 Cb 0.49 -0.06 0.73 0.00 -0.01 0.00 0.00 39.48 40.63 1pyg n PHE 326 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1pyg h ASP 327 N 0.00 0.00 0.35 4.37 3.32 -1.99 -1.46 116.42 121.01 1pyg h ASP 327 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pyg h ASP 327 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1pyg h ASP 327 CO 0.00 0.00 -0.36 0.00 -1.72 0.00 0.00 179.24 177.16 1pyg n ALA 328 N -2.50 3.27 -0.17 3.45 0.00 -1.22 -4.57 120.51 118.77 1pyg n ALA 328 Ca 0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.04 1pyg n ALA 328 Cb 0.28 -1.13 0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 0.67 -0.57 0.00 0.00 3.57 -1.50 0.82 116.94 119.92 1pyg h PHE 329 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1pyg h PHE 329 Cb 0.50 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.57 1pyg h PHE 329 CO 0.00 -0.31 0.00 -0.35 -2.23 0.00 0.00 178.31 175.42 1pyg n PRO 330 N -5.41 0.13 0.00 6.41 -0.04 -1.26 -0.23 135.00 134.60 1pyg n PRO 330 Ca 0.04 0.29 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 1pyg n PRO 330 Cb 0.32 -1.72 0.47 0.00 -0.04 0.00 0.00 33.50 32.53 1pyg n PRO 330 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1pyg n ASP 331 N -1.96 0.52 0.00 3.54 8.00 0.25 -4.17 116.55 122.73 1pyg n ASP 331 Ca 0.04 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1pyg n ASP 331 Cb 0.26 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 1pyg n ASP 331 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1pyg n LYS 332 N -1.12 4.22 -4.53 -1.24 4.76 -0.24 -4.59 118.16 115.42 1pyg n LYS 332 Ca 0.10 0.00 -0.24 0.00 -2.87 0.00 0.00 58.31 55.31 1pyg n LYS 332 Cb 0.32 -0.66 -0.14 0.00 -1.84 0.00 0.00 35.03 32.71 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 -1.29 1.52 -0.07 -0.18 1.01 0.68 -0.58 120.40 121.49 1pyg s VAL 333 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.82 1pyg s VAL 333 Cb 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.05 1pyg s VAL 333 CO 0.00 0.13 -0.12 0.00 0.00 0.00 0.00 175.10 175.11 1pyg s ALA 334 N -0.85 1.24 -0.13 5.51 0.00 -0.47 -4.62 121.76 122.45 1pyg s ALA 334 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1pyg s ALA 334 Cb -0.09 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 1pyg s ALA 334 CO 0.02 0.09 -0.14 0.42 0.00 0.00 0.00 175.76 176.14 1pyg s ILE 335 N 0.72 2.93 -0.37 0.00 1.01 -1.03 -1.06 121.20 123.40 1pyg s ILE 335 Ca -0.14 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 1pyg s ILE 335 Cb -0.16 -2.22 0.09 0.00 0.01 0.00 0.00 42.46 40.18 1pyg s ILE 335 CO 0.03 0.53 0.12 -1.58 0.00 0.00 0.00 174.94 174.04 1pyg s GLN 336 N 0.37 2.16 -0.60 2.79 2.00 -0.16 -1.65 119.66 124.57 1pyg s GLN 336 Ca -0.12 -1.60 -0.23 0.00 -2.00 0.00 0.00 55.36 51.41 1pyg s GLN 336 Cb -0.16 -3.43 0.05 0.00 0.80 0.00 0.00 33.01 30.27 1pyg s GLN 336 CO 0.06 -0.89 0.96 -0.51 -0.50 0.00 0.00 175.29 174.40 1pyg s LEU 337 N 1.19 4.20 -0.92 3.68 1.43 -0.16 -1.88 118.68 126.22 1pyg s LEU 337 Ca 0.03 -0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 52.31 1pyg s LEU 337 Cb -0.21 -2.63 0.15 0.00 0.03 0.00 0.00 46.19 43.52 1pyg s LEU 337 CO -0.03 -1.33 1.07 0.21 0.23 0.00 0.00 176.35 176.50 1pyg s ASN 338 N 3.23 6.67 0.00 2.29 2.47 -1.09 -1.16 114.94 127.34 1pyg s ASN 338 Ca 0.27 -2.19 0.00 0.00 0.42 0.00 0.00 52.86 51.36 1pyg s ASN 338 Cb -0.14 -2.37 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 1pyg s ASN 338 CO 0.15 -0.97 0.00 0.47 -3.72 0.00 0.00 177.10 173.03 1pyg n ASP 339 N 6.06 0.00 -0.03 -4.21 8.00 -0.82 -4.49 116.55 121.06 1pyg n ASP 339 Ca 0.23 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.88 1pyg n ASP 339 Cb 0.49 0.00 0.91 0.00 -0.02 0.00 0.00 41.12 42.50 1pyg n ASP 339 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pyg n THR 340 N -0.62 0.00 0.01 -3.53 -2.24 -1.26 -4.10 114.28 102.53 1pyg n THR 340 Ca 0.00 -0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1pyg n THR 340 Cb 0.00 -0.44 0.33 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.14 0.52 -0.51 4.78 3.86 -1.96 -1.61 115.15 120.37 1pyg h HIS 341 Ca 0.00 -0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.02 1pyg h HIS 341 Cb 0.05 -0.16 -0.09 0.00 1.06 0.00 0.00 27.41 28.27 1pyg h HIS 341 CO 0.00 0.48 0.19 -0.35 0.86 0.00 0.00 177.93 179.11 1pyg n PRO 342 N -4.32 2.87 0.27 2.45 -0.05 -1.26 -4.64 135.00 130.32 1pyg n PRO 342 Ca 0.02 -2.08 0.13 0.00 -0.05 0.00 0.00 63.50 61.51 1pyg n PRO 342 Cb 0.20 -1.92 0.76 0.00 -0.05 0.00 0.00 33.50 32.49 1pyg n PRO 342 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 1pyg h SER 343 N 1.83 0.00 0.07 3.54 4.64 -1.54 -0.83 113.55 121.26 1pyg h SER 343 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1pyg h SER 343 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 1pyg h SER 343 CO 0.51 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.74 1pyg n LEU 344 N -3.78 0.00 0.27 5.97 4.77 -1.26 -1.26 117.00 121.71 1pyg n LEU 344 Ca -0.02 0.37 0.15 0.00 -0.03 0.00 0.00 56.01 56.47 1pyg n LEU 344 Cb 0.19 -0.37 0.75 0.00 -2.33 0.00 0.00 43.42 41.66 1pyg n LEU 344 CO 0.30 -0.34 0.99 0.00 -1.33 0.00 0.00 177.39 177.01 1pyg h ALA 345 N 2.11 1.16 0.18 -1.18 0.00 -1.52 -1.03 119.26 118.98 1pyg h ALA 345 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1pyg h ALA 345 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pyg h ALA 345 CO 0.00 0.12 -0.09 0.82 0.00 0.00 0.00 179.25 180.10 1pyg h ILE 346 N 0.00 0.00 -0.57 0.00 2.04 -1.41 -0.78 117.51 116.79 1pyg h ILE 346 Ca -0.00 -0.50 0.12 0.00 1.00 0.00 0.00 64.86 65.48 1pyg h ILE 346 Cb 0.37 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.35 1pyg h ILE 346 CO 0.01 0.00 -0.12 1.55 0.00 0.00 0.00 178.15 179.59 1pyg h PRO 347 N -0.74 0.01 -0.47 2.37 0.13 -1.74 -2.52 132.00 129.04 1pyg h PRO 347 Ca -0.02 -0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.17 1pyg h PRO 347 Cb 0.18 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.25 1pyg h PRO 347 CO 0.04 0.01 0.15 1.49 -0.23 0.00 0.00 178.00 179.46 1pyg h GLU 348 N 0.02 0.30 -0.76 0.86 4.57 -1.26 0.19 114.58 118.50 1pyg h GLU 348 Ca 0.28 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1pyg h GLU 348 Cb 0.43 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1pyg h GLU 348 CO -0.57 0.20 0.42 1.25 -1.18 0.00 0.00 179.01 179.13 1pyg h LEU 349 N 0.31 0.94 -0.65 1.64 5.85 -0.99 0.13 115.31 122.54 1pyg h LEU 349 Ca 0.23 -0.09 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1pyg h LEU 349 Cb 0.25 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.97 1pyg h LEU 349 CO -0.25 0.76 0.29 0.24 -0.34 0.00 0.00 178.44 179.14 1pyg h MET 350 N 1.05 0.49 -0.41 1.25 2.86 -0.94 0.14 114.93 119.37 1pyg h MET 350 Ca 0.27 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1pyg h MET 350 Cb 0.02 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 1pyg h MET 350 CO -0.04 0.32 0.03 -0.09 1.06 0.00 0.00 176.91 178.19 1pyg h ARG 351 N 0.50 0.71 0.23 1.72 2.43 0.65 0.01 114.38 120.64 1pyg h ARG 351 Ca 0.32 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 1pyg h ARG 351 Cb 0.36 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1pyg h ARG 351 CO -0.28 0.77 -0.11 0.28 -1.51 0.00 0.00 179.97 179.12 1pyg h VAL 352 N 0.55 0.81 -0.85 0.20 2.07 -0.47 0.10 116.25 118.65 1pyg h VAL 352 Ca 0.12 -0.77 0.10 0.00 0.82 0.00 0.00 66.70 66.97 1pyg h VAL 352 Cb 0.44 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 1pyg h VAL 352 CO 0.02 0.16 0.55 -0.07 0.02 0.00 0.00 177.57 178.24 1pyg h LEU 353 N -0.74 0.71 0.03 2.57 3.38 -0.64 -0.55 115.31 120.07 1pyg h LEU 353 Ca -0.03 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1pyg h LEU 353 Cb 0.50 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1pyg h LEU 353 CO 0.05 0.41 -1.75 0.52 0.09 0.00 0.00 178.44 177.76 1pyg n VAL 354 N -4.52 1.59 0.05 1.22 0.31 -0.02 -0.61 118.33 116.35 1pyg n VAL 354 Ca 0.15 -0.28 -0.09 0.00 -0.01 0.00 0.00 64.34 64.11 1pyg n VAL 354 Cb 0.34 -1.90 -0.13 0.00 -0.91 0.00 0.00 33.84 31.25 1pyg n VAL 354 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1pyg h ASP 355 N -0.67 0.06 0.00 4.52 5.19 -1.02 -2.44 116.42 122.07 1pyg h ASP 355 Ca -0.45 -0.07 -0.34 0.00 -0.62 0.00 0.00 57.03 55.55 1pyg h ASP 355 Cb 1.58 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 41.01 1pyg h ASP 355 CO -0.17 1.06 -2.24 0.18 -3.12 0.00 0.00 179.24 174.95 1pyg n LEU 356 N -3.33 2.48 0.08 1.55 4.77 -0.54 -4.50 117.00 117.51 1pyg n LEU 356 Ca -0.04 0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1pyg n LEU 356 Cb 0.97 -0.72 0.18 0.00 -2.33 0.00 0.00 43.42 41.52 1pyg n LEU 356 CO 0.47 0.72 0.40 -0.33 -1.33 0.00 0.00 177.39 177.32 1pyg h GLU 357 N -0.30 0.00 -3.42 3.23 4.39 -1.20 -3.48 114.58 113.80 1pyg h GLU 357 Ca -0.51 0.00 -0.40 0.00 0.34 0.00 0.00 59.36 58.78 1pyg h GLU 357 Cb 1.65 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1pyg h GLU 357 CO -0.18 0.00 -0.53 0.54 -1.16 0.00 0.00 179.01 177.68 1pyg n ARG 358 N -2.23 -2.41 -2.32 2.33 5.12 -0.92 -4.95 116.66 111.27 1pyg n ARG 358 Ca 0.03 0.95 -0.40 0.00 -1.93 0.00 0.00 57.85 56.50 1pyg n ARG 358 Cb 0.45 -5.66 -0.03 0.00 -1.16 0.00 0.00 32.46 26.06 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 -6.15 4.49 0.15 0.55 2.01 0.22 -4.97 118.68 114.98 1pyg s LEU 359 Ca 0.07 2.44 -0.30 0.00 0.01 0.00 0.00 54.13 56.35 1pyg s LEU 359 Cb -0.03 -3.65 -0.07 0.00 0.01 0.00 0.00 46.19 42.46 1pyg s LEU 359 CO 0.08 -0.31 0.98 1.51 1.01 0.00 0.00 176.35 179.62 1pyg s ASP 360 N -0.73 7.50 0.02 2.29 -4.77 -1.26 -4.19 116.67 115.52 1pyg s ASP 360 Ca 0.47 1.88 -0.03 0.00 -3.30 0.00 0.00 52.55 51.56 1pyg s ASP 360 Cb -0.35 -2.60 -0.01 0.00 -1.09 0.00 0.00 42.92 38.88 1pyg s ASP 360 CO 0.46 -0.04 0.16 1.87 0.70 0.00 0.00 175.17 178.32 1pyg n TRP 361 N 2.42 -0.04 -0.08 2.11 -0.00 -1.26 -0.38 117.44 120.21 1pyg n TRP 361 Ca 0.01 0.12 -0.07 0.00 -0.00 0.00 0.00 57.50 57.57 1pyg n TRP 361 Cb 0.48 -0.48 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1pyg n TRP 361 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 177.69 177.25 1pyg h ASP 362 N 0.00 -0.07 0.32 5.87 3.32 -1.99 0.37 116.42 124.24 1pyg h ASP 362 Ca 0.02 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1pyg h ASP 362 Cb 0.04 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1pyg h ASP 362 CO -0.09 0.00 -0.29 0.50 -1.72 0.00 0.00 179.24 177.64 1pyg h LYS 363 N 0.12 0.00 -0.01 3.56 1.63 -1.09 -1.69 116.57 119.10 1pyg h LYS 363 Ca 0.14 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.75 1pyg h LYS 363 Cb 0.18 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1pyg h LYS 363 CO -0.22 0.29 -0.84 0.00 -3.45 0.00 0.00 179.45 175.23 1pyg h ALA 364 N 1.71 0.55 0.07 5.00 0.00 -0.09 -2.18 119.26 124.32 1pyg h ALA 364 Ca -0.00 -0.69 -0.24 0.00 0.00 0.00 0.00 54.91 53.97 1pyg h ALA 364 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1pyg h ALA 364 CO 0.04 0.87 -1.11 2.35 0.00 0.00 0.00 179.25 181.40 1pyg h TRP 365 N 0.14 0.32 -0.65 0.00 2.91 -0.08 -0.44 115.95 118.15 1pyg h TRP 365 Ca -0.04 -0.22 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1pyg h TRP 365 Cb 1.45 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 30.05 1pyg h TRP 365 CO 0.03 1.15 0.42 1.49 -1.03 0.00 0.00 178.44 180.50 1pyg h GLU 366 N 0.06 0.87 0.06 2.65 4.81 -1.08 -0.93 114.58 121.02 1pyg h GLU 366 Ca -0.08 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 58.91 1pyg h GLU 366 Cb 1.84 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 31.04 1pyg h GLU 366 CO 0.17 0.59 -0.71 0.28 -0.73 0.00 0.00 179.01 178.61 1pyg h VAL 367 N 0.89 1.46 0.09 0.32 2.07 -1.31 -2.99 116.25 116.77 1pyg h VAL 367 Ca 0.24 -2.27 0.02 0.00 0.82 0.00 0.00 66.70 65.51 1pyg h VAL 367 Cb -0.08 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1pyg h VAL 367 CO -0.05 0.65 -0.28 0.74 0.02 0.00 0.00 177.57 178.65 1pyg h THR 368 N -0.20 0.38 -0.69 2.57 2.02 -0.58 -1.28 112.91 115.13 1pyg h THR 368 Ca -0.11 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 1pyg h THR 368 Cb 1.47 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1pyg h THR 368 CO 0.14 0.00 0.20 0.58 0.37 0.00 0.00 175.52 176.81 1pyg h VAL 369 N -0.48 1.25 -0.29 3.16 2.07 -1.26 0.11 116.25 120.81 1pyg h VAL 369 Ca 0.04 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.56 1pyg h VAL 369 Cb 0.52 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1pyg h VAL 369 CO -0.19 0.35 -0.26 0.11 0.02 0.00 0.00 177.57 177.60 1pyg h LYS 370 N 1.03 0.57 -0.00 1.57 1.57 -1.47 -0.48 116.57 119.35 1pyg h LYS 370 Ca 0.22 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1pyg h LYS 370 Cb 0.31 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1pyg h LYS 370 CO -0.01 0.78 -0.06 1.15 -0.57 0.00 0.00 179.45 180.75 1pyg h THR 371 N 0.50 1.60 -3.91 -0.16 2.02 -0.44 -3.45 112.91 109.07 1pyg h THR 371 Ca 0.07 -1.85 -0.46 0.00 0.77 0.00 0.00 66.41 64.93 1pyg h THR 371 Cb 0.71 2.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.94 1pyg h THR 371 CO 0.05 0.49 0.25 0.00 0.37 0.00 0.00 175.52 176.68 1pyg s ALA 373 N -2.03 0.10 -0.07 0.00 0.00 -0.66 -1.46 121.76 117.65 1pyg s ALA 373 Ca 0.57 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.93 1pyg s ALA 373 Cb -0.11 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.21 1pyg s ALA 373 CO 0.16 -0.25 -0.19 -0.47 0.00 0.00 0.00 175.76 175.01 1pyg s TYR 374 N -2.21 2.01 -0.13 0.00 5.04 -0.65 -0.99 117.35 120.42 1pyg s TYR 374 Ca -0.09 -0.70 0.01 0.00 -2.44 0.00 0.00 57.07 53.85 1pyg s TYR 374 Cb -0.04 -1.36 -0.01 0.00 0.35 0.00 0.00 41.96 40.90 1pyg s TYR 374 CO -0.03 -0.27 -0.15 0.99 -1.34 0.00 0.00 175.55 174.74 1pyg s THR 375 N 0.24 2.82 -0.15 4.34 2.01 -0.31 -2.33 115.64 122.26 1pyg s THR 375 Ca -0.11 -0.74 -0.08 0.00 0.31 0.00 0.00 61.69 61.07 1pyg s THR 375 Cb -0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.15 1pyg s THR 375 CO 0.05 0.53 0.13 0.21 -0.69 0.00 0.00 174.62 174.84 1pyg s ASN 376 N 0.44 6.27 -0.02 3.53 3.04 0.12 -1.95 114.94 126.37 1pyg s ASN 376 Ca -0.11 0.36 0.01 0.00 0.04 0.00 0.00 52.86 53.16 1pyg s ASN 376 Cb -0.16 -2.06 -0.02 0.00 -1.54 0.00 0.00 41.25 37.47 1pyg s ASN 376 CO 0.05 0.32 -0.01 1.41 -3.04 0.00 0.00 177.10 175.83 1pyg n HIS 377 N 2.58 0.00 -1.35 0.43 8.25 -1.26 -3.52 115.22 120.35 1pyg n HIS 377 Ca -0.18 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.92 1pyg n HIS 377 Cb 0.54 -0.10 0.08 0.00 1.12 0.00 0.00 29.99 31.63 1pyg n HIS 377 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1pyg n THR 378 N -2.44 2.69 -0.05 1.59 5.66 -1.26 -4.79 114.28 115.68 1pyg n THR 378 Ca -0.04 -0.38 -0.03 0.00 -3.05 0.00 0.00 64.05 60.55 1pyg n THR 378 Cb 0.55 -1.05 -0.01 0.00 -1.55 0.00 0.00 70.33 68.27 1pyg n THR 378 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1pyg h VAL 379 N -0.25 0.00 -3.47 1.08 2.07 -1.94 -3.49 116.25 110.25 1pyg h VAL 379 Ca -0.47 -0.70 -0.52 0.00 0.82 0.00 0.00 66.70 65.83 1pyg h VAL 379 Cb 1.34 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1pyg h VAL 379 CO 0.46 0.00 0.55 -0.76 0.02 0.00 0.00 177.57 177.85 1pyg s LEU 380 N -7.12 4.45 0.40 2.57 1.43 -1.26 -4.95 118.68 114.19 1pyg s LEU 380 Ca -0.09 2.21 0.21 0.00 -1.03 0.00 0.00 54.13 55.43 1pyg s LEU 380 Cb 0.01 -3.60 1.19 0.00 0.03 0.00 0.00 46.19 43.82 1pyg s LEU 380 CO 0.13 -0.37 1.70 1.55 0.23 0.00 0.00 176.35 179.59 1pyg h PRO 381 N 5.33 0.28 -0.77 1.29 0.13 -1.98 0.04 132.00 136.32 1pyg h PRO 381 Ca -0.44 -0.02 0.18 0.00 -0.87 0.00 0.00 66.00 64.85 1pyg h PRO 381 Cb 1.21 -0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.16 1pyg h PRO 381 CO 0.75 0.19 0.12 0.93 -0.23 0.00 0.00 178.00 179.76 1pyg h GLU 382 N 0.29 0.19 -0.15 0.86 3.07 -2.03 -1.93 114.58 114.87 1pyg h GLU 382 Ca 0.70 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 59.40 1pyg h GLU 382 Cb 1.87 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.73 1pyg h GLU 382 CO -0.41 0.12 -0.53 0.00 -1.40 0.00 0.00 179.01 176.79 1pyg h ALA 383 N 1.68 0.81 -2.04 3.43 0.00 -1.37 -3.47 119.26 118.30 1pyg h ALA 383 Ca 0.44 -0.50 -0.60 0.00 0.00 0.00 0.00 54.91 54.25 1pyg h ALA 383 Cb 0.79 -0.09 0.11 0.00 0.00 0.00 0.00 17.79 18.61 1pyg h ALA 383 CO -0.59 0.68 0.12 1.28 0.00 0.00 0.00 179.25 180.74 1pyg n LEU 384 N -3.95 1.86 -4.83 0.00 4.77 -0.73 -4.96 117.00 109.17 1pyg n LEU 384 Ca -0.03 1.15 -0.37 0.00 -0.03 0.00 0.00 56.01 56.73 1pyg n LEU 384 Cb 0.58 -1.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.32 1pyg n LEU 384 CO 0.45 -1.44 0.21 -0.70 -1.33 0.00 0.00 177.39 174.58 1pyg s GLU 385 N -1.62 4.05 -0.05 3.23 2.12 -1.26 -5.05 118.70 120.13 1pyg s GLU 385 Ca 0.59 0.57 -0.04 0.00 0.36 0.00 0.00 54.97 56.45 1pyg s GLU 385 Cb -0.68 -3.13 0.01 0.00 0.26 0.00 0.00 34.13 30.60 1pyg s GLU 385 CO 0.60 0.60 0.12 1.03 -0.54 0.00 0.00 175.26 177.07 1pyg s ARG 386 N -1.39 0.14 -0.07 4.30 0.52 -1.26 -2.85 118.95 118.34 1pyg s ARG 386 Ca 0.31 0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.75 1pyg s ARG 386 Cb -0.17 0.04 -0.01 0.00 0.52 0.00 0.00 34.95 35.32 1pyg s ARG 386 CO 0.18 -0.03 -0.20 -1.58 0.02 0.00 0.00 175.30 173.68 1pyg s TRP 387 N 0.19 2.57 -0.06 -0.53 0.52 -0.42 -4.90 118.94 116.30 1pyg s TRP 387 Ca -0.01 -0.60 -0.31 0.00 0.02 0.00 0.00 56.10 55.20 1pyg s TRP 387 Cb -0.02 -1.65 -0.09 0.00 -1.15 0.00 0.00 33.47 30.56 1pyg s TRP 387 CO -0.01 -0.14 2.01 -0.35 0.02 0.00 0.00 176.95 178.49 1pyg n PRO 388 N 2.94 2.48 -0.17 4.98 -0.04 -1.26 -0.79 135.00 143.14 1pyg n PRO 388 Ca -0.18 0.87 0.29 0.00 -0.04 0.00 0.00 63.50 64.45 1pyg n PRO 388 Cb 0.52 -2.95 0.69 0.00 -0.04 0.00 0.00 33.50 31.71 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 5.95 0.29 -0.72 0.52 -1.51 -1.26 -0.66 116.25 118.86 1pyg h VAL 389 Ca -0.47 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 64.97 1pyg h VAL 389 Cb 1.25 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.77 1pyg h VAL 389 CO 0.95 0.00 0.34 1.12 -1.23 0.00 0.00 177.57 178.75 1pyg h HIS 390 N 0.00 1.02 -0.35 5.19 2.07 -1.91 -0.69 115.15 120.49 1pyg h HIS 390 Ca 0.43 -0.04 -0.13 0.00 -2.85 0.00 0.00 60.37 57.77 1pyg h HIS 390 Cb 2.05 -0.32 -0.01 0.00 2.57 0.00 0.00 27.41 31.70 1pyg h HIS 390 CO 0.00 0.75 -0.31 1.25 -3.07 0.00 0.00 177.93 176.55 1pyg h LEU 391 N 1.02 0.87 -0.75 6.12 5.85 -1.50 -0.55 115.31 126.37 1pyg h LEU 391 Ca 0.25 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 1pyg h LEU 391 Cb 0.11 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1pyg h LEU 391 CO -0.03 1.15 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.98 1pyg h LEU 392 N 0.61 0.79 -0.50 2.25 3.38 -1.53 -0.87 115.31 119.44 1pyg h LEU 392 Ca 0.06 -0.26 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1pyg h LEU 392 Cb 0.88 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1pyg h LEU 392 CO 0.08 0.95 -0.17 -0.08 0.09 0.00 0.00 178.44 179.31 1pyg h GLU 393 N 0.70 1.01 -0.24 1.13 4.81 -0.73 0.48 114.58 121.73 1pyg h GLU 393 Ca 0.11 -0.41 -0.08 0.00 -0.13 0.00 0.00 59.36 58.85 1pyg h GLU 393 Cb 0.66 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1pyg h GLU 393 CO 0.05 1.09 -0.18 1.15 -0.73 0.00 0.00 179.01 180.38 1pyg h THR 394 N 0.87 1.31 0.14 0.32 2.02 -0.92 -3.16 112.91 113.49 1pyg h THR 394 Ca 0.12 -1.31 -0.33 0.00 0.77 0.00 0.00 66.41 65.66 1pyg h THR 394 Cb 0.74 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.79 1pyg h THR 394 CO 0.06 0.41 -1.68 0.25 0.37 0.00 0.00 175.52 174.92 1pyg h LEU 395 N 0.26 0.48 -5.98 2.58 5.85 -1.17 -3.39 115.31 113.94 1pyg h LEU 395 Ca 0.05 -0.73 -0.49 0.00 0.84 0.00 0.00 57.88 57.55 1pyg h LEU 395 Cb 0.72 -0.16 -0.39 0.00 0.37 0.00 0.00 40.66 41.20 1pyg h LEU 395 CO 0.05 1.62 -1.17 0.18 -0.34 0.00 0.00 178.44 178.77 1pyg n LEU 396 N -3.50 0.68 -0.17 2.25 4.77 0.16 -0.52 117.00 120.67 1pyg n LEU 396 Ca -0.22 -4.94 0.10 0.00 -0.03 0.00 0.00 56.01 50.93 1pyg n LEU 396 Cb 1.06 0.71 0.42 0.00 -2.33 0.00 0.00 43.42 43.28 1pyg n LEU 396 CO 0.50 2.26 1.21 1.55 -1.33 0.00 0.00 177.39 181.57 1pyg h PRO 397 N 3.14 0.58 0.00 3.23 0.13 -1.54 -0.35 132.00 137.19 1pyg h PRO 397 Ca 0.09 -0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.08 1pyg h PRO 397 Cb 0.96 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1pyg h PRO 397 CO 0.49 0.38 -0.50 -0.09 -0.23 0.00 0.00 178.00 178.05 1pyg h ARG 398 N 0.60 0.00 -0.03 0.86 1.12 -1.89 -2.58 114.38 112.45 1pyg h ARG 398 Ca 0.34 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 59.04 1pyg h ARG 398 Cb 0.51 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.48 1pyg h ARG 398 CO -0.12 0.50 -0.65 0.45 -3.11 0.00 0.00 179.97 177.05 1pyg h HIS 399 N 0.00 0.71 -0.53 2.20 3.86 -1.42 -2.38 115.15 117.59 1pyg h HIS 399 Ca -0.01 -0.37 -0.02 0.00 -1.16 0.00 0.00 60.37 58.82 1pyg h HIS 399 Cb 0.91 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 1pyg h HIS 399 CO 0.00 1.18 0.25 1.25 0.86 0.00 0.00 177.93 181.47 1pyg h LEU 400 N 0.04 0.66 0.07 2.43 5.85 -1.33 0.13 115.31 123.17 1pyg h LEU 400 Ca -0.07 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.61 1pyg h LEU 400 Cb 1.33 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 1pyg h LEU 400 CO 0.13 0.57 -0.20 1.56 -0.34 0.00 0.00 178.44 180.16 1pyg h GLN 401 N 0.74 -0.35 -0.25 1.25 4.20 -1.35 -0.64 115.11 118.71 1pyg h GLN 401 Ca 0.19 0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.87 1pyg h GLN 401 Cb 0.08 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 1pyg h GLN 401 CO -0.02 -0.23 -0.05 0.82 -0.67 0.00 0.00 178.83 178.67 1pyg h ILE 402 N -0.36 1.18 -0.53 2.54 2.04 -0.88 -1.11 117.51 120.39 1pyg h ILE 402 Ca 0.04 -0.75 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1pyg h ILE 402 Cb 0.40 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 1pyg h ILE 402 CO -0.14 0.25 -0.06 0.40 0.00 0.00 0.00 178.15 178.60 1pyg h ILE 403 N 0.37 1.26 0.00 -0.67 2.04 -0.40 -1.32 117.51 118.80 1pyg h ILE 403 Ca 0.08 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 1pyg h ILE 403 Cb 0.33 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1pyg h ILE 403 CO 0.01 0.42 -0.00 1.88 0.00 0.00 0.00 178.15 180.46 1pyg h TYR 404 N 0.86 -0.00 -0.24 1.37 0.05 -0.13 -2.04 116.97 116.83 1pyg h TYR 404 Ca 0.15 -0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1pyg h TYR 404 Cb 0.59 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1pyg h TYR 404 CO 0.04 0.25 -0.01 1.49 -1.05 0.00 0.00 178.16 178.88 1pyg h GLU 405 N -0.26 0.35 -0.27 4.88 4.57 -1.08 0.74 114.58 123.51 1pyg h GLU 405 Ca -0.00 -0.06 0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1pyg h GLU 405 Cb 0.26 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 1pyg h GLU 405 CO 0.00 0.39 0.09 0.82 -1.18 0.00 0.00 179.01 179.13 1pyg h ILE 406 N 0.34 0.92 -0.21 2.32 2.04 -1.17 -1.61 117.51 120.15 1pyg h ILE 406 Ca 0.08 -0.07 -0.16 0.00 1.00 0.00 0.00 64.86 65.71 1pyg h ILE 406 Cb 0.24 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1pyg h ILE 406 CO 0.01 0.04 -0.52 -1.13 0.00 0.00 0.00 178.15 176.55 1pyg h ASN 407 N 0.21 0.67 0.34 1.72 -0.00 -0.45 -0.06 115.58 118.00 1pyg h ASN 407 Ca 0.12 -0.35 -0.02 0.00 -0.00 0.00 0.00 56.30 56.06 1pyg h ASN 407 Cb 0.09 -0.19 0.00 0.00 -0.00 0.00 0.00 38.32 38.22 1pyg h ASN 407 CO -0.13 1.07 -0.17 -0.61 -0.00 0.00 0.00 177.43 177.59 1pyg h GLN 408 N 0.48 -0.45 -0.10 6.67 4.15 -0.68 -0.20 115.11 124.98 1pyg h GLN 408 Ca 0.02 0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.38 1pyg h GLN 408 Cb 1.07 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 1pyg h GLN 408 CO 0.10 -0.30 -0.33 0.00 -1.93 0.00 0.00 178.83 176.38 1pyg h ARG 409 N -0.46 0.19 0.49 1.69 3.08 -1.24 -2.04 114.38 116.09 1pyg h ARG 409 Ca -0.04 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1pyg h ARG 409 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1pyg h ARG 409 CO 0.07 0.50 -0.24 0.35 -1.07 0.00 0.00 179.97 179.58 1pyg h PHE 410 N 0.17 -0.62 -0.62 3.04 3.57 -0.21 -1.34 116.94 120.92 1pyg h PHE 410 Ca 0.02 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1pyg h PHE 410 Cb 0.66 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1pyg h PHE 410 CO 0.01 -0.30 0.41 -0.07 -2.23 0.00 0.00 178.31 176.13 1pyg h LEU 411 N -0.89 0.58 -1.07 0.59 4.07 -0.98 0.35 115.31 117.96 1pyg h LEU 411 Ca -0.07 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 1pyg h LEU 411 Cb 0.59 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 1pyg h LEU 411 CO 0.11 0.39 0.34 0.78 -1.08 0.00 0.00 178.44 178.98 1pyg h ASN 412 N 0.67 0.90 -0.17 -0.43 -0.26 -1.17 0.11 115.58 115.23 1pyg h ASN 412 Ca 0.26 -0.10 -0.03 0.00 -0.56 0.00 0.00 56.30 55.87 1pyg h ASN 412 Cb 0.19 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 1pyg h ASN 412 CO -0.08 0.76 -0.02 -0.09 -1.06 0.00 0.00 177.43 176.94 1pyg h ARG 413 N 0.99 0.31 -0.08 0.81 2.43 0.74 -2.35 114.38 117.22 1pyg h ARG 413 Ca 0.24 -0.11 -0.11 0.00 -0.81 0.00 0.00 59.98 59.20 1pyg h ARG 413 Cb 0.10 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1pyg h ARG 413 CO -0.03 0.56 -0.43 -0.39 -1.51 0.00 0.00 179.97 178.17 1pyg h VAL 414 N 0.03 1.32 -0.82 0.20 -1.51 -0.28 -2.26 116.25 112.92 1pyg h VAL 414 Ca 0.04 -1.54 0.04 0.00 -1.23 0.00 0.00 66.70 64.01 1pyg h VAL 414 Cb 0.43 1.73 -0.05 0.00 -2.13 0.00 0.00 31.29 31.26 1pyg h VAL 414 CO 0.01 0.46 0.52 0.00 -1.23 0.00 0.00 177.57 177.33 1pyg h ALA 415 N 1.40 1.10 -0.05 5.19 0.00 -0.69 -0.18 119.26 126.03 1pyg h ALA 415 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pyg h ALA 415 Cb 0.82 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pyg h ALA 415 CO 0.06 0.31 0.02 0.00 0.00 0.00 0.00 179.25 179.65 1pyg h ALA 416 N 1.36 0.06 0.00 0.00 0.00 -0.85 -3.02 119.26 116.81 1pyg h ALA 416 Ca 0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1pyg h ALA 416 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1pyg h ALA 416 CO -0.14 -0.39 -0.26 0.00 0.00 0.00 0.00 179.25 178.47 1pyg h ALA 417 N 0.91 1.27 -2.09 0.00 0.00 -1.17 -3.31 119.26 114.87 1pyg h ALA 417 Ca 0.02 -0.23 -0.58 0.00 0.00 0.00 0.00 54.91 54.11 1pyg h ALA 417 Cb 0.11 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.45 1pyg h ALA 417 CO -0.00 0.32 -0.88 1.19 0.00 0.00 0.00 179.25 179.88 1pyg n PHE 418 N -3.79 1.46 -1.64 0.00 3.72 -0.14 -5.11 117.46 111.97 1pyg n PHE 418 Ca -0.01 -3.83 -0.46 0.00 -0.05 0.00 0.00 57.45 53.09 1pyg n PHE 418 Cb 0.36 -0.44 -0.03 0.00 -0.94 0.00 0.00 39.48 38.42 1pyg n PHE 418 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1pyg n PRO 419 N 1.13 1.73 0.00 -1.08 -0.02 -1.16 -1.91 135.00 133.69 1pyg n PRO 419 Ca 0.25 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1pyg n PRO 419 Cb 0.48 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1pyg n PRO 419 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pyg n GLY 420 N 2.23 1.68 3.56 -1.23 0.00 -1.26 -4.91 105.19 105.26 1pyg n GLY 420 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.00 5.87 0.02 1.61 -1.08 -0.80 -4.81 116.67 114.47 1pyg s ASP 421 Ca 0.00 -0.97 0.03 0.00 -0.52 0.00 0.00 52.55 51.08 1pyg s ASP 421 Cb 0.00 -2.56 -0.25 0.00 -1.46 0.00 0.00 42.92 38.65 1pyg s ASP 421 CO 0.00 -2.07 0.90 0.58 0.52 0.00 0.00 175.17 175.10 1pyg h VAL 422 N 6.93 1.21 0.00 1.11 2.07 -1.91 -3.13 116.25 122.53 1pyg h VAL 422 Ca 0.10 -2.91 -0.01 0.00 0.82 0.00 0.00 66.70 64.70 1pyg h VAL 422 Cb 1.02 2.70 -0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1pyg h VAL 422 CO 1.32 0.79 -0.05 -0.78 0.02 0.00 0.00 177.57 178.87 1pyg h ASP 423 N 0.04 0.00 0.27 0.57 3.58 -1.99 0.54 116.42 119.43 1pyg h ASP 423 Ca -0.20 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.24 1pyg h ASP 423 Cb 1.96 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.01 1pyg h ASP 423 CO 0.14 0.05 -0.13 -0.09 -2.88 0.00 0.00 179.24 176.32 1pyg h ARG 424 N 0.00 -0.35 -1.02 0.28 2.43 -1.96 -0.54 114.38 113.22 1pyg h ARG 424 Ca -0.00 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.49 1pyg h ARG 424 Cb 0.18 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.77 1pyg h ARG 424 CO 0.01 -0.03 0.73 -0.07 -1.51 0.00 0.00 179.97 179.10 1pyg h LEU 425 N -0.72 0.01 -0.15 3.80 3.38 -0.88 0.37 115.31 121.13 1pyg h LEU 425 Ca -0.04 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.70 1pyg h LEU 425 Cb 0.49 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1pyg h LEU 425 CO 0.06 0.00 -0.94 -0.09 0.09 0.00 0.00 178.44 177.57 1pyg h ARG 426 N 0.01 0.52 0.00 1.13 2.43 -0.97 -3.09 114.38 114.41 1pyg h ARG 426 Ca 0.48 -0.53 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1pyg h ARG 426 Cb 1.93 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.62 1pyg h ARG 426 CO -0.01 1.16 -0.98 0.54 -1.51 0.00 0.00 179.97 179.17 1pyg n ARG 427 N -3.80 0.26 -0.09 0.20 1.74 -0.12 -3.90 116.66 110.96 1pyg n ARG 427 Ca -0.08 -0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.12 1pyg n ARG 427 Cb 0.83 -1.58 0.17 0.00 -1.02 0.00 0.00 32.46 30.86 1pyg n ARG 427 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1pyg n MET 428 N -1.91 2.38 -1.23 5.56 2.81 -0.07 -4.96 117.12 119.70 1pyg n MET 428 Ca 0.02 -2.05 -0.32 0.00 -1.81 0.00 0.00 57.70 53.55 1pyg n MET 428 Cb 0.42 -1.49 0.10 0.00 -0.71 0.00 0.00 33.22 31.55 1pyg n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pyg s SER 429 N -1.76 4.15 0.07 7.83 0.15 -1.17 -4.93 113.70 118.05 1pyg s SER 429 Ca 0.33 2.03 0.17 0.00 0.70 0.00 0.00 55.95 59.19 1pyg s SER 429 Cb 0.21 -2.55 -0.13 0.00 -1.71 0.00 0.00 66.02 61.84 1pyg s SER 429 CO 0.31 -2.28 0.82 0.18 1.20 0.00 0.00 173.24 173.48 1pyg n LEU 430 N -3.39 0.83 -4.53 3.45 4.32 -1.26 -4.80 117.00 111.63 1pyg n LEU 430 Ca 0.11 0.36 -0.41 0.00 -0.02 0.00 0.00 56.01 56.05 1pyg n LEU 430 Cb 0.52 0.07 -0.10 0.00 -1.62 0.00 0.00 43.42 42.29 1pyg n LEU 430 CO 0.50 0.12 -0.04 -0.69 -1.22 0.00 0.00 177.39 176.07 1pyg s VAL 431 N -2.96 5.22 0.51 4.08 1.01 -1.26 -0.91 120.40 126.09 1pyg s VAL 431 Ca -0.03 -0.15 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1pyg s VAL 431 Cb 0.09 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1pyg s VAL 431 CO 0.81 -0.09 0.82 -1.61 0.00 0.00 0.00 175.10 175.03 1pyg s GLU 432 N 1.87 3.43 -0.12 2.72 2.02 0.26 -4.89 118.70 123.98 1pyg s GLU 432 Ca 0.09 0.20 -0.25 0.00 0.02 0.00 0.00 54.97 55.03 1pyg s GLU 432 Cb -0.17 -2.34 0.06 0.00 0.10 0.00 0.00 34.13 31.78 1pyg s GLU 432 CO 0.11 -0.32 0.60 -2.00 0.02 0.00 0.00 175.26 173.67 1pyg s GLU 433 N -4.81 0.86 0.00 1.61 -6.30 -1.26 -0.40 118.70 108.40 1pyg s GLU 433 Ca 0.49 0.45 0.00 0.00 -2.50 0.00 0.00 54.97 53.41 1pyg s GLU 433 Cb -0.10 0.41 0.00 0.00 0.00 0.00 0.00 34.13 34.43 1pyg s GLU 433 CO 0.46 -0.21 0.00 0.41 0.02 0.00 0.00 175.26 175.94 1pyg n GLY 434 N 1.73 0.57 4.99 -1.50 0.00 -1.26 -4.96 105.19 104.76 1pyg n GLY 434 Ca -0.17 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.00 -3.86 4.61 0.00 -1.26 -4.73 120.51 115.27 1pyg n ALA 435 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1pyg n ALA 435 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1pyg n ALA 435 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1pyg s VAL 436 N 0.00 1.20 -0.06 0.00 -7.23 -1.26 -5.10 120.40 107.95 1pyg s VAL 436 Ca 0.00 -0.41 -0.26 0.00 -1.81 0.00 0.00 61.98 59.49 1pyg s VAL 436 Cb 0.00 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.74 1pyg s VAL 436 CO 0.00 0.39 0.83 -0.75 -0.31 0.00 0.00 175.10 175.26 1pyg s LYS 437 N 1.49 4.46 0.13 4.82 2.20 -1.26 -4.38 119.74 127.20 1pyg s LYS 437 Ca 0.02 1.11 0.06 0.00 -0.36 0.00 0.00 55.97 56.80 1pyg s LYS 437 Cb -0.13 -3.47 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1pyg s LYS 437 CO -0.07 -0.04 -0.14 1.03 -0.36 0.00 0.00 175.35 175.77 1pyg s ARG 438 N 1.09 1.04 -0.16 4.03 0.52 0.47 -0.75 118.95 125.19 1pyg s ARG 438 Ca 0.43 -1.26 -0.07 0.00 -0.52 0.00 0.00 55.73 54.31 1pyg s ARG 438 Cb -0.19 -0.90 -0.04 0.00 0.52 0.00 0.00 34.95 34.34 1pyg s ARG 438 CO 0.21 0.17 0.08 0.42 0.02 0.00 0.00 175.30 176.20 1pyg s ILE 439 N -2.22 5.00 -0.60 1.52 -1.09 0.03 0.89 121.20 124.71 1pyg s ILE 439 Ca 0.10 0.03 -0.14 0.00 -2.23 0.00 0.00 60.65 58.41 1pyg s ILE 439 Cb -0.04 -3.22 0.15 0.00 -1.58 0.00 0.00 42.46 37.77 1pyg s ILE 439 CO 0.03 0.52 0.54 0.21 -1.23 0.00 0.00 174.94 175.01 1pyg s ASN 440 N -0.16 6.23 0.54 3.58 3.84 -0.09 -1.31 114.94 127.58 1pyg s ASN 440 Ca 0.08 -2.07 0.21 0.00 0.21 0.00 0.00 52.86 51.30 1pyg s ASN 440 Cb -0.12 -2.17 1.39 0.00 -0.55 0.00 0.00 41.25 39.80 1pyg s ASN 440 CO 0.01 -0.75 2.11 0.24 -2.79 0.00 0.00 177.10 175.92 1pyg h MET 441 N 8.49 0.00 -0.58 0.43 2.86 -1.83 -0.01 114.93 124.29 1pyg h MET 441 Ca -0.18 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1pyg h MET 441 Cb 1.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1pyg h MET 441 CO 0.93 0.00 0.04 0.00 1.06 0.00 0.00 176.91 178.95 1pyg h ALA 442 N 1.91 0.98 -0.44 6.32 0.00 -1.93 -0.20 119.26 125.89 1pyg h ALA 442 Ca 0.07 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1pyg h ALA 442 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1pyg h ALA 442 CO -0.00 0.63 -0.02 0.45 0.00 0.00 0.00 179.25 180.31 1pyg h HIS 443 N 0.90 0.87 -0.31 0.00 3.86 -1.35 0.11 115.15 119.22 1pyg h HIS 443 Ca 0.17 -0.16 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1pyg h HIS 443 Cb 0.47 -0.22 -0.06 0.00 1.06 0.00 0.00 27.41 28.65 1pyg h HIS 443 CO 0.03 0.86 -0.07 1.25 0.86 0.00 0.00 177.93 180.86 1pyg h LEU 444 N 0.63 -0.27 -1.01 2.43 5.85 -1.37 0.12 115.31 121.68 1pyg h LEU 444 Ca 0.12 0.09 0.13 0.00 0.84 0.00 0.00 57.88 59.06 1pyg h LEU 444 Cb 0.53 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 1pyg h LEU 444 CO 0.03 -0.10 0.63 0.00 -0.34 0.00 0.00 178.44 178.66 1pyg h ILE 446 N 0.97 1.38 -0.01 0.00 2.04 0.07 -2.38 117.51 119.59 1pyg h ILE 446 Ca 0.50 -2.82 -0.00 0.00 1.00 0.00 0.00 64.86 63.54 1pyg h ILE 446 Cb 0.53 2.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 1pyg h ILE 446 CO -0.27 0.84 0.00 0.00 0.00 0.00 0.00 178.15 178.72 1pyg h ALA 447 N 0.37 0.01 -0.03 1.87 0.00 -0.50 -3.17 119.26 117.82 1pyg h ALA 447 Ca -0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pyg h ALA 447 Cb 2.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1pyg h ALA 447 CO 0.24 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1pyg n GLY 448 N -0.85 -0.48 3.52 0.00 0.00 0.10 -4.86 105.19 102.62 1pyg n GLY 448 Ca -0.07 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.90 4.51 0.00 1.61 0.01 -0.90 -3.70 113.70 113.34 1pyg s SER 449 Ca 0.40 -0.11 0.24 0.00 1.31 0.00 0.00 55.95 57.78 1pyg s SER 449 Cb 0.20 -1.35 1.42 0.00 0.21 0.00 0.00 66.02 66.50 1pyg s SER 449 CO 0.33 0.28 1.79 0.00 0.41 0.00 0.00 173.24 176.05 1pyg n HIS 450 N 2.74 0.00 -3.69 2.43 1.44 -0.19 -4.80 115.22 113.16 1pyg n HIS 450 Ca -0.18 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.41 1pyg n HIS 450 Cb 0.53 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.55 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 -2.00 -1.34 -0.00 1.59 0.00 -1.26 -4.74 121.76 114.01 1pyg s ALA 451 Ca 0.36 1.61 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1pyg s ALA 451 Cb 0.16 -0.94 -0.00 0.00 0.00 0.00 0.00 23.12 22.34 1pyg s ALA 451 CO 0.27 -0.27 -0.02 0.54 0.00 0.00 0.00 175.76 176.29 1pyg s VAL 452 N 0.57 0.12 0.01 0.00 0.11 0.12 -1.64 120.40 119.70 1pyg s VAL 452 Ca -0.02 -0.08 -0.13 0.00 -2.93 0.00 0.00 61.98 58.82 1pyg s VAL 452 Cb -0.05 -0.11 0.02 0.00 -1.53 0.00 0.00 36.38 34.71 1pyg s VAL 452 CO -0.03 0.03 0.27 0.54 -3.33 0.00 0.00 175.10 172.58 1pyg s ASN 453 N -0.05 -0.11 0.36 3.54 4.22 -0.99 -1.46 114.94 120.46 1pyg s ASN 453 Ca 0.00 -0.10 0.05 0.00 -2.14 0.00 0.00 52.86 50.67 1pyg s ASN 453 Cb -0.01 0.31 -0.01 0.00 1.28 0.00 0.00 41.25 42.83 1pyg s ASN 453 CO -0.00 -0.51 0.52 -0.83 -2.04 0.00 0.00 177.10 174.24 1pyg s GLY 454 N -1.68 1.61 -0.08 0.45 0.00 -0.87 -0.70 107.32 106.05 1pyg s GLY 454 Ca -0.10 -1.39 0.13 0.00 0.00 0.00 0.00 44.72 43.36 1pyg s GLY 454 CO 0.00 -1.28 1.38 3.33 0.00 0.00 0.00 173.10 176.54 1pyg n VAL 455 N -1.75 1.31 -3.64 1.40 0.24 -1.23 -0.91 118.33 113.75 1pyg n VAL 455 Ca 0.01 -0.84 -0.04 0.00 -2.04 0.00 0.00 64.34 61.43 1pyg n VAL 455 Cb 0.58 0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.91 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 -1.76 -2.13 0.10 2.33 0.00 -1.25 -1.08 121.76 117.97 1pyg s ALA 456 Ca 0.37 1.77 -0.23 0.00 0.00 0.00 0.00 51.96 53.87 1pyg s ALA 456 Cb 0.24 -1.55 -0.07 0.00 0.00 0.00 0.00 23.12 21.74 1pyg s ALA 456 CO 0.18 -0.19 1.39 -0.09 0.00 0.00 0.00 175.76 177.05 1pyg h ARG 457 N 2.74 -0.19 -0.04 0.00 2.43 -1.92 0.30 114.38 117.70 1pyg h ARG 457 Ca -0.19 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1pyg h ARG 457 Cb 1.19 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.74 1pyg h ARG 457 CO 0.20 -0.13 -0.21 0.82 -1.51 0.00 0.00 179.97 179.15 1pyg h ILE 458 N -0.20 0.50 -0.59 1.20 1.08 -1.94 -0.20 117.51 117.37 1pyg h ILE 458 Ca 0.07 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.66 1pyg h ILE 458 Cb 0.38 0.50 -0.11 0.00 -3.07 0.00 0.00 36.82 34.52 1pyg h ILE 458 CO -0.50 0.00 -0.20 -0.74 -0.69 0.00 0.00 178.15 176.02 1pyg h HIS 459 N -0.31 -0.46 -0.22 1.37 2.76 -1.81 0.24 115.15 116.72 1pyg h HIS 459 Ca 0.07 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.29 1pyg h HIS 459 Cb 0.41 0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 1pyg h HIS 459 CO -0.27 -0.29 0.09 0.77 -1.30 0.00 0.00 177.93 176.92 1pyg h SER 460 N -0.05 0.30 -0.15 3.26 0.02 -0.25 -0.90 113.55 115.79 1pyg h SER 460 Ca 0.27 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1pyg h SER 460 Cb 0.48 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1pyg h SER 460 CO -0.63 0.39 0.06 -0.33 -1.14 0.00 0.00 176.83 175.18 1pyg h GLU 461 N 0.20 0.28 -0.11 3.45 4.39 0.25 0.74 114.58 123.78 1pyg h GLU 461 Ca 0.07 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1pyg h GLU 461 Cb 0.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1pyg h GLU 461 CO -0.01 0.26 -0.35 0.82 -1.16 0.00 0.00 179.01 178.58 1pyg h ILE 462 N 0.29 1.28 -0.19 3.13 2.04 -0.10 0.14 117.51 124.09 1pyg h ILE 462 Ca 0.07 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1pyg h ILE 462 Cb 0.10 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1pyg h ILE 462 CO -0.00 0.41 0.08 -0.07 0.00 0.00 0.00 178.15 178.56 1pyg h LEU 463 N 0.20 0.26 -0.79 1.44 3.38 0.55 0.13 115.31 120.48 1pyg h LEU 463 Ca 0.02 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1pyg h LEU 463 Cb 0.72 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1pyg h LEU 463 CO 0.05 0.35 -0.00 0.11 0.09 0.00 0.00 178.44 179.04 1pyg h LYS 464 N 0.16 0.92 0.00 1.13 1.57 -1.08 -0.72 116.57 118.55 1pyg h LYS 464 Ca 0.06 -0.27 -0.21 0.00 -1.87 0.00 0.00 60.65 58.36 1pyg h LYS 464 Cb 0.17 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1pyg h LYS 464 CO -0.01 0.91 -1.03 0.87 -0.57 0.00 0.00 179.45 179.62 1pyg h LYS 465 N 0.85 0.00 0.00 3.15 1.79 -0.53 -3.32 116.57 118.51 1pyg h LYS 465 Ca 0.16 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1pyg h LYS 465 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1pyg h LYS 465 CO 0.02 0.98 0.00 0.25 -1.08 0.00 0.00 179.45 179.62 1pyg n THR 466 N -3.34 0.00 -0.19 -0.16 -2.24 0.42 -4.71 114.28 104.06 1pyg n THR 466 Ca -0.01 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.76 1pyg n THR 466 Cb 0.95 -0.16 0.06 0.00 -2.10 0.00 0.00 70.33 69.07 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 0.47 -0.90 2.28 2.04 -1.61 -2.63 117.51 117.16 1pyg h ILE 467 Ca 0.00 -0.01 -0.54 0.00 1.00 0.00 0.00 64.86 65.31 1pyg h ILE 467 Cb 0.00 0.43 -0.43 0.00 -0.74 0.00 0.00 36.82 36.08 1pyg h ILE 467 CO 0.00 0.01 -0.83 0.49 0.00 0.00 0.00 178.15 177.82 1pyg n PHE 468 N -5.35 2.77 -0.09 1.37 3.72 -0.29 -4.83 117.46 114.76 1pyg n PHE 468 Ca 0.07 -2.42 -0.06 0.00 -0.05 0.00 0.00 57.45 54.98 1pyg n PHE 468 Cb 0.31 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 38.58 1pyg n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1pyg h LYS 469 N 2.31 0.18 -0.25 -1.08 3.64 -1.45 0.31 116.57 120.23 1pyg h LYS 469 Ca 0.31 -0.01 -0.18 0.00 -1.27 0.00 0.00 60.65 59.51 1pyg h LYS 469 Cb 1.38 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1pyg h LYS 469 CO 0.74 0.12 -0.55 -0.44 -2.27 0.00 0.00 179.45 177.05 1pyg h ASP 470 N 0.19 0.83 -0.91 4.20 5.19 -1.86 0.23 116.42 124.28 1pyg h ASP 470 Ca 0.15 -0.45 -0.01 0.00 -0.62 0.00 0.00 57.03 56.10 1pyg h ASP 470 Cb 0.16 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.39 1pyg h ASP 470 CO -0.20 1.21 0.52 -0.26 -3.12 0.00 0.00 179.24 177.40 1pyg h PHE 471 N 0.58 1.23 -0.19 4.55 0.04 -1.84 -0.35 116.94 120.96 1pyg h PHE 471 Ca 0.01 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.58 1pyg h PHE 471 Cb 1.13 -0.40 -0.00 0.00 2.20 0.00 0.00 35.95 38.88 1pyg h PHE 471 CO 0.06 0.84 -0.63 -0.92 -0.60 0.00 0.00 178.31 177.06 1pyg h TYR 472 N 1.27 0.86 -0.42 -0.55 3.20 -0.71 -0.67 116.97 119.94 1pyg h TYR 472 Ca 0.32 -0.33 0.06 0.00 3.14 0.00 0.00 58.73 61.92 1pyg h TYR 472 Cb -0.01 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.06 1pyg h TYR 472 CO 0.01 1.12 0.13 1.49 -1.64 0.00 0.00 178.16 179.26 1pyg h GLU 473 N 0.49 0.28 0.35 1.82 4.81 0.65 -0.82 114.58 122.16 1pyg h GLU 473 Ca -0.01 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1pyg h GLU 473 Cb 1.21 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1pyg h GLU 473 CO 0.12 0.18 -0.17 1.25 -0.73 0.00 0.00 179.01 179.67 1pyg h LEU 474 N 0.28 -0.39 -3.96 1.64 5.85 -1.11 -3.39 115.31 114.23 1pyg h LEU 474 Ca 0.20 -0.09 -0.63 0.00 0.84 0.00 0.00 57.88 58.21 1pyg h LEU 474 Cb 0.21 0.10 -0.30 0.00 0.37 0.00 0.00 40.66 41.04 1pyg h LEU 474 CO -0.22 0.06 0.68 -0.62 -0.34 0.00 0.00 178.44 177.99 1pyg n GLU 475 N -5.09 2.66 -0.61 1.25 1.02 -0.26 -4.95 120.64 114.66 1pyg n GLU 475 Ca -0.07 -3.31 0.48 0.00 -0.02 0.00 0.00 57.16 54.23 1pyg n GLU 475 Cb 0.23 -2.26 0.77 0.00 -0.02 0.00 0.00 31.44 30.17 1pyg n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1pyg h PRO 476 N 1.81 0.01 0.00 3.49 0.13 -1.35 -1.33 132.00 134.75 1pyg h PRO 476 Ca 0.58 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.71 1pyg h PRO 476 Cb 1.25 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pyg h PRO 476 CO 1.41 0.01 0.00 -2.39 -0.23 0.00 0.00 178.00 176.80 1pyg n HIS 477 N -4.23 0.00 0.14 1.56 1.44 -1.26 -2.88 115.22 109.99 1pyg n HIS 477 Ca 0.42 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.18 1pyg n HIS 477 Cb 1.82 -0.12 0.04 0.00 0.12 0.00 0.00 29.99 31.85 1pyg n HIS 477 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 1pyg h LYS 478 N 0.00 0.00 -5.92 -1.40 1.57 -1.53 -3.47 116.57 105.83 1pyg h LYS 478 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 1pyg h LYS 478 Cb 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 1pyg h LYS 478 CO 0.00 0.35 0.13 -0.06 -0.57 0.00 0.00 179.45 179.30 1pyg s PHE 479 N -3.03 3.50 0.18 -1.35 0.40 -1.14 0.13 117.98 116.67 1pyg s PHE 479 Ca 0.04 1.16 -0.01 0.00 -0.60 0.00 0.00 56.93 57.51 1pyg s PHE 479 Cb 0.07 -2.82 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 1pyg s PHE 479 CO 0.74 -0.02 0.11 -0.65 0.70 0.00 0.00 175.22 176.09 1pyg s GLN 480 N 1.27 1.12 0.10 0.44 -0.21 -0.54 -4.95 119.66 116.90 1pyg s GLN 480 Ca 0.35 -1.58 0.09 0.00 0.02 0.00 0.00 55.36 54.24 1pyg s GLN 480 Cb -0.17 0.24 -0.04 0.00 1.00 0.00 0.00 33.01 34.05 1pyg s GLN 480 CO 0.15 -0.35 -0.23 1.21 -2.12 0.00 0.00 175.29 173.95 1pyg s ASN 481 N -3.13 2.78 -0.31 5.90 2.47 -1.26 -2.06 114.94 119.32 1pyg s ASN 481 Ca 0.34 -0.69 0.00 0.00 0.42 0.00 0.00 52.86 52.94 1pyg s ASN 481 Cb 0.07 -0.17 0.14 0.00 -1.45 0.00 0.00 41.25 39.84 1pyg s ASN 481 CO 0.09 0.11 0.31 -0.54 -3.72 0.00 0.00 177.10 173.35 1pyg s LYS 482 N -1.86 0.40 0.21 0.43 -0.14 -0.09 -4.86 119.74 113.84 1pyg s LYS 482 Ca 0.09 -0.34 -0.31 0.00 -1.36 0.00 0.00 55.97 54.05 1pyg s LYS 482 Cb -0.10 -0.69 -0.10 0.00 -1.68 0.00 0.00 37.83 35.26 1pyg s LYS 482 CO 0.04 -1.07 1.55 0.99 -0.76 0.00 0.00 175.35 176.10 1pyg s THR 483 N 2.11 2.49 1.19 2.17 2.01 -1.26 -3.88 115.64 120.46 1pyg s THR 483 Ca 0.11 0.37 -0.17 0.00 0.31 0.00 0.00 61.69 62.32 1pyg s THR 483 Cb -0.14 -3.24 0.22 0.00 0.01 0.00 0.00 72.50 69.34 1pyg s THR 483 CO -0.25 0.04 0.46 0.59 -0.69 0.00 0.00 174.62 174.77 1pyg n ASN 484 N 3.27 -2.63 -3.62 3.53 5.03 -0.24 -4.59 115.26 116.01 1pyg n ASN 484 Ca 0.11 -0.31 -0.01 0.00 0.87 0.00 0.00 54.58 55.24 1pyg n ASN 484 Cb 0.38 -1.01 -0.01 0.00 -1.02 0.00 0.00 39.78 38.12 1pyg n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1pyg s GLY 485 N -2.20 -0.37 0.35 7.41 0.00 -1.26 -4.87 107.32 106.39 1pyg s GLY 485 Ca 0.58 0.98 0.09 0.00 0.00 0.00 0.00 44.72 46.37 1pyg s GLY 485 CO 0.60 0.26 0.05 -0.26 0.00 0.00 0.00 173.10 173.75 1pyg s ILE 486 N -2.47 2.59 -0.07 0.90 -5.25 0.35 -4.43 121.20 112.83 1pyg s ILE 486 Ca 0.12 -1.90 -0.22 0.00 -0.99 0.00 0.00 60.65 57.66 1pyg s ILE 486 Cb 0.03 -2.86 -0.04 0.00 2.95 0.00 0.00 42.46 42.54 1pyg s ILE 486 CO -0.04 -0.16 0.66 0.28 -1.79 0.00 0.00 174.94 173.89 1pyg s THR 487 N -2.53 5.06 0.46 8.37 -1.32 -1.26 0.10 115.64 124.51 1pyg s THR 487 Ca 0.36 1.36 0.40 0.00 -1.21 0.00 0.00 61.69 62.60 1pyg s THR 487 Cb 0.01 -4.00 0.43 0.00 -1.51 0.00 0.00 72.50 67.42 1pyg s THR 487 CO 0.20 0.27 2.23 1.55 -2.21 0.00 0.00 174.62 176.66 1pyg h PRO 488 N 6.67 0.00 0.00 7.08 0.13 -1.92 -2.64 132.00 141.32 1pyg h PRO 488 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1pyg h PRO 488 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1pyg h PRO 488 CO 0.75 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.47 1pyg h ARG 489 N 0.00 0.00 -0.39 0.86 3.08 -1.92 -2.84 114.38 113.17 1pyg h ARG 489 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 1pyg h ARG 489 Cb 0.19 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.18 1pyg h ARG 489 CO 0.00 0.00 -0.03 -0.09 -1.07 0.00 0.00 179.97 178.78 1pyg h ARG 490 N -0.42 0.06 -0.00 0.04 2.43 -1.96 0.11 114.38 114.64 1pyg h ARG 490 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pyg h ARG 490 Cb 0.05 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1pyg h ARG 490 CO 0.00 0.04 -0.08 0.91 -1.51 0.00 0.00 179.97 179.34 1pyg n TRP 491 N -5.23 0.00 0.02 2.20 7.02 -1.00 -1.50 117.44 118.96 1pyg n TRP 491 Ca 0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.50 1pyg n TRP 491 Cb 0.21 -0.22 0.00 0.00 -2.42 0.00 0.00 31.31 28.88 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 -1.08 0.16 -0.01 -0.99 7.94 -1.08 -4.77 117.00 117.16 1pyg n LEU 492 Ca 0.14 0.07 -0.00 0.00 -1.11 0.00 0.00 56.01 55.11 1pyg n LEU 492 Cb 0.26 -0.01 0.29 0.00 0.53 0.00 0.00 43.42 44.49 1pyg n LEU 492 CO 0.24 -0.57 0.94 -0.37 -1.11 0.00 0.00 177.39 176.52 1pyg h VAL 493 N 0.00 1.20 0.00 1.96 -1.51 -1.06 0.62 116.25 117.45 1pyg h VAL 493 Ca 0.00 -0.78 -0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1pyg h VAL 493 Cb 0.00 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.09 1pyg h VAL 493 CO 0.00 0.27 -0.00 0.25 -1.23 0.00 0.00 177.57 176.86 1pyg h LEU 494 N 0.52 -0.00 -0.04 4.19 6.46 -0.88 -3.30 115.31 122.25 1pyg h LEU 494 Ca 0.11 -0.56 0.00 0.00 -0.12 0.00 0.00 57.88 57.32 1pyg h LEU 494 Cb 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1pyg h LEU 494 CO 0.01 0.77 -0.09 0.00 -0.62 0.00 0.00 178.44 178.51 1pyg n ASN 496 N -1.35 -0.50 -0.18 0.00 4.05 0.21 -4.83 115.26 112.66 1pyg n ASN 496 Ca 0.10 -2.75 0.04 0.00 0.45 0.00 0.00 54.58 52.42 1pyg n ASN 496 Cb 0.30 -0.18 0.32 0.00 1.23 0.00 0.00 39.78 41.46 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 4.24 0.81 -0.42 1.20 0.13 -1.74 -2.13 132.00 134.09 1pyg h PRO 497 Ca 0.06 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.12 1pyg h PRO 497 Cb 0.91 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 31.84 1pyg h PRO 497 CO 0.42 0.53 0.18 0.78 -0.23 0.00 0.00 178.00 179.68 1pyg h GLY 498 N 0.83 0.66 1.03 1.56 0.00 -1.93 -0.80 103.07 104.43 1pyg h GLY 498 Ca 0.29 -0.35 -0.16 0.00 0.00 0.00 0.00 47.33 47.11 1pyg h GLY 498 CO -0.09 0.33 -0.46 -2.00 0.00 0.00 0.00 176.54 174.32 1pyg h LEU 499 N 0.53 0.83 -1.86 3.11 6.46 -1.76 -2.36 115.31 120.26 1pyg h LEU 499 Ca 0.14 -0.54 -0.01 0.00 -0.12 0.00 0.00 57.88 57.35 1pyg h LEU 499 Cb 0.17 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 39.86 1pyg h LEU 499 CO -0.01 1.21 -0.03 0.00 -0.62 0.00 0.00 178.44 178.98 1pyg h ALA 500 N 0.64 1.89 -0.10 1.25 0.00 -1.38 -2.00 119.26 119.56 1pyg h ALA 500 Ca 0.01 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1pyg h ALA 500 Cb 1.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1pyg h ALA 500 CO 0.10 0.09 -0.26 1.49 0.00 0.00 0.00 179.25 180.67 1pyg h GLU 501 N 0.04 0.34 -0.31 0.00 4.81 -0.81 0.86 114.58 119.51 1pyg h GLU 501 Ca 0.01 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 58.89 1pyg h GLU 501 Cb 0.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1pyg h GLU 501 CO 0.00 0.86 -0.25 -0.84 -0.73 0.00 0.00 179.01 178.06 1pyg h ILE 502 N -0.11 1.27 -0.20 2.32 3.07 -1.22 -2.30 117.51 120.35 1pyg h ILE 502 Ca -0.01 -1.32 -0.02 0.00 1.55 0.00 0.00 64.86 65.07 1pyg h ILE 502 Cb 0.87 1.30 -0.01 0.00 -0.27 0.00 0.00 36.82 38.71 1pyg h ILE 502 CO 0.06 0.43 0.05 0.40 -1.05 0.00 0.00 178.15 178.04 1pyg h ILE 503 N 0.54 1.20 -0.33 0.16 2.04 -1.34 -2.98 117.51 116.80 1pyg h ILE 503 Ca 0.08 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.24 1pyg h ILE 503 Cb 0.71 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 1pyg h ILE 503 CO 0.05 0.20 -0.06 0.00 0.00 0.00 0.00 178.15 178.35 1pyg h ALA 504 N 0.87 1.29 -0.04 1.87 0.00 -0.63 -1.22 119.26 121.40 1pyg h ALA 504 Ca 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.62 1pyg h ALA 504 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1pyg h ALA 504 CO -0.00 0.48 -0.48 1.05 0.00 0.00 0.00 179.25 180.30 1pyg h GLU 505 N 0.50 0.10 0.00 0.00 4.11 -1.37 0.54 114.58 118.46 1pyg h GLU 505 Ca 0.10 -0.06 -0.05 0.00 0.07 0.00 0.00 59.36 59.43 1pyg h GLU 505 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1pyg h GLU 505 CO 0.02 0.56 -0.19 0.00 0.07 0.00 0.00 179.01 179.48 1pyg h ARG 506 N 0.08 0.13 -0.14 1.06 3.08 -1.19 -3.38 114.38 114.03 1pyg h ARG 506 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1pyg h ARG 506 Cb 0.88 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1pyg h ARG 506 CO 0.07 0.89 0.00 0.44 -1.07 0.00 0.00 179.97 180.30 1pyg n ILE 507 N -4.56 0.63 -3.17 2.04 -5.35 -0.54 -5.12 119.36 103.30 1pyg n ILE 507 Ca -0.10 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.57 1pyg n ILE 507 Cb 0.48 0.74 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 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 0.22 -1.97 0.71 3.28 0.00 0.19 -4.67 105.19 102.95 1pyg n GLY 508 Ca 0.06 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 1.67 0.26 1.61 1.02 -1.26 -4.12 120.64 119.82 1pyg n GLU 509 Ca 0.00 -1.69 0.11 0.00 -0.02 0.00 0.00 57.16 55.56 1pyg n GLU 509 Cb 0.00 -1.32 0.72 0.00 -0.02 0.00 0.00 31.44 30.82 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 3.02 0.00 -0.97 3.49 5.08 -1.96 -2.85 114.58 120.39 1pyg h GLU 510 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 1pyg h GLU 510 Cb 0.71 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1pyg h GLU 510 CO 0.00 0.09 0.66 0.10 -1.00 0.00 0.00 179.01 178.86 1pyg h TYR 511 N 0.00 0.34 -0.20 4.33 -0.00 -1.81 -2.44 116.97 117.19 1pyg h TYR 511 Ca -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1pyg h TYR 511 Cb 0.20 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 36.82 1pyg h TYR 511 CO 0.00 0.06 0.13 0.82 -0.00 0.00 0.00 178.16 179.17 1pyg h ILE 512 N 0.23 1.04 -0.10 -0.90 2.04 -1.87 -0.36 117.51 117.60 1pyg h ILE 512 Ca 0.50 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 66.27 1pyg h ILE 512 Cb 1.56 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1pyg h ILE 512 CO -0.13 0.05 0.00 -1.54 0.00 0.00 0.00 178.15 176.52 1pyg n SER 513 N -4.51 2.83 -2.82 1.72 3.41 -0.94 -4.70 113.62 108.62 1pyg n SER 513 Ca 0.00 -2.95 -0.11 0.00 -0.26 0.00 0.00 58.87 55.56 1pyg n SER 513 Cb 0.08 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.65 1pyg n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pyg n ASP 514 N -1.01 -2.26 0.18 4.04 2.03 -0.28 -5.05 116.55 114.20 1pyg n ASP 514 Ca 0.16 -3.31 0.13 0.00 0.52 0.00 0.00 54.79 52.29 1pyg n ASP 514 Cb 0.68 1.46 0.62 0.00 -0.72 0.00 0.00 41.12 43.16 1pyg n ASP 514 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1pyg h LEU 515 N 3.74 0.00 -1.84 -2.67 5.85 -1.45 -1.78 115.31 117.17 1pyg h LEU 515 Ca -0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1pyg h LEU 515 Cb 1.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1pyg h LEU 515 CO 0.31 0.00 0.00 0.44 -0.34 0.00 0.00 178.44 178.85 1pyg h ASP 516 N 0.00 0.00 0.21 1.25 3.32 -1.85 -2.58 116.42 116.78 1pyg h ASP 516 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1pyg h ASP 516 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1pyg h ASP 516 CO 0.00 0.00 -0.04 1.56 -1.72 0.00 0.00 179.24 179.04 1pyg h GLN 517 N 0.00 0.00 0.00 3.56 4.20 -1.64 -2.38 115.11 118.85 1pyg h GLN 517 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pyg h GLN 517 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1pyg h GLN 517 CO 0.00 0.04 0.11 -0.07 -0.67 0.00 0.00 178.83 178.24 1pyg h LEU 518 N 0.00 0.00 -2.42 1.46 3.38 -1.70 -1.86 115.31 114.17 1pyg h LEU 518 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pyg h LEU 518 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1pyg h LEU 518 CO 0.00 0.00 0.11 0.03 0.09 0.00 0.00 178.44 178.67 1pyg h ARG 519 N 0.00 0.00 -0.13 1.13 3.08 -1.09 0.51 114.38 117.88 1pyg h ARG 519 Ca 0.00 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.09 1pyg h ARG 519 Cb 0.23 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1pyg h ARG 519 CO 0.00 0.00 0.12 0.87 -1.07 0.00 0.00 179.97 179.89 1pyg h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.59 -0.86 116.57 115.73 1pyg h LYS 520 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1pyg h LYS 520 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1pyg h LYS 520 CO -0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 1pyg n LEU 521 N -4.05 0.21 0.24 2.94 4.77 0.17 -0.61 117.00 120.67 1pyg n LEU 521 Ca 0.00 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1pyg n LEU 521 Cb 0.23 -0.56 0.59 0.00 -2.33 0.00 0.00 43.42 41.36 1pyg n LEU 521 CO 0.30 -0.47 0.89 -0.07 -1.33 0.00 0.00 177.39 176.71 1pyg h LEU 522 N 0.00 0.00 -1.44 2.23 3.38 -1.34 -0.66 115.31 117.47 1pyg h LEU 522 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1pyg h LEU 522 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1pyg h LEU 522 CO 0.00 0.17 -0.28 0.28 0.09 0.00 0.00 178.44 178.70 1pyg h SER 523 N 0.00 0.00 -0.91 -0.43 0.02 -1.06 -2.92 113.55 108.26 1pyg h SER 523 Ca -0.00 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.53 1pyg h SER 523 Cb 0.56 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 62.85 1pyg h SER 523 CO 0.02 0.28 0.53 -1.22 -1.14 0.00 0.00 176.83 175.30 1pyg n TYR 524 N -4.02 2.85 0.23 3.45 4.02 -0.26 -4.31 117.16 119.11 1pyg n TYR 524 Ca -0.02 -1.65 0.10 0.00 -0.01 0.00 0.00 57.90 56.31 1pyg n TYR 524 Cb 0.35 -0.86 0.52 0.00 -0.02 0.00 0.00 39.34 39.33 1pyg n TYR 524 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1pyg h VAL 525 N 1.50 0.67 -0.39 -0.72 -1.51 -1.44 -2.77 116.25 111.59 1pyg h VAL 525 Ca 0.52 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1pyg h VAL 525 Cb 2.69 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 33.49 1pyg h VAL 525 CO 0.98 0.22 0.00 0.47 -1.23 0.00 0.00 177.57 178.02 1pyg n ASP 526 N -3.55 3.36 -4.66 4.19 8.00 -1.26 -4.81 116.55 117.82 1pyg n ASP 526 Ca -0.01 -2.24 -0.43 0.00 0.71 0.00 0.00 54.79 52.82 1pyg n ASP 526 Cb 0.38 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 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 -1.18 7.08 0.36 -2.24 2.15 -1.05 -4.92 116.67 116.87 1pyg s ASP 527 Ca 0.31 1.43 0.03 0.00 0.43 0.00 0.00 52.55 54.76 1pyg s ASP 527 Cb 0.19 -2.54 0.67 0.00 -0.30 0.00 0.00 42.92 40.94 1pyg s ASP 527 CO 0.16 -0.67 1.99 -0.33 -0.17 0.00 0.00 175.17 176.15 1pyg h GLU 528 N 7.54 0.73 -0.26 4.34 4.39 -1.94 -1.59 114.58 127.79 1pyg h GLU 528 Ca -0.21 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1pyg h GLU 528 Cb 1.07 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.55 1pyg h GLU 528 CO 0.97 0.52 0.05 0.00 -1.16 0.00 0.00 179.01 179.40 1pyg h ALA 529 N 1.61 0.35 -0.17 3.43 0.00 -1.97 -1.88 119.26 120.62 1pyg h ALA 529 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1pyg h ALA 529 Cb -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1pyg h ALA 529 CO -0.04 0.02 0.07 0.35 0.00 0.00 0.00 179.25 179.65 1pyg h PHE 530 N 0.25 0.27 0.03 0.00 3.57 -1.78 0.14 116.94 119.41 1pyg h PHE 530 Ca 0.08 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1pyg h PHE 530 Cb 0.31 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.92 1pyg h PHE 530 CO 0.02 0.33 -0.40 0.82 -2.23 0.00 0.00 178.31 176.86 1pyg h ILE 531 N 0.12 0.19 -0.60 1.41 2.04 -1.30 0.37 117.51 119.75 1pyg h ILE 531 Ca 0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.05 1pyg h ILE 531 Cb 0.18 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.42 1pyg h ILE 531 CO -0.00 0.00 0.41 -0.09 0.00 0.00 0.00 178.15 178.47 1pyg h ARG 532 N -0.57 0.25 0.01 2.37 1.12 -1.00 -1.92 114.38 114.63 1pyg h ARG 532 Ca 0.04 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 58.89 1pyg h ARG 532 Cb 0.64 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1pyg h ARG 532 CO -0.29 0.17 -0.06 -0.44 -3.11 0.00 0.00 179.97 176.24 1pyg h ASP 533 N 0.26 0.04 -0.63 -3.80 3.32 0.52 -2.98 116.42 113.15 1pyg h ASP 533 Ca 0.28 -0.89 0.12 0.00 0.02 0.00 0.00 57.03 56.56 1pyg h ASP 533 Cb 0.77 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 1pyg h ASP 533 CO -0.06 0.93 0.16 0.58 -1.72 0.00 0.00 179.24 179.12 1pyg h VAL 534 N -0.84 0.64 -0.86 -1.35 2.07 -0.61 0.73 116.25 116.02 1pyg h VAL 534 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1pyg h VAL 534 Cb 0.94 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1pyg h VAL 534 CO 0.01 0.05 0.52 0.00 0.02 0.00 0.00 177.57 178.17 1pyg h ALA 535 N 1.50 1.29 -0.14 1.67 0.00 -1.50 -2.39 119.26 119.69 1pyg h ALA 535 Ca 0.33 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1pyg h ALA 535 Cb 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1pyg h ALA 535 CO -0.41 0.61 -0.35 -0.22 0.00 0.00 0.00 179.25 178.88 1pyg h LYS 536 N 1.19 0.48 -0.79 0.00 3.64 -0.86 -1.91 116.57 118.31 1pyg h LYS 536 Ca 0.31 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 59.38 1pyg h LYS 536 Cb -0.05 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1pyg h LYS 536 CO -0.06 0.95 0.51 0.28 -2.27 0.00 0.00 179.45 178.86 1pyg h VAL 537 N 0.09 1.14 0.00 2.00 2.07 -0.53 0.20 116.25 121.23 1pyg h VAL 537 Ca -0.01 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1pyg h VAL 537 Cb 0.97 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1pyg h VAL 537 CO 0.08 0.18 -0.05 0.50 0.02 0.00 0.00 177.57 178.31 1pyg h LYS 538 N 1.01 -0.08 -0.83 1.57 1.63 -1.43 -0.07 116.57 118.37 1pyg h LYS 538 Ca 0.31 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.12 1pyg h LYS 538 Cb -0.03 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 1pyg h LYS 538 CO -0.10 -0.05 0.53 0.37 -3.45 0.00 0.00 179.45 176.74 1pyg h GLN 539 N -0.08 1.11 -0.23 1.90 5.75 -0.32 0.69 115.11 123.93 1pyg h GLN 539 Ca 0.02 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1pyg h GLN 539 Cb 0.11 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 28.39 1pyg h GLN 539 CO -0.05 0.76 0.10 0.93 -2.65 0.00 0.00 178.83 177.93 1pyg h GLU 540 N 1.14 0.22 -0.04 1.69 5.08 -0.12 -1.35 114.58 121.19 1pyg h GLU 540 Ca 0.30 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 1pyg h GLU 540 Cb -0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1pyg h GLU 540 CO -0.06 0.14 -0.42 -0.91 -1.00 0.00 0.00 179.01 176.76 1pyg h ASN 541 N 0.22 0.10 0.46 1.42 -0.26 0.05 -2.30 115.58 115.28 1pyg h ASN 541 Ca 0.09 -0.04 -0.19 0.00 -0.56 0.00 0.00 56.30 55.61 1pyg h ASN 541 Cb 0.04 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1pyg h ASN 541 CO -0.07 0.52 -0.80 0.11 -1.06 0.00 0.00 177.43 176.12 1pyg h LYS 542 N 0.08 0.25 -0.08 0.81 1.57 0.13 -1.56 116.57 117.77 1pyg h LYS 542 Ca 0.01 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1pyg h LYS 542 Cb 0.79 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1pyg h LYS 542 CO 0.06 0.93 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.78 1pyg h LEU 543 N 0.16 0.15 -0.68 2.94 -0.00 -1.26 -0.28 115.31 116.34 1pyg h LEU 543 Ca -0.04 -0.36 0.04 0.00 -0.00 0.00 0.00 57.88 57.53 1pyg h LEU 543 Cb 1.39 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 41.96 1pyg h LEU 543 CO 0.13 0.47 0.41 0.50 -0.00 0.00 0.00 178.44 179.95 1pyg h LYS 544 N -0.17 0.75 -0.12 1.13 3.64 -1.32 0.11 116.57 120.58 1pyg h LYS 544 Ca 0.02 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.18 1pyg h LYS 544 Cb 0.40 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1pyg h LYS 544 CO 0.01 0.50 -0.66 0.35 -2.27 0.00 0.00 179.45 177.37 1pyg h PHE 545 N 0.77 0.63 -0.30 1.91 3.57 -1.26 -3.04 116.94 119.23 1pyg h PHE 545 Ca 0.29 -0.26 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1pyg h PHE 545 Cb 0.10 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1pyg h PHE 545 CO -0.06 1.00 -0.05 0.00 -2.23 0.00 0.00 178.31 176.98 1pyg h ALA 546 N 0.93 1.37 -0.13 2.41 0.00 -0.16 -1.66 119.26 122.03 1pyg h ALA 546 Ca -0.02 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1pyg h ALA 546 Cb 1.22 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1pyg h ALA 546 CO 0.12 0.43 -0.32 0.00 0.00 0.00 0.00 179.25 179.48 1pyg h ALA 547 N 1.51 -0.39 -0.06 0.00 0.00 -0.70 -1.34 119.26 118.29 1pyg h ALA 547 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1pyg h ALA 547 Cb 0.37 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 1pyg h ALA 547 CO 0.02 -0.80 -0.20 -0.92 0.00 0.00 0.00 179.25 177.34 1pyg h TYR 548 N -0.40 -0.53 0.00 0.00 5.03 -1.50 0.32 116.97 119.88 1pyg h TYR 548 Ca 0.09 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.43 1pyg h TYR 548 Cb 0.55 0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.07 1pyg h TYR 548 CO -0.41 -0.28 0.00 -0.07 -1.32 0.00 0.00 178.16 176.08 1pyg h LEU 549 N -0.29 0.00 0.00 2.82 3.38 -0.57 -2.63 115.31 118.02 1pyg h LEU 549 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pyg h LEU 549 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1pyg h LEU 549 CO -0.23 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 178.19 1pyg h GLU 550 N 0.00 0.00 -2.10 1.13 4.22 -0.13 -0.38 114.58 117.32 1pyg h GLU 550 Ca 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1pyg h GLU 550 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1pyg h GLU 550 CO 0.00 0.00 -0.01 2.89 -2.18 0.00 0.00 179.01 179.71 1pyg n ARG 551 N -2.44 0.78 0.00 1.92 1.85 0.10 0.39 116.66 119.26 1pyg n ARG 551 Ca -0.00 -0.16 0.00 0.00 -1.00 0.00 0.00 57.85 56.68 1pyg n ARG 551 Cb 0.02 -1.35 0.00 0.00 -1.05 0.00 0.00 32.46 30.07 1pyg n ARG 551 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1pyg n GLU 552 N 1.96 0.00 0.00 2.89 -0.58 -1.02 -4.87 120.64 119.02 1pyg n GLU 552 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 1pyg n GLU 552 Cb 0.38 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.26 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 -0.40 0.00 -3.98 -0.32 4.02 -1.20 -4.83 117.16 110.44 1pyg n TYR 553 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.59 1pyg n TYR 553 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 1pyg n TYR 553 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1pyg n LYS 554 N -0.80 -0.86 -4.06 -0.72 5.02 0.16 -4.86 118.16 112.04 1pyg n LYS 554 Ca 0.00 0.09 -0.24 0.00 -2.02 0.00 0.00 58.31 56.14 1pyg n LYS 554 Cb 0.00 -3.35 -0.04 0.00 -0.02 0.00 0.00 35.03 31.62 1pyg n LYS 554 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pyg s VAL 555 N -3.53 4.69 -0.24 -0.18 1.01 -0.17 -4.94 120.40 117.05 1pyg s VAL 555 Ca 0.32 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1pyg s VAL 555 Cb -0.19 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1pyg s VAL 555 CO 0.83 -0.21 -0.12 -1.00 0.00 0.00 0.00 175.10 174.60 1pyg s HIS 556 N -1.90 2.98 0.16 5.22 3.76 -1.26 -3.60 115.29 120.65 1pyg s HIS 556 Ca 0.32 -2.05 0.09 0.00 -0.15 0.00 0.00 55.06 53.28 1pyg s HIS 556 Cb -0.09 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.70 1pyg s HIS 556 CO 0.25 -0.84 -0.15 0.96 -0.85 0.00 0.00 174.74 174.11 1pyg s ILE 557 N 1.20 2.90 -0.57 0.60 -4.36 -1.26 -5.10 121.20 114.62 1pyg s ILE 557 Ca -0.05 -1.70 -0.23 0.00 -0.26 0.00 0.00 60.65 58.42 1pyg s ILE 557 Cb -0.18 -2.40 0.05 0.00 1.25 0.00 0.00 42.46 41.19 1pyg s ILE 557 CO -0.07 -0.05 0.88 0.21 0.24 0.00 0.00 174.94 176.15 1pyg s ASN 558 N -2.59 6.27 0.00 4.36 3.84 -1.26 -4.93 114.94 120.63 1pyg s ASN 558 Ca 0.22 -0.66 0.02 0.00 0.21 0.00 0.00 52.86 52.66 1pyg s ASN 558 Cb -0.09 -2.40 0.15 0.00 -0.55 0.00 0.00 41.25 38.36 1pyg s ASN 558 CO 0.12 -1.21 0.50 -0.81 -2.79 0.00 0.00 177.10 172.91 1pyg n PRO 559 N 7.24 0.12 -0.02 0.43 -0.04 -1.26 -1.38 135.00 140.08 1pyg n PRO 559 Ca -0.02 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1pyg n PRO 559 Cb 0.46 -1.32 0.04 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.82 2.12 -2.24 3.54 4.13 -1.26 -4.69 115.26 116.04 1pyg n ASN 560 Ca 0.02 -2.30 -0.03 0.00 1.68 0.00 0.00 54.58 53.94 1pyg n ASN 560 Cb 0.01 -0.12 0.02 0.00 -1.54 0.00 0.00 39.78 38.15 1pyg n ASN 560 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1pyg n SER 561 N -0.74 0.05 -4.61 6.41 3.41 -0.48 -4.95 113.62 112.71 1pyg n SER 561 Ca 0.05 -1.08 -0.39 0.00 -0.26 0.00 0.00 58.87 57.19 1pyg n SER 561 Cb 0.36 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 1pyg n SER 561 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1pyg s LEU 562 N 0.00 4.05 -0.51 1.04 2.96 -0.18 -4.92 118.68 121.12 1pyg s LEU 562 Ca 0.08 0.26 -0.23 0.00 -0.22 0.00 0.00 54.13 54.02 1pyg s LEU 562 Cb -0.00 -2.38 0.04 0.00 0.50 0.00 0.00 46.19 44.35 1pyg s LEU 562 CO 0.06 -0.15 0.84 -0.36 -1.32 0.00 0.00 176.35 175.42 1pyg s PHE 563 N 1.94 2.90 -0.34 5.38 0.40 -1.26 -0.63 117.98 126.38 1pyg s PHE 563 Ca 0.14 -0.03 -0.15 0.00 -0.60 0.00 0.00 56.93 56.29 1pyg s PHE 563 Cb -0.16 -3.85 -0.01 0.00 0.51 0.00 0.00 43.02 39.51 1pyg s PHE 563 CO 0.10 -1.17 0.35 0.34 0.70 0.00 0.00 175.22 175.53 1pyg s ASP 564 N 2.57 6.17 -0.00 1.36 -1.08 -0.25 -0.59 116.67 124.84 1pyg s ASP 564 Ca 0.28 -0.21 0.07 0.00 -0.52 0.00 0.00 52.55 52.17 1pyg s ASP 564 Cb -0.13 -2.19 -0.02 0.00 -1.46 0.00 0.00 42.92 39.12 1pyg s ASP 564 CO 0.19 -0.32 -0.22 -0.69 0.52 0.00 0.00 175.17 174.65 1pyg s VAL 565 N 1.99 1.78 -0.21 1.11 1.01 -0.00 -0.35 120.40 125.73 1pyg s VAL 565 Ca 0.11 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.03 1pyg s VAL 565 Cb -0.17 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.80 1pyg s VAL 565 CO 0.11 0.45 0.11 -1.58 0.00 0.00 0.00 175.10 174.20 1pyg s GLN 566 N -0.66 0.11 -0.34 2.72 0.74 0.10 -1.94 119.66 120.39 1pyg s GLN 566 Ca 0.09 -0.18 0.02 0.00 0.05 0.00 0.00 55.36 55.34 1pyg s GLN 566 Cb -0.09 -1.59 0.10 0.00 1.10 0.00 0.00 33.01 32.54 1pyg s GLN 566 CO -0.00 -0.77 0.09 0.14 -0.55 0.00 0.00 175.29 174.19 1pyg s VAL 567 N 2.15 1.74 0.27 1.34 -7.23 -1.25 -0.97 120.40 116.44 1pyg s VAL 567 Ca 0.04 -2.06 -0.04 0.00 -1.81 0.00 0.00 61.98 58.11 1pyg s VAL 567 Cb -0.16 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1pyg s VAL 567 CO -0.17 -0.65 0.34 -0.54 -0.31 0.00 0.00 175.10 173.77 1pyg s LYS 568 N 1.08 1.55 0.32 4.82 -0.14 -1.13 -5.00 119.74 121.24 1pyg s LYS 568 Ca 0.11 -1.59 -0.29 0.00 -1.36 0.00 0.00 55.97 52.84 1pyg s LYS 568 Cb -0.19 0.38 -0.10 0.00 -1.68 0.00 0.00 37.83 36.24 1pyg s LYS 568 CO -0.14 -0.60 1.27 1.03 -0.76 0.00 0.00 175.35 176.15 1pyg s ARG 569 N -3.75 4.41 -0.87 1.68 0.52 -1.26 -4.26 118.95 115.43 1pyg s ARG 569 Ca 0.32 2.13 -0.25 0.00 -0.52 0.00 0.00 55.73 57.41 1pyg s ARG 569 Cb 0.02 -3.10 0.04 0.00 0.52 0.00 0.00 34.95 32.43 1pyg s ARG 569 CO 0.15 -0.11 1.36 0.42 0.02 0.00 0.00 175.30 177.14 1pyg s ILE 570 N -1.11 3.81 0.02 1.52 1.01 -0.77 -4.84 121.20 120.84 1pyg s ILE 570 Ca 0.48 -0.14 0.02 0.00 0.00 0.00 0.00 60.65 61.01 1pyg s ILE 570 Cb -0.38 -4.98 -0.01 0.00 0.01 0.00 0.00 42.46 37.10 1pyg s ILE 570 CO 0.50 -1.89 -0.07 -2.28 0.00 0.00 0.00 174.94 171.20 1pyg s HIS 571 N 5.42 0.60 0.38 3.97 2.46 -1.26 -4.59 115.29 122.27 1pyg s HIS 571 Ca 0.40 -0.31 0.21 0.00 0.47 0.00 0.00 55.06 55.83 1pyg s HIS 571 Cb -0.04 -0.37 1.24 0.00 -0.13 0.00 0.00 32.58 33.28 1pyg s HIS 571 CO 0.03 -0.05 1.64 0.93 -2.47 0.00 0.00 174.74 174.83 1pyg h GLU 572 N 5.19 0.19 0.00 2.88 5.08 -1.97 -1.24 114.58 124.72 1pyg h GLU 572 Ca -0.32 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1pyg h GLU 572 Cb 1.20 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1pyg h GLU 572 CO 0.45 0.13 0.00 2.48 -1.00 0.00 0.00 179.01 181.07 1pyg n TYR 573 N -4.94 0.59 0.22 4.33 4.11 -1.26 -2.77 117.16 117.44 1pyg n TYR 573 Ca 0.34 0.18 0.10 0.00 -0.00 0.00 0.00 57.90 58.52 1pyg n TYR 573 Cb 1.17 -0.79 0.44 0.00 -0.00 0.00 0.00 39.34 40.15 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 -5.75 -3.48 1.79 -1.54 -3.16 116.57 104.43 1pyg h LYS 574 Ca 0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.12 1pyg h LYS 574 Cb 0.60 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.40 1pyg h LYS 574 CO 0.00 0.22 -0.77 0.54 -1.08 0.00 0.00 179.45 178.36 1pyg n ARG 575 N -3.35 -6.43 0.32 3.15 1.74 -1.11 -3.94 116.66 107.04 1pyg n ARG 575 Ca 0.00 0.81 0.22 0.00 -0.77 0.00 0.00 57.85 58.11 1pyg n ARG 575 Cb 0.44 -5.75 1.10 0.00 -1.02 0.00 0.00 32.46 27.24 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 -1.96 0.00 0.00 5.56 7.50 -1.84 -1.60 115.11 122.77 1pyg h GLN 576 Ca -0.59 0.00 -0.11 0.00 0.50 0.00 0.00 58.65 58.45 1pyg h GLN 576 Cb 1.35 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.86 1pyg h GLN 576 CO 0.52 0.00 -0.50 1.25 -1.50 0.00 0.00 178.83 178.59 1pyg h LEU 577 N 0.00 0.00 -0.58 1.46 5.85 -1.91 0.83 115.31 120.96 1pyg h LEU 577 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 1pyg h LEU 577 Cb 0.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1pyg h LEU 577 CO 0.00 0.50 -0.15 0.25 -0.34 0.00 0.00 178.44 178.71 1pyg h LEU 578 N 0.00 0.99 -0.49 2.25 6.46 -1.67 -0.94 115.31 121.91 1pyg h LEU 578 Ca -0.01 -0.34 -0.06 0.00 -0.12 0.00 0.00 57.88 57.35 1pyg h LEU 578 Cb 1.30 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.94 1pyg h LEU 578 CO 0.07 1.12 0.06 -1.13 -0.62 0.00 0.00 178.44 177.94 1pyg h ASN 579 N 0.87 0.80 -0.30 1.25 -0.00 -1.32 -1.56 115.58 115.32 1pyg h ASN 579 Ca 0.13 -0.27 -0.06 0.00 -0.00 0.00 0.00 56.30 56.09 1pyg h ASN 579 Cb 0.71 -0.21 -0.02 0.00 -0.00 0.00 0.00 38.32 38.79 1pyg h ASN 579 CO 0.05 0.87 -0.02 0.00 -0.00 0.00 0.00 177.43 178.34 1pyg h LEU 581 N 0.61 0.21 -0.51 0.00 4.07 -1.01 -2.52 115.31 116.16 1pyg h LEU 581 Ca 0.12 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.08 1pyg h LEU 581 Cb 0.41 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 1pyg h LEU 581 CO 0.02 0.20 0.22 -0.74 -1.08 0.00 0.00 178.44 177.07 1pyg h HIS 582 N 0.20 0.41 -0.52 1.13 2.76 -1.02 -0.84 115.15 117.27 1pyg h HIS 582 Ca 0.06 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1pyg h HIS 582 Cb 0.04 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 1pyg h HIS 582 CO -0.05 0.17 0.03 -0.24 -1.30 0.00 0.00 177.93 176.54 1pyg h VAL 583 N 0.44 1.25 -0.04 5.26 3.04 -1.27 -0.93 116.25 123.99 1pyg h VAL 583 Ca 0.24 -1.00 -0.09 0.00 -1.01 0.00 0.00 66.70 64.83 1pyg h VAL 583 Cb 0.20 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 1pyg h VAL 583 CO -0.20 0.36 -0.41 0.40 -1.01 0.00 0.00 177.57 176.70 1pyg h ILE 584 N 0.80 1.31 0.07 3.17 2.04 -1.03 -0.50 117.51 123.37 1pyg h ILE 584 Ca 0.16 -1.47 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1pyg h ILE 584 Cb 0.44 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1pyg h ILE 584 CO 0.02 0.43 -0.04 0.74 0.00 0.00 0.00 178.15 179.30 1pyg h THR 585 N 0.08 0.94 -0.50 -0.27 2.02 -0.31 0.39 112.91 115.27 1pyg h THR 585 Ca 0.01 -0.05 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1pyg h THR 585 Cb 0.77 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1pyg h THR 585 CO 0.06 0.01 0.20 -0.07 0.37 0.00 0.00 175.52 176.09 1pyg h LEU 586 N -0.12 0.23 0.97 2.58 4.07 -0.55 -1.31 115.31 121.18 1pyg h LEU 586 Ca -0.01 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 1pyg h LEU 586 Cb 0.10 0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.86 1pyg h LEU 586 CO 0.02 0.16 -0.47 0.22 -1.08 0.00 0.00 178.44 177.29 1pyg h TYR 587 N 0.39 -1.23 -0.74 1.13 3.20 -0.54 -0.27 116.97 118.92 1pyg h TYR 587 Ca 0.23 -0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.15 1pyg h TYR 587 Cb 0.22 0.41 -0.06 0.00 1.54 0.00 0.00 36.73 38.83 1pyg h TYR 587 CO -0.14 -0.76 0.41 -0.91 -1.64 0.00 0.00 178.16 175.12 1pyg h ASN 588 N -1.32 0.60 -0.15 -2.11 -0.26 -0.89 -0.04 115.58 111.41 1pyg h ASN 588 Ca -0.13 0.04 0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1pyg h ASN 588 Cb 1.01 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 38.14 1pyg h ASN 588 CO 0.22 0.37 -0.18 0.03 -1.06 0.00 0.00 177.43 176.80 1pyg h ARG 589 N 0.73 -0.21 -0.44 0.81 3.08 -1.00 0.29 114.38 117.64 1pyg h ARG 589 Ca 0.34 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.46 1pyg h ARG 589 Cb 0.27 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.32 1pyg h ARG 589 CO -0.21 -0.14 0.17 0.82 -1.07 0.00 0.00 179.97 179.53 1pyg h ILE 590 N -0.22 0.88 -0.85 2.04 2.04 -0.21 -1.19 117.51 120.01 1pyg h ILE 590 Ca 0.10 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1pyg h ILE 590 Cb 0.38 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1pyg h ILE 590 CO -0.28 0.06 0.56 0.11 0.00 0.00 0.00 178.15 178.60 1pyg h LYS 591 N 0.35 1.07 -0.28 2.37 1.79 0.11 -2.18 116.57 119.80 1pyg h LYS 591 Ca 0.20 -0.06 -0.15 0.00 -2.18 0.00 0.00 60.65 58.46 1pyg h LYS 591 Cb 0.18 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 1pyg h LYS 591 CO -0.19 0.71 -0.41 -0.22 -1.08 0.00 0.00 179.45 178.26 1pyg h LYS 592 N 1.10 0.77 -2.68 3.15 3.64 0.73 -3.36 116.57 119.92 1pyg h LYS 592 Ca 0.32 -0.46 -0.61 0.00 -1.27 0.00 0.00 60.65 58.64 1pyg h LYS 592 Cb -0.06 0.04 -0.41 0.00 -0.41 0.00 0.00 32.23 31.39 1pyg h LYS 592 CO -0.08 1.09 -0.67 0.39 -2.27 0.00 0.00 179.45 177.90 1pyg n GLU 593 N -4.15 1.70 0.26 1.90 1.02 -0.82 -4.98 120.64 115.58 1pyg n GLU 593 Ca -0.04 -4.26 0.12 0.00 -0.02 0.00 0.00 57.16 52.95 1pyg n GLU 593 Cb 0.55 -2.12 0.52 0.00 -0.02 0.00 0.00 31.44 30.37 1pyg n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1pyg h PRO 594 N 5.03 0.00 -0.21 3.49 0.11 -1.57 -1.33 132.00 137.52 1pyg h PRO 594 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1pyg h PRO 594 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1pyg h PRO 594 CO 0.68 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.56 1pyg n ASN 595 N -2.88 2.59 -4.76 -2.05 3.02 -1.26 -4.96 115.26 104.95 1pyg n ASN 595 Ca 0.02 -2.05 -0.39 0.00 -0.03 0.00 0.00 54.58 52.13 1pyg n ASN 595 Cb 0.70 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.09 4.67 0.07 3.52 2.20 -0.50 -4.98 119.74 123.62 1pyg s LYS 596 Ca 0.15 1.53 -0.30 0.00 -0.36 0.00 0.00 55.97 56.99 1pyg s LYS 596 Cb 0.08 -3.07 -0.06 0.00 -1.51 0.00 0.00 37.83 33.28 1pyg s LYS 596 CO 0.09 0.32 1.15 0.12 -0.36 0.00 0.00 175.35 176.67 1pyg s PHE 597 N -1.33 3.49 0.23 4.03 5.36 -1.26 -5.02 117.98 123.48 1pyg s PHE 597 Ca 0.46 1.40 0.11 0.00 -0.96 0.00 0.00 56.93 57.93 1pyg s PHE 597 Cb -0.25 -3.36 -0.05 0.00 -0.34 0.00 0.00 43.02 39.02 1pyg s PHE 597 CO 0.32 -1.00 -0.20 0.14 -1.46 0.00 0.00 175.22 173.02 1pyg s VAL 598 N 0.86 2.22 -0.08 3.12 -7.23 -1.26 -5.10 120.40 112.92 1pyg s VAL 598 Ca 0.56 -2.22 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 1pyg s VAL 598 Cb -0.28 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1pyg s VAL 598 CO 0.30 -0.36 1.23 -0.69 -0.31 0.00 0.00 175.10 175.26 1pyg s VAL 599 N -2.35 4.24 0.37 1.32 1.01 -1.26 -5.00 120.40 118.73 1pyg s VAL 599 Ca 0.25 1.55 -0.26 0.00 0.00 0.00 0.00 61.98 63.51 1pyg s VAL 599 Cb -0.05 -4.00 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 1pyg s VAL 599 CO 0.11 -0.04 1.11 -2.16 0.00 0.00 0.00 175.10 174.12 1pyg s PRO 600 N 2.57 4.24 0.02 2.72 0.04 -1.26 -4.93 135.00 138.40 1pyg s PRO 600 Ca 0.56 1.71 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1pyg s PRO 600 Cb -0.24 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.53 1pyg s PRO 600 CO 0.20 -0.12 -0.06 1.03 0.04 0.00 0.00 177.00 178.09 1pyg s ARG 601 N -2.15 0.43 -0.34 4.56 0.52 0.78 -1.01 118.95 121.73 1pyg s ARG 601 Ca 0.54 -0.44 -0.03 0.00 -0.52 0.00 0.00 55.73 55.28 1pyg s ARG 601 Cb -0.28 -0.29 0.07 0.00 0.52 0.00 0.00 34.95 34.96 1pyg s ARG 601 CO 0.35 0.07 0.08 0.99 0.02 0.00 0.00 175.30 176.81 1pyg s THR 602 N -0.73 3.24 -0.39 0.02 2.01 0.20 -2.17 115.64 117.83 1pyg s THR 602 Ca -0.04 -1.53 -0.21 0.00 0.31 0.00 0.00 61.69 60.23 1pyg s THR 602 Cb -0.06 -2.96 0.01 0.00 0.01 0.00 0.00 72.50 69.50 1pyg s THR 602 CO 0.00 -0.29 0.64 -0.69 -0.69 0.00 0.00 174.62 173.59 1pyg s VAL 603 N 1.25 4.86 -0.29 3.82 1.01 -0.10 -1.09 120.40 129.86 1pyg s VAL 603 Ca -0.01 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1pyg s VAL 603 Cb -0.21 -4.14 0.06 0.00 0.00 0.00 0.00 36.38 32.10 1pyg s VAL 603 CO -0.01 -0.44 -0.04 -0.04 0.00 0.00 0.00 175.10 174.56 1pyg s MET 604 N 2.77 2.21 -0.16 2.72 -1.94 0.53 -1.18 119.30 124.24 1pyg s MET 604 Ca 0.24 -1.40 -0.05 0.00 -1.71 0.00 0.00 55.69 52.77 1pyg s MET 604 Cb -0.14 -3.05 -0.03 0.00 2.01 0.00 0.00 34.83 33.62 1pyg s MET 604 CO 0.17 -0.65 -0.01 0.42 -0.01 0.00 0.00 175.02 174.93 1pyg s ILE 605 N 1.13 4.09 -0.07 2.53 1.01 -0.58 -0.72 121.20 128.59 1pyg s ILE 605 Ca -0.05 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 1pyg s ILE 605 Cb -0.20 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.50 1pyg s ILE 605 CO -0.04 0.48 0.41 -0.83 0.00 0.00 0.00 174.94 174.97 1pyg s GLY 606 N 0.39 -0.28 0.00 6.18 0.00 -0.14 -0.30 107.32 113.16 1pyg s GLY 606 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.51 1pyg s GLY 606 CO 0.02 0.60 0.00 0.61 0.00 0.00 0.00 173.10 174.33 1pyg n GLY 607 N 1.79 1.48 3.92 0.20 0.00 -1.26 -2.84 105.19 108.48 1pyg n GLY 607 Ca -0.18 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 3.51 -0.26 1.61 1.02 -1.26 -4.74 119.74 117.62 1pyg s LYS 608 Ca 0.00 -0.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.58 1pyg s LYS 608 Cb 0.00 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 1pyg s LYS 608 CO 0.00 0.52 0.07 0.00 -0.92 0.00 0.00 175.35 175.02 1pyg s ALA 609 N -1.65 3.13 0.19 5.17 0.00 -1.26 -1.85 121.76 125.50 1pyg s ALA 609 Ca 0.37 -1.18 -0.33 0.00 0.00 0.00 0.00 51.96 50.83 1pyg s ALA 609 Cb -0.12 -2.08 -0.13 0.00 0.00 0.00 0.00 23.12 20.79 1pyg s ALA 609 CO 0.27 -0.55 1.66 0.00 0.00 0.00 0.00 175.76 177.14 1pyg n ALA 610 N 4.91 2.22 -1.89 0.00 0.00 -1.26 -4.84 120.51 119.65 1pyg n ALA 610 Ca -0.16 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 1pyg n ALA 610 Cb 0.51 -2.45 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 1pyg n ALA 610 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1pyg s PRO 611 N 0.99 4.51 0.00 0.00 0.04 -1.26 -1.93 135.00 137.35 1pyg s PRO 611 Ca 0.76 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1pyg s PRO 611 Cb -0.58 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1pyg s PRO 611 CO 0.35 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.79 1pyg n GLY 612 N 1.59 3.19 3.59 0.56 0.00 -1.26 -4.99 105.19 107.88 1pyg n GLY 612 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.95 2.35 0.05 1.61 6.14 -0.81 -4.85 117.35 118.89 1pyg s TYR 613 Ca 0.00 0.62 -0.19 0.00 0.64 0.00 0.00 57.07 58.14 1pyg s TYR 613 Cb 0.00 -4.33 -0.14 0.00 0.42 0.00 0.00 41.96 37.91 1pyg s TYR 613 CO 0.00 -1.98 1.34 1.25 0.64 0.00 0.00 175.55 176.80 1pyg h HIS 614 N 10.90 0.50 -0.85 4.97 -0.00 -1.94 -2.77 115.15 125.96 1pyg h HIS 614 Ca -0.27 -0.16 0.02 0.00 -0.00 0.00 0.00 60.37 59.96 1pyg h HIS 614 Cb 1.10 -0.10 -0.05 0.00 -0.00 0.00 0.00 27.41 28.37 1pyg h HIS 614 CO 0.99 0.81 0.56 1.98 -0.00 0.00 0.00 177.93 182.27 1pyg h MET 615 N 0.04 1.06 -0.52 5.26 -1.53 -1.99 -1.06 114.93 116.19 1pyg h MET 615 Ca 0.02 -0.06 -0.03 0.00 -3.44 0.00 0.00 59.70 56.19 1pyg h MET 615 Cb 0.74 -0.24 -0.02 0.00 -0.55 0.00 0.00 31.60 31.53 1pyg h MET 615 CO 0.05 0.70 0.21 0.00 0.14 0.00 0.00 176.91 178.00 1pyg h ALA 616 N 1.49 0.68 0.00 0.39 0.00 -1.85 0.48 119.26 120.45 1pyg h ALA 616 Ca 0.33 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1pyg h ALA 616 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1pyg h ALA 616 CO -0.09 0.29 -0.23 0.87 0.00 0.00 0.00 179.25 180.09 1pyg h LYS 617 N 0.70 0.00 0.00 0.00 1.57 -1.10 -2.44 116.57 115.31 1pyg h LYS 617 Ca 0.17 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.75 1pyg h LYS 617 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1pyg h LYS 617 CO -0.01 0.23 -0.90 0.52 -0.57 0.00 0.00 179.45 178.72 1pyg h MET 618 N 0.00 0.25 -0.57 3.15 2.86 0.19 -2.69 114.93 118.11 1pyg h MET 618 Ca -0.00 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1pyg h MET 618 Cb 0.52 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1pyg h MET 618 CO 0.03 0.99 0.24 0.82 1.06 0.00 0.00 176.91 180.06 1pyg h ILE 619 N 0.14 1.22 0.06 -1.22 2.04 -0.50 0.13 117.51 119.38 1pyg h ILE 619 Ca -0.05 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 1pyg h ILE 619 Cb 1.53 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1pyg h ILE 619 CO 0.14 0.26 -0.03 0.40 0.00 0.00 0.00 178.15 178.92 1pyg h ILE 620 N 0.78 1.00 -0.90 -0.67 2.04 -1.56 -0.34 117.51 117.85 1pyg h ILE 620 Ca 0.19 -0.17 0.10 0.00 1.00 0.00 0.00 64.86 65.99 1pyg h ILE 620 Cb 0.18 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1pyg h ILE 620 CO -0.02 0.04 0.58 0.50 0.00 0.00 0.00 178.15 179.26 1pyg h LYS 621 N -0.15 0.86 -0.43 2.37 1.63 -1.03 -1.14 116.57 118.69 1pyg h LYS 621 Ca -0.01 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.64 1pyg h LYS 621 Cb 0.13 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.55 1pyg h LYS 621 CO 0.01 0.57 -0.12 1.25 -3.45 0.00 0.00 179.45 177.71 1pyg h LEU 622 N 0.88 0.85 -1.03 5.20 5.85 -0.04 -0.25 115.31 126.77 1pyg h LEU 622 Ca 0.42 -0.37 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1pyg h LEU 622 Cb 0.44 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 1pyg h LEU 622 CO -0.19 1.02 0.18 0.40 -0.34 0.00 0.00 178.44 179.52 1pyg h ILE 623 N 0.67 1.23 0.02 4.05 2.04 0.12 0.08 117.51 125.70 1pyg h ILE 623 Ca 0.11 -0.77 -0.21 0.00 1.00 0.00 0.00 64.86 64.99 1pyg h ILE 623 Cb 0.66 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1pyg h ILE 623 CO 0.05 0.30 -0.96 0.71 0.00 0.00 0.00 178.15 178.24 1pyg h THR 624 N 0.86 1.60 -0.45 -0.27 1.35 -1.14 -0.98 112.91 113.86 1pyg h THR 624 Ca 0.19 -3.02 -0.05 0.00 -0.55 0.00 0.00 66.41 62.98 1pyg h THR 624 Cb 0.25 2.68 -0.02 0.00 -1.73 0.00 0.00 68.15 69.34 1pyg h THR 624 CO -0.01 0.87 0.08 0.00 -0.25 0.00 0.00 175.52 176.21 1pyg h ALA 625 N 0.98 0.60 0.41 6.62 0.00 -0.04 0.27 119.26 128.09 1pyg h ALA 625 Ca -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1pyg h ALA 625 Cb 1.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1pyg h ALA 625 CO 0.14 0.32 -0.32 0.82 0.00 0.00 0.00 179.25 180.20 1pyg h ILE 626 N 0.61 0.33 -0.54 0.00 2.04 -1.05 -2.78 117.51 116.13 1pyg h ILE 626 Ca 0.14 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.11 1pyg h ILE 626 Cb 0.37 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.68 1pyg h ILE 626 CO 0.01 0.00 -0.20 1.23 0.00 0.00 0.00 178.15 179.19 1pyg h GLY 627 N -0.73 0.24 1.00 5.37 0.00 -0.58 -0.05 103.07 108.33 1pyg h GLY 627 Ca -0.04 0.26 0.07 0.00 0.00 0.00 0.00 47.33 47.62 1pyg h GLY 627 CO -0.01 -0.22 0.49 -0.55 0.00 0.00 0.00 176.54 176.25 1pyg h ASP 628 N -0.07 0.69 0.20 0.19 3.32 -0.29 0.12 116.42 120.58 1pyg h ASP 628 Ca 0.25 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.30 1pyg h ASP 628 Cb 0.46 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1pyg h ASP 628 CO -0.59 0.44 -0.10 0.58 -1.72 0.00 0.00 179.24 177.86 1pyg h VAL 629 N 0.78 0.00 -0.67 -1.35 2.07 -0.86 -3.26 116.25 112.96 1pyg h VAL 629 Ca 0.33 -0.52 0.13 0.00 0.82 0.00 0.00 66.70 67.46 1pyg h VAL 629 Cb 0.27 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.94 1pyg h VAL 629 CO -0.11 0.00 0.17 0.58 0.02 0.00 0.00 177.57 178.23 1pyg h VAL 630 N -0.79 0.60 0.00 2.57 2.07 -0.81 0.11 116.25 120.00 1pyg h VAL 630 Ca -0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1pyg h VAL 630 Cb 0.20 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1pyg h VAL 630 CO 0.04 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.28 1pyg n ASN 631 N -5.12 0.29 -0.13 0.57 3.02 0.39 -2.27 115.26 112.01 1pyg n ASN 631 Ca 0.12 0.57 0.01 0.00 -0.03 0.00 0.00 54.58 55.25 1pyg n ASN 631 Cb 0.38 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.95 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 -1.82 0.08 -2.73 3.10 8.25 0.30 -4.97 115.22 117.42 1pyg n HIS 632 Ca 0.03 -0.39 -0.43 0.00 -0.26 0.00 0.00 57.72 56.67 1pyg n HIS 632 Cb 0.20 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 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 -0.83 6.70 0.33 0.41 -1.08 -0.69 -4.96 116.67 116.56 1pyg s ASP 633 Ca 0.05 0.60 0.08 0.00 -0.52 0.00 0.00 52.55 52.75 1pyg s ASP 633 Cb 0.02 -2.50 0.77 0.00 -1.46 0.00 0.00 42.92 39.76 1pyg s ASP 633 CO 0.03 -0.97 1.82 1.55 0.52 0.00 0.00 175.17 178.13 1pyg h PRO 634 N 8.63 0.72 0.00 4.34 0.13 -1.92 -2.29 132.00 141.61 1pyg h PRO 634 Ca -0.23 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1pyg h PRO 634 Cb 1.07 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1pyg h PRO 634 CO 1.03 0.48 0.00 -0.39 -0.23 0.00 0.00 178.00 178.88 1pyg h VAL 635 N 0.74 0.00 0.07 1.56 -1.51 -1.97 -2.78 116.25 112.36 1pyg h VAL 635 Ca 0.51 -0.28 -0.28 0.00 -1.23 0.00 0.00 66.70 65.42 1pyg h VAL 635 Cb 0.81 1.07 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1pyg h VAL 635 CO -0.28 0.00 -1.44 0.58 -1.23 0.00 0.00 177.57 175.20 1pyg h VAL 636 N 0.00 1.24 0.00 7.19 2.07 -1.75 -3.49 116.25 121.51 1pyg h VAL 636 Ca 0.00 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.60 1pyg h VAL 636 Cb 0.37 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1pyg h VAL 636 CO 0.00 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.00 1pyg n GLY 637 N 1.58 2.96 1.46 2.17 0.00 -1.05 -1.76 105.19 110.55 1pyg n GLY 637 Ca -0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 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 2.08 3.46 0.06 1.61 5.68 -1.26 -4.24 116.55 123.94 1pyg n ASP 638 Ca 0.00 -2.69 -0.15 0.00 -0.50 0.00 0.00 54.79 51.45 1pyg n ASP 638 Cb 0.00 -0.64 -0.14 0.00 -1.14 0.00 0.00 41.12 39.20 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 1.28 0.20 -3.98 0.11 3.08 -1.70 -3.44 114.38 109.92 1pyg h ARG 639 Ca 0.18 -0.34 -0.19 0.00 0.07 0.00 0.00 59.98 59.70 1pyg h ARG 639 Cb 1.67 0.13 -0.23 0.00 0.08 0.00 0.00 29.97 31.62 1pyg h ARG 639 CO 0.44 1.05 -0.71 -1.17 -1.07 0.00 0.00 179.97 178.51 1pyg s LEU 640 N -6.88 2.19 -0.27 3.04 2.96 -1.26 -0.16 118.68 118.31 1pyg s LEU 640 Ca -0.07 -0.40 -0.13 0.00 -0.22 0.00 0.00 54.13 53.31 1pyg s LEU 640 Cb 0.07 0.05 0.09 0.00 0.50 0.00 0.00 46.19 46.91 1pyg s LEU 640 CO 0.85 -0.23 0.63 -0.60 -1.32 0.00 0.00 176.35 175.68 1pyg s ARG 641 N -1.15 0.62 -0.19 1.98 6.06 -0.92 -4.76 118.95 120.58 1pyg s ARG 641 Ca -0.12 1.23 -0.03 0.00 -2.50 0.00 0.00 55.73 54.31 1pyg s ARG 641 Cb -0.08 0.33 -0.01 0.00 0.06 0.00 0.00 34.95 35.25 1pyg s ARG 641 CO -0.01 -0.17 -0.06 0.08 -2.50 0.00 0.00 175.30 172.65 1pyg s VAL 642 N 2.01 3.42 -0.04 7.11 1.01 -1.26 -0.93 120.40 131.72 1pyg s VAL 642 Ca -0.08 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1pyg s VAL 642 Cb -0.08 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1pyg s VAL 642 CO -0.18 0.45 -0.13 -0.63 0.00 0.00 0.00 175.10 174.61 1pyg s ILE 643 N 1.05 1.13 -0.27 2.22 1.01 -0.32 -4.63 121.20 121.38 1pyg s ILE 643 Ca 0.01 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 59.96 1pyg s ILE 643 Cb -0.15 -0.98 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 1pyg s ILE 643 CO -0.00 0.33 0.36 0.12 0.00 0.00 0.00 174.94 175.75 1pyg s PHE 644 N 0.12 3.25 -0.94 3.97 2.19 -1.25 -1.52 117.98 123.79 1pyg s PHE 644 Ca -0.04 0.39 -0.24 0.00 0.33 0.00 0.00 56.93 57.38 1pyg s PHE 644 Cb -0.10 -2.56 0.05 0.00 -1.31 0.00 0.00 43.02 39.10 1pyg s PHE 644 CO 0.01 -0.22 1.38 -0.51 1.83 0.00 0.00 175.22 177.71 1pyg s LEU 645 N 2.04 3.57 0.42 6.12 1.43 0.59 -4.94 118.68 127.90 1pyg s LEU 645 Ca 0.14 -1.27 -0.25 0.00 -1.03 0.00 0.00 54.13 51.72 1pyg s LEU 645 Cb -0.16 -2.55 -0.08 0.00 0.03 0.00 0.00 46.19 43.43 1pyg s LEU 645 CO 0.10 -1.54 1.27 -1.83 0.23 0.00 0.00 176.35 174.58 1pyg s GLU 646 N 4.94 3.92 -0.78 1.70 -1.05 -1.26 -4.02 118.70 122.15 1pyg s GLU 646 Ca 0.42 2.08 -0.01 0.00 -0.15 0.00 0.00 54.97 57.31 1pyg s GLU 646 Cb -0.03 -2.69 -0.01 0.00 -0.44 0.00 0.00 34.13 30.97 1pyg s GLU 646 CO -0.04 -0.51 0.71 -1.71 0.95 0.00 0.00 175.26 174.66 1pyg n ASN 647 N 0.01 -7.44 -4.71 0.83 5.15 -1.26 -4.93 115.26 102.91 1pyg n ASN 647 Ca 0.04 -0.21 -0.41 0.00 -0.60 0.00 0.00 54.58 53.40 1pyg n ASN 647 Cb 0.44 -4.99 -0.04 0.00 -0.53 0.00 0.00 39.78 34.67 1pyg n ASN 647 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1pyg s TYR 648 N -3.04 3.66 0.34 1.20 5.04 -1.26 -4.89 117.35 118.41 1pyg s TYR 648 Ca 0.05 1.62 -0.12 0.00 -2.44 0.00 0.00 57.07 56.18 1pyg s TYR 648 Cb -0.01 -3.04 0.03 0.00 0.35 0.00 0.00 41.96 39.29 1pyg s TYR 648 CO 0.76 0.04 0.64 -0.98 -1.34 0.00 0.00 175.55 174.68 1pyg s ARG 649 N 0.83 2.01 0.31 4.97 1.70 -1.26 -4.78 118.95 122.72 1pyg s ARG 649 Ca 0.48 -1.47 0.07 0.00 -0.47 0.00 0.00 55.73 54.34 1pyg s ARG 649 Cb -0.21 0.55 0.80 0.00 -0.57 0.00 0.00 34.95 35.52 1pyg s ARG 649 CO 0.26 -0.89 1.74 0.28 -1.08 0.00 0.00 175.30 175.61 1pyg h VAL 650 N 2.07 0.59 -0.61 4.99 2.07 -1.97 -0.03 116.25 123.36 1pyg h VAL 650 Ca -0.29 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1pyg h VAL 650 Cb 1.25 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1pyg h VAL 650 CO 0.38 0.11 0.39 0.28 0.02 0.00 0.00 177.57 178.75 1pyg h SER 651 N 0.61 0.66 0.31 0.57 0.02 -1.97 -2.00 113.55 111.75 1pyg h SER 651 Ca 0.60 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 61.33 1pyg h SER 651 Cb 1.07 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1pyg h SER 651 CO -0.45 0.47 -0.85 0.25 -1.14 0.00 0.00 176.83 175.11 1pyg h LEU 652 N 0.79 0.50 -0.64 5.07 5.85 -1.43 -3.05 115.31 122.40 1pyg h LEU 652 Ca 0.23 -0.38 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1pyg h LEU 652 Cb -0.05 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1pyg h LEU 652 CO -0.07 1.15 0.35 0.00 -0.34 0.00 0.00 178.44 179.54 1pyg h ALA 653 N 0.82 0.85 0.00 1.25 0.00 -0.56 1.00 119.26 122.63 1pyg h ALA 653 Ca -0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pyg h ALA 653 Cb 1.47 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1pyg h ALA 653 CO 0.15 0.03 -0.02 0.93 0.00 0.00 0.00 179.25 180.34 1pyg h GLU 654 N 0.66 0.00 0.00 0.00 5.08 -1.27 0.87 114.58 119.91 1pyg h GLU 654 Ca 0.29 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1pyg h GLU 654 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1pyg h GLU 654 CO -0.18 0.02 -0.18 0.87 -1.00 0.00 0.00 179.01 178.54 1pyg h LYS 655 N 0.00 0.00 -0.11 2.33 1.57 -0.82 -3.39 116.57 116.15 1pyg h LYS 655 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 1pyg h LYS 655 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1pyg h LYS 655 CO 0.00 0.08 -0.75 -0.24 -0.57 0.00 0.00 179.45 177.97 1pyg h VAL 656 N -1.00 1.33 -0.93 0.50 3.04 -0.64 -3.22 116.25 115.34 1pyg h VAL 656 Ca -0.01 -2.07 -0.00 0.00 -1.01 0.00 0.00 66.70 63.61 1pyg h VAL 656 Cb 0.23 2.06 -0.05 0.00 -2.01 0.00 0.00 31.29 31.52 1pyg h VAL 656 CO -0.01 0.64 0.58 0.40 -1.01 0.00 0.00 177.57 178.17 1pyg h ILE 657 N 0.39 1.25 0.00 3.17 2.04 -1.08 -1.54 117.51 121.74 1pyg h ILE 657 Ca -0.04 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1pyg h ILE 657 Cb 1.35 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 1pyg h ILE 657 CO 0.14 0.25 0.01 -0.65 0.00 0.00 0.00 178.15 177.90 1pyg h PRO 658 N 1.27 0.00 -0.25 2.37 0.11 -1.75 -2.86 132.00 130.88 1pyg h PRO 658 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 1pyg h PRO 658 Cb -0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.02 1pyg h PRO 658 CO -0.07 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.72 1pyg n ALA 659 N -2.00 2.93 -2.82 -0.75 0.00 -0.59 -4.77 120.51 112.50 1pyg n ALA 659 Ca -0.03 -2.27 -0.36 0.00 0.00 0.00 0.00 53.44 50.78 1pyg n ALA 659 Cb 0.07 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.75 3.70 -0.22 0.00 0.00 -1.08 -4.71 121.76 116.70 1pyg s ALA 660 Ca 0.41 -0.69 0.07 0.00 0.00 0.00 0.00 51.96 51.75 1pyg s ALA 660 Cb 0.33 -1.85 -0.18 0.00 0.00 0.00 0.00 23.12 21.42 1pyg s ALA 660 CO 0.09 0.58 -0.11 -0.25 0.00 0.00 0.00 175.76 176.06 1pyg n ASP 661 N 2.14 1.53 -4.04 0.00 8.00 0.24 -4.06 116.55 120.35 1pyg n ASP 661 Ca -0.19 -0.08 -0.27 0.00 0.71 0.00 0.00 54.79 54.95 1pyg n ASP 661 Cb 0.54 0.10 -0.17 0.00 -0.02 0.00 0.00 41.12 41.58 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 -6.02 1.67 -0.44 0.64 2.96 -0.23 -0.14 118.68 117.11 1pyg s LEU 662 Ca -0.24 -0.38 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 1pyg s LEU 662 Cb 0.07 -1.00 0.03 0.00 0.50 0.00 0.00 46.19 45.80 1pyg s LEU 662 CO 0.63 0.02 0.49 -0.55 -1.32 0.00 0.00 176.35 175.61 1pyg s SER 663 N 0.90 6.21 -0.78 3.68 0.15 0.10 -0.82 113.70 123.13 1pyg s SER 663 Ca -0.09 -0.76 -0.21 0.00 0.70 0.00 0.00 55.95 55.58 1pyg s SER 663 Cb -0.15 -2.24 0.09 0.00 -1.71 0.00 0.00 66.02 62.01 1pyg s SER 663 CO 0.00 -0.67 1.07 -1.61 1.20 0.00 0.00 173.24 173.23 1pyg s GLU 664 N 2.24 3.32 -0.99 5.44 0.41 -0.82 -1.65 118.70 126.66 1pyg s GLU 664 Ca 0.13 -1.17 -0.01 0.00 -0.41 0.00 0.00 54.97 53.51 1pyg s GLU 664 Cb -0.18 -4.56 0.32 0.00 -1.78 0.00 0.00 34.13 27.93 1pyg s GLU 664 CO 0.13 -1.84 1.71 1.04 -0.49 0.00 0.00 175.26 175.81 1pyg n GLN 665 N 7.43 5.15 -1.26 1.61 1.13 -0.34 -4.80 117.38 126.30 1pyg n GLN 665 Ca 0.09 -4.68 -0.30 0.00 -1.94 0.00 0.00 57.00 50.17 1pyg n GLN 665 Cb 0.47 -2.45 0.11 0.00 0.11 0.00 0.00 30.24 28.48 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 0.04 3.42 -2.53 5.09 -5.35 -1.26 -3.49 119.36 115.29 1pyg n ILE 666 Ca 0.44 -2.49 -0.32 0.00 -0.27 0.00 0.00 62.75 60.11 1pyg n ILE 666 Cb 0.28 -0.92 -0.03 0.00 -1.74 0.00 0.00 39.64 37.22 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 -1.53 6.60 0.15 7.28 0.01 -1.25 -4.62 113.70 120.33 1pyg s SER 667 Ca 0.60 1.45 -0.34 0.00 1.31 0.00 0.00 55.95 58.97 1pyg s SER 667 Cb 0.48 -2.46 -0.16 0.00 0.21 0.00 0.00 66.02 64.10 1pyg s SER 667 CO 0.03 -0.53 1.21 0.41 0.41 0.00 0.00 173.24 174.77 1pyg n THR 668 N -1.49 0.68 -1.92 1.44 -1.04 -1.19 -4.65 114.28 106.10 1pyg n THR 668 Ca 0.05 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.49 1pyg n THR 668 Cb 0.54 -0.85 -0.01 0.00 -1.82 0.00 0.00 70.33 68.19 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 -0.03 3.53 0.00 2.41 0.00 -1.26 -1.68 121.76 124.73 1pyg s ALA 669 Ca 0.76 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.17 1pyg s ALA 669 Cb -0.87 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 18.69 1pyg s ALA 669 CO 0.51 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.77 1pyg n GLY 670 N 0.59 3.09 0.19 0.00 0.00 -1.26 -4.74 105.19 103.06 1pyg n GLY 670 Ca 0.01 -0.92 0.14 0.00 0.00 0.00 0.00 46.02 45.25 1pyg n GLY 670 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pyg h THR 671 N 0.00 0.00 -3.38 2.61 1.35 -1.67 -3.45 112.91 108.38 1pyg h THR 671 Ca 0.00 -0.53 -0.66 0.00 -0.55 0.00 0.00 66.41 64.67 1pyg h THR 671 Cb 0.00 1.45 -0.13 0.00 -1.73 0.00 0.00 68.15 67.74 1pyg h THR 671 CO 0.00 0.00 -0.66 -0.70 -0.25 0.00 0.00 175.52 173.91 1pyg s GLU 672 N -3.35 2.66 -0.16 4.72 2.56 -1.26 -4.83 118.70 119.04 1pyg s GLU 672 Ca 0.05 -0.72 -0.06 0.00 0.00 0.00 0.00 54.97 54.24 1pyg s GLU 672 Cb 0.09 -2.60 -0.08 0.00 2.00 0.00 0.00 34.13 33.55 1pyg s GLU 672 CO 0.54 0.59 -0.20 0.00 -0.56 0.00 0.00 175.26 175.63 1pyg n ALA 673 N 1.06 1.88 -2.72 6.30 0.00 -1.26 -3.81 120.51 121.96 1pyg n ALA 673 Ca -0.13 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1pyg n ALA 673 Cb 0.52 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1pyg n ALA 673 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pyg n SER 674 N -3.59 0.00 0.00 0.00 2.88 -1.26 -4.35 113.62 107.30 1pyg n SER 674 Ca -0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 1pyg n SER 674 Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 2.55 -0.44 0.16 0.46 0.00 -1.26 -1.64 105.19 105.02 1pyg n GLY 675 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 46.02 46.33 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 1.17 -0.73 2.61 1.35 -1.97 -3.00 112.91 112.35 1pyg h THR 676 Ca 0.00 -1.94 0.03 0.00 -0.55 0.00 0.00 66.41 63.96 1pyg h THR 676 Cb 0.00 2.11 -0.04 0.00 -1.73 0.00 0.00 68.15 68.49 1pyg h THR 676 CO 0.00 0.51 0.48 1.23 -0.25 0.00 0.00 175.52 177.50 1pyg h GLY 677 N 2.12 1.01 0.55 5.82 0.00 -1.96 -0.95 103.07 109.66 1pyg h GLY 677 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 47.01 1pyg h GLY 677 CO 0.07 0.30 -0.15 3.43 0.00 0.00 0.00 176.54 180.19 1pyg h ASN 678 N 0.89 -0.45 -0.64 0.19 4.21 -1.93 -2.72 115.58 115.13 1pyg h ASN 678 Ca 0.29 0.08 0.06 0.00 1.21 0.00 0.00 56.30 57.93 1pyg h ASN 678 Cb 0.05 0.20 -0.05 0.00 -1.12 0.00 0.00 38.32 37.40 1pyg h ASN 678 CO -0.08 -0.20 0.35 0.24 -1.29 0.00 0.00 177.43 176.44 1pyg h MET 679 N -0.22 0.62 0.40 0.81 2.86 -1.18 -1.66 114.93 116.56 1pyg h MET 679 Ca 0.07 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1pyg h MET 679 Cb 0.32 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1pyg h MET 679 CO -0.19 0.41 -0.50 0.87 1.06 0.00 0.00 176.91 178.56 1pyg h LYS 680 N 0.64 -0.89 -0.97 1.72 6.56 -1.20 -0.49 116.57 121.93 1pyg h LYS 680 Ca 0.29 0.06 0.15 0.00 -1.06 0.00 0.00 60.65 60.09 1pyg h LYS 680 Cb 0.19 0.20 -0.09 0.00 -0.57 0.00 0.00 32.23 31.96 1pyg h LYS 680 CO -0.18 -0.60 0.61 0.74 -2.06 0.00 0.00 179.45 177.96 1pyg h PHE 681 N -0.93 1.01 0.38 -1.35 0.04 -1.14 -0.46 116.94 114.50 1pyg h PHE 681 Ca -0.05 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1pyg h PHE 681 Cb 0.83 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1pyg h PHE 681 CO -0.30 0.34 -0.18 1.98 -0.60 0.00 0.00 178.31 179.54 1pyg h MET 682 N 0.83 -0.49 -0.63 1.51 4.05 -0.55 -2.63 114.93 117.02 1pyg h MET 682 Ca 0.51 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 60.06 1pyg h MET 682 Cb 0.69 0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 1pyg h MET 682 CO -0.28 -0.29 0.42 1.25 0.23 0.00 0.00 176.91 178.24 1pyg h LEU 683 N -0.56 0.39 -3.57 3.39 6.46 0.38 -2.55 115.31 119.26 1pyg h LEU 683 Ca -0.05 0.01 -0.41 0.00 -0.12 0.00 0.00 57.88 57.31 1pyg h LEU 683 Cb 0.42 -0.07 -0.24 0.00 -0.73 0.00 0.00 40.66 40.04 1pyg h LEU 683 CO 0.09 0.23 0.52 0.59 -0.62 0.00 0.00 178.44 179.25 1pyg n ASN 684 N -4.47 3.85 -2.54 1.25 4.13 -0.33 -4.87 115.26 112.28 1pyg n ASN 684 Ca 0.11 -3.26 -0.18 0.00 1.68 0.00 0.00 54.58 52.92 1pyg n ASN 684 Cb 0.38 -0.78 0.04 0.00 -1.54 0.00 0.00 39.78 37.88 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 -0.75 -0.26 3.79 7.41 0.00 -0.96 -4.81 105.19 109.61 1pyg n GLY 685 Ca 0.47 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.09 3.60 0.51 4.61 0.00 -1.01 -4.82 121.76 121.56 1pyg s ALA 686 Ca 0.29 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 1pyg s ALA 686 Cb -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1pyg s ALA 686 CO 0.36 0.75 0.76 -0.51 0.00 0.00 0.00 175.76 177.11 1pyg s LEU 687 N -2.28 3.47 -0.01 0.00 1.43 0.80 -4.53 118.68 117.56 1pyg s LEU 687 Ca 0.29 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.83 1pyg s LEU 687 Cb -0.12 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1pyg s LEU 687 CO 0.21 -0.87 -0.17 -0.89 0.23 0.00 0.00 176.35 174.86 1pyg s THR 688 N -2.72 1.37 -0.01 5.49 2.01 -1.26 0.03 115.64 120.55 1pyg s THR 688 Ca 0.51 -0.74 0.07 0.00 0.31 0.00 0.00 61.69 61.85 1pyg s THR 688 Cb -0.10 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 1pyg s THR 688 CO 0.40 0.39 -0.24 -0.51 -0.69 0.00 0.00 174.62 173.97 1pyg s ILE 689 N -0.38 2.24 0.00 1.82 2.07 -0.66 -0.81 121.20 125.48 1pyg s ILE 689 Ca 0.06 -1.09 0.00 0.00 -1.41 0.00 0.00 60.65 58.21 1pyg s ILE 689 Cb -0.07 -1.81 0.00 0.00 0.13 0.00 0.00 42.46 40.71 1pyg s ILE 689 CO -0.01 0.55 0.00 0.61 -1.91 0.00 0.00 174.94 174.18 1pyg n GLY 690 N 2.31 0.63 3.90 1.50 0.00 -0.59 -1.20 105.19 111.75 1pyg n GLY 690 Ca -0.16 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 3.77 -1.18 2.61 -4.23 -1.23 -1.67 115.64 111.72 1pyg s THR 691 Ca 0.00 0.29 -0.16 0.00 -1.18 0.00 0.00 61.69 60.64 1pyg s THR 691 Cb 0.00 -3.53 0.13 0.00 1.34 0.00 0.00 72.50 70.45 1pyg s THR 691 CO 0.00 -0.62 1.46 -0.32 -0.54 0.00 0.00 174.62 174.60 1pyg s MET 692 N -5.14 3.97 0.26 3.99 1.75 -1.26 -4.83 119.30 118.03 1pyg s MET 692 Ca 0.55 -2.24 -0.19 0.00 -1.25 0.00 0.00 55.69 52.56 1pyg s MET 692 Cb -0.11 -5.17 0.02 0.00 2.84 0.00 0.00 34.83 32.41 1pyg s MET 692 CO 0.49 -1.91 0.64 0.34 -0.65 0.00 0.00 175.02 173.93 1pyg s ASP 693 N 3.39 -0.24 0.60 1.11 2.15 -1.26 -4.61 116.67 117.81 1pyg s ASP 693 Ca 0.44 -0.64 0.00 0.00 0.43 0.00 0.00 52.55 52.78 1pyg s ASP 693 Cb -0.01 0.68 0.00 0.00 -0.30 0.00 0.00 42.92 43.28 1pyg s ASP 693 CO -0.00 -1.25 0.00 0.61 -0.17 0.00 0.00 175.17 174.36 1pyg n GLY 694 N -0.43 2.87 0.32 2.66 0.00 -1.25 -2.10 105.19 107.28 1pyg n GLY 694 Ca -0.05 -0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.30 1.74 -1.00 4.61 0.00 -1.51 -3.05 119.26 119.76 1pyg h ALA 695 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1pyg h ALA 695 Cb 0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.55 1pyg h ALA 695 CO 0.00 0.21 0.64 -0.91 0.00 0.00 0.00 179.25 179.19 1pyg h ASN 696 N 0.59 0.99 0.16 0.00 2.35 -1.73 -1.04 115.58 116.91 1pyg h ASN 696 Ca 0.20 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.98 1pyg h ASN 696 Cb 0.07 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 1pyg h ASN 696 CO -0.05 0.60 -0.41 0.58 -1.65 0.00 0.00 177.43 176.50 1pyg h VAL 697 N 1.11 0.00 -0.08 2.81 2.07 -1.54 0.40 116.25 121.02 1pyg h VAL 697 Ca 0.45 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.81 1pyg h VAL 697 Cb 0.27 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1pyg h VAL 697 CO -0.20 0.00 -0.63 -0.33 0.02 0.00 0.00 177.57 176.43 1pyg h GLU 698 N -0.63 0.31 -0.67 1.57 5.08 -1.71 -0.22 114.58 118.30 1pyg h GLU 698 Ca -0.01 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1pyg h GLU 698 Cb 0.61 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 1pyg h GLU 698 CO -0.19 0.84 0.32 0.52 -1.00 0.00 0.00 179.01 179.51 1pyg h MET 699 N 0.23 0.96 -0.26 2.33 2.86 -1.01 -2.02 114.93 118.02 1pyg h MET 699 Ca -0.01 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.36 1pyg h MET 699 Cb 1.16 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.65 1pyg h MET 699 CO 0.10 0.76 -0.35 0.00 1.06 0.00 0.00 176.91 178.49 1pyg h ALA 700 N 1.15 0.40 -0.03 6.32 0.00 0.26 -0.06 119.26 127.31 1pyg h ALA 700 Ca 0.23 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1pyg h ALA 700 Cb 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pyg h ALA 700 CO -0.03 0.46 0.03 1.49 0.00 0.00 0.00 179.25 181.20 1pyg h GLU 701 N 0.43 0.00 0.11 0.00 4.81 -1.03 0.51 114.58 119.40 1pyg h GLU 701 Ca 0.03 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.89 1pyg h GLU 701 Cb 0.93 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1pyg h GLU 701 CO 0.08 0.00 -2.06 -1.91 -0.73 0.00 0.00 179.01 174.40 1pyg n GLU 702 N -3.79 0.74 0.11 1.92 4.07 -0.76 -4.35 120.64 118.57 1pyg n GLU 702 Ca -0.02 0.25 -0.18 0.00 -0.06 0.00 0.00 57.16 57.15 1pyg n GLU 702 Cb 0.12 -1.68 -0.14 0.00 -0.06 0.00 0.00 31.44 29.67 1pyg n GLU 702 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1pyg h ALA 703 N 0.05 0.08 0.00 4.31 0.00 -0.65 -3.46 119.26 119.59 1pyg h ALA 703 Ca -0.44 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1pyg h ALA 703 Cb 2.01 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1pyg h ALA 703 CO 0.06 0.95 0.00 0.41 0.00 0.00 0.00 179.25 180.67 1pyg n GLY 704 N 1.59 2.24 0.37 0.00 0.00 0.17 -4.77 105.19 104.80 1pyg n GLY 704 Ca -0.12 -1.24 0.17 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.79 1.61 4.81 -1.90 0.28 114.58 118.59 1pyg h GLU 705 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1pyg h GLU 705 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1pyg h GLU 705 CO 0.00 0.00 0.33 0.93 -0.73 0.00 0.00 179.01 179.54 1pyg h GLU 706 N 0.00 1.17 0.00 1.92 3.07 -1.91 -2.48 114.58 116.35 1pyg h GLU 706 Ca 0.12 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1pyg h GLU 706 Cb 1.11 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1pyg h GLU 706 CO -0.00 0.94 0.00 0.09 -1.40 0.00 0.00 179.01 178.64 1pyg n ASN 707 N -4.30 0.00 -4.43 1.42 3.02 0.98 -4.80 115.26 107.13 1pyg n ASN 707 Ca 0.07 -1.76 -0.22 0.00 -0.03 0.00 0.00 54.58 52.64 1pyg n ASN 707 Cb 0.18 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.24 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 -2.00 1.99 -0.80 3.10 0.40 -0.93 -4.77 117.98 114.97 1pyg s PHE 708 Ca 0.08 -0.65 0.02 0.00 -0.60 0.00 0.00 56.93 55.78 1pyg s PHE 708 Cb 0.04 -1.10 0.31 0.00 0.51 0.00 0.00 43.02 42.77 1pyg s PHE 708 CO 0.06 0.34 1.21 1.19 0.70 0.00 0.00 175.22 178.72 1pyg n PHE 709 N -0.59 3.31 -2.13 0.36 3.72 0.01 -4.99 117.46 117.15 1pyg n PHE 709 Ca -0.06 -3.43 -0.41 0.00 -0.05 0.00 0.00 57.45 53.50 1pyg n PHE 709 Cb 0.63 -0.82 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 1pyg n PHE 709 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1pyg s ILE 710 N -3.63 2.96 0.04 4.37 -1.09 -1.25 -1.53 121.20 121.06 1pyg s ILE 710 Ca 0.41 0.81 -0.13 0.00 -2.23 0.00 0.00 60.65 59.51 1pyg s ILE 710 Cb 0.18 -3.52 0.02 0.00 -1.58 0.00 0.00 42.46 37.56 1pyg s ILE 710 CO -0.06 0.13 0.29 0.72 -1.23 0.00 0.00 174.94 174.79 1pyg s PHE 711 N -0.04 -0.09 0.00 3.97 -0.71 -0.67 -4.92 117.98 115.53 1pyg s PHE 711 Ca 0.57 -0.04 0.00 0.00 -1.04 0.00 0.00 56.93 56.42 1pyg s PHE 711 Cb -0.39 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.50 1pyg s PHE 711 CO 0.41 -0.48 0.00 0.41 -1.34 0.00 0.00 175.22 174.22 1pyg n GLY 712 N 0.65 -2.09 3.68 1.99 0.00 -1.26 -4.34 105.19 103.83 1pyg n GLY 712 Ca -0.19 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.12 4.24 0.99 1.61 -1.94 -1.26 -4.85 119.30 117.97 1pyg s MET 713 Ca 0.00 2.08 -0.12 0.00 -1.71 0.00 0.00 55.69 55.94 1pyg s MET 713 Cb 0.00 -3.64 0.18 0.00 2.01 0.00 0.00 34.83 33.39 1pyg s MET 713 CO 0.00 -0.66 1.10 1.03 -0.01 0.00 0.00 175.02 176.49 1pyg s ARG 714 N 2.70 0.51 0.23 2.03 1.81 -1.26 -4.27 118.95 120.69 1pyg s ARG 714 Ca 0.67 0.44 -0.07 0.00 -1.72 0.00 0.00 55.73 55.06 1pyg s ARG 714 Cb -0.34 -1.75 0.33 0.00 -0.45 0.00 0.00 34.95 32.74 1pyg s ARG 714 CO 0.28 -2.66 1.79 -0.24 -0.68 0.00 0.00 175.30 173.79 1pyg h VAL 715 N -1.84 0.87 -0.92 3.52 3.04 -1.85 -0.08 116.25 118.99 1pyg h VAL 715 Ca -0.54 -0.22 0.24 0.00 -1.01 0.00 0.00 66.70 65.18 1pyg h VAL 715 Cb 1.33 0.18 -0.13 0.00 -2.01 0.00 0.00 31.29 30.67 1pyg h VAL 715 CO 0.59 0.12 0.42 -0.33 -1.01 0.00 0.00 177.57 177.35 1pyg h GLU 716 N 0.63 0.37 0.00 4.17 3.07 -1.97 0.19 114.58 121.04 1pyg h GLU 716 Ca 0.35 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.10 1pyg h GLU 716 Cb 0.34 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.16 1pyg h GLU 716 CO -0.25 0.24 -0.43 -0.44 -1.40 0.00 0.00 179.01 176.73 1pyg h ASP 717 N 0.38 0.00 0.70 1.42 3.32 -1.35 -2.75 116.42 118.14 1pyg h ASP 717 Ca 0.60 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.39 1pyg h ASP 717 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.70 1pyg h ASP 717 CO -0.56 0.43 -1.40 -0.37 -1.72 0.00 0.00 179.24 175.62 1pyg h VAL 718 N 0.00 1.23 -0.31 -1.35 -1.51 -0.46 -3.00 116.25 110.84 1pyg h VAL 718 Ca -0.00 -3.01 0.00 0.00 -1.23 0.00 0.00 66.70 62.46 1pyg h VAL 718 Cb 1.19 2.62 -0.02 0.00 -2.13 0.00 0.00 31.29 32.96 1pyg h VAL 718 CO 0.06 0.71 0.20 0.44 -1.23 0.00 0.00 177.57 177.75 1pyg h ASP 719 N 0.00 0.36 -0.71 4.19 3.32 -1.18 -0.16 116.42 122.24 1pyg h ASP 719 Ca -0.17 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 56.99 1pyg h ASP 719 Cb 1.91 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 41.33 1pyg h ASP 719 CO 0.11 0.27 0.47 -0.09 -1.72 0.00 0.00 179.24 178.27 1pyg h ARG 720 N 0.42 0.46 -0.09 3.56 2.43 -1.54 0.21 114.38 119.83 1pyg h ARG 720 Ca 0.11 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1pyg h ARG 720 Cb -0.04 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1pyg h ARG 720 CO -0.02 0.30 -0.30 1.25 -1.51 0.00 0.00 179.97 179.69 1pyg h LEU 721 N 0.47 0.42 -1.73 3.80 5.85 -1.19 -0.97 115.31 121.96 1pyg h LEU 721 Ca 0.34 -0.62 -0.00 0.00 0.84 0.00 0.00 57.88 58.43 1pyg h LEU 721 Cb 0.67 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1pyg h LEU 721 CO -0.11 0.96 0.12 0.44 -0.34 0.00 0.00 178.44 179.52 1pyg h ASP 722 N -0.11 0.26 -0.14 1.25 3.32 0.47 0.37 116.42 121.84 1pyg h ASP 722 Ca -0.01 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 1pyg h ASP 722 Cb 0.94 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 1pyg h ASP 722 CO 0.06 0.21 -0.43 1.56 -1.72 0.00 0.00 179.24 178.93 1pyg h GLN 723 N 0.31 0.69 0.00 3.56 4.20 -0.40 -3.13 115.11 120.33 1pyg h GLN 723 Ca 0.08 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.42 1pyg h GLN 723 Cb 0.01 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1pyg h GLN 723 CO -0.01 0.99 -0.80 2.89 -0.67 0.00 0.00 178.83 181.22 1pyg n ARG 724 N -4.02 0.25 -0.41 1.46 1.85 -0.39 -5.04 116.66 110.36 1pyg n ARG 724 Ca -0.02 0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 1pyg n ARG 724 Cb 0.55 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 30.34 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 1.37 -0.69 3.69 2.89 0.00 0.12 -4.97 105.19 107.60 1pyg n GLY 725 Ca 0.03 -0.83 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 0.00 3.22 -0.17 1.61 5.04 -1.17 -4.91 117.35 120.96 1pyg s TYR 726 Ca 0.00 1.21 0.01 0.00 -2.44 0.00 0.00 57.07 55.85 1pyg s TYR 726 Cb 0.00 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.91 1pyg s TYR 726 CO 0.00 -1.35 -0.16 1.21 -1.34 0.00 0.00 175.55 173.91 1pyg s ASN 727 N 1.43 3.02 0.46 4.32 3.84 -1.26 -5.01 114.94 121.74 1pyg s ASN 727 Ca 0.57 -0.64 0.26 0.00 0.21 0.00 0.00 52.86 53.25 1pyg s ASN 727 Cb -0.26 -1.31 1.04 0.00 -0.55 0.00 0.00 41.25 40.17 1pyg s ASN 727 CO 0.23 -0.05 1.87 0.00 -2.79 0.00 0.00 177.10 176.37 1pyg h ALA 728 N 7.99 1.05 0.00 1.71 0.00 -1.90 -3.04 119.26 125.06 1pyg h ALA 728 Ca -0.39 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1pyg h ALA 728 Cb 1.13 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1pyg h ALA 728 CO 0.56 0.24 -0.24 0.37 0.00 0.00 0.00 179.25 180.17 1pyg h GLN 729 N 0.00 0.00 0.00 0.00 5.75 -1.95 -1.50 115.11 117.41 1pyg h GLN 729 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1pyg h GLN 729 Cb 0.67 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.22 1pyg h GLN 729 CO 0.02 0.24 0.00 0.93 -2.65 0.00 0.00 178.83 177.38 1pyg h GLU 730 N 0.00 0.00 0.03 1.69 5.08 -1.96 -1.45 114.58 117.96 1pyg h GLU 730 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1pyg h GLU 730 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1pyg h GLU 730 CO 0.03 0.00 -1.52 0.66 -1.00 0.00 0.00 179.01 177.18 1pyg n TYR 731 N -2.49 1.00 0.00 4.33 4.01 -0.58 -2.71 117.16 120.72 1pyg n TYR 731 Ca 0.00 0.37 -0.10 0.00 -0.16 0.00 0.00 57.90 58.01 1pyg n TYR 731 Cb 0.16 -1.11 -0.03 0.00 -0.31 0.00 0.00 39.34 38.05 1pyg n TYR 731 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1pyg h TYR 732 N -0.75 -0.68 0.35 -0.72 5.03 -1.30 0.24 116.97 119.15 1pyg h TYR 732 Ca -0.39 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.93 1pyg h TYR 732 Cb 1.49 0.32 0.00 0.00 1.55 0.00 0.00 36.73 40.10 1pyg h TYR 732 CO 0.08 -0.33 -0.17 -0.44 -1.32 0.00 0.00 178.16 175.98 1pyg h ASP 733 N -0.32 -0.40 0.55 -2.11 3.32 -1.46 -2.94 116.42 113.06 1pyg h ASP 733 Ca 0.10 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1pyg h ASP 733 Cb 0.47 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1pyg h ASP 733 CO -0.31 -0.21 0.00 0.03 -1.72 0.00 0.00 179.24 177.03 1pyg h ARG 734 N -0.58 0.00 -4.26 3.56 2.47 -1.30 -3.42 114.38 110.86 1pyg h ARG 734 Ca -0.05 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.02 1pyg h ARG 734 Cb 0.43 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 28.34 1pyg h ARG 734 CO 0.08 0.00 -0.70 0.42 0.56 0.00 0.00 179.97 180.33 1pyg s ILE 735 N -3.77 2.26 0.26 2.04 1.01 0.84 -5.00 121.20 118.85 1pyg s ILE 735 Ca -0.01 -2.55 -0.03 0.00 0.00 0.00 0.00 60.65 58.07 1pyg s ILE 735 Cb 0.10 -2.64 0.27 0.00 0.01 0.00 0.00 42.46 40.19 1pyg s ILE 735 CO 0.44 -0.66 1.88 -0.65 0.00 0.00 0.00 174.94 175.96 1pyg h PRO 736 N 7.33 1.15 -0.73 2.79 0.11 -1.82 -0.50 132.00 140.33 1pyg h PRO 736 Ca -0.05 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 1pyg h PRO 736 Cb 0.98 -0.26 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 1pyg h PRO 736 CO 0.56 0.76 0.31 0.93 -0.21 0.00 0.00 178.00 180.35 1pyg h GLU 737 N 1.19 1.07 0.14 1.05 5.08 -1.94 -1.50 114.58 119.67 1pyg h GLU 737 Ca 0.43 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1pyg h GLU 737 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1pyg h GLU 737 CO -0.17 0.87 -0.07 1.25 -1.00 0.00 0.00 179.01 179.89 1pyg h LEU 738 N 1.03 -0.16 -1.03 1.33 5.85 -1.48 -2.78 115.31 118.07 1pyg h LEU 738 Ca 0.24 -0.16 0.22 0.00 0.84 0.00 0.00 57.88 59.03 1pyg h LEU 738 Cb 0.18 0.04 -0.12 0.00 0.37 0.00 0.00 40.66 41.13 1pyg h LEU 738 CO -0.02 0.06 0.61 -0.09 -0.34 0.00 0.00 178.44 178.65 1pyg h ARG 739 N -0.39 0.63 -0.02 1.25 2.43 -1.18 -0.04 114.38 117.07 1pyg h ARG 739 Ca -0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1pyg h ARG 739 Cb 0.31 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1pyg h ARG 739 CO 0.03 0.41 0.01 0.37 -1.51 0.00 0.00 179.97 179.29 1pyg h GLN 740 N 0.65 0.02 0.28 0.20 4.15 -1.03 -0.55 115.11 118.83 1pyg h GLN 740 Ca 0.62 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 60.03 1pyg h GLN 740 Cb 1.11 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1pyg h GLN 740 CO -0.43 0.10 -0.23 0.82 -1.93 0.00 0.00 178.83 177.16 1pyg h ILE 741 N -0.06 0.51 0.00 2.39 2.04 -0.77 -0.64 117.51 120.98 1pyg h ILE 741 Ca 0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1pyg h ILE 741 Cb 0.08 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1pyg h ILE 741 CO -0.00 0.00 -0.17 0.40 0.00 0.00 0.00 178.15 178.38 1pyg h ILE 742 N -0.52 1.11 -0.37 -0.67 5.03 -1.25 0.98 117.51 121.82 1pyg h ILE 742 Ca -0.02 -0.58 0.01 0.00 -0.12 0.00 0.00 64.86 64.15 1pyg h ILE 742 Cb 0.47 1.32 -0.02 0.00 -3.03 0.00 0.00 36.82 35.55 1pyg h ILE 742 CO -0.02 0.17 0.24 -0.33 -0.68 0.00 0.00 178.15 177.52 1pyg h GLU 743 N 0.00 0.47 -0.02 2.37 5.08 -0.45 -0.09 114.58 121.93 1pyg h GLU 743 Ca -0.00 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1pyg h GLU 743 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1pyg h GLU 743 CO 0.02 0.31 -0.09 1.96 -1.00 0.00 0.00 179.01 180.21 1pyg h GLN 744 N 0.48 -0.14 -0.46 2.33 4.20 0.68 0.16 115.11 122.36 1pyg h GLN 744 Ca 0.14 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.87 1pyg h GLN 744 Cb -0.04 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1pyg h GLN 744 CO -0.04 -0.09 0.28 -0.07 -0.67 0.00 0.00 178.83 178.25 1pyg h LEU 745 N -0.14 0.47 -0.87 1.46 3.38 -0.98 -1.64 115.31 116.99 1pyg h LEU 745 Ca 0.04 -0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 1pyg h LEU 745 Cb 0.20 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pyg h LEU 745 CO -0.11 0.34 -0.33 0.28 0.09 0.00 0.00 178.44 178.71 1pyg h SER 746 N 0.57 0.46 -0.07 -0.43 0.02 -0.42 -3.15 113.55 110.53 1pyg h SER 746 Ca 0.18 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pyg h SER 746 Cb -0.02 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1pyg h SER 746 CO -0.07 0.76 0.00 -1.54 -1.14 0.00 0.00 176.83 174.84 1pyg n SER 747 N -4.08 0.51 -0.06 3.07 3.41 -0.01 -4.72 113.62 111.75 1pyg n SER 747 Ca -0.01 -2.01 -0.01 0.00 -0.26 0.00 0.00 58.87 56.58 1pyg n SER 747 Cb 0.45 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.57 0.48 0.21 5.00 0.00 -1.15 -4.90 105.19 105.40 1pyg n GLY 748 Ca 0.03 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.64 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 0.42 -0.39 1.61 3.57 -1.54 -0.02 116.94 120.60 1pyg h PHE 749 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1pyg h PHE 749 Cb 0.11 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1pyg h PHE 749 CO 0.06 0.18 0.00 1.19 -2.23 0.00 0.00 178.31 177.51 1pyg n PHE 750 N -4.93 0.93 -2.72 0.41 3.72 -1.26 -4.43 117.46 109.18 1pyg n PHE 750 Ca 0.05 -0.36 -0.03 0.00 -0.05 0.00 0.00 57.45 57.06 1pyg n PHE 750 Cb 0.17 -0.18 0.10 0.00 -0.94 0.00 0.00 39.48 38.63 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 0.57 -0.52 -0.25 4.37 3.41 -0.08 -4.67 113.62 116.45 1pyg n SER 751 Ca 0.16 -2.27 -0.02 0.00 -0.26 0.00 0.00 58.87 56.47 1pyg n SER 751 Cb 0.60 0.35 0.16 0.00 -0.26 0.00 0.00 64.21 65.06 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 1.79 1.07 -0.07 4.33 0.13 -1.62 0.36 132.00 137.99 1pyg h PRO 752 Ca -0.31 -0.13 0.01 0.00 -0.87 0.00 0.00 66.00 64.70 1pyg h PRO 752 Cb 1.28 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1pyg h PRO 752 CO -0.01 0.80 0.05 1.57 -0.23 0.00 0.00 178.00 180.19 1pyg h LYS 753 N 1.08 0.04 -2.42 0.86 -0.00 -1.96 -3.34 116.57 110.83 1pyg h LYS 753 Ca 0.27 -0.00 -0.45 0.00 -0.00 0.00 0.00 60.65 60.46 1pyg h LYS 753 Cb 0.06 -0.01 -0.36 0.00 -0.00 0.00 0.00 32.23 31.92 1pyg h LYS 753 CO -0.04 0.03 -0.74 1.14 -0.00 0.00 0.00 179.45 179.84 1pyg s GLN 754 N -5.10 0.38 0.46 0.07 -2.07 0.13 -5.06 119.66 108.46 1pyg s GLN 754 Ca -0.05 -0.63 0.20 0.00 -1.82 0.00 0.00 55.36 53.06 1pyg s GLN 754 Cb 0.17 -0.97 1.13 0.00 -1.09 0.00 0.00 33.01 32.25 1pyg s GLN 754 CO 0.68 -1.09 1.98 -1.00 -1.32 0.00 0.00 175.29 174.54 1pyg h PRO 755 N 7.86 0.00 -0.68 9.60 0.13 -1.67 -3.15 132.00 144.09 1pyg h PRO 755 Ca -0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.99 1pyg h PRO 755 Cb 1.03 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.13 1pyg h PRO 755 CO 0.33 0.20 0.07 -0.40 -0.23 0.00 0.00 178.00 177.97 1pyg n ASP 756 N -3.93 4.95 -0.22 1.44 5.75 -1.26 -2.94 116.55 120.34 1pyg n ASP 756 Ca -0.02 -2.88 0.03 0.00 -0.01 0.00 0.00 54.79 51.91 1pyg n ASP 756 Cb 0.29 -0.68 0.14 0.00 -1.03 0.00 0.00 41.12 39.84 1pyg n ASP 756 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1pyg h LEU 757 N 3.17 0.05 -3.56 -2.12 5.85 -1.90 -2.05 115.31 114.76 1pyg h LEU 757 Ca 0.07 0.12 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 1pyg h LEU 757 Cb 1.89 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 43.00 1pyg h LEU 757 CO 0.49 0.01 0.13 0.49 -0.34 0.00 0.00 178.44 179.23 1pyg n PHE 758 N -5.11 1.89 0.19 1.25 3.72 -1.26 -4.47 117.46 113.66 1pyg n PHE 758 Ca 0.11 -1.10 0.06 0.00 -0.05 0.00 0.00 57.45 56.48 1pyg n PHE 758 Cb 0.37 -0.55 0.55 0.00 -0.94 0.00 0.00 39.48 38.91 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 2.49 0.14 -0.21 -1.08 1.79 -1.69 -0.25 116.57 117.75 1pyg h LYS 759 Ca 0.16 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.56 1pyg h LYS 759 Cb 2.00 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.61 1pyg h LYS 759 CO 0.54 0.14 -0.11 -0.44 -1.08 0.00 0.00 179.45 178.50 1pyg h ASP 760 N 0.14 0.31 0.28 0.86 3.32 -1.82 -0.35 116.42 119.16 1pyg h ASP 760 Ca 0.03 -0.07 -0.32 0.00 0.02 0.00 0.00 57.03 56.70 1pyg h ASP 760 Cb 0.08 -0.08 0.03 0.00 0.22 0.00 0.00 39.33 39.58 1pyg h ASP 760 CO -0.00 0.46 -1.37 0.16 -1.72 0.00 0.00 179.24 176.78 1pyg h ILE 761 N 0.31 1.32 0.81 0.35 3.07 -1.42 -2.92 117.51 119.04 1pyg h ILE 761 Ca 0.06 -2.68 -0.04 0.00 1.55 0.00 0.00 64.86 63.76 1pyg h ILE 761 Cb 0.40 2.91 0.00 0.00 -0.27 0.00 0.00 36.82 39.86 1pyg h ILE 761 CO 0.02 0.80 -0.44 0.58 -1.05 0.00 0.00 178.15 178.06 1pyg h VAL 762 N 0.18 0.11 -0.70 0.16 2.07 -1.01 0.57 116.25 117.63 1pyg h VAL 762 Ca -0.22 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.42 1pyg h VAL 762 Cb 2.06 0.11 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 1pyg h VAL 762 CO 0.25 0.00 0.30 -1.13 0.02 0.00 0.00 177.57 177.01 1pyg h ASN 763 N -1.16 0.32 -0.05 0.57 -0.73 -1.21 -1.66 115.58 111.67 1pyg h ASN 763 Ca -0.11 0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 1pyg h ASN 763 Cb 0.91 0.05 -0.00 0.00 0.27 0.00 0.00 38.32 39.54 1pyg h ASN 763 CO 0.15 0.16 0.03 -0.03 -0.37 0.00 0.00 177.43 177.37 1pyg h MET 764 N 0.48 0.07 -0.61 6.67 4.05 -1.24 -0.65 114.93 123.70 1pyg h MET 764 Ca 0.36 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.87 1pyg h MET 764 Cb 0.48 -0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.19 1pyg h MET 764 CO -0.34 0.14 0.22 -0.07 0.23 0.00 0.00 176.91 177.09 1pyg h LEU 765 N -0.02 0.20 -0.64 3.39 3.38 -0.40 0.31 115.31 121.53 1pyg h LEU 765 Ca 0.02 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1pyg h LEU 765 Cb 0.09 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1pyg h LEU 765 CO -0.00 0.12 -0.12 0.24 0.09 0.00 0.00 178.44 178.77 1pyg h MET 766 N 0.39 0.00 0.00 1.13 2.86 -1.20 -3.39 114.93 114.72 1pyg h MET 766 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1pyg h MET 766 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1pyg h MET 766 CO -0.32 0.12 0.00 0.72 1.06 0.00 0.00 176.91 178.48 1pyg n HIS 767 N -3.17 0.00 -1.91 -0.22 8.25 -0.26 -4.57 115.22 113.33 1pyg n HIS 767 Ca 0.02 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 1pyg n HIS 767 Cb 0.47 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.64 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 0.00 -2.24 4.41 8.25 0.99 -5.02 115.22 121.61 1pyg n HIS 768 Ca 0.00 -0.51 -0.32 0.00 -0.26 0.00 0.00 57.72 56.63 1pyg n HIS 768 Cb 0.00 -0.12 -0.04 0.00 1.12 0.00 0.00 29.99 30.95 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 -1.90 5.65 0.33 0.41 -1.08 -0.58 -4.82 116.67 114.67 1pyg s ASP 769 Ca 0.20 -1.34 0.22 0.00 -0.52 0.00 0.00 52.55 51.11 1pyg s ASP 769 Cb 0.20 -2.57 1.20 0.00 -1.46 0.00 0.00 42.92 40.29 1pyg s ASP 769 CO -0.05 -2.34 1.68 0.54 0.52 0.00 0.00 175.17 175.52 1pyg n ARG 770 N 8.66 0.14 -0.13 4.34 1.74 -1.26 -2.95 116.66 127.20 1pyg n ARG 770 Ca 0.41 0.64 0.04 0.00 -0.77 0.00 0.00 57.85 58.17 1pyg n ARG 770 Cb 0.48 -1.97 0.11 0.00 -1.02 0.00 0.00 32.46 30.06 1pyg n ARG 770 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1pyg n PHE 771 N -2.27 0.33 -3.91 -1.55 3.72 -1.26 -5.02 117.46 107.49 1pyg n PHE 771 Ca -0.01 -0.53 -0.30 0.00 -0.05 0.00 0.00 57.45 56.56 1pyg n PHE 771 Cb 0.04 -0.05 -0.00 0.00 -0.94 0.00 0.00 39.48 38.52 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 0.11 -2.11 -0.28 -1.08 5.02 -1.15 -4.64 118.16 114.02 1pyg n LYS 772 Ca 0.08 0.35 -0.02 0.00 -2.02 0.00 0.00 58.31 56.71 1pyg n LYS 772 Cb 0.40 -4.08 0.10 0.00 -0.02 0.00 0.00 35.03 31.42 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 -1.95 1.11 -0.72 -0.18 2.07 -1.93 -2.80 116.25 111.86 1pyg h VAL 773 Ca -0.65 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 1pyg h VAL 773 Cb 1.38 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1pyg h VAL 773 CO 0.57 0.18 0.28 -0.26 0.02 0.00 0.00 177.57 178.36 1pyg h PHE 774 N 0.97 1.10 0.00 1.57 0.04 -1.91 -1.31 116.94 117.40 1pyg h PHE 774 Ca 0.32 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1pyg h PHE 774 Cb 0.02 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 37.84 1pyg h PHE 774 CO -0.03 0.85 0.00 0.00 -0.60 0.00 0.00 178.31 178.53 1pyg h ALA 775 N 1.13 1.00 -0.14 2.45 0.00 -1.89 -1.83 119.26 120.00 1pyg h ALA 775 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1pyg h ALA 775 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 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 -2.30 2.19 0.02 0.00 8.00 -0.55 -4.79 116.55 119.12 1pyg n ASP 776 Ca -0.00 -1.72 -0.01 0.00 0.71 0.00 0.00 54.79 53.76 1pyg n ASP 776 Cb 0.12 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.12 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 1.29 -0.10 -0.28 1.24 3.20 -0.78 -0.90 116.97 120.64 1pyg h TYR 777 Ca 0.00 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1pyg h TYR 777 Cb 0.51 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.76 1pyg h TYR 777 CO 0.09 -0.04 -0.03 0.93 -1.64 0.00 0.00 178.16 177.46 1pyg h GLU 778 N -0.07 0.04 -0.32 1.82 5.08 -1.89 0.53 114.58 119.78 1pyg h GLU 778 Ca -0.00 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1pyg h GLU 778 Cb 0.06 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1pyg h GLU 778 CO -0.01 0.03 0.23 1.49 -1.00 0.00 0.00 179.01 179.75 1pyg h GLU 779 N 0.05 0.07 0.07 2.33 4.57 -1.89 -1.07 114.58 118.69 1pyg h GLU 779 Ca 0.13 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1pyg h GLU 779 Cb 0.19 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1pyg h GLU 779 CO -0.25 0.04 -0.03 -0.92 -1.18 0.00 0.00 179.01 176.67 1pyg h TYR 780 N 0.07 -0.08 -0.90 0.92 3.20 0.54 -1.90 116.97 118.80 1pyg h TYR 780 Ca 0.15 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1pyg h TYR 780 Cb 0.51 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.75 1pyg h TYR 780 CO -0.00 0.50 0.59 0.28 -1.64 0.00 0.00 178.16 177.88 1pyg h VAL 781 N -0.78 1.04 -0.52 1.81 2.07 -1.01 0.12 116.25 118.98 1pyg h VAL 781 Ca -0.01 -0.34 -0.10 0.00 0.82 0.00 0.00 66.70 67.06 1pyg h VAL 781 Cb 0.62 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1pyg h VAL 781 CO 0.01 0.18 -0.08 0.11 0.02 0.00 0.00 177.57 177.81 1pyg h LYS 782 N 1.00 0.98 -0.78 1.57 1.57 -1.27 -2.28 116.57 117.36 1pyg h LYS 782 Ca 0.40 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1pyg h LYS 782 Cb 0.24 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1pyg h LYS 782 CO -0.15 1.03 0.33 0.00 -0.57 0.00 0.00 179.45 180.08 1pyg h GLN 784 N 1.12 0.00 -0.28 0.00 1.08 -0.66 0.13 115.11 116.50 1pyg h GLN 784 Ca 0.26 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.27 1pyg h GLN 784 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1pyg h GLN 784 CO -0.03 0.09 -0.55 0.93 -0.95 0.00 0.00 178.83 178.32 1pyg h GLU 785 N 0.00 0.88 -0.11 1.46 5.08 -0.71 -1.98 114.58 119.20 1pyg h GLU 785 Ca -0.00 -0.56 -0.07 0.00 -1.00 0.00 0.00 59.36 57.73 1pyg h GLU 785 Cb 0.19 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1pyg h GLU 785 CO 0.01 1.20 -0.23 0.00 -1.00 0.00 0.00 179.01 178.99 1pyg h ARG 786 N 0.66 0.19 0.23 2.33 3.08 -0.30 -0.76 114.38 119.81 1pyg h ARG 786 Ca 0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1pyg h ARG 786 Cb 1.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1pyg h ARG 786 CO 0.12 0.42 -0.11 0.28 -1.07 0.00 0.00 179.97 179.61 1pyg h VAL 787 N 0.18 0.80 -0.44 2.04 2.07 -0.67 -1.96 116.25 118.26 1pyg h VAL 787 Ca 0.03 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1pyg h VAL 787 Cb 0.51 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1pyg h VAL 787 CO 0.03 0.04 0.01 0.28 0.02 0.00 0.00 177.57 177.96 1pyg h SER 788 N -0.41 0.68 0.03 0.57 0.02 -0.99 0.28 113.55 113.73 1pyg h SER 788 Ca -0.03 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.78 1pyg h SER 788 Cb 0.31 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1pyg h SER 788 CO 0.05 0.74 -0.10 0.00 -1.14 0.00 0.00 176.83 176.38 1pyg h ALA 789 N 1.34 -0.14 -0.47 3.77 0.00 -1.06 -0.18 119.26 122.52 1pyg h ALA 789 Ca 0.14 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1pyg h ALA 789 Cb 0.40 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1pyg h ALA 789 CO 0.01 -0.60 -0.09 1.25 0.00 0.00 0.00 179.25 179.82 1pyg h LEU 790 N -0.19 0.83 -1.56 0.00 5.85 -1.03 -2.73 115.31 116.48 1pyg h LEU 790 Ca 0.03 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 1pyg h LEU 790 Cb 0.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1pyg h LEU 790 CO -0.08 0.94 0.06 0.22 -0.34 0.00 0.00 178.44 179.24 1pyg h TYR 791 N 0.76 0.35 0.00 1.25 3.20 0.30 0.19 116.97 123.02 1pyg h TYR 791 Ca 0.13 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1pyg h TYR 791 Cb 0.58 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1pyg h TYR 791 CO 0.03 0.31 0.00 1.17 -1.64 0.00 0.00 178.16 178.03 1pyg n LYS 792 N -4.40 0.12 -3.79 1.82 4.81 -0.15 -4.01 118.16 112.56 1pyg n LYS 792 Ca 0.01 0.52 -0.35 0.00 -0.87 0.00 0.00 58.31 57.62 1pyg n LYS 792 Cb 0.15 -1.82 -0.11 0.00 0.02 0.00 0.00 35.03 33.27 1pyg n LYS 792 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1pyg s ASN 793 N -3.84 5.06 0.49 3.14 3.04 0.67 -4.99 114.94 118.51 1pyg s ASN 793 Ca 0.01 -2.66 0.28 0.00 0.04 0.00 0.00 52.86 50.52 1pyg s ASN 793 Cb 0.06 -1.80 1.36 0.00 -1.54 0.00 0.00 41.25 39.33 1pyg s ASN 793 CO 0.23 -0.38 1.84 -0.65 -3.04 0.00 0.00 177.10 175.10 1pyg h PRO 794 N 7.19 0.14 0.07 0.43 0.11 -1.79 -0.81 132.00 137.34 1pyg h PRO 794 Ca -0.05 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.76 1pyg h PRO 794 Cb 0.97 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.03 1pyg h PRO 794 CO 0.69 0.09 -1.46 -0.09 -0.21 0.00 0.00 178.00 177.03 1pyg h ARG 795 N 0.14 0.16 0.00 1.05 2.43 -1.94 -2.90 114.38 113.32 1pyg h ARG 795 Ca 0.50 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1pyg h ARG 795 Cb 1.70 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 31.35 1pyg h ARG 795 CO -0.09 0.99 -0.55 0.93 -1.51 0.00 0.00 179.97 179.74 1pyg h GLU 796 N 0.04 0.00 0.17 0.20 4.39 -1.50 -2.12 114.58 115.75 1pyg h GLU 796 Ca -0.21 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1pyg h GLU 796 Cb 1.97 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.62 1pyg h GLU 796 CO 0.14 0.00 -0.08 2.35 -1.16 0.00 0.00 179.01 180.26 1pyg h TRP 797 N 0.00 -0.21 0.00 4.33 2.91 -1.49 -2.36 115.95 119.14 1pyg h TRP 797 Ca 0.00 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.01 1pyg h TRP 797 Cb 0.92 0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1pyg h TRP 797 CO 0.00 0.15 -0.00 1.15 -1.03 0.00 0.00 178.44 178.71 1pyg h THR 798 N -0.60 0.94 0.00 2.65 2.02 -1.52 -1.44 112.91 114.95 1pyg h THR 798 Ca -0.02 -0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 1pyg h THR 798 Cb 0.45 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 1pyg h THR 798 CO 0.04 0.00 -0.60 0.03 0.37 0.00 0.00 175.52 175.35 1pyg h ARG 799 N 0.00 0.00 -0.13 6.66 3.08 -1.22 0.08 114.38 122.84 1pyg h ARG 799 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1pyg h ARG 799 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1pyg h ARG 799 CO 0.00 0.60 -0.66 1.98 -1.07 0.00 0.00 179.97 180.82 1pyg h MET 800 N 0.00 0.51 0.07 0.04 4.05 -0.75 -2.47 114.93 116.39 1pyg h MET 800 Ca -0.01 -0.38 -0.00 0.00 -0.28 0.00 0.00 59.70 59.03 1pyg h MET 800 Cb 1.38 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.25 1pyg h MET 800 CO 0.08 1.00 -0.04 0.28 0.23 0.00 0.00 176.91 178.46 1pyg h VAL 801 N 0.37 1.10 -0.90 -5.77 2.07 -1.22 -2.10 116.25 109.80 1pyg h VAL 801 Ca -0.02 -0.62 0.13 0.00 0.82 0.00 0.00 66.70 67.01 1pyg h VAL 801 Cb 1.23 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 1pyg h VAL 801 CO 0.12 0.15 0.58 0.40 0.02 0.00 0.00 177.57 178.84 1pyg h ILE 802 N -0.38 0.88 0.04 4.57 2.04 -0.82 -0.63 117.51 123.22 1pyg h ILE 802 Ca -0.01 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1pyg h ILE 802 Cb 0.33 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 1pyg h ILE 802 CO 0.02 0.14 -0.08 0.03 0.00 0.00 0.00 178.15 178.26 1pyg h ARG 803 N 0.78 -0.15 0.42 2.37 3.08 -1.29 0.13 114.38 119.72 1pyg h ARG 803 Ca 0.44 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.49 1pyg h ARG 803 Cb 0.60 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1pyg h ARG 803 CO -0.20 -0.10 -0.27 -0.91 -1.07 0.00 0.00 179.97 177.41 1pyg h ASN 804 N -0.16 -0.69 -0.07 7.04 2.35 -0.46 -1.45 115.58 122.14 1pyg h ASN 804 Ca 0.02 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1pyg h ASN 804 Cb 0.18 0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1pyg h ASN 804 CO -0.05 -0.43 0.03 0.40 -1.65 0.00 0.00 177.43 175.73 1pyg h ILE 805 N -0.67 0.99 -0.15 2.81 2.04 -1.16 -0.37 117.51 121.00 1pyg h ILE 805 Ca -0.04 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.83 1pyg h ILE 805 Cb 0.56 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1pyg h ILE 805 CO 0.04 0.01 0.14 0.00 0.00 0.00 0.00 178.15 178.34 1pyg h ALA 806 N 1.04 1.83 -0.37 1.87 0.00 -0.59 -0.50 119.26 122.55 1pyg h ALA 806 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1pyg h ALA 806 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pyg h ALA 806 CO -0.02 -0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.26 1pyg n THR 807 N -3.96 0.53 1.03 0.00 -2.24 -0.24 -2.46 114.28 106.94 1pyg n THR 807 Ca 0.01 -0.76 0.12 0.00 -2.27 0.00 0.00 64.05 61.14 1pyg n THR 807 Cb 0.26 0.95 0.58 0.00 -2.10 0.00 0.00 70.33 70.03 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 1.34 0.00 0.28 3.42 3.41 -0.20 -4.07 113.62 117.81 1pyg n SER 808 Ca 0.18 0.19 0.16 0.00 -0.26 0.00 0.00 58.87 59.13 1pyg n SER 808 Cb 0.57 -0.38 0.84 0.00 -0.26 0.00 0.00 64.21 64.97 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 4.18 0.00 2.00 5.00 0.00 -1.76 0.11 103.07 112.59 1pyg h GLY 809 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1pyg h GLY 809 CO 0.00 0.00 -0.15 1.70 0.00 0.00 0.00 176.54 178.09 1pyg h LYS 810 N 0.00 0.00 -0.62 4.80 3.64 -1.86 -3.26 116.57 119.27 1pyg h LYS 810 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1pyg h LYS 810 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1pyg h LYS 810 CO 0.00 0.15 0.00 1.19 -2.27 0.00 0.00 179.45 178.52 1pyg n PHE 811 N -3.27 1.06 -2.15 1.91 3.72 0.38 -4.81 117.46 114.30 1pyg n PHE 811 Ca 0.01 -0.41 -0.40 0.00 -0.05 0.00 0.00 57.45 56.59 1pyg n PHE 811 Cb 0.41 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.72 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 -0.73 6.74 0.00 4.37 0.15 -1.23 -0.49 113.70 122.51 1pyg s SER 812 Ca 0.35 2.62 0.18 0.00 0.70 0.00 0.00 55.95 59.80 1pyg s SER 812 Cb 0.23 -2.64 0.84 0.00 -1.71 0.00 0.00 66.02 62.73 1pyg s SER 812 CO 0.16 -0.55 1.57 -1.54 1.20 0.00 0.00 173.24 174.08 1pyg n SER 813 N 0.70 0.00 0.22 5.45 3.41 0.11 -1.94 113.62 121.57 1pyg n SER 813 Ca 0.01 0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.98 1pyg n SER 813 Cb 0.43 -0.41 0.49 0.00 -0.26 0.00 0.00 64.21 64.46 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 0.07 4.04 3.32 -1.90 -0.43 116.42 121.52 1pyg h ASP 814 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pyg h ASP 814 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1pyg h ASP 814 CO 0.00 0.27 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.67 1pyg h ARG 815 N 0.00 -0.09 -0.75 3.56 2.43 -1.72 -1.95 114.38 115.86 1pyg h ARG 815 Ca -0.00 0.01 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 1pyg h ARG 815 Cb 0.58 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.04 1pyg h ARG 815 CO 0.03 0.30 0.19 1.15 -1.51 0.00 0.00 179.97 180.13 1pyg h THR 816 N -0.98 0.51 -0.05 0.20 2.02 -1.49 -0.47 112.91 112.64 1pyg h THR 816 Ca -0.01 -0.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1pyg h THR 816 Cb 0.42 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1pyg h THR 816 CO 0.02 0.05 -0.61 0.40 0.37 0.00 0.00 175.52 175.75 1pyg h ILE 817 N 0.28 1.40 -0.09 3.11 1.08 -1.13 -1.64 117.51 120.52 1pyg h ILE 817 Ca 0.43 -2.01 -0.15 0.00 -0.39 0.00 0.00 64.86 62.74 1pyg h ILE 817 Cb 0.74 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 36.51 1pyg h ILE 817 CO -0.52 0.59 -0.59 0.00 -0.69 0.00 0.00 178.15 176.94 1pyg h ALA 818 N 1.23 0.82 0.49 1.87 0.00 -0.40 0.23 119.26 123.51 1pyg h ALA 818 Ca -0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1pyg h ALA 818 Cb 1.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1pyg h ALA 818 CO 0.09 0.72 -0.24 1.96 0.00 0.00 0.00 179.25 181.78 1pyg h GLN 819 N 0.22 -0.63 -0.55 0.00 4.20 -0.94 -0.12 115.11 117.29 1pyg h GLN 819 Ca -0.00 0.04 0.11 0.00 0.06 0.00 0.00 58.65 58.86 1pyg h GLN 819 Cb 1.10 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 28.92 1pyg h GLN 819 CO 0.10 -0.34 -0.16 1.88 -0.67 0.00 0.00 178.83 179.63 1pyg h TYR 820 N -0.85 -0.37 -0.00 2.96 -1.99 -1.14 0.25 116.97 115.82 1pyg h TYR 820 Ca -0.07 0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.74 1pyg h TYR 820 Cb 0.58 0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.53 1pyg h TYR 820 CO -0.00 -0.26 -0.15 0.00 -0.00 0.00 0.00 178.16 177.74 1pyg h ALA 821 N 1.48 -0.18 -0.32 3.88 0.00 -0.33 0.12 119.26 123.90 1pyg h ALA 821 Ca 0.26 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 1pyg h ALA 821 Cb 0.43 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1pyg h ALA 821 CO -0.58 -0.65 -0.43 0.00 0.00 0.00 0.00 179.25 177.59 1pyg h ARG 822 N -0.25 0.85 0.00 0.00 -0.00 -0.70 0.32 114.38 114.61 1pyg h ARG 822 Ca 0.05 -0.49 -0.10 0.00 -0.50 0.00 0.00 59.98 58.93 1pyg h ARG 822 Cb 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 30.31 1pyg h ARG 822 CO -0.15 1.13 -2.02 0.39 0.00 0.00 0.00 179.97 179.33 1pyg n GLU 823 N -4.09 0.66 -0.00 0.04 1.02 0.86 -4.38 120.64 114.76 1pyg n GLU 823 Ca -0.04 -0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 56.96 1pyg n GLU 823 Cb 0.57 -1.55 -0.01 0.00 -0.02 0.00 0.00 31.44 30.42 1pyg n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1pyg n ILE 824 N -2.44 0.54 0.25 -3.67 5.41 0.26 -4.86 119.36 114.85 1pyg n ILE 824 Ca -0.11 0.09 0.12 0.00 1.00 0.00 0.00 62.75 63.84 1pyg n ILE 824 Cb 0.73 -1.59 0.17 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.13 0.00 -1.02 1.39 6.55 -1.09 -3.48 115.95 118.17 1pyg h TRP 825 Ca -0.06 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.73 1pyg h TRP 825 Cb 0.78 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.08 1pyg h TRP 825 CO -0.03 0.00 -0.07 0.41 -1.05 0.00 0.00 178.44 177.70 1pyg n GLY 826 N 1.13 0.55 3.10 1.49 0.00 0.10 -5.01 105.19 106.55 1pyg n GLY 826 Ca 0.04 -0.67 -0.17 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.62 0.85 -0.13 1.61 -7.23 -0.51 -4.99 120.40 107.38 1pyg s VAL 827 Ca 0.04 -0.96 -0.16 0.00 -1.81 0.00 0.00 61.98 59.09 1pyg s VAL 827 Cb -0.02 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 36.07 1pyg s VAL 827 CO 0.05 -0.13 0.39 -0.70 -0.31 0.00 0.00 175.10 174.40 1pyg s GLU 828 N -1.21 4.27 0.94 4.82 2.56 -1.26 -3.38 118.70 125.43 1pyg s GLU 828 Ca -0.02 0.29 -0.11 0.00 0.00 0.00 0.00 54.97 55.13 1pyg s GLU 828 Cb -0.08 -3.41 0.16 0.00 2.00 0.00 0.00 34.13 32.79 1pyg s GLU 828 CO 0.01 0.23 1.12 -1.25 -0.56 0.00 0.00 175.26 174.81 1pyg s PRO 829 N 0.43 0.83 -0.07 4.30 0.04 -1.26 -5.00 135.00 134.26 1pyg s PRO 829 Ca 0.22 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.53 1pyg s PRO 829 Cb -0.14 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.70 1pyg s PRO 829 CO 0.08 -2.70 0.25 0.45 0.04 0.00 0.00 177.00 175.11 1pyg s SER 830 N -2.75 -0.22 -0.10 6.66 0.15 0.37 -5.01 113.70 112.80 1pyg s SER 830 Ca 0.66 0.37 0.13 0.00 0.70 0.00 0.00 55.95 57.82 1pyg s SER 830 Cb -0.22 0.46 0.33 0.00 -1.71 0.00 0.00 66.02 64.87 1pyg s SER 830 CO 0.59 -0.17 1.25 0.54 1.20 0.00 0.00 173.24 176.64 1pyg n ARG 831 N 2.55 2.48 -2.22 5.44 1.74 -1.26 -3.15 116.66 122.23 1pyg n ARG 831 Ca -0.15 -2.39 -0.42 0.00 -0.77 0.00 0.00 57.85 54.12 1pyg n ARG 831 Cb 0.58 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.49 1pyg n ARG 831 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1pyg s GLN 832 N -2.17 4.37 0.27 5.56 1.03 -1.26 -4.96 119.66 122.51 1pyg s GLN 832 Ca 0.29 2.03 -0.29 0.00 0.04 0.00 0.00 55.36 57.42 1pyg s GLN 832 Cb 0.22 -3.23 -0.09 0.00 0.03 0.00 0.00 33.01 29.94 1pyg s GLN 832 CO 0.07 -0.31 1.22 0.50 -2.54 0.00 0.00 175.29 174.23 1pyg s ARG 833 N 0.40 4.48 0.26 9.60 3.52 -1.26 -4.94 118.95 131.02 1pyg s ARG 833 Ca 0.59 2.00 -0.03 0.00 -0.13 0.00 0.00 55.73 58.16 1pyg s ARG 833 Cb -0.36 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 1pyg s ARG 833 CO 0.35 -0.04 0.50 -1.17 -0.81 0.00 0.00 175.30 174.13 1pyg s LEU 834 N -1.20 4.11 0.02 -0.88 2.96 0.17 -5.02 118.68 118.84 1pyg s LEU 834 Ca 0.49 0.59 -0.27 0.00 -0.22 0.00 0.00 54.13 54.72 1pyg s LEU 834 Cb -0.35 -3.39 -0.16 0.00 0.50 0.00 0.00 46.19 42.78 1pyg s LEU 834 CO 0.44 -0.15 1.21 -0.65 -1.32 0.00 0.00 176.35 175.88 1pyg h PRO 835 N 1.72 -0.76 0.00 0.98 0.11 -1.91 -3.40 132.00 128.74 1pyg h PRO 835 Ca -0.48 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1pyg h PRO 835 Cb 1.19 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.47 1pyg h PRO 835 CO 0.66 -0.45 0.00 0.00 -0.21 0.00 0.00 178.00 178.01