#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 0.21 2.89 5.02 -1.26 -4.10 118.16 120.91 1pyg n LYS 11 Ca 0.00 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 1pyg n LYS 11 Cb 0.00 -0.10 0.55 0.00 -0.02 0.00 0.00 35.03 35.46 1pyg n LYS 11 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1pyg h GLN 12 N 0.00 0.00 -5.83 1.97 4.15 -2.08 -3.38 115.11 109.93 1pyg h GLN 12 Ca 0.00 0.00 -0.60 0.00 0.77 0.00 0.00 58.65 58.82 1pyg h GLN 12 Cb 0.00 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 27.57 1pyg h GLN 12 CO 0.00 0.00 0.88 0.42 -1.93 0.00 0.00 178.83 178.20 1pyg s ILE 13 N -3.46 4.08 0.29 2.39 1.01 -1.26 -4.96 121.20 119.28 1pyg s ILE 13 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 60.65 60.49 1pyg s ILE 13 Cb 0.09 -4.83 -0.03 0.00 0.01 0.00 0.00 42.46 37.70 1pyg s ILE 13 CO 0.50 -1.67 0.26 -0.55 0.00 0.00 0.00 174.94 173.48 1pyg s SER 14 N 3.85 1.03 0.12 3.58 0.15 -1.26 -4.94 113.70 116.22 1pyg s SER 14 Ca 0.31 -1.58 0.24 0.00 0.70 0.00 0.00 55.95 55.62 1pyg s SER 14 Cb -0.10 0.51 0.32 0.00 -1.71 0.00 0.00 66.02 65.04 1pyg s SER 14 CO 0.08 -1.02 1.30 0.58 1.20 0.00 0.00 173.24 175.38 1pyg h VAL 15 N 2.30 0.00 0.00 4.45 2.07 -1.95 -3.48 116.25 119.64 1pyg h VAL 15 Ca -0.29 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1pyg h VAL 15 Cb 1.24 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1pyg h VAL 15 CO 0.42 0.00 0.00 -1.14 0.02 0.00 0.00 177.57 176.87 1pyg n ARG 16 N -2.12 0.00 -1.04 1.57 0.63 -1.26 -1.29 116.66 113.16 1pyg n ARG 16 Ca 0.03 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.95 1pyg n ARG 16 Cb 0.44 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.35 1pyg n ARG 16 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1pyg n GLY 17 N 0.00 0.30 0.29 5.14 0.00 -1.26 -4.89 105.19 104.77 1pyg n GLY 17 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.01 1pyg n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pyg h LEU 18 N 0.00 0.40 -0.98 0.99 3.38 -1.56 -2.78 115.31 114.77 1pyg h LEU 18 Ca -0.02 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1pyg h LEU 18 Cb 0.64 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.23 1pyg h LEU 18 CO 0.04 0.37 0.64 0.00 0.09 0.00 0.00 178.44 179.57 1pyg h ALA 19 N 1.70 1.29 -0.75 1.53 0.00 -1.90 -3.48 119.26 117.65 1pyg h ALA 19 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1pyg h ALA 19 Cb 0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1pyg h ALA 19 CO -0.01 0.54 -0.02 0.41 0.00 0.00 0.00 179.25 180.16 1pyg n GLY 20 N -1.36 -1.74 3.81 0.00 0.00 -1.05 -4.91 105.19 99.93 1pyg n GLY 20 Ca 0.13 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1pyg n GLY 20 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyg s VAL 21 N -0.16 4.04 -1.14 1.61 -7.23 -1.26 -4.94 120.40 111.31 1pyg s VAL 21 Ca 0.00 0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 61.11 1pyg s VAL 21 Cb 0.00 -3.49 0.26 0.00 0.56 0.00 0.00 36.38 33.70 1pyg s VAL 21 CO 0.00 -0.55 1.73 -0.62 -0.31 0.00 0.00 175.10 175.36 1pyg n GLU 22 N -1.81 4.46 -4.36 4.82 -0.58 -1.26 -4.66 120.64 117.25 1pyg n GLU 22 Ca 0.08 -4.22 -0.19 0.00 -0.42 0.00 0.00 57.16 52.42 1pyg n GLU 22 Cb 0.53 -2.62 -0.10 0.00 -0.57 0.00 0.00 31.44 28.68 1pyg n GLU 22 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pyg s ASN 23 N -0.87 2.34 0.22 1.62 2.20 -1.26 -4.96 114.94 114.22 1pyg s ASN 23 Ca 0.37 -1.15 -0.07 0.00 -0.94 0.00 0.00 52.86 51.06 1pyg s ASN 23 Cb 0.10 -0.09 0.17 0.00 -2.00 0.00 0.00 41.25 39.42 1pyg s ASN 23 CO 0.02 -0.36 1.77 0.58 -2.94 0.00 0.00 177.10 176.17 1pyg h VAL 24 N 2.44 1.26 -0.28 3.54 2.07 -1.92 -1.19 116.25 122.16 1pyg h VAL 24 Ca -0.39 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1pyg h VAL 24 Cb 1.22 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1pyg h VAL 24 CO 0.65 0.35 0.14 0.74 0.02 0.00 0.00 177.57 179.47 1pyg h THR 25 N 1.13 1.14 -0.25 2.57 2.02 -1.97 -0.18 112.91 117.37 1pyg h THR 25 Ca 0.25 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1pyg h THR 25 Cb 0.26 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1pyg h THR 25 CO -0.01 0.14 0.00 -0.08 0.37 0.00 0.00 175.52 175.94 1pyg h GLU 26 N 0.33 0.44 -0.79 6.66 4.57 -1.86 -1.08 114.58 122.85 1pyg h GLU 26 Ca 0.10 -0.14 0.12 0.00 -1.18 0.00 0.00 59.36 58.26 1pyg h GLU 26 Cb 0.10 -0.04 -0.06 0.00 -0.16 0.00 0.00 28.75 28.59 1pyg h GLU 26 CO -0.01 0.61 0.52 -0.07 -1.18 0.00 0.00 179.01 178.87 1pyg h LEU 27 N 0.21 0.55 -0.18 1.64 -0.00 -0.93 0.21 115.31 116.81 1pyg h LEU 27 Ca 0.07 0.02 -0.22 0.00 -0.00 0.00 0.00 57.88 57.76 1pyg h LEU 27 Cb 0.41 -0.09 -0.00 0.00 -0.00 0.00 0.00 40.66 40.98 1pyg h LEU 27 CO 0.01 0.30 -0.95 0.11 -0.00 0.00 0.00 178.44 177.92 1pyg h LYS 28 N 0.60 0.29 0.18 1.13 1.57 -0.80 -1.48 116.57 118.06 1pyg h LYS 28 Ca 0.38 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1pyg h LYS 28 Cb 0.64 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1pyg h LYS 28 CO -0.14 1.05 -0.09 0.87 -0.57 0.00 0.00 179.45 180.57 1pyg h LYS 29 N 0.15 -0.24 0.00 3.15 1.57 0.47 -1.13 116.57 120.54 1pyg h LYS 29 Ca -0.07 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1pyg h LYS 29 Cb 1.59 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 1pyg h LYS 29 CO 0.15 -0.05 -0.16 -0.91 -0.57 0.00 0.00 179.45 177.92 1pyg h ASN 30 N -0.39 0.00 -0.10 0.86 2.35 -0.73 0.22 115.58 117.79 1pyg h ASN 30 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1pyg h ASN 30 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 1pyg h ASN 30 CO 0.04 0.16 -0.09 0.15 -1.65 0.00 0.00 177.43 176.04 1pyg h PHE 31 N 0.00 0.29 -0.89 1.19 3.04 -0.87 -0.53 116.94 119.17 1pyg h PHE 31 Ca -0.00 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 61.85 1pyg h PHE 31 Cb 0.30 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.70 1pyg h PHE 31 CO 0.00 0.65 0.50 -0.91 -2.02 0.00 0.00 178.31 176.53 1pyg h ASN 32 N -0.15 1.10 -0.59 0.41 2.35 -0.00 -1.36 115.58 117.34 1pyg h ASN 32 Ca 0.02 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1pyg h ASN 32 Cb 0.59 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 1pyg h ASN 32 CO 0.02 0.87 0.14 -0.09 -1.65 0.00 0.00 177.43 176.72 1pyg h ARG 33 N 1.24 0.94 0.02 0.81 2.43 -0.92 -1.64 114.38 117.27 1pyg h ARG 33 Ca 0.32 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1pyg h ARG 33 Cb 0.00 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1pyg h ARG 33 CO -0.05 0.87 -0.01 0.45 -1.51 0.00 0.00 179.97 179.72 1pyg h HIS 34 N 0.85 -0.03 -0.85 2.20 3.86 -0.43 0.20 115.15 120.95 1pyg h HIS 34 Ca 0.18 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.57 1pyg h HIS 34 Cb 0.36 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.78 1pyg h HIS 34 CO 0.03 0.54 0.56 1.25 0.86 0.00 0.00 177.93 181.17 1pyg h LEU 35 N -0.63 0.42 0.00 2.43 5.85 -1.24 -0.46 115.31 121.68 1pyg h LEU 35 Ca -0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1pyg h LEU 35 Cb 0.59 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.57 1pyg h LEU 35 CO 0.01 0.19 -0.22 0.45 -0.34 0.00 0.00 178.44 178.53 1pyg h HIS 36 N 0.43 0.00 0.14 1.25 3.86 -1.16 -0.94 115.15 118.73 1pyg h HIS 36 Ca 0.43 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.34 1pyg h HIS 36 Cb 1.02 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1pyg h HIS 36 CO -0.00 0.00 -1.41 0.74 0.86 0.00 0.00 177.93 178.12 1pyg h PHE 37 N -0.79 0.55 0.10 2.45 0.04 -0.60 -0.34 116.94 118.35 1pyg h PHE 37 Ca 0.00 -0.40 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 1pyg h PHE 37 Cb 0.22 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1pyg h PHE 37 CO -0.09 1.37 -0.05 1.15 -0.60 0.00 0.00 178.31 180.09 1pyg h THR 38 N 0.08 1.01 0.00 -1.55 2.02 -1.18 -3.35 112.91 109.94 1pyg h THR 38 Ca -0.20 -1.35 0.00 0.00 0.77 0.00 0.00 66.41 65.63 1pyg h THR 38 Cb 2.02 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 1pyg h THR 38 CO 0.19 0.28 -0.69 0.18 0.37 0.00 0.00 175.52 175.86 1pyg n LEU 39 N -4.85 0.61 -3.52 2.58 4.77 -0.71 -5.00 117.00 110.89 1pyg n LEU 39 Ca -0.08 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.74 1pyg n LEU 39 Cb 0.28 -0.18 0.05 0.00 -2.33 0.00 0.00 43.42 41.24 1pyg n LEU 39 CO 0.26 0.06 -0.02 0.52 -1.33 0.00 0.00 177.39 176.88 1pyg n VAL 40 N -1.80 -6.53 -4.15 4.08 0.31 -0.14 -4.97 118.33 105.13 1pyg n VAL 40 Ca 0.04 -0.89 -0.08 0.00 -0.01 0.00 0.00 64.34 63.39 1pyg n VAL 40 Cb 0.39 -4.96 -0.03 0.00 -0.91 0.00 0.00 33.84 28.33 1pyg n VAL 40 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1pyg n LYS 41 N -3.90 0.52 -4.14 5.55 3.00 -0.36 -5.02 118.16 113.81 1pyg n LYS 41 Ca -0.17 -1.26 -0.10 0.00 -0.00 0.00 0.00 58.31 56.78 1pyg n LYS 41 Cb 0.64 0.83 -0.10 0.00 0.00 0.00 0.00 35.03 36.40 1pyg n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1pyg s ASP 42 N -1.90 0.23 0.22 3.14 1.01 -1.26 -4.39 116.67 113.73 1pyg s ASP 42 Ca 0.11 -1.21 -0.08 0.00 0.71 0.00 0.00 52.55 52.07 1pyg s ASP 42 Cb 0.01 0.34 0.19 0.00 1.01 0.00 0.00 42.92 44.46 1pyg s ASP 42 CO 0.08 -0.78 1.86 -0.09 0.21 0.00 0.00 175.17 176.44 1pyg h ARG 43 N 2.76 1.16 0.00 8.23 2.43 -1.96 0.66 114.38 127.66 1pyg h ARG 43 Ca -0.35 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1pyg h ARG 43 Cb 1.22 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1pyg h ARG 43 CO 0.56 0.83 0.00 -0.91 -1.51 0.00 0.00 179.97 178.94 1pyg h ASN 44 N 1.17 0.00 0.00 -3.80 2.35 -2.05 -3.19 115.58 110.06 1pyg h ASN 44 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1pyg h ASN 44 Cb -0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1pyg h ASN 44 CO -0.05 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.06 1pyg n VAL 45 N -2.81 0.10 -2.46 2.81 0.24 -0.54 -5.08 118.33 110.59 1pyg n VAL 45 Ca -0.02 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.73 1pyg n VAL 45 Cb 0.07 1.32 -0.04 0.00 -1.47 0.00 0.00 33.84 33.72 1pyg n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyg s ALA 46 N -0.10 3.41 0.40 2.33 0.00 0.22 -4.85 121.76 123.16 1pyg s ALA 46 Ca 0.00 0.91 0.08 0.00 0.00 0.00 0.00 51.96 52.95 1pyg s ALA 46 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1pyg s ALA 46 CO 0.00 -0.18 0.30 0.95 0.00 0.00 0.00 175.76 176.83 1pyg s THR 47 N -1.17 2.76 0.20 0.00 -4.23 -1.26 -4.96 115.64 106.98 1pyg s THR 47 Ca 0.45 -1.45 -0.16 0.00 -1.18 0.00 0.00 61.69 59.35 1pyg s THR 47 Cb -0.32 -3.02 0.20 0.00 1.34 0.00 0.00 72.50 70.70 1pyg s THR 47 CO 0.41 -0.04 1.39 -2.65 -0.54 0.00 0.00 174.62 173.19 1pyg n PRO 48 N -1.42 -0.22 0.04 3.99 -0.02 -1.26 -0.47 135.00 135.64 1pyg n PRO 48 Ca 0.01 1.38 0.14 0.00 -2.02 0.00 0.00 63.50 63.01 1pyg n PRO 48 Cb 0.62 -2.04 0.61 0.00 -0.02 0.00 0.00 33.50 32.67 1pyg n PRO 48 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1pyg h ARG 49 N 0.00 0.13 -0.07 -0.52 2.43 -1.98 0.44 114.38 114.82 1pyg h ARG 49 Ca 0.30 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.33 1pyg h ARG 49 Cb 0.53 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1pyg h ARG 49 CO -0.89 0.09 -0.47 -0.44 -1.51 0.00 0.00 179.97 176.75 1pyg h ASP 50 N 0.14 0.54 0.73 -3.80 3.32 -1.14 -2.55 116.42 113.66 1pyg h ASP 50 Ca 0.19 -0.67 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1pyg h ASP 50 Cb 0.59 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1pyg h ASP 50 CO -0.02 1.12 0.00 1.88 -1.72 0.00 0.00 179.24 180.50 1pyg h TYR 51 N -0.01 0.00 0.17 4.55 0.05 0.74 -0.04 116.97 122.43 1pyg h TYR 51 Ca -0.04 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.52 1pyg h TYR 51 Cb 1.13 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.89 1pyg h TYR 51 CO 0.12 0.00 -0.98 -0.92 -1.05 0.00 0.00 178.16 175.33 1pyg h TYR 52 N 0.00 0.66 -0.18 4.88 3.20 -1.01 -2.63 116.97 121.89 1pyg h TYR 52 Ca 0.00 -0.48 -0.07 0.00 3.14 0.00 0.00 58.73 61.32 1pyg h TYR 52 Cb 0.37 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1pyg h TYR 52 CO 0.00 1.37 -0.20 0.74 -1.64 0.00 0.00 178.16 178.43 1pyg h PHE 53 N -0.24 0.34 -0.17 -3.82 0.04 -0.70 0.70 116.94 113.09 1pyg h PHE 53 Ca -0.17 -0.06 -0.12 0.00 2.80 0.00 0.00 57.97 60.42 1pyg h PHE 53 Cb 1.78 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.82 1pyg h PHE 53 CO 0.18 0.50 -0.42 0.00 -0.60 0.00 0.00 178.31 177.98 1pyg h ALA 54 N 1.51 0.97 -0.01 2.45 0.00 -1.13 0.46 119.26 123.51 1pyg h ALA 54 Ca 0.05 -0.43 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 1pyg h ALA 54 Cb 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pyg h ALA 54 CO 0.03 0.62 -0.92 1.25 0.00 0.00 0.00 179.25 180.24 1pyg h LEU 55 N 0.32 0.52 -0.92 0.00 5.85 -1.11 -2.82 115.31 117.16 1pyg h LEU 55 Ca 0.03 -0.41 -0.08 0.00 0.84 0.00 0.00 57.88 58.25 1pyg h LEU 55 Cb 0.87 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 1pyg h LEU 55 CO 0.07 1.21 -0.06 0.00 -0.34 0.00 0.00 178.44 179.32 1pyg h ALA 56 N 0.76 1.10 -0.03 1.25 0.00 -0.69 -1.98 119.26 119.66 1pyg h ALA 56 Ca -0.07 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1pyg h ALA 56 Cb 1.55 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1pyg h ALA 56 CO 0.16 0.56 -0.58 0.45 0.00 0.00 0.00 179.25 179.84 1pyg h HIS 57 N 0.67 0.14 -0.29 0.00 3.86 -0.95 -1.04 115.15 117.53 1pyg h HIS 57 Ca 0.12 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.20 1pyg h HIS 57 Cb 0.51 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1pyg h HIS 57 CO 0.02 0.67 -0.15 1.15 0.86 0.00 0.00 177.93 180.49 1pyg h THR 58 N 0.08 1.30 -0.15 2.45 2.02 -1.21 -3.09 112.91 114.30 1pyg h THR 58 Ca -0.00 -1.24 -0.17 0.00 0.77 0.00 0.00 66.41 65.76 1pyg h THR 58 Cb 1.05 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1pyg h THR 58 CO 0.08 0.40 -0.62 0.58 0.37 0.00 0.00 175.52 176.32 1pyg h VAL 59 N 0.36 1.33 0.00 3.16 2.07 -1.27 -3.14 116.25 118.76 1pyg h VAL 59 Ca 0.06 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.64 1pyg h VAL 59 Cb 0.67 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1pyg h VAL 59 CO 0.04 0.59 -0.13 -0.09 0.02 0.00 0.00 177.57 178.01 1pyg h ARG 60 N 0.39 0.00 -0.46 1.57 2.43 -1.16 0.83 114.38 117.98 1pyg h ARG 60 Ca -0.01 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.08 1pyg h ARG 60 Cb 1.19 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 1pyg h ARG 60 CO 0.12 0.13 -0.03 -0.44 -1.51 0.00 0.00 179.97 178.24 1pyg h ASP 61 N 0.00 0.75 0.02 -3.80 3.32 -1.49 0.26 116.42 115.48 1pyg h ASP 61 Ca -0.00 -0.19 -0.17 0.00 0.02 0.00 0.00 57.03 56.69 1pyg h ASP 61 Cb 0.33 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1pyg h ASP 61 CO 0.02 0.83 -0.61 0.45 -1.72 0.00 0.00 179.24 178.21 1pyg h HIS 62 N 0.72 0.75 -0.29 4.55 3.86 -1.01 -2.48 115.15 121.26 1pyg h HIS 62 Ca 0.14 -0.29 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 1pyg h HIS 62 Cb 0.48 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 1pyg h HIS 62 CO 0.02 1.04 -0.10 1.25 0.86 0.00 0.00 177.93 181.01 1pyg h LEU 63 N 0.44 0.59 -0.70 2.43 5.85 -0.45 -3.25 115.31 120.21 1pyg h LEU 63 Ca -0.00 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.20 1pyg h LEU 63 Cb 1.17 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1pyg h LEU 63 CO 0.12 0.84 -0.41 0.58 -0.34 0.00 0.00 178.44 179.23 1pyg h VAL 64 N 0.33 1.30 -0.27 1.05 2.07 -0.23 -1.54 116.25 118.97 1pyg h VAL 64 Ca 0.07 -1.57 0.01 0.00 0.82 0.00 0.00 66.70 66.03 1pyg h VAL 64 Cb 0.60 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1pyg h VAL 64 CO 0.03 0.49 0.15 1.23 0.02 0.00 0.00 177.57 179.50 1pyg h GLY 65 N 1.08 0.37 1.28 2.17 0.00 -1.53 -0.54 103.07 105.90 1pyg h GLY 65 Ca 0.04 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1pyg h GLY 65 CO 0.08 0.10 0.01 3.21 0.00 0.00 0.00 176.54 179.93 1pyg h ARG 66 N 0.31 0.87 -0.75 4.80 3.08 -1.54 -1.84 114.38 119.31 1pyg h ARG 66 Ca 0.11 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1pyg h ARG 66 Cb 0.01 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1pyg h ARG 66 CO -0.06 0.86 0.49 2.35 -1.07 0.00 0.00 179.97 182.54 1pyg h TRP 67 N 0.81 0.92 0.52 3.04 7.01 -0.31 -1.16 115.95 126.78 1pyg h TRP 67 Ca 0.16 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 1pyg h TRP 67 Cb 0.47 -0.31 0.01 0.00 -2.10 0.00 0.00 29.16 27.23 1pyg h TRP 67 CO 0.03 0.55 -0.25 0.82 -2.79 0.00 0.00 178.44 176.80 1pyg h ILE 68 N 0.98 0.47 0.00 2.65 2.04 -0.53 -1.00 117.51 122.12 1pyg h ILE 68 Ca 0.29 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1pyg h ILE 68 Cb -0.05 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1pyg h ILE 68 CO -0.09 0.03 0.00 0.03 0.00 0.00 0.00 178.15 178.12 1pyg h ARG 69 N -0.80 0.00 0.08 2.37 3.08 -1.29 -1.21 114.38 116.60 1pyg h ARG 69 Ca -0.07 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 1pyg h ARG 69 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.64 1pyg h ARG 69 CO 0.12 0.00 -0.56 1.15 -1.07 0.00 0.00 179.97 179.61 1pyg h THR 70 N 0.00 1.57 -0.05 2.04 2.02 -0.71 -2.48 112.91 115.30 1pyg h THR 70 Ca 0.00 -2.44 -0.11 0.00 0.77 0.00 0.00 66.41 64.62 1pyg h THR 70 Cb 0.12 3.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.73 1pyg h THR 70 CO 0.00 0.66 -0.49 1.56 0.37 0.00 0.00 175.52 177.62 1pyg h GLN 71 N -0.63 0.12 -0.33 6.66 1.08 -0.46 0.14 115.11 121.68 1pyg h GLN 71 Ca -0.11 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1pyg h GLN 71 Cb 1.39 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 1pyg h GLN 71 CO 0.07 0.58 0.13 1.96 -0.95 0.00 0.00 178.83 180.62 1pyg h GLN 72 N 0.09 0.50 -0.78 1.46 4.20 -1.39 -1.53 115.11 117.66 1pyg h GLN 72 Ca 0.00 -0.10 0.10 0.00 0.06 0.00 0.00 58.65 58.72 1pyg h GLN 72 Cb 0.91 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 28.53 1pyg h GLN 72 CO 0.07 0.51 0.42 1.25 -0.67 0.00 0.00 178.83 180.41 1pyg h HIS 73 N 0.39 0.76 -0.35 2.96 2.76 -0.54 -0.97 115.15 120.15 1pyg h HIS 73 Ca 0.11 0.03 -0.15 0.00 -2.20 0.00 0.00 60.37 58.16 1pyg h HIS 73 Cb 0.20 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1pyg h HIS 73 CO -0.00 0.28 -0.39 1.88 -1.30 0.00 0.00 177.93 178.40 1pyg h TYR 74 N 0.69 1.02 -0.03 5.26 0.05 -0.51 -1.22 116.97 122.24 1pyg h TYR 74 Ca 0.39 -0.31 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 1pyg h TYR 74 Cb 0.41 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1pyg h TYR 74 CO -0.08 1.10 -0.28 1.88 -1.05 0.00 0.00 178.16 179.73 1pyg h TYR 75 N 0.70 0.05 -0.04 4.88 0.05 -0.20 0.82 116.97 123.23 1pyg h TYR 75 Ca 0.06 -0.01 -0.14 0.00 0.05 0.00 0.00 58.73 58.69 1pyg h TYR 75 Cb 0.97 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.70 1pyg h TYR 75 CO 0.06 0.32 -0.54 1.49 -1.05 0.00 0.00 178.16 178.44 1pyg h GLU 76 N 0.04 0.43 -0.00 4.88 4.22 -1.15 -3.23 114.58 119.76 1pyg h GLU 76 Ca 0.00 -0.41 0.00 0.00 0.08 0.00 0.00 59.36 59.03 1pyg h GLU 76 Cb 0.51 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1pyg h GLU 76 CO 0.04 1.06 -0.15 1.63 -2.18 0.00 0.00 179.01 179.41 1pyg n LYS 77 N -4.25 0.53 -3.57 1.92 4.01 -0.47 -4.96 118.16 111.37 1pyg n LYS 77 Ca -0.09 -0.20 -0.21 0.00 -0.51 0.00 0.00 58.31 57.30 1pyg n LYS 77 Cb 0.63 -1.50 0.01 0.00 -0.51 0.00 0.00 35.03 33.66 1pyg n LYS 77 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1pyg n ASP 78 N -1.06 -2.74 -4.61 4.39 2.03 0.26 -4.98 116.55 109.84 1pyg n ASP 78 Ca 0.12 -0.69 -0.25 0.00 0.52 0.00 0.00 54.79 54.49 1pyg n ASP 78 Cb 0.30 -0.97 0.11 0.00 -0.72 0.00 0.00 41.12 39.84 1pyg n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1pyg s PRO 79 N -4.95 1.58 -0.23 -0.67 0.04 -1.26 -5.01 135.00 124.50 1pyg s PRO 79 Ca 0.13 -0.77 -0.29 0.00 0.04 0.00 0.00 61.00 60.10 1pyg s PRO 79 Cb -0.07 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.27 1pyg s PRO 79 CO 0.57 -1.59 1.16 0.21 0.04 0.00 0.00 177.00 177.39 1pyg s LYS 80 N -5.31 4.17 0.07 4.56 2.20 -1.26 -4.89 119.74 119.27 1pyg s LYS 80 Ca 0.66 1.41 -0.22 0.00 -0.36 0.00 0.00 55.97 57.47 1pyg s LYS 80 Cb -0.06 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.46 1pyg s LYS 80 CO 0.46 -0.77 0.65 1.03 -0.36 0.00 0.00 175.35 176.36 1pyg s ARG 81 N 3.52 4.35 -0.17 4.03 0.52 -0.45 -4.56 118.95 126.18 1pyg s ARG 81 Ca 0.50 0.87 -0.00 0.00 -0.52 0.00 0.00 55.73 56.58 1pyg s ARG 81 Cb -0.17 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.02 1pyg s ARG 81 CO 0.13 0.51 -0.15 0.42 0.02 0.00 0.00 175.30 176.24 1pyg s ILE 82 N -0.76 2.62 -0.32 1.52 1.01 -0.24 -0.79 121.20 124.24 1pyg s ILE 82 Ca 0.32 -0.77 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1pyg s ILE 82 Cb -0.20 -2.13 0.04 0.00 0.01 0.00 0.00 42.46 40.18 1pyg s ILE 82 CO 0.21 0.50 0.07 -0.31 0.00 0.00 0.00 174.94 175.41 1pyg s TYR 83 N 1.09 3.25 -0.90 3.97 1.51 -0.21 -1.38 117.35 124.68 1pyg s TYR 83 Ca -0.00 -1.53 -0.19 0.00 -1.01 0.00 0.00 57.07 54.34 1pyg s TYR 83 Cb -0.14 -2.22 0.13 0.00 -0.11 0.00 0.00 41.96 39.62 1pyg s TYR 83 CO -0.04 -0.74 1.09 -0.47 -1.11 0.00 0.00 175.55 174.27 1pyg s TYR 84 N 1.36 3.13 -0.18 2.71 5.04 -0.06 -0.66 117.35 128.70 1pyg s TYR 84 Ca -0.02 -1.38 -0.29 0.00 -2.44 0.00 0.00 57.07 52.94 1pyg s TYR 84 Cb -0.19 -4.25 -0.01 0.00 0.35 0.00 0.00 41.96 37.86 1pyg s TYR 84 CO 0.02 -1.46 1.23 -0.51 -1.34 0.00 0.00 175.55 173.48 1pyg s LEU 85 N 2.60 4.17 0.02 6.97 1.02 -0.89 -2.63 118.68 129.94 1pyg s LEU 85 Ca 0.31 1.64 -0.09 0.00 0.02 0.00 0.00 54.13 56.00 1pyg s LEU 85 Cb -0.06 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.61 1pyg s LEU 85 CO -0.08 -0.75 0.18 -0.55 0.02 0.00 0.00 176.35 175.17 1pyg s SER 86 N 1.85 0.02 0.05 2.29 0.15 -1.07 -2.63 113.70 114.36 1pyg s SER 86 Ca 0.53 -0.29 0.24 0.00 0.70 0.00 0.00 55.95 57.13 1pyg s SER 86 Cb -0.20 0.26 0.30 0.00 -1.71 0.00 0.00 66.02 64.67 1pyg s SER 86 CO 0.13 -0.49 1.26 0.18 1.20 0.00 0.00 173.24 175.52 1pyg n LEU 87 N 0.96 0.61 -3.80 3.45 4.32 -1.26 -3.96 117.00 117.33 1pyg n LEU 87 Ca -0.20 0.05 -0.14 0.00 -0.02 0.00 0.00 56.01 55.69 1pyg n LEU 87 Cb 0.58 -0.18 -0.15 0.00 -1.62 0.00 0.00 43.42 42.05 1pyg n LEU 87 CO 0.22 0.05 -0.34 -1.83 -1.22 0.00 0.00 177.39 174.27 1pyg s GLU 88 N -3.11 -0.02 -0.30 3.23 -1.05 -1.26 -4.14 118.70 112.06 1pyg s GLU 88 Ca 0.07 0.14 0.03 0.00 -0.15 0.00 0.00 54.97 55.06 1pyg s GLU 88 Cb 0.15 -0.16 0.08 0.00 -0.44 0.00 0.00 34.13 33.76 1pyg s GLU 88 CO 0.74 -0.11 -0.00 -0.06 0.95 0.00 0.00 175.26 176.77 1pyg s PHE 89 N 0.73 3.20 -1.22 4.83 0.08 0.48 -4.06 117.98 122.02 1pyg s PHE 89 Ca -0.06 -2.49 -0.12 0.00 0.12 0.00 0.00 56.93 54.38 1pyg s PHE 89 Cb -0.09 -2.32 0.18 0.00 -0.57 0.00 0.00 43.02 40.23 1pyg s PHE 89 CO -0.02 -0.90 1.54 0.98 -0.10 0.00 0.00 175.22 176.72 1pyg n TYR 90 N 4.43 4.34 0.16 0.36 9.36 0.06 -3.13 117.16 132.73 1pyg n TYR 90 Ca -0.04 -3.21 0.04 0.00 3.32 0.00 0.00 57.90 58.01 1pyg n TYR 90 Cb 0.42 -2.06 0.11 0.00 -0.63 0.00 0.00 39.34 37.19 1pyg n TYR 90 CO 0.00 0.00 0.00 0.52 0.22 0.00 0.00 176.86 177.60 1pyg h MET 91 N 6.65 0.00 0.00 2.98 2.86 -1.83 -3.40 114.93 122.18 1pyg h MET 91 Ca 0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1pyg h MET 91 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1pyg h MET 91 CO 1.34 0.43 0.00 0.41 1.06 0.00 0.00 176.91 180.14 1pyg n GLY 92 N 1.00 1.89 3.22 8.32 0.00 -1.26 -4.73 105.19 113.63 1pyg n GLY 92 Ca 0.02 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 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 0.31 0.41 1.61 0.52 -1.26 -0.29 118.95 120.24 1pyg s ARG 93 Ca 0.00 0.92 0.22 0.00 -0.52 0.00 0.00 55.73 56.35 1pyg s ARG 93 Cb 0.00 0.18 0.75 0.00 0.52 0.00 0.00 34.95 36.40 1pyg s ARG 93 CO 0.00 -0.23 1.75 1.15 0.02 0.00 0.00 175.30 177.99 1pyg h THR 94 N 6.03 0.66 0.51 0.02 2.02 -1.90 -3.38 112.91 116.87 1pyg h THR 94 Ca -0.21 -1.34 -0.02 0.00 0.77 0.00 0.00 66.41 65.60 1pyg h THR 94 Cb 1.13 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 1pyg h THR 94 CO 0.17 0.28 -0.24 0.25 0.37 0.00 0.00 175.52 176.35 1pyg h LEU 95 N 0.00 -0.58 -1.07 2.58 5.85 -1.97 -1.19 115.31 118.94 1pyg h LEU 95 Ca -0.00 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1pyg h LEU 95 Cb 0.86 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1pyg h LEU 95 CO 0.04 -0.22 -0.37 -0.61 -0.34 0.00 0.00 178.44 176.93 1pyg h GLN 96 N -1.07 0.17 -0.75 1.25 4.15 -1.97 -0.95 115.11 115.95 1pyg h GLN 96 Ca -0.07 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.29 1pyg h GLN 96 Cb 0.52 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.17 1pyg h GLN 96 CO 0.11 0.53 0.50 -0.97 -1.93 0.00 0.00 178.83 177.07 1pyg h ASN 97 N 0.15 0.85 -0.03 -0.69 -1.24 -1.72 0.13 115.58 113.03 1pyg h ASN 97 Ca 0.02 -0.02 -0.04 0.00 0.71 0.00 0.00 56.30 56.97 1pyg h ASN 97 Cb 0.73 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.58 1pyg h ASN 97 CO 0.06 0.60 -0.13 0.74 -1.29 0.00 0.00 177.43 177.40 1pyg h THR 98 N 0.99 1.49 -0.12 -3.57 2.02 -0.46 -1.23 112.91 112.04 1pyg h THR 98 Ca 0.28 -1.64 0.04 0.00 0.77 0.00 0.00 66.41 65.85 1pyg h THR 98 Cb -0.07 2.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 1pyg h THR 98 CO -0.07 0.45 -0.11 0.24 0.37 0.00 0.00 175.52 176.40 1pyg h MET 99 N -0.46 -0.12 0.22 6.66 2.86 -0.85 -1.12 114.93 122.11 1pyg h MET 99 Ca -0.01 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1pyg h MET 99 Cb 0.80 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1pyg h MET 99 CO 0.03 -0.08 -0.42 0.28 1.06 0.00 0.00 176.91 177.77 1pyg h VAL 100 N -0.13 0.15 -0.03 -2.22 2.07 -0.80 0.68 116.25 115.98 1pyg h VAL 100 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1pyg h VAL 100 Cb 0.25 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1pyg h VAL 100 CO -0.20 0.00 0.06 0.78 0.02 0.00 0.00 177.57 178.23 1pyg h ASN 101 N -0.72 0.00 -0.02 0.57 4.21 -0.89 -0.16 115.58 118.58 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 0.71 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1pyg h ASN 101 CO -0.19 0.00 -0.23 0.18 -1.29 0.00 0.00 177.43 175.90 1pyg n LEU 102 N -3.41 2.09 -0.82 1.61 4.32 -0.45 -0.19 117.00 120.15 1pyg n LEU 102 Ca -0.02 -0.86 -0.11 0.00 -0.02 0.00 0.00 56.01 55.00 1pyg n LEU 102 Cb 0.14 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.90 1pyg n LEU 102 CO 0.23 0.38 -0.10 0.00 -1.22 0.00 0.00 177.39 176.68 1pyg n ALA 103 N 0.37 -0.16 0.28 -1.18 0.00 -0.07 -4.89 120.51 114.85 1pyg n ALA 103 Ca 0.09 0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.82 1pyg n ALA 103 Cb 0.42 -1.38 0.19 0.00 0.00 0.00 0.00 19.45 18.69 1pyg n ALA 103 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1pyg h LEU 104 N 0.00 0.00 -0.83 0.00 3.38 -1.19 -3.40 115.31 113.27 1pyg h LEU 104 Ca -0.22 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.94 1pyg h LEU 104 Cb 0.81 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 1pyg h LEU 104 CO 0.32 0.00 -0.05 -0.08 0.09 0.00 0.00 178.44 178.72 1pyg h GLU 105 N 0.00 0.05 -0.13 1.13 4.81 -1.85 -0.56 114.58 118.03 1pyg h GLU 105 Ca 0.00 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1pyg h GLU 105 Cb 0.95 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.32 1pyg h GLU 105 CO 0.00 0.04 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.38 1pyg h ASN 106 N 0.06 0.24 -0.82 1.04 -0.26 -1.93 -2.13 115.58 111.79 1pyg h ASN 106 Ca 0.45 -0.36 -0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1pyg h ASN 106 Cb 0.79 -0.07 -0.04 0.00 -1.06 0.00 0.00 38.32 37.95 1pyg h ASN 106 CO -0.77 0.55 0.37 0.00 -1.06 0.00 0.00 177.43 176.51 1pyg h ALA 107 N 0.71 1.11 0.00 -0.83 0.00 -1.62 -0.57 119.26 118.05 1pyg h ALA 107 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pyg h ALA 107 Cb 0.44 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1pyg h ALA 107 CO 0.01 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1pyg h ASP 109 N 0.00 0.11 -0.31 0.00 1.82 -0.44 -2.81 116.42 114.79 1pyg h ASP 109 Ca 0.00 -0.92 -0.01 0.00 -0.39 0.00 0.00 57.03 55.71 1pyg h ASP 109 Cb 0.35 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1pyg h ASP 109 CO 0.00 1.17 0.15 -0.08 -1.61 0.00 0.00 179.24 178.87 1pyg h GLU 110 N -0.85 0.45 0.09 0.28 4.57 -1.24 -0.89 114.58 117.00 1pyg h GLU 110 Ca -0.09 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1pyg h GLU 110 Cb 1.20 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 1pyg h GLU 110 CO 0.00 0.43 -0.25 0.00 -1.18 0.00 0.00 179.01 178.01 1pyg h ALA 111 N 1.00 -0.40 -0.61 2.92 0.00 -1.31 0.22 119.26 121.08 1pyg h ALA 111 Ca 0.11 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1pyg h ALA 111 Cb 0.13 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1pyg h ALA 111 CO -0.01 -0.78 0.41 1.15 0.00 0.00 0.00 179.25 180.02 1pyg h THR 112 N -0.44 0.90 -0.13 0.00 2.02 -1.35 -0.93 112.91 112.98 1pyg h THR 112 Ca 0.04 -0.15 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1pyg h THR 112 Cb 0.48 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1pyg h THR 112 CO -0.16 0.08 -0.12 0.22 0.37 0.00 0.00 175.52 175.91 1pyg h TYR 113 N 0.43 0.36 0.00 3.16 3.20 0.09 0.13 116.97 124.33 1pyg h TYR 113 Ca 0.28 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1pyg h TYR 113 Cb 0.54 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1pyg h TYR 113 CO -0.00 0.71 0.00 1.04 -1.64 0.00 0.00 178.16 178.26 1pyg n GLN 114 N -4.60 0.14 -0.47 1.82 6.02 0.64 -0.21 117.38 120.72 1pyg n GLN 114 Ca -0.06 0.50 0.10 0.00 -0.01 0.00 0.00 57.00 57.53 1pyg n GLN 114 Cb 0.34 -1.85 0.33 0.00 1.02 0.00 0.00 30.24 30.08 1pyg n GLN 114 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1pyg n LEU 115 N -2.14 4.26 -3.63 1.08 4.77 -0.46 -4.97 117.00 115.91 1pyg n LEU 115 Ca 0.01 -2.23 -0.24 0.00 -0.03 0.00 0.00 56.01 53.52 1pyg n LEU 115 Cb 0.13 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.78 1pyg n LEU 115 CO 0.14 0.89 0.20 0.61 -1.33 0.00 0.00 177.39 177.89 1pyg n GLY 116 N 1.28 -0.51 3.59 -0.72 0.00 0.71 -5.03 105.19 104.51 1pyg n GLY 116 Ca 0.24 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 46.22 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 -7.16 2.84 -0.34 0.99 1.43 0.40 -5.01 118.68 111.82 1pyg s LEU 117 Ca 0.50 -1.23 0.03 0.00 -1.03 0.00 0.00 54.13 52.41 1pyg s LEU 117 Cb -0.23 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 45.06 1pyg s LEU 117 CO 0.75 -0.31 0.04 -0.62 0.23 0.00 0.00 176.35 176.44 1pyg s ASP 118 N -3.67 4.78 0.55 2.29 2.15 -1.26 -4.15 116.67 117.35 1pyg s ASP 118 Ca 0.34 -2.04 0.24 0.00 0.43 0.00 0.00 52.55 51.53 1pyg s ASP 118 Cb 0.05 -1.64 1.45 0.00 -0.30 0.00 0.00 42.92 42.47 1pyg s ASP 118 CO 0.18 -0.37 2.06 -0.03 -0.17 0.00 0.00 175.17 176.83 1pyg h MET 119 N 7.68 0.00 0.00 4.34 1.85 -1.90 0.44 114.93 127.34 1pyg h MET 119 Ca -0.07 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.91 1pyg h MET 119 Cb 1.03 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.04 1pyg h MET 119 CO 0.53 0.00 -0.54 1.49 -0.40 0.00 0.00 176.91 177.99 1pyg h GLU 120 N 0.00 0.00 -0.19 0.39 4.81 -1.99 0.88 114.58 118.48 1pyg h GLU 120 Ca 0.15 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.20 1pyg h GLU 120 Cb 0.65 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1pyg h GLU 120 CO -0.00 0.54 -0.58 1.49 -0.73 0.00 0.00 179.01 179.73 1pyg h GLU 121 N 0.00 0.73 -0.30 1.92 4.81 -0.58 -1.90 114.58 119.26 1pyg h GLU 121 Ca -0.01 -0.53 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 1pyg h GLU 121 Cb 1.25 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1pyg h GLU 121 CO 0.07 1.15 -0.00 -0.07 -0.73 0.00 0.00 179.01 179.43 1pyg h LEU 122 N 0.44 0.51 -1.45 1.64 4.07 -1.09 -2.58 115.31 116.86 1pyg h LEU 122 Ca -0.02 -0.31 0.10 0.00 0.08 0.00 0.00 57.88 57.74 1pyg h LEU 122 Cb 1.20 -0.14 -0.05 0.00 1.08 0.00 0.00 40.66 42.75 1pyg h LEU 122 CO 0.12 0.70 0.49 -0.33 -1.08 0.00 0.00 178.44 178.34 1pyg h GLU 123 N 0.32 0.59 0.00 1.13 5.08 -0.69 -0.31 114.58 120.70 1pyg h GLU 123 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1pyg h GLU 123 Cb 0.43 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1pyg h GLU 123 CO 0.02 0.39 0.00 0.39 -1.00 0.00 0.00 179.01 178.81 1pyg n GLU 124 N -4.49 0.63 0.10 2.33 -0.58 -0.72 -2.69 120.64 115.21 1pyg n GLU 124 Ca 0.13 0.02 0.03 0.00 -0.42 0.00 0.00 57.16 56.91 1pyg n GLU 124 Cb 0.36 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.72 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 0.56 -3.80 -3.67 2.04 -0.92 -3.48 117.51 108.24 1pyg h ILE 125 Ca 0.00 -1.90 -0.53 0.00 1.00 0.00 0.00 64.86 63.43 1pyg h ILE 125 Cb 0.04 2.13 0.07 0.00 -0.74 0.00 0.00 36.82 38.31 1pyg h ILE 125 CO 0.00 0.32 0.67 -0.70 0.00 0.00 0.00 178.15 178.44 1pyg s GLU 126 N -3.01 4.31 0.34 2.37 2.12 -1.10 -4.99 118.70 118.75 1pyg s GLU 126 Ca 0.01 2.27 -0.11 0.00 0.36 0.00 0.00 54.97 57.49 1pyg s GLU 126 Cb 0.08 -3.07 -0.07 0.00 0.26 0.00 0.00 34.13 31.33 1pyg s GLU 126 CO 0.77 -0.26 0.70 -1.21 -0.54 0.00 0.00 175.26 174.72 1pyg s GLU 127 N -1.59 3.84 -0.08 4.30 2.02 -1.26 -5.02 118.70 120.92 1pyg s GLU 127 Ca 0.51 0.46 -0.30 0.00 0.02 0.00 0.00 54.97 55.67 1pyg s GLU 127 Cb -0.41 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1pyg s GLU 127 CO 0.52 0.11 1.46 -0.51 0.02 0.00 0.00 175.26 176.86 1pyg s ASP 128 N -2.74 6.81 -0.47 -0.19 1.11 -1.26 -4.71 116.67 115.23 1pyg s ASP 128 Ca 0.51 2.02 -0.29 0.00 0.18 0.00 0.00 52.55 54.97 1pyg s ASP 128 Cb -0.10 -2.54 -0.10 0.00 1.07 0.00 0.00 42.92 41.25 1pyg s ASP 128 CO 0.25 -0.82 2.36 0.00 1.18 0.00 0.00 175.17 178.14 1pyg n ALA 129 N 6.54 1.00 -0.79 5.23 0.00 0.60 -4.83 120.51 128.25 1pyg n ALA 129 Ca 0.15 -0.50 -0.27 0.00 0.00 0.00 0.00 53.44 52.83 1pyg n ALA 129 Cb 0.44 -2.87 -0.03 0.00 0.00 0.00 0.00 19.45 16.99 1pyg n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyg n GLY 130 N 6.16 2.83 0.15 0.00 0.00 -1.26 -4.30 105.19 108.77 1pyg n GLY 130 Ca 0.41 -0.90 0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 5.21 1.90 -3.93 0.99 4.77 -1.25 -3.92 117.00 120.77 1pyg n LEU 131 Ca 0.43 -1.67 -0.13 0.00 -0.03 0.00 0.00 56.01 54.61 1pyg n LEU 131 Cb 0.20 -0.04 -0.14 0.00 -2.33 0.00 0.00 43.42 41.11 1pyg n LEU 131 CO 0.79 0.47 -0.38 -0.83 -1.33 0.00 0.00 177.39 176.10 1pyg s GLY 132 N -0.74 0.16 0.10 -0.72 0.00 -1.18 -0.39 107.32 104.55 1pyg s GLY 132 Ca 0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 44.72 44.49 1pyg s GLY 132 CO 0.04 -0.20 1.23 -0.57 0.00 0.00 0.00 173.10 173.60 1pyg h ASN 133 N 5.81 0.62 0.00 1.64 -1.24 -1.93 -3.46 115.58 117.02 1pyg h ASN 133 Ca -0.27 -0.53 0.00 0.00 0.71 0.00 0.00 56.30 56.21 1pyg h ASN 133 Cb 1.20 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 40.06 1pyg h ASN 133 CO 0.49 1.35 0.00 0.61 -1.29 0.00 0.00 177.43 178.58 1pyg n GLY 134 N 1.12 -0.52 0.00 1.57 0.00 -1.26 -5.07 105.19 101.03 1pyg n GLY 134 Ca -0.09 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1pyg n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyg n GLY 135 N 0.00 -2.93 0.44 -0.02 0.00 -1.26 -1.55 105.19 99.87 1pyg n GLY 135 Ca 0.00 0.57 0.25 0.00 0.00 0.00 0.00 46.02 46.84 1pyg n GLY 135 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pyg h LEU 136 N 0.00 0.17 0.00 0.99 6.46 -1.98 0.16 115.31 121.12 1pyg h LEU 136 Ca 0.00 0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.59 1pyg h LEU 136 Cb 0.00 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 39.89 1pyg h LEU 136 CO 0.00 0.06 -1.08 1.23 -0.62 0.00 0.00 178.44 178.03 1pyg h GLY 137 N 0.17 0.00 1.11 3.75 0.00 -1.52 -2.15 103.07 104.43 1pyg h GLY 137 Ca 0.45 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.64 1pyg h GLY 137 CO -0.09 0.00 -0.29 -0.09 0.00 0.00 0.00 176.54 176.07 1pyg h ARG 138 N 0.00 0.96 0.10 4.80 1.12 0.30 0.59 114.38 122.25 1pyg h ARG 138 Ca -0.08 -0.46 0.00 0.00 -1.11 0.00 0.00 59.98 58.33 1pyg h ARG 138 Cb 1.70 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.65 1pyg h ARG 138 CO 0.09 1.12 -0.09 1.25 -3.11 0.00 0.00 179.97 179.23 1pyg h LEU 139 N 0.79 -0.25 -0.88 3.80 5.85 -1.08 0.76 115.31 124.30 1pyg h LEU 139 Ca 0.09 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.05 1pyg h LEU 139 Cb 0.88 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.87 1pyg h LEU 139 CO 0.08 -0.15 0.35 0.00 -0.34 0.00 0.00 178.44 178.38 1pyg h ALA 140 N 0.68 1.38 -0.10 1.25 0.00 -1.30 -0.68 119.26 120.49 1pyg h ALA 140 Ca 0.00 0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1pyg h ALA 140 Cb 0.20 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pyg h ALA 140 CO -0.03 -0.37 -0.72 0.00 0.00 0.00 0.00 179.25 178.13 1pyg h ALA 141 N 1.72 0.55 -0.06 0.00 0.00 0.46 -2.37 119.26 119.58 1pyg h ALA 141 Ca 0.55 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1pyg h ALA 141 Cb 1.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1pyg h ALA 141 CO -0.55 0.74 -0.44 0.00 0.00 0.00 0.00 179.25 178.99 1pyg h PHE 143 N 0.11 0.19 -0.91 0.00 0.04 -1.18 -2.68 116.94 112.51 1pyg h PHE 143 Ca 0.01 -0.09 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 1pyg h PHE 143 Cb 0.83 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 38.91 1pyg h PHE 143 CO 0.01 0.82 0.51 -0.07 -0.60 0.00 0.00 178.31 178.98 1pyg h LEU 144 N 0.09 1.13 -0.43 1.54 4.07 -0.94 -0.74 115.31 120.03 1pyg h LEU 144 Ca -0.02 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 57.79 1pyg h LEU 144 Cb 1.30 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 42.74 1pyg h LEU 144 CO 0.11 0.89 0.06 -0.78 -1.08 0.00 0.00 178.44 177.64 1pyg h ASP 145 N 1.27 0.69 0.11 -0.43 3.58 -1.55 -2.23 116.42 117.87 1pyg h ASP 145 Ca 0.32 -0.27 -0.21 0.00 0.42 0.00 0.00 57.03 57.30 1pyg h ASP 145 Cb 0.01 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1pyg h ASP 145 CO -0.05 0.78 -0.80 0.28 -2.88 0.00 0.00 179.24 176.57 1pyg h SER 146 N 0.58 0.68 -0.56 2.28 0.02 -1.10 -0.08 113.55 115.37 1pyg h SER 146 Ca 0.13 -0.47 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1pyg h SER 146 Cb 0.39 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1pyg h SER 146 CO 0.01 1.24 0.35 0.24 -1.14 0.00 0.00 176.83 177.53 1pyg h MET 147 N 0.37 0.68 -0.41 3.45 2.86 -1.11 -1.20 114.93 119.56 1pyg h MET 147 Ca -0.05 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 1pyg h MET 147 Cb 1.41 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.90 1pyg h MET 147 CO 0.15 0.45 0.19 0.00 1.06 0.00 0.00 176.91 178.76 1pyg h ALA 148 N 1.23 0.53 0.00 6.32 0.00 -1.38 0.22 119.26 126.18 1pyg h ALA 148 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1pyg h ALA 148 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pyg h ALA 148 CO -0.08 0.10 -0.20 1.15 0.00 0.00 0.00 179.25 180.23 1pyg h THR 149 N 0.52 0.71 -0.55 0.00 2.02 -0.60 -1.35 112.91 113.67 1pyg h THR 149 Ca 0.14 -0.82 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1pyg h THR 149 Cb 0.14 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1pyg h THR 149 CO -0.02 0.19 0.00 0.18 0.37 0.00 0.00 175.52 176.25 1pyg n LEU 150 N -3.68 3.97 -0.47 2.58 4.32 -0.49 -4.79 117.00 118.44 1pyg n LEU 150 Ca -0.01 -2.00 -0.06 0.00 -0.02 0.00 0.00 56.01 53.91 1pyg n LEU 150 Cb 0.32 -0.52 -0.03 0.00 -1.62 0.00 0.00 43.42 41.57 1pyg n LEU 150 CO 0.33 0.70 -0.06 0.61 -1.22 0.00 0.00 177.39 177.75 1pyg n GLY 151 N 1.05 0.73 3.75 -0.72 0.00 -0.51 -1.35 105.19 108.14 1pyg n GLY 151 Ca 0.21 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.40 4.57 -1.33 0.99 1.43 0.00 -4.79 118.68 118.16 1pyg s LEU 152 Ca 0.00 2.11 -0.16 0.00 -1.03 0.00 0.00 54.13 55.05 1pyg s LEU 152 Cb 0.00 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.68 1pyg s LEU 152 CO 0.00 -0.05 1.84 0.00 0.23 0.00 0.00 176.35 178.37 1pyg n ALA 153 N 1.58 4.22 -2.68 4.21 0.00 -1.26 -4.44 120.51 122.14 1pyg n ALA 153 Ca -0.01 -3.93 -0.27 0.00 0.00 0.00 0.00 53.44 49.23 1pyg n ALA 153 Cb 0.46 -3.49 -0.08 0.00 0.00 0.00 0.00 19.45 16.34 1pyg n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyg s ALA 154 N 3.43 3.26 0.00 0.00 0.00 -1.26 -1.07 121.76 126.11 1pyg s ALA 154 Ca 0.50 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.18 1pyg s ALA 154 Cb 0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.11 1pyg s ALA 154 CO 0.02 0.52 -0.09 0.71 0.00 0.00 0.00 175.76 176.92 1pyg s TYR 155 N -1.66 0.80 -0.26 0.00 1.51 -0.48 -4.02 117.35 113.24 1pyg s TYR 155 Ca 0.27 -0.19 -0.07 0.00 -1.01 0.00 0.00 57.07 56.07 1pyg s TYR 155 Cb -0.10 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.22 1pyg s TYR 155 CO 0.19 -0.01 0.07 0.20 -1.11 0.00 0.00 175.55 174.89 1pyg s GLY 156 N -0.40 1.77 -0.15 0.71 0.00 -0.43 -0.89 107.32 107.94 1pyg s GLY 156 Ca 0.02 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.57 1pyg s GLY 156 CO -0.00 0.55 -0.16 -0.19 0.00 0.00 0.00 173.10 173.30 1pyg s TYR 157 N 1.60 2.76 0.00 1.90 1.51 -1.08 -0.62 117.35 123.43 1pyg s TYR 157 Ca 0.06 -1.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.10 1pyg s TYR 157 Cb -0.15 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1pyg s TYR 157 CO 0.04 -0.45 0.00 0.41 -1.11 0.00 0.00 175.55 174.44 1pyg n GLY 158 N 3.97 4.65 3.74 0.71 0.00 -0.74 -2.58 105.19 114.93 1pyg n GLY 158 Ca -0.19 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.68 4.04 -0.70 -0.61 1.01 -1.26 -2.40 121.20 120.60 1pyg s ILE 159 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 60.65 59.10 1pyg s ILE 159 Cb 0.00 -3.13 0.18 0.00 0.01 0.00 0.00 42.46 39.53 1pyg s ILE 159 CO 0.00 -0.27 0.55 -0.60 0.00 0.00 0.00 174.94 174.62 1pyg s ARG 160 N -3.49 2.91 0.09 2.79 3.52 0.04 -4.62 118.95 120.18 1pyg s ARG 160 Ca 0.31 -2.55 -0.31 0.00 -0.13 0.00 0.00 55.73 53.05 1pyg s ARG 160 Cb -0.08 -3.95 -0.09 0.00 -1.56 0.00 0.00 34.95 29.27 1pyg s ARG 160 CO 0.22 -1.21 1.69 0.71 -0.81 0.00 0.00 175.30 175.90 1pyg s TYR 161 N -0.06 2.40 0.15 5.12 2.02 -1.26 -4.82 117.35 120.90 1pyg s TYR 161 Ca 0.18 0.25 -0.10 0.00 -0.37 0.00 0.00 57.07 57.03 1pyg s TYR 161 Cb -0.17 -4.02 -0.01 0.00 -0.40 0.00 0.00 41.96 37.36 1pyg s TYR 161 CO -0.05 -4.10 1.48 1.49 -1.57 0.00 0.00 175.55 172.80 1pyg h GLU 162 N 8.27 0.88 -3.64 -0.62 4.57 -1.90 -3.39 114.58 118.76 1pyg h GLU 162 Ca -0.43 -0.48 -0.41 0.00 -1.18 0.00 0.00 59.36 56.86 1pyg h GLU 162 Cb 1.21 0.02 -0.38 0.00 -0.16 0.00 0.00 28.75 29.44 1pyg h GLU 162 CO 0.93 1.12 -0.76 -0.06 -1.18 0.00 0.00 179.01 179.07 1pyg s PHE 163 N -4.34 0.51 0.95 0.92 0.40 -1.26 -4.44 117.98 110.71 1pyg s PHE 163 Ca -0.10 -0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1pyg s PHE 163 Cb 0.11 -0.68 0.16 0.00 0.51 0.00 0.00 43.02 43.12 1pyg s PHE 163 CO 0.88 -0.27 1.10 0.20 0.70 0.00 0.00 175.22 177.83 1pyg s GLY 164 N 1.83 1.58 0.28 4.36 0.00 -0.34 -4.91 107.32 110.12 1pyg s GLY 164 Ca 0.02 -0.35 -0.29 0.00 0.00 0.00 0.00 44.72 44.10 1pyg s GLY 164 CO -0.04 0.21 1.09 4.51 0.00 0.00 0.00 173.10 178.88 1pyg n ILE 165 N -3.97 1.77 -0.55 0.90 3.06 -1.26 -3.34 119.36 115.96 1pyg n ILE 165 Ca 0.06 -0.44 -0.18 0.00 -2.50 0.00 0.00 62.75 59.69 1pyg n ILE 165 Cb 0.57 -1.08 0.01 0.00 0.54 0.00 0.00 39.64 39.68 1pyg n ILE 165 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1pyg n PHE 166 N 0.54 -1.45 -3.69 9.51 -1.74 -1.26 -4.47 117.46 114.90 1pyg n PHE 166 Ca 0.10 0.18 -0.36 0.00 -0.56 0.00 0.00 57.45 56.80 1pyg n PHE 166 Cb 0.31 -0.75 -0.10 0.00 1.52 0.00 0.00 39.48 40.46 1pyg n PHE 166 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 1pyg s ASN 167 N -0.45 6.02 0.28 5.98 0.02 0.20 -4.77 114.94 122.21 1pyg s ASN 167 Ca 0.25 0.08 -0.29 0.00 -1.02 0.00 0.00 52.86 51.88 1pyg s ASN 167 Cb -0.21 -2.09 -0.10 0.00 0.02 0.00 0.00 41.25 38.88 1pyg s ASN 167 CO 0.31 0.06 1.13 -1.58 0.02 0.00 0.00 177.10 177.04 1pyg s GLN 168 N 1.09 4.60 -0.16 -0.60 0.74 -1.26 -0.63 119.66 123.44 1pyg s GLN 168 Ca 0.07 1.86 -0.02 0.00 0.05 0.00 0.00 55.36 57.32 1pyg s GLN 168 Cb -0.14 -3.18 0.05 0.00 1.10 0.00 0.00 33.01 30.85 1pyg s GLN 168 CO 0.05 0.15 0.01 0.21 -0.55 0.00 0.00 175.29 175.16 1pyg s LYS 169 N -1.45 0.77 -0.64 1.67 2.47 0.48 -4.10 119.74 118.94 1pyg s LYS 169 Ca 0.45 -0.30 -0.23 0.00 -1.56 0.00 0.00 55.97 54.33 1pyg s LYS 169 Cb -0.33 -1.80 0.06 0.00 -1.46 0.00 0.00 37.83 34.30 1pyg s LYS 169 CO 0.42 -0.52 0.99 0.42 0.16 0.00 0.00 175.35 176.83 1pyg s ILE 170 N 1.85 4.27 -0.35 5.43 -1.09 -1.26 0.17 121.20 130.23 1pyg s ILE 170 Ca 0.01 -0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.13 1pyg s ILE 170 Cb -0.16 -4.68 -0.01 0.00 -1.58 0.00 0.00 42.46 36.04 1pyg s ILE 170 CO -0.07 -1.43 0.40 0.00 -1.23 0.00 0.00 174.94 172.61 1pyg n GLY 172 N 4.93 -0.33 3.29 0.00 0.00 -1.26 -1.07 105.19 110.75 1pyg n GLY 172 Ca -0.08 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.63 2.86 3.94 -0.02 0.00 -1.26 -4.98 105.19 104.09 1pyg n GLY 173 Ca -0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.98 3.31 -0.05 1.61 0.52 -0.23 -3.71 118.94 119.41 1pyg s TRP 174 Ca 0.00 0.42 -0.01 0.00 0.02 0.00 0.00 56.10 56.53 1pyg s TRP 174 Cb 0.00 -2.35 -0.03 0.00 -1.15 0.00 0.00 33.47 29.93 1pyg s TRP 174 CO 0.00 -0.39 0.01 -1.14 0.02 0.00 0.00 176.95 175.45 1pyg s GLN 175 N -4.65 2.92 -0.04 4.98 0.74 -1.26 0.14 119.66 122.50 1pyg s GLN 175 Ca 0.48 -0.48 0.07 0.00 0.05 0.00 0.00 55.36 55.48 1pyg s GLN 175 Cb -0.10 -2.76 -0.02 0.00 1.10 0.00 0.00 33.01 31.23 1pyg s GLN 175 CO 0.40 0.67 -0.25 -1.64 -0.55 0.00 0.00 175.29 173.92 1pyg s MET 176 N -1.17 2.32 -0.80 1.67 -1.94 0.46 -4.86 119.30 114.98 1pyg s MET 176 Ca 0.16 -0.91 -0.15 0.00 -1.71 0.00 0.00 55.69 53.08 1pyg s MET 176 Cb -0.11 -2.11 0.19 0.00 2.01 0.00 0.00 34.83 34.81 1pyg s MET 176 CO 0.06 0.48 0.78 -1.21 -0.01 0.00 0.00 175.02 175.12 1pyg s GLU 177 N -0.42 3.51 0.53 2.03 8.01 -1.26 -0.39 118.70 130.72 1pyg s GLU 177 Ca 0.04 -2.24 -0.12 0.00 0.01 0.00 0.00 54.97 52.66 1pyg s GLU 177 Cb -0.12 -4.47 -0.06 0.00 -4.31 0.00 0.00 34.13 25.18 1pyg s GLU 177 CO 0.01 -1.37 0.94 -1.21 0.01 0.00 0.00 175.26 173.65 1pyg s GLU 178 N 0.75 3.73 -0.00 1.61 2.02 0.20 -4.86 118.70 122.14 1pyg s GLU 178 Ca 0.18 0.69 -0.30 0.00 0.02 0.00 0.00 54.97 55.56 1pyg s GLU 178 Cb -0.12 -2.19 -0.07 0.00 0.10 0.00 0.00 34.13 31.85 1pyg s GLU 178 CO -0.07 -0.34 1.83 0.00 0.02 0.00 0.00 175.26 176.70 1pyg s ALA 179 N -2.82 3.60 -1.21 5.21 0.00 -1.26 -0.63 121.76 124.64 1pyg s ALA 179 Ca 0.55 1.16 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 1pyg s ALA 179 Cb -0.10 -3.80 0.18 0.00 0.00 0.00 0.00 23.12 19.40 1pyg s ALA 179 CO 0.42 -1.49 1.45 -3.47 0.00 0.00 0.00 175.76 172.67 1pyg n ASP 180 N 7.35 5.25 -2.25 0.00 2.03 -1.21 -4.61 116.55 123.11 1pyg n ASP 180 Ca 0.19 -3.00 -0.21 0.00 0.52 0.00 0.00 54.79 52.28 1pyg n ASP 180 Cb 0.42 -1.54 -0.05 0.00 -0.72 0.00 0.00 41.12 39.22 1pyg n ASP 180 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1pyg n ASP 181 N 5.15 6.23 -0.34 1.67 2.03 -1.26 -1.20 116.55 128.82 1pyg n ASP 181 Ca 0.36 -3.03 0.13 0.00 0.52 0.00 0.00 54.79 52.77 1pyg n ASP 181 Cb 0.42 -1.22 0.32 0.00 -0.72 0.00 0.00 41.12 39.91 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 2.60 1.01 0.00 -0.67 5.08 -1.86 -2.81 115.95 119.30 1pyg h TRP 182 Ca 0.32 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.33 1pyg h TRP 182 Cb 0.90 -0.30 0.00 0.00 -3.00 0.00 0.00 29.16 26.76 1pyg h TRP 182 CO 1.33 0.19 0.00 1.28 -1.28 0.00 0.00 178.44 179.97 1pyg n LEU 183 N -4.81 0.00 -0.30 0.11 4.77 -1.26 -4.34 117.00 111.17 1pyg n LEU 183 Ca 0.23 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.16 1pyg n LEU 183 Cb 0.59 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.67 1pyg n LEU 183 CO 0.20 0.00 0.57 0.03 -1.33 0.00 0.00 177.39 176.86 1pyg h ARG 184 N 0.00 -0.10 -0.55 3.23 3.08 -1.87 -1.31 114.38 116.87 1pyg h ARG 184 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1pyg h ARG 184 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1pyg h ARG 184 CO 0.00 -0.06 0.00 0.66 -1.07 0.00 0.00 179.97 179.50 1pyg n TYR 185 N -5.42 0.73 -0.23 3.04 4.01 -1.26 -5.03 117.16 113.00 1pyg n TYR 185 Ca 0.05 -0.37 0.00 0.00 -0.16 0.00 0.00 57.90 57.43 1pyg n TYR 185 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.39 1pyg n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyg n GLY 186 N 1.40 -2.97 3.37 2.72 0.00 -0.49 -4.95 105.19 104.27 1pyg n GLY 186 Ca 0.19 -1.24 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.41 5.48 0.00 1.61 2.47 -1.26 -4.99 114.94 114.83 1pyg s ASN 187 Ca 0.00 -0.81 0.10 0.00 0.42 0.00 0.00 52.86 52.56 1pyg s ASN 187 Cb 0.00 -1.96 0.42 0.00 -1.45 0.00 0.00 41.25 38.26 1pyg s ASN 187 CO 0.00 -0.28 1.28 -0.81 -3.72 0.00 0.00 177.10 173.58 1pyg n PRO 188 N 4.94 0.03 0.05 0.43 -0.04 -1.26 -3.14 135.00 136.01 1pyg n PRO 188 Ca -0.13 0.31 0.01 0.00 -0.04 0.00 0.00 63.50 63.65 1pyg n PRO 188 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 1pyg n PRO 188 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1pyg h TRP 189 N 0.00 0.00 -3.20 0.54 4.06 -1.95 -3.48 115.95 111.93 1pyg h TRP 189 Ca 0.00 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 1pyg h TRP 189 Cb 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.27 1pyg h TRP 189 CO 0.00 0.53 -0.15 -1.83 -3.56 0.00 0.00 178.44 173.43 1pyg s GLU 190 N -2.96 3.92 -0.17 0.49 -1.05 -1.19 -4.41 118.70 113.34 1pyg s GLU 190 Ca -0.02 0.40 0.01 0.00 -0.15 0.00 0.00 54.97 55.21 1pyg s GLU 190 Cb 0.09 -3.03 0.03 0.00 -0.44 0.00 0.00 34.13 30.77 1pyg s GLU 190 CO 0.80 0.55 -0.15 0.21 0.95 0.00 0.00 175.26 177.62 1pyg s LYS 191 N -1.72 2.44 0.29 -4.83 2.47 0.31 -4.89 119.74 113.81 1pyg s LYS 191 Ca 0.33 -0.69 -0.29 0.00 -1.56 0.00 0.00 55.97 53.76 1pyg s LYS 191 Cb -0.15 -2.29 -0.10 0.00 -1.46 0.00 0.00 37.83 33.83 1pyg s LYS 191 CO 0.18 -0.26 1.41 0.00 0.16 0.00 0.00 175.35 176.83 1pyg s ALA 192 N 1.41 3.58 -0.78 3.13 0.00 -1.26 -0.94 121.76 126.91 1pyg s ALA 192 Ca 0.04 1.34 0.03 0.00 0.00 0.00 0.00 51.96 53.37 1pyg s ALA 192 Cb -0.13 -3.54 0.20 0.00 0.00 0.00 0.00 23.12 19.64 1pyg s ALA 192 CO -0.11 -0.75 0.65 0.54 0.00 0.00 0.00 175.76 176.09 1pyg n ARG 193 N 1.65 2.25 -0.34 0.00 1.74 0.26 -4.92 116.66 117.30 1pyg n ARG 193 Ca 0.04 -4.51 -0.01 0.00 -0.77 0.00 0.00 57.85 52.60 1pyg n ARG 193 Cb 0.41 -2.33 0.13 0.00 -1.02 0.00 0.00 32.46 29.64 1pyg n ARG 193 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1pyg h PRO 194 N 5.45 1.12 0.00 5.56 0.11 -1.95 -0.45 132.00 141.83 1pyg h PRO 194 Ca 0.16 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1pyg h PRO 194 Cb 0.76 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.61 1pyg h PRO 194 CO 0.79 0.74 0.10 -0.85 -0.21 0.00 0.00 178.00 178.57 1pyg n GLU 195 N -4.51 0.04 -1.07 1.05 0.00 -1.26 -1.90 120.64 112.99 1pyg n GLU 195 Ca 0.12 0.48 -0.05 0.00 0.00 0.00 0.00 57.16 57.71 1pyg n GLU 195 Cb 0.10 -1.74 0.15 0.00 0.00 0.00 0.00 31.44 29.95 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 -1.69 1.05 -2.46 -1.84 3.72 -0.18 -5.04 117.46 111.03 1pyg n PHE 196 Ca -0.00 -1.77 -0.43 0.00 -0.05 0.00 0.00 57.45 55.20 1pyg n PHE 196 Cb 0.11 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.28 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 -3.69 4.29 0.17 4.37 2.01 -0.80 -4.54 115.64 117.45 1pyg s THR 197 Ca 0.43 1.59 0.04 0.00 0.31 0.00 0.00 61.69 64.06 1pyg s THR 197 Cb 0.39 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1pyg s THR 197 CO -0.03 -0.05 0.25 -0.76 -0.69 0.00 0.00 174.62 173.35 1pyg s LEU 198 N 2.62 4.18 0.39 4.42 1.43 -0.43 -4.91 118.68 126.38 1pyg s LEU 198 Ca 0.55 0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.57 1pyg s LEU 198 Cb -0.23 -2.76 -0.08 0.00 0.03 0.00 0.00 46.19 43.15 1pyg s LEU 198 CO 0.19 0.04 0.81 -2.16 0.23 0.00 0.00 176.35 175.47 1pyg s PRO 199 N -3.29 3.95 -0.03 1.29 0.04 -1.26 -0.54 135.00 135.16 1pyg s PRO 199 Ca 0.33 0.71 0.01 0.00 0.04 0.00 0.00 61.00 62.09 1pyg s PRO 199 Cb -0.10 -2.34 0.02 0.00 0.04 0.00 0.00 34.50 32.11 1pyg s PRO 199 CO 0.27 0.00 -0.04 0.08 0.04 0.00 0.00 177.00 177.35 1pyg s VAL 200 N -2.24 0.45 0.06 -0.36 1.01 -0.03 -4.82 120.40 114.48 1pyg s VAL 200 Ca 0.55 -0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1pyg s VAL 200 Cb -0.10 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 1pyg s VAL 200 CO 0.23 0.19 -0.08 -1.00 0.00 0.00 0.00 175.10 174.44 1pyg s HIS 201 N 0.66 2.82 0.12 5.22 3.76 -1.26 -0.76 115.29 125.85 1pyg s HIS 201 Ca -0.08 -0.10 0.02 0.00 -0.15 0.00 0.00 55.06 54.75 1pyg s HIS 201 Cb -0.11 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 1pyg s HIS 201 CO -0.00 0.40 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.17 1pyg s PHE 202 N -1.13 0.99 0.00 1.40 0.08 0.40 -4.97 117.98 114.76 1pyg s PHE 202 Ca 0.20 -0.90 0.00 0.00 0.12 0.00 0.00 56.93 56.35 1pyg s PHE 202 Cb -0.11 -0.56 0.00 0.00 -0.57 0.00 0.00 43.02 41.78 1pyg s PHE 202 CO 0.12 -0.12 0.00 0.66 -0.10 0.00 0.00 175.22 175.78 1pyg n TYR 203 N -0.09 0.00 -0.50 0.36 4.01 0.10 -0.67 117.16 120.38 1pyg n TYR 203 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 1pyg n TYR 203 Cb 0.61 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 1pyg n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pyg n GLY 204 N 0.00 -2.82 3.37 2.72 0.00 -1.20 -4.62 105.19 102.65 1pyg n GLY 204 Ca 0.00 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.97 1pyg n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1pyg s ARG 205 N -0.49 1.39 -0.06 1.61 1.70 -0.20 -4.84 118.95 118.05 1pyg s ARG 205 Ca 0.00 -1.49 0.03 0.00 -0.47 0.00 0.00 55.73 53.79 1pyg s ARG 205 Cb 0.00 0.36 0.01 0.00 -0.57 0.00 0.00 34.95 34.75 1pyg s ARG 205 CO 0.00 -0.52 -0.14 0.08 -1.08 0.00 0.00 175.30 173.65 1pyg s VAL 206 N -4.03 1.22 0.07 4.99 1.01 -1.26 -0.11 120.40 122.29 1pyg s VAL 206 Ca 0.32 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1pyg s VAL 206 Cb 0.03 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 1pyg s VAL 206 CO 0.12 0.37 0.02 -1.61 0.00 0.00 0.00 175.10 174.00 1pyg s GLU 207 N 0.53 2.71 -0.33 2.72 2.02 0.47 -4.94 118.70 121.87 1pyg s GLU 207 Ca -0.13 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.14 1pyg s GLU 207 Cb -0.15 -2.63 0.08 0.00 0.10 0.00 0.00 34.13 31.54 1pyg s GLU 207 CO 0.04 0.57 0.03 -1.01 0.02 0.00 0.00 175.26 174.91 1pyg s HIS 208 N -1.28 3.54 0.47 1.61 3.76 -1.26 0.11 115.29 122.24 1pyg s HIS 208 Ca 0.25 -2.57 0.02 0.00 -0.15 0.00 0.00 55.06 52.61 1pyg s HIS 208 Cb -0.12 -2.62 0.09 0.00 1.11 0.00 0.00 32.58 31.04 1pyg s HIS 208 CO 0.18 -0.92 0.64 0.25 -0.85 0.00 0.00 174.74 174.04 1pyg n THR 209 N 4.41 0.00 -0.01 1.30 -2.24 0.13 -4.97 114.28 112.90 1pyg n THR 209 Ca -0.04 -1.15 -0.09 0.00 -2.27 0.00 0.00 64.05 60.49 1pyg n THR 209 Cb 0.42 -0.93 -0.04 0.00 -2.10 0.00 0.00 70.33 67.68 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 -0.26 -0.24 1.40 3.42 4.64 -2.01 -2.45 113.55 118.04 1pyg h SER 210 Ca -0.21 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1pyg h SER 210 Cb 0.84 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1pyg h SER 210 CO 0.25 -0.10 -0.04 0.00 -0.87 0.00 0.00 176.83 176.07 1pyg n GLN 211 N -5.22 0.24 0.00 4.77 3.00 -1.26 -5.02 117.38 113.90 1pyg n GLN 211 Ca -0.03 0.19 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1pyg n GLN 211 Cb 0.14 -1.77 0.00 0.00 0.00 0.00 0.00 30.24 28.61 1pyg n GLN 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pyg n GLY 212 N 1.33 -0.52 3.37 1.08 0.00 -0.92 -5.13 105.19 104.39 1pyg n GLY 212 Ca 0.06 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1pyg n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg s ALA 213 N -1.00 2.19 -0.02 4.61 0.00 -1.26 0.19 121.76 126.48 1pyg s ALA 213 Ca 0.00 -1.57 -0.00 0.00 0.00 0.00 0.00 51.96 50.39 1pyg s ALA 213 Cb 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1pyg s ALA 213 CO 0.00 0.27 0.02 0.21 0.00 0.00 0.00 175.76 176.26 1pyg s LYS 214 N -2.89 -0.03 -0.37 0.00 2.47 0.12 -4.89 119.74 114.14 1pyg s LYS 214 Ca 0.19 0.15 -0.10 0.00 -1.56 0.00 0.00 55.97 54.64 1pyg s LYS 214 Cb -0.06 -0.19 0.03 0.00 -1.46 0.00 0.00 37.83 36.16 1pyg s LYS 214 CO 0.08 -0.13 0.19 -0.46 0.16 0.00 0.00 175.35 175.20 1pyg s TRP 215 N 0.81 3.25 0.32 4.03 -0.00 -1.26 -0.39 118.94 125.70 1pyg s TRP 215 Ca -0.07 -1.09 0.09 0.00 -0.00 0.00 0.00 56.10 55.04 1pyg s TRP 215 Cb -0.10 -2.44 -0.05 0.00 -0.00 0.00 0.00 33.47 30.88 1pyg s TRP 215 CO -0.02 -0.68 -0.00 0.14 -0.00 0.00 0.00 176.95 176.39 1pyg s VAL 216 N 1.52 2.80 -1.12 5.86 -7.23 0.84 -4.86 120.40 118.21 1pyg s VAL 216 Ca 0.01 -1.98 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 1pyg s VAL 216 Cb -0.19 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 33.96 1pyg s VAL 216 CO 0.06 -0.25 0.81 0.47 -0.31 0.00 0.00 175.10 175.88 1pyg n ASP 217 N -0.93 -5.58 -4.82 4.85 8.00 -1.26 -1.03 116.55 115.78 1pyg n ASP 217 Ca -0.05 -0.96 -0.27 0.00 0.71 0.00 0.00 54.79 54.22 1pyg n ASP 217 Cb 0.61 -3.67 -0.05 0.00 -0.02 0.00 0.00 41.12 38.00 1pyg n ASP 217 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1pyg s THR 218 N -3.44 4.68 0.09 -3.53 -4.23 -1.26 -3.24 115.64 104.71 1pyg s THR 218 Ca 0.47 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.77 1pyg s THR 218 Cb -0.15 -3.36 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 1pyg s THR 218 CO 0.84 -0.04 0.94 -1.10 -0.54 0.00 0.00 174.62 174.72 1pyg s GLN 219 N -2.94 4.66 -0.13 3.99 -0.21 0.16 -4.88 119.66 120.29 1pyg s GLN 219 Ca 0.31 1.40 -0.01 0.00 0.02 0.00 0.00 55.36 57.09 1pyg s GLN 219 Cb -0.11 -3.39 -0.02 0.00 1.00 0.00 0.00 33.01 30.49 1pyg s GLN 219 CO 0.24 0.18 -0.09 0.08 -2.12 0.00 0.00 175.29 173.58 1pyg s VAL 220 N 0.15 3.41 0.20 1.09 1.01 -1.26 -0.45 120.40 124.55 1pyg s VAL 220 Ca 0.47 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 62.00 1pyg s VAL 220 Cb -0.23 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1pyg s VAL 220 CO 0.29 0.52 -0.05 -0.69 0.00 0.00 0.00 175.10 175.17 1pyg s VAL 221 N 0.23 3.37 -0.11 2.92 1.01 0.06 -4.67 120.40 123.22 1pyg s VAL 221 Ca -0.06 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.24 1pyg s VAL 221 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1pyg s VAL 221 CO 0.04 -0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.07 1pyg s LEU 222 N -3.10 2.75 -0.38 3.92 1.43 -0.78 -0.85 118.68 121.67 1pyg s LEU 222 Ca 0.27 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 52.95 1pyg s LEU 222 Cb -0.08 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.54 1pyg s LEU 222 CO 0.17 0.21 0.28 0.00 0.23 0.00 0.00 176.35 177.24 1pyg s ALA 223 N 0.09 3.48 -0.20 4.21 0.00 0.30 -1.54 121.76 128.10 1pyg s ALA 223 Ca -0.05 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.26 1pyg s ALA 223 Cb -0.15 -2.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 1pyg s ALA 223 CO 0.04 -1.28 -0.00 1.41 0.00 0.00 0.00 175.76 175.93 1pyg s MET 224 N 1.69 3.62 0.37 0.00 1.75 0.25 -1.32 119.30 125.66 1pyg s MET 224 Ca 0.05 -0.52 -0.10 0.00 -1.25 0.00 0.00 55.69 53.87 1pyg s MET 224 Cb -0.18 -3.07 -0.07 0.00 2.84 0.00 0.00 34.83 34.35 1pyg s MET 224 CO 0.10 0.02 0.73 -1.25 -0.65 0.00 0.00 175.02 173.97 1pyg s PRO 225 N 0.96 3.79 -0.06 4.11 0.04 -1.26 -0.37 135.00 142.21 1pyg s PRO 225 Ca 0.01 0.43 0.06 0.00 0.04 0.00 0.00 61.00 61.54 1pyg s PRO 225 Cb -0.14 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.95 1pyg s PRO 225 CO 0.02 0.04 -0.23 0.71 0.04 0.00 0.00 177.00 177.57 1pyg s TYR 226 N -2.25 2.32 -0.16 0.56 1.51 -0.07 -0.58 117.35 118.69 1pyg s TYR 226 Ca 0.51 -0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1pyg s TYR 226 Cb -0.10 -1.53 -0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1pyg s TYR 226 CO 0.29 -0.23 -0.06 -0.51 -1.11 0.00 0.00 175.55 173.92 1pyg s ASP 227 N -0.06 4.55 -0.12 2.29 1.11 -0.11 -2.33 116.67 121.99 1pyg s ASP 227 Ca -0.06 -0.21 0.03 0.00 0.18 0.00 0.00 52.55 52.49 1pyg s ASP 227 Cb -0.14 -1.74 0.00 0.00 1.07 0.00 0.00 42.92 42.12 1pyg s ASP 227 CO 0.04 0.14 -0.22 -0.89 1.18 0.00 0.00 175.17 175.43 1pyg s THR 228 N 0.51 2.18 0.37 -1.27 2.01 -0.59 -0.53 115.64 118.32 1pyg s THR 228 Ca -0.05 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.72 1pyg s THR 228 Cb -0.15 -1.86 -0.10 0.00 0.01 0.00 0.00 72.50 70.40 1pyg s THR 228 CO 0.03 0.55 1.40 -2.16 -0.69 0.00 0.00 174.62 173.75 1pyg s PRO 229 N 0.58 4.13 -0.20 4.92 0.04 -1.26 -1.12 135.00 142.09 1pyg s PRO 229 Ca -0.12 2.40 -0.01 0.00 0.04 0.00 0.00 61.00 63.31 1pyg s PRO 229 Cb -0.17 -2.94 0.05 0.00 0.04 0.00 0.00 34.50 31.48 1pyg s PRO 229 CO 0.04 -0.45 -0.03 0.14 0.04 0.00 0.00 177.00 176.73 1pyg s VAL 230 N -1.15 1.11 -0.04 -0.36 -7.23 0.26 -4.88 120.40 108.10 1pyg s VAL 230 Ca 0.53 -0.81 -0.14 0.00 -1.81 0.00 0.00 61.98 59.75 1pyg s VAL 230 Cb -0.43 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 1pyg s VAL 230 CO 0.58 -0.03 0.38 -2.16 -0.31 0.00 0.00 175.10 173.55 1pyg s PRO 231 N 1.61 3.96 0.63 4.82 0.04 -1.26 -0.87 135.00 143.93 1pyg s PRO 231 Ca -0.02 0.32 -0.12 0.00 0.04 0.00 0.00 61.00 61.23 1pyg s PRO 231 Cb -0.17 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.08 1pyg s PRO 231 CO -0.07 0.58 1.04 0.20 0.04 0.00 0.00 177.00 178.79 1pyg s GLY 232 N -0.69 1.74 -0.44 0.56 0.00 -0.30 -4.82 107.32 103.38 1pyg s GLY 232 Ca 0.22 0.04 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 1pyg s GLY 232 CO 0.11 0.33 1.76 -0.47 0.00 0.00 0.00 173.10 174.83 1pyg s TYR 233 N -3.01 1.84 -1.12 1.90 5.04 -1.26 -3.86 117.35 116.88 1pyg s TYR 233 Ca 0.57 0.69 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 1pyg s TYR 233 Cb -0.12 -4.14 0.00 0.00 0.35 0.00 0.00 41.96 38.04 1pyg s TYR 233 CO 0.51 -2.59 0.00 0.54 -1.34 0.00 0.00 175.55 172.67 1pyg n ARG 234 N 8.63 -1.60 0.00 4.97 1.74 0.73 -4.79 116.66 126.35 1pyg n ARG 234 Ca 0.21 0.63 0.09 0.00 -0.77 0.00 0.00 57.85 58.00 1pyg n ARG 234 Cb 0.49 -4.96 0.01 0.00 -1.02 0.00 0.00 32.46 26.97 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 -0.79 1.83 0.00 0.55 6.94 -1.25 -4.96 115.26 117.58 1pyg n ASN 235 Ca -0.12 -1.42 0.00 0.00 -0.02 0.00 0.00 54.58 53.02 1pyg n ASN 235 Cb 0.45 0.40 0.00 0.00 -2.36 0.00 0.00 39.78 38.27 1pyg n ASN 235 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1pyg n ASN 236 N 0.08 -3.33 -4.61 0.53 3.02 -1.26 -1.18 115.26 108.50 1pyg n ASN 236 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 1pyg n ASN 236 Cb 0.38 -0.98 -0.08 0.00 -0.61 0.00 0.00 39.78 38.50 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 -1.91 5.07 -0.10 2.41 1.01 -1.26 -4.77 120.40 120.84 1pyg s VAL 237 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 61.98 62.83 1pyg s VAL 237 Cb 0.00 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.56 1pyg s VAL 237 CO 0.00 0.06 -0.14 -0.69 0.00 0.00 0.00 175.10 174.34 1pyg s VAL 238 N 2.31 1.34 0.44 2.92 1.01 -1.26 -1.15 120.40 126.02 1pyg s VAL 238 Ca 0.21 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.70 1pyg s VAL 238 Cb -0.16 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1pyg s VAL 238 CO 0.09 0.41 0.31 0.20 0.00 0.00 0.00 175.10 176.11 1pyg s ASN 239 N 0.99 4.72 -0.06 3.32 0.01 -0.05 -4.54 114.94 119.33 1pyg s ASN 239 Ca -0.07 -0.99 -0.02 0.00 -0.71 0.00 0.00 52.86 51.07 1pyg s ASN 239 Cb -0.15 -0.30 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 1pyg s ASN 239 CO -0.01 -0.72 0.04 -0.89 -1.51 0.00 0.00 177.10 174.01 1pyg s THR 240 N -2.59 4.53 -0.15 1.60 2.01 -1.26 0.90 115.64 120.68 1pyg s THR 240 Ca 0.42 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.16 1pyg s THR 240 Cb -0.00 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.54 1pyg s THR 240 CO 0.24 0.52 -0.18 -0.32 -0.69 0.00 0.00 174.62 174.19 1pyg s MET 241 N -1.18 3.12 -0.18 4.92 1.75 -0.27 -1.32 119.30 126.13 1pyg s MET 241 Ca 0.16 -0.80 0.01 0.00 -1.25 0.00 0.00 55.69 53.82 1pyg s MET 241 Cb -0.12 -2.55 0.03 0.00 2.84 0.00 0.00 34.83 35.03 1pyg s MET 241 CO 0.06 -0.02 -0.15 0.50 -0.65 0.00 0.00 175.02 174.75 1pyg s ARG 242 N 0.88 2.50 -0.07 4.11 6.06 0.21 -1.55 118.95 131.10 1pyg s ARG 242 Ca -0.05 -0.79 0.05 0.00 -2.50 0.00 0.00 55.73 52.45 1pyg s ARG 242 Cb -0.15 -2.41 -0.01 0.00 0.06 0.00 0.00 34.95 32.44 1pyg s ARG 242 CO -0.02 -0.30 -0.24 -0.51 -2.50 0.00 0.00 175.30 171.73 1pyg s LEU 243 N 1.36 2.06 0.08 -0.88 1.43 -0.99 -1.80 118.68 119.94 1pyg s LEU 243 Ca 0.02 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.36 1pyg s LEU 243 Cb -0.14 -1.35 -0.06 0.00 0.03 0.00 0.00 46.19 44.67 1pyg s LEU 243 CO -0.11 0.21 0.77 0.26 0.23 0.00 0.00 176.35 177.72 1pyg s TRP 244 N 0.01 3.79 0.00 0.29 0.52 -1.01 -0.89 118.94 121.65 1pyg s TRP 244 Ca -0.08 1.53 0.05 0.00 0.02 0.00 0.00 56.10 57.62 1pyg s TRP 244 Cb -0.15 -2.81 -0.03 0.00 -1.15 0.00 0.00 33.47 29.33 1pyg s TRP 244 CO 0.05 0.34 -0.15 0.45 0.02 0.00 0.00 176.95 177.66 1pyg s SER 245 N -0.35 3.98 -0.25 2.95 0.15 0.50 -0.78 113.70 119.89 1pyg s SER 245 Ca 0.38 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.60 1pyg s SER 245 Cb -0.21 -0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 63.29 1pyg s SER 245 CO 0.24 0.29 0.25 0.00 1.20 0.00 0.00 173.24 175.22 1pyg s ALA 246 N -0.86 3.57 -0.04 5.45 0.00 -1.25 -0.58 121.76 128.05 1pyg s ALA 246 Ca 0.14 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.26 1pyg s ALA 246 Cb -0.11 -2.50 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 1pyg s ALA 246 CO 0.04 -0.43 -0.21 0.15 0.00 0.00 0.00 175.76 175.32 1pyg s LYS 247 N 1.54 1.99 0.07 0.00 1.02 -0.59 -4.34 119.74 119.44 1pyg s LYS 247 Ca 0.11 -0.74 -0.25 0.00 0.02 0.00 0.00 55.97 55.11 1pyg s LYS 247 Cb -0.15 -1.76 -0.06 0.00 -0.52 0.00 0.00 37.83 35.34 1pyg s LYS 247 CO 0.08 0.34 0.76 0.00 -0.92 0.00 0.00 175.35 175.61 1pyg s ALA 248 N -0.17 3.40 0.20 5.17 0.00 -1.26 -1.86 121.76 127.24 1pyg s ALA 248 Ca -0.01 0.29 -0.09 0.00 0.00 0.00 0.00 51.96 52.15 1pyg s ALA 248 Cb -0.11 -2.97 0.12 0.00 0.00 0.00 0.00 23.12 20.16 1pyg s ALA 248 CO 0.02 0.13 1.73 -1.00 0.00 0.00 0.00 175.76 176.64 1pyg h PRO 249 N 5.31 1.11 -1.29 0.00 0.13 -1.95 -3.48 132.00 131.84 1pyg h PRO 249 Ca -0.45 -0.24 -0.14 0.00 -0.87 0.00 0.00 66.00 64.30 1pyg h PRO 249 Cb 1.21 -0.16 0.03 0.00 0.13 0.00 0.00 31.00 32.21 1pyg h PRO 249 CO 0.69 0.96 -0.17 1.04 -0.23 0.00 0.00 178.00 180.29 1pyg n GLN 264 N -4.28 0.00 -1.98 0.86 6.02 -1.26 -5.02 117.38 111.72 1pyg n GLN 264 Ca 0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.67 1pyg n GLN 264 Cb 0.23 -0.21 0.04 0.00 1.02 0.00 0.00 30.24 31.31 1pyg n GLN 264 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1pyg n ALA 265 N -0.14 6.27 0.01 -1.58 0.00 -1.26 -3.26 120.51 120.55 1pyg n ALA 265 Ca 0.03 -4.12 -0.03 0.00 0.00 0.00 0.00 53.44 49.33 1pyg n ALA 265 Cb 0.07 -1.74 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 1pyg n ALA 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pyg n VAL 266 N -0.55 0.97 0.01 0.00 0.31 -1.26 -3.97 118.33 113.83 1pyg n VAL 266 Ca 0.52 0.23 -0.01 0.00 -0.01 0.00 0.00 64.34 65.07 1pyg n VAL 266 Cb 0.33 -1.67 -0.01 0.00 -0.91 0.00 0.00 33.84 31.58 1pyg n VAL 266 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1pyg h LEU 267 N -0.17 -0.11 0.01 7.52 6.46 -1.99 0.26 115.31 127.29 1pyg h LEU 267 Ca -0.04 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.75 1pyg h LEU 267 Cb 0.46 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.37 1pyg h LEU 267 CO -0.02 -0.04 -0.54 0.44 -0.62 0.00 0.00 178.44 177.66 1pyg h ASP 268 N -0.05 -1.65 -0.94 1.25 5.19 -1.84 0.62 116.42 118.99 1pyg h ASP 268 Ca -0.00 0.18 0.29 0.00 -0.62 0.00 0.00 57.03 56.88 1pyg h ASP 268 Cb 0.05 0.62 -0.16 0.00 0.18 0.00 0.00 39.33 40.03 1pyg h ASP 268 CO -0.02 -0.53 0.32 -0.09 -3.12 0.00 0.00 179.24 175.80 1pyg h ARG 269 N -0.68 0.17 0.01 3.56 2.43 -1.67 0.18 114.38 118.37 1pyg h ARG 269 Ca 0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1pyg h ARG 269 Cb 0.73 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1pyg h ARG 269 CO -0.35 0.11 -0.01 -0.97 -1.51 0.00 0.00 179.97 177.24 1pyg h ASN 270 N 0.17 -0.01 1.14 -3.80 -0.73 0.15 -0.62 115.58 111.88 1pyg h ASN 270 Ca 0.64 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 58.48 1pyg h ASN 270 Cb 1.41 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.00 1pyg h ASN 270 CO -0.71 0.33 0.00 -0.07 -0.37 0.00 0.00 177.43 176.61 1pyg h LEU 271 N -0.35 0.00 0.00 0.34 3.38 0.68 0.27 115.31 119.63 1pyg h LEU 271 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyg h LEU 271 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1pyg h LEU 271 CO 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 178.44 178.53 1pyg h ALA 272 N 2.09 -0.01 0.00 1.53 0.00 -0.44 -2.79 119.26 119.64 1pyg h ALA 272 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1pyg h ALA 272 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pyg h ALA 272 CO 0.00 -0.04 0.16 0.93 0.00 0.00 0.00 179.25 180.30 1pyg h GLU 273 N -0.94 0.00 -0.00 0.00 3.07 -0.63 -2.10 114.58 113.97 1pyg h GLU 273 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pyg h GLU 273 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 1pyg h GLU 273 CO 0.00 0.00 -0.06 -1.71 -1.40 0.00 0.00 179.01 175.84 1pyg n ASN 274 N -2.60 0.11 0.22 1.42 4.05 0.91 -2.51 115.26 116.86 1pyg n ASN 274 Ca -0.02 0.08 0.10 0.00 0.45 0.00 0.00 54.58 55.19 1pyg n ASN 274 Cb 0.20 -0.31 0.44 0.00 1.23 0.00 0.00 39.78 41.34 1pyg n ASN 274 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1pyg h ILE 275 N 0.08 0.52 0.00 -1.44 2.04 -1.45 -3.50 117.51 113.75 1pyg h ILE 275 Ca 0.00 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1pyg h ILE 275 Cb 0.41 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1pyg h ILE 275 CO 0.00 0.21 0.00 -0.24 0.00 0.00 0.00 178.15 178.12 1pyg n SER 276 N -3.36 0.00 -0.14 1.72 2.88 -1.04 -4.95 113.62 108.73 1pyg n SER 276 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1pyg n SER 276 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1pyg n SER 276 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1pyg n LYS 289 N 0.00 0.00 -0.01 -1.46 -0.00 -1.26 -3.82 118.16 111.61 1pyg n LYS 289 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 1pyg n LYS 289 Cb 0.00 0.00 0.42 0.00 -0.00 0.00 0.00 35.03 35.45 1pyg n LYS 289 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1pyg h GLU 290 N 0.00 0.56 0.00 -1.58 4.81 -2.01 -1.91 114.58 114.46 1pyg h GLU 290 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1pyg h GLU 290 Cb 0.00 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.25 1pyg h GLU 290 CO 0.00 0.37 0.00 1.25 -0.73 0.00 0.00 179.01 179.90 1pyg h LEU 291 N 0.58 0.00 0.00 1.64 6.46 -2.00 0.12 115.31 122.11 1pyg h LEU 291 Ca 0.16 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.63 1pyg h LEU 291 Cb -0.07 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 39.82 1pyg h LEU 291 CO -0.03 0.00 -1.62 -0.09 -0.62 0.00 0.00 178.44 176.07 1pyg h ARG 292 N 0.00 0.00 -0.18 1.25 2.43 -1.77 -2.48 114.38 113.64 1pyg h ARG 292 Ca 0.00 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.97 1pyg h ARG 292 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1pyg h ARG 292 CO 0.00 0.57 -0.66 1.25 -1.51 0.00 0.00 179.97 179.61 1pyg h LEU 293 N 0.00 0.78 -0.25 3.80 5.85 -1.39 0.18 115.31 124.28 1pyg h LEU 293 Ca -0.25 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 57.99 1pyg h LEU 293 Cb 1.98 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.77 1pyg h LEU 293 CO 0.09 1.24 0.13 0.11 -0.34 0.00 0.00 178.44 179.66 1pyg h LYS 294 N 0.49 0.35 -0.84 1.25 1.57 -1.10 -1.04 116.57 117.24 1pyg h LYS 294 Ca -0.02 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1pyg h LYS 294 Cb 1.26 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 33.46 1pyg h LYS 294 CO 0.13 0.34 0.49 0.37 -0.57 0.00 0.00 179.45 180.21 1pyg h GLN 295 N 0.28 1.15 -0.04 3.15 4.15 -1.16 -1.14 115.11 121.51 1pyg h GLN 295 Ca 0.09 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 1pyg h GLN 295 Cb 0.09 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.55 1pyg h GLN 295 CO -0.01 0.82 -0.20 0.93 -1.93 0.00 0.00 178.83 178.44 1pyg h GLU 296 N 1.17 0.20 -0.79 1.69 5.08 -0.44 -3.15 114.58 118.34 1pyg h GLU 296 Ca 0.30 -0.17 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 1pyg h GLU 296 Cb -0.02 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1pyg h GLU 296 CO -0.05 0.82 0.51 -0.92 -1.00 0.00 0.00 179.01 178.37 1pyg h TYR 297 N -0.37 0.82 0.15 4.33 3.20 -1.09 -2.60 116.97 121.42 1pyg h TYR 297 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1pyg h TYR 297 Cb 0.86 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 1pyg h TYR 297 CO 0.14 0.41 -0.35 0.35 -1.64 0.00 0.00 178.16 177.07 1pyg h PHE 298 N 0.79 -1.00 0.00 -3.82 3.57 -1.20 -0.91 116.94 114.37 1pyg h PHE 298 Ca 0.35 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 1pyg h PHE 298 Cb 0.34 0.42 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 1pyg h PHE 298 CO -0.00 -0.41 -0.06 -0.24 -2.23 0.00 0.00 178.31 175.37 1pyg h VAL 299 N -0.55 0.23 0.14 1.41 3.04 -1.47 -2.55 116.25 116.49 1pyg h VAL 299 Ca -0.02 -0.43 -0.01 0.00 -1.01 0.00 0.00 66.70 65.24 1pyg h VAL 299 Cb 0.53 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1pyg h VAL 299 CO -0.15 0.06 -0.07 0.58 -1.01 0.00 0.00 177.57 176.98 1pyg h VAL 300 N 0.00 0.98 -0.13 1.51 2.07 -1.19 -3.12 116.25 116.37 1pyg h VAL 300 Ca -0.00 -1.14 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1pyg h VAL 300 Cb 0.34 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1pyg h VAL 300 CO 0.01 0.24 0.08 0.00 0.02 0.00 0.00 177.57 177.92 1pyg h ALA 301 N -0.13 0.17 -0.11 1.67 0.00 -0.94 -1.93 119.26 117.99 1pyg h ALA 301 Ca -0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pyg h ALA 301 Cb 0.54 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pyg h ALA 301 CO 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 179.25 179.02 1pyg h ALA 302 N 1.00 0.14 -0.80 0.00 0.00 -1.63 -2.31 119.26 115.67 1pyg h ALA 302 Ca 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1pyg h ALA 302 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1pyg h ALA 302 CO -0.01 -0.31 0.45 1.15 0.00 0.00 0.00 179.25 180.53 1pyg h THR 303 N 0.07 1.23 -0.00 0.00 2.02 -1.45 -2.60 112.91 112.19 1pyg h THR 303 Ca 0.04 -0.56 -0.14 0.00 0.77 0.00 0.00 66.41 66.51 1pyg h THR 303 Cb 0.09 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1pyg h THR 303 CO -0.01 0.25 -0.68 -0.07 0.37 0.00 0.00 175.52 175.39 1pyg h LEU 304 N 1.10 0.02 -0.65 2.58 3.38 -1.25 -1.47 115.31 119.02 1pyg h LEU 304 Ca 0.28 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.32 1pyg h LEU 304 Cb 0.01 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1pyg h LEU 304 CO -0.05 0.69 0.32 1.56 0.09 0.00 0.00 178.44 181.05 1pyg h GLN 305 N 0.01 0.56 -0.68 1.13 4.20 -1.02 -0.75 115.11 118.56 1pyg h GLN 305 Ca -0.01 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.59 1pyg h GLN 305 Cb 1.20 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 1pyg h GLN 305 CO 0.09 0.37 0.13 -0.44 -0.67 0.00 0.00 178.83 178.31 1pyg h ASP 306 N 0.57 1.06 0.25 1.46 3.32 -1.29 -1.11 116.42 120.68 1pyg h ASP 306 Ca 0.31 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1pyg h ASP 306 Cb 0.29 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1pyg h ASP 306 CO -0.24 1.04 -0.12 0.40 -1.72 0.00 0.00 179.24 178.60 1pyg h ILE 307 N 1.03 0.79 -0.49 0.35 2.04 -0.14 -0.47 117.51 120.62 1pyg h ILE 307 Ca 0.21 -0.21 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1pyg h ILE 307 Cb 0.42 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1pyg h ILE 307 CO 0.01 0.05 -0.06 0.40 0.00 0.00 0.00 178.15 178.55 1pyg h ILE 308 N -0.44 1.26 0.02 -0.67 1.08 -1.20 -2.46 117.51 115.10 1pyg h ILE 308 Ca -0.03 -1.14 0.02 0.00 -0.39 0.00 0.00 64.86 63.31 1pyg h ILE 308 Cb 0.33 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.98 1pyg h ILE 308 CO 0.06 0.40 -0.46 -0.09 -0.69 0.00 0.00 178.15 177.37 1pyg h ARG 309 N 0.79 -0.57 0.00 2.37 1.12 -0.92 -2.27 114.38 114.90 1pyg h ARG 309 Ca 0.14 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 59.05 1pyg h ARG 309 Cb 0.56 0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.65 1pyg h ARG 309 CO 0.03 -0.38 0.00 -2.13 -3.11 0.00 0.00 179.97 174.38 1pyg n ARG 310 N -5.02 0.01 -0.04 0.20 0.63 -0.21 -0.83 116.66 111.41 1pyg n ARG 310 Ca -0.07 0.28 -0.19 0.00 -0.92 0.00 0.00 57.85 56.96 1pyg n ARG 310 Cb 0.34 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.62 1pyg n ARG 310 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1pyg h PHE 311 N 0.00 0.21 -0.08 -0.14 3.57 -0.97 -3.36 116.94 116.17 1pyg h PHE 311 Ca 0.00 -0.15 -0.07 0.00 3.53 0.00 0.00 57.97 61.28 1pyg h PHE 311 Cb 0.20 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1pyg h PHE 311 CO 0.00 1.32 -0.22 0.87 -2.23 0.00 0.00 178.31 178.05 1pyg h LYS 312 N -0.71 0.29 -2.75 1.11 1.57 -0.79 -3.28 116.57 112.00 1pyg h LYS 312 Ca -0.19 -0.20 -0.66 0.00 -1.87 0.00 0.00 60.65 57.72 1pyg h LYS 312 Cb 1.38 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.68 1pyg h LYS 312 CO -0.01 0.82 2.92 0.43 -0.57 0.00 0.00 179.45 183.04 1pyg n SER 313 N -4.52 8.21 0.04 0.86 7.64 -0.01 -0.84 113.62 125.00 1pyg n SER 313 Ca -0.08 -2.81 -0.19 0.00 1.01 0.00 0.00 58.87 56.80 1pyg n SER 313 Cb 0.43 -1.46 -0.10 0.00 -1.01 0.00 0.00 64.21 62.08 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 4.64 0.89 -3.45 6.43 4.64 -1.70 -3.45 113.55 121.55 1pyg h SER 314 Ca 0.75 -0.70 -0.52 0.00 -0.47 0.00 0.00 61.79 60.85 1pyg h SER 314 Cb 0.38 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1pyg h SER 314 CO 1.54 1.50 0.52 -0.75 -0.87 0.00 0.00 176.83 178.77 1pyg s LYS 315 N -3.35 4.52 0.17 4.77 2.20 -1.26 -4.85 119.74 121.95 1pyg s LYS 315 Ca -0.09 1.77 -0.32 0.00 -0.36 0.00 0.00 55.97 56.97 1pyg s LYS 315 Cb 0.07 -3.28 -0.12 0.00 -1.51 0.00 0.00 37.83 32.99 1pyg s LYS 315 CO 0.92 -0.05 1.74 0.34 -0.36 0.00 0.00 175.35 177.93 1pyg n PHE 316 N 2.79 2.64 0.00 4.03 7.35 -1.26 -0.92 117.46 132.09 1pyg n PHE 316 Ca 0.05 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.75 1pyg n PHE 316 Cb 0.46 -2.67 0.00 0.00 0.35 0.00 0.00 39.48 37.62 1pyg n PHE 316 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1pyg n GLY 317 N 3.97 2.64 3.54 7.13 0.00 -1.26 -4.99 105.19 116.22 1pyg n GLY 317 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 5.03 0.04 -2.60 0.00 3.00 -1.26 -4.22 116.66 116.65 1pyg n ARG 319 Ca -0.14 0.01 -0.35 0.00 -0.01 0.00 0.00 57.85 57.35 1pyg n ARG 319 Cb 0.51 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.43 1pyg n ARG 319 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1pyg s ASP 320 N -2.96 6.72 -0.32 0.55 1.01 -1.26 -4.77 116.67 115.65 1pyg s ASP 320 Ca 0.15 1.94 -0.30 0.00 0.71 0.00 0.00 52.55 55.05 1pyg s ASP 320 Cb 0.19 -2.57 -0.08 0.00 1.01 0.00 0.00 42.92 41.47 1pyg s ASP 320 CO 0.52 -0.51 2.25 -0.81 0.21 0.00 0.00 175.17 176.83 1pyg n PRO 321 N -0.34 1.50 -0.11 8.23 -0.04 -1.26 -4.34 135.00 138.65 1pyg n PRO 321 Ca 0.06 0.37 -0.23 0.00 -0.04 0.00 0.00 63.50 63.66 1pyg n PRO 321 Cb 0.51 -2.97 -0.11 0.00 -0.04 0.00 0.00 33.50 30.89 1pyg n PRO 321 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pyg n VAL 322 N 7.61 1.54 -3.34 0.52 0.31 -0.02 -4.88 118.33 120.08 1pyg n VAL 322 Ca 0.36 -0.07 -0.42 0.00 -0.01 0.00 0.00 64.34 64.20 1pyg n VAL 322 Cb 0.38 -2.02 -0.09 0.00 -0.91 0.00 0.00 33.84 31.20 1pyg n VAL 322 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1pyg s ARG 323 N -2.38 3.28 0.00 5.55 3.52 -0.63 -4.87 118.95 123.42 1pyg s ARG 323 Ca -0.30 -0.60 0.04 0.00 -0.13 0.00 0.00 55.73 54.74 1pyg s ARG 323 Cb 0.07 -3.91 0.02 0.00 -1.56 0.00 0.00 34.95 29.57 1pyg s ARG 323 CO 0.59 -0.74 0.56 2.41 -0.81 0.00 0.00 175.30 177.31 1pyg n THR 324 N 5.38 0.00 -3.60 4.11 -1.04 -1.26 -4.15 114.28 113.72 1pyg n THR 324 Ca -0.08 -0.48 -0.40 0.00 -2.04 0.00 0.00 64.05 61.05 1pyg n THR 324 Cb 0.48 1.08 -0.11 0.00 -1.82 0.00 0.00 70.33 69.96 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 -0.54 5.71 0.00 8.00 2.47 -1.26 -4.93 114.94 124.39 1pyg s ASN 325 Ca 0.05 -1.12 0.12 0.00 0.42 0.00 0.00 52.86 52.32 1pyg s ASN 325 Cb 0.04 -2.01 0.73 0.00 -1.45 0.00 0.00 41.25 38.55 1pyg s ASN 325 CO 0.07 -0.43 1.16 0.49 -3.72 0.00 0.00 177.10 174.68 1pyg n PHE 326 N 4.98 0.00 0.25 0.43 3.72 -1.26 -3.25 117.46 122.33 1pyg n PHE 326 Ca -0.11 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.38 1pyg n PHE 326 Cb 0.45 0.00 0.66 0.00 -0.94 0.00 0.00 39.48 39.65 1pyg n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1pyg h ASP 327 N 0.00 0.00 0.19 4.37 5.19 -2.01 -2.58 116.42 121.58 1pyg h ASP 327 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1pyg h ASP 327 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1pyg h ASP 327 CO 0.00 0.12 -0.15 0.00 -3.12 0.00 0.00 179.24 176.09 1pyg n ALA 328 N -2.39 2.87 0.00 3.45 0.00 -1.20 -4.50 120.51 118.74 1pyg n ALA 328 Ca -0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 52.94 1pyg n ALA 328 Cb 0.21 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.42 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 1.32 -0.08 0.00 0.00 3.57 -1.70 -1.62 116.94 118.43 1pyg h PHE 329 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1pyg h PHE 329 Cb 0.46 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1pyg h PHE 329 CO 0.00 -0.06 0.00 -0.35 -2.23 0.00 0.00 178.31 175.67 1pyg n PRO 330 N -5.15 0.18 0.02 6.41 -0.04 -1.26 -0.43 135.00 134.72 1pyg n PRO 330 Ca -0.05 0.47 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1pyg n PRO 330 Cb 0.09 -1.88 0.02 0.00 -0.04 0.00 0.00 33.50 31.69 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 -2.23 0.63 -0.00 3.54 8.00 -0.76 -4.30 116.55 121.44 1pyg n ASP 331 Ca 0.01 -0.32 0.08 0.00 0.71 0.00 0.00 54.79 55.27 1pyg n ASP 331 Cb 0.19 0.80 -0.10 0.00 -0.02 0.00 0.00 41.12 41.98 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 -1.85 1.27 -4.29 -1.24 4.76 0.43 -4.33 118.16 112.90 1pyg n LYS 332 Ca 0.02 -0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.22 1pyg n LYS 332 Cb 0.41 -1.29 -0.15 0.00 -1.84 0.00 0.00 35.03 32.17 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 -2.74 0.60 0.03 -0.18 1.01 -0.40 -1.34 120.40 117.37 1pyg s VAL 333 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1pyg s VAL 333 Cb 0.11 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 1pyg s VAL 333 CO 0.64 0.17 -0.17 0.00 0.00 0.00 0.00 175.10 175.73 1pyg s ALA 334 N -0.18 1.43 -0.07 5.51 0.00 0.03 -4.60 121.76 123.89 1pyg s ALA 334 Ca 0.03 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.12 1pyg s ALA 334 Cb -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1pyg s ALA 334 CO -0.00 0.32 -0.07 0.42 0.00 0.00 0.00 175.76 176.43 1pyg s ILE 335 N -0.69 0.79 -0.36 0.00 1.01 -0.72 -1.04 121.20 120.19 1pyg s ILE 335 Ca 0.05 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.39 1pyg s ILE 335 Cb -0.08 -0.79 0.03 0.00 0.01 0.00 0.00 42.46 41.63 1pyg s ILE 335 CO 0.01 0.30 0.16 -1.58 0.00 0.00 0.00 174.94 173.82 1pyg s GLN 336 N 1.15 2.74 -0.79 2.79 2.00 0.17 -2.08 119.66 125.64 1pyg s GLN 336 Ca -0.07 -1.12 -0.24 0.00 -2.00 0.00 0.00 55.36 51.94 1pyg s GLN 336 Cb -0.14 -3.60 0.06 0.00 0.80 0.00 0.00 33.01 30.12 1pyg s GLN 336 CO -0.01 -0.68 1.19 -0.51 -0.50 0.00 0.00 175.29 174.78 1pyg s LEU 337 N 1.49 3.85 -0.55 3.68 1.43 -0.24 -2.09 118.68 126.26 1pyg s LEU 337 Ca 0.00 -1.00 -0.26 0.00 -1.03 0.00 0.00 54.13 51.84 1pyg s LEU 337 Cb -0.19 -2.50 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1pyg s LEU 337 CO 0.05 -1.56 1.05 0.21 0.23 0.00 0.00 176.35 176.34 1pyg s ASN 338 N 3.93 6.42 0.44 2.29 2.47 -1.08 -1.52 114.94 127.89 1pyg s ASN 338 Ca 0.32 -0.05 0.00 0.00 0.42 0.00 0.00 52.86 53.56 1pyg s ASN 338 Cb -0.09 -2.49 0.00 0.00 -1.45 0.00 0.00 41.25 37.22 1pyg s ASN 338 CO 0.06 -1.31 0.00 -0.67 -3.72 0.00 0.00 177.10 171.46 1pyg n ASP 339 N 7.84 -3.34 -0.24 -4.21 -0.08 -0.62 -3.95 116.55 111.95 1pyg n ASP 339 Ca 0.06 0.17 0.10 0.00 -1.51 0.00 0.00 54.79 53.61 1pyg n ASP 339 Cb 0.48 -0.48 0.49 0.00 2.34 0.00 0.00 41.12 43.95 1pyg n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1pyg n THR 340 N -1.37 0.08 0.10 5.18 -2.24 -1.26 -4.24 114.28 110.53 1pyg n THR 340 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1pyg n THR 340 Cb 0.07 -0.01 0.31 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.96 0.28 -0.57 4.78 3.86 -1.95 -1.85 115.15 120.65 1pyg h HIS 341 Ca 0.00 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1pyg h HIS 341 Cb 0.21 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.61 1pyg h HIS 341 CO 0.04 0.49 0.00 -2.30 0.86 0.00 0.00 177.93 177.02 1pyg n PRO 342 N -4.16 4.32 0.05 2.45 -0.02 -1.26 -4.70 135.00 131.67 1pyg n PRO 342 Ca -0.01 -2.90 0.21 0.00 -2.02 0.00 0.00 63.50 58.78 1pyg n PRO 342 Cb 0.36 -2.10 0.63 0.00 -0.02 0.00 0.00 33.50 32.36 1pyg n PRO 342 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1pyg h SER 343 N 3.85 0.00 0.09 2.55 4.64 -1.58 0.22 113.55 123.31 1pyg h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pyg h SER 343 Cb 1.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.82 1pyg h SER 343 CO 0.38 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.52 1pyg n LEU 344 N -3.40 0.00 0.13 5.97 4.77 -1.26 -1.80 117.00 121.40 1pyg n LEU 344 Ca 0.10 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1pyg n LEU 344 Cb 0.87 -0.13 0.26 0.00 -2.33 0.00 0.00 43.42 42.09 1pyg n LEU 344 CO 0.23 -0.09 0.66 0.00 -1.33 0.00 0.00 177.39 176.87 1pyg h ALA 345 N 2.61 1.19 0.40 -1.18 0.00 -0.93 -0.83 119.26 120.52 1pyg h ALA 345 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 1pyg h ALA 345 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1pyg h ALA 345 CO 0.00 0.56 -0.19 0.82 0.00 0.00 0.00 179.25 180.44 1pyg h ILE 346 N 0.12 0.27 -0.10 0.00 2.04 -1.59 -1.07 117.51 117.18 1pyg h ILE 346 Ca 0.01 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1pyg h ILE 346 Cb 0.78 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1pyg h ILE 346 CO 0.06 0.06 0.06 -0.65 0.00 0.00 0.00 178.15 177.68 1pyg h PRO 347 N -1.05 0.13 -0.11 2.37 0.11 -1.73 -2.98 132.00 128.73 1pyg h PRO 347 Ca -0.06 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1pyg h PRO 347 Cb 0.51 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.59 1pyg h PRO 347 CO 0.09 0.09 -0.30 1.49 -0.21 0.00 0.00 178.00 179.15 1pyg h GLU 348 N 0.13 0.41 -0.13 1.05 4.57 -1.15 -2.52 114.58 116.94 1pyg h GLU 348 Ca 0.04 -0.29 0.03 0.00 -1.18 0.00 0.00 59.36 57.96 1pyg h GLU 348 Cb -0.01 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1pyg h GLU 348 CO -0.01 0.90 -0.03 1.25 -1.18 0.00 0.00 179.01 179.95 1pyg h LEU 349 N -0.02 -0.11 -0.54 1.64 5.85 -1.13 -0.10 115.31 120.91 1pyg h LEU 349 Ca -0.01 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.86 1pyg h LEU 349 Cb 0.92 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.92 1pyg h LEU 349 CO 0.07 -0.04 -0.17 0.24 -0.34 0.00 0.00 178.44 178.20 1pyg h MET 350 N 0.01 -0.04 -0.12 1.25 2.86 -1.62 0.62 114.93 117.89 1pyg h MET 350 Ca 0.06 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1pyg h MET 350 Cb 0.09 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1pyg h MET 350 CO -0.13 -0.03 -0.08 -0.09 1.06 0.00 0.00 176.91 177.64 1pyg h ARG 351 N -0.04 -0.08 -0.46 1.72 2.43 -0.89 0.37 114.38 117.42 1pyg h ARG 351 Ca 0.26 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1pyg h ARG 351 Cb 0.44 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 1pyg h ARG 351 CO -0.58 -0.06 0.27 0.28 -1.51 0.00 0.00 179.97 178.38 1pyg h VAL 352 N -0.09 1.15 0.09 0.20 2.07 -0.49 0.33 116.25 119.52 1pyg h VAL 352 Ca 0.07 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 67.03 1pyg h VAL 352 Cb 0.19 0.56 0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1pyg h VAL 352 CO -0.17 0.16 -0.81 -0.07 0.02 0.00 0.00 177.57 176.70 1pyg h LEU 353 N 0.61 0.55 0.00 2.57 3.38 -0.56 0.77 115.31 122.64 1pyg h LEU 353 Ca 0.16 -0.87 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 1pyg h LEU 353 Cb 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1pyg h LEU 353 CO -0.03 1.37 -0.00 0.58 0.09 0.00 0.00 178.44 180.45 1pyg h VAL 354 N -0.18 1.51 0.00 1.22 2.07 -0.32 0.54 116.25 121.10 1pyg h VAL 354 Ca -0.13 -1.54 -0.07 0.00 0.82 0.00 0.00 66.70 65.79 1pyg h VAL 354 Cb 1.57 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 1pyg h VAL 354 CO 0.15 0.40 -0.41 0.44 0.02 0.00 0.00 177.57 178.17 1pyg h ASP 355 N -0.66 0.00 0.04 0.57 3.32 -1.08 -3.18 116.42 115.43 1pyg h ASP 355 Ca -0.00 -0.61 -0.00 0.00 0.02 0.00 0.00 57.03 56.44 1pyg h ASP 355 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1pyg h ASP 355 CO 0.00 1.04 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.47 1pyg h LEU 356 N -1.00 -0.05 0.00 1.55 3.38 -0.98 -3.34 115.31 114.87 1pyg h LEU 356 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1pyg h LEU 356 Cb 0.88 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1pyg h LEU 356 CO -0.06 0.31 0.00 -0.62 0.09 0.00 0.00 178.44 178.16 1pyg n GLU 357 N -4.07 0.28 -3.62 1.13 -0.58 0.13 -4.93 120.64 108.98 1pyg n GLU 357 Ca -0.01 0.10 -0.20 0.00 -0.42 0.00 0.00 57.16 56.63 1pyg n GLU 357 Cb 0.02 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.44 1pyg n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1pyg n ARG 358 N -1.27 -5.06 -2.62 3.49 5.12 -0.11 -4.93 116.66 111.28 1pyg n ARG 358 Ca 0.09 0.68 -0.23 0.00 -1.93 0.00 0.00 57.85 56.45 1pyg n ARG 358 Cb 0.14 -5.32 0.03 0.00 -1.16 0.00 0.00 32.46 26.15 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 -6.54 3.30 0.18 0.55 1.43 0.17 -4.95 118.68 112.82 1pyg s LEU 359 Ca 0.03 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.28 1pyg s LEU 359 Cb -0.01 -3.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.03 1pyg s LEU 359 CO 0.79 -1.07 0.58 1.51 0.23 0.00 0.00 176.35 178.39 1pyg s ASP 360 N -4.36 6.81 0.15 2.29 -4.77 -1.26 -4.44 116.67 111.08 1pyg s ASP 360 Ca 0.55 1.10 -0.18 0.00 -3.30 0.00 0.00 52.55 50.72 1pyg s ASP 360 Cb -0.10 -2.30 0.07 0.00 -1.09 0.00 0.00 42.92 39.50 1pyg s ASP 360 CO 0.40 0.04 1.14 1.87 0.70 0.00 0.00 175.17 179.33 1pyg n TRP 361 N 0.54 -0.15 -0.11 2.11 -0.00 -1.26 -1.37 117.44 117.21 1pyg n TRP 361 Ca -0.03 0.92 0.12 0.00 -0.00 0.00 0.00 57.50 58.50 1pyg n TRP 361 Cb 0.52 -0.67 0.48 0.00 -0.00 0.00 0.00 31.31 31.64 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 0.41 0.56 5.87 3.32 -2.00 0.15 116.42 124.73 1pyg h ASP 362 Ca 0.19 0.01 -0.29 0.00 0.02 0.00 0.00 57.03 56.96 1pyg h ASP 362 Cb 0.38 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1pyg h ASP 362 CO -0.72 0.25 -1.43 0.50 -1.72 0.00 0.00 179.24 176.12 1pyg h LYS 363 N 0.46 0.19 -0.08 3.56 1.63 -1.61 -2.78 116.57 117.93 1pyg h LYS 363 Ca 0.29 -0.32 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 1pyg h LYS 363 Cb 0.55 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1pyg h LYS 363 CO -0.09 1.05 -0.31 0.00 -3.45 0.00 0.00 179.45 176.66 1pyg h ALA 364 N 0.63 1.34 0.02 5.00 0.00 0.07 -0.71 119.26 125.61 1pyg h ALA 364 Ca -0.20 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1pyg h ALA 364 Cb 1.97 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1pyg h ALA 364 CO 0.15 0.47 -0.01 2.35 0.00 0.00 0.00 179.25 182.21 1pyg h TRP 365 N 0.14 -0.02 -0.68 0.00 -0.00 -0.80 -2.05 115.95 112.52 1pyg h TRP 365 Ca 0.02 -0.00 0.15 0.00 -0.00 0.00 0.00 58.89 59.06 1pyg h TRP 365 Cb 0.62 0.01 -0.12 0.00 -0.00 0.00 0.00 29.16 29.66 1pyg h TRP 365 CO 0.01 0.47 -0.03 1.49 -0.00 0.00 0.00 178.44 180.38 1pyg h GLU 366 N -0.54 0.09 0.17 2.65 4.22 -1.26 -0.29 114.58 119.62 1pyg h GLU 366 Ca -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.42 1pyg h GLU 366 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1pyg h GLU 366 CO 0.00 0.06 -0.08 0.28 -2.18 0.00 0.00 179.01 177.09 1pyg h VAL 367 N 0.09 0.94 -0.04 0.32 2.07 -1.14 -3.10 116.25 115.40 1pyg h VAL 367 Ca 0.36 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1pyg h VAL 367 Cb 0.60 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 1pyg h VAL 367 CO -0.62 0.15 -0.36 0.74 0.02 0.00 0.00 177.57 177.50 1pyg h THR 368 N -0.56 0.23 -0.89 2.57 2.02 -0.35 -2.23 112.91 113.71 1pyg h THR 368 Ca -0.02 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1pyg h THR 368 Cb 0.42 0.23 -0.06 0.00 -1.74 0.00 0.00 68.15 67.00 1pyg h THR 368 CO 0.04 0.00 0.56 0.58 0.37 0.00 0.00 175.52 177.07 1pyg h VAL 369 N -0.50 1.06 0.00 3.16 2.07 -1.28 0.11 116.25 120.87 1pyg h VAL 369 Ca 0.06 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1pyg h VAL 369 Cb 0.60 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1pyg h VAL 369 CO -0.31 0.19 -0.08 0.11 0.02 0.00 0.00 177.57 177.50 1pyg h LYS 370 N 1.02 0.00 0.09 1.57 1.57 -1.36 -1.71 116.57 117.74 1pyg h LYS 370 Ca 0.39 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.84 1pyg h LYS 370 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1pyg h LYS 370 CO -0.17 0.08 -1.76 2.41 -0.57 0.00 0.00 179.45 179.43 1pyg n THR 371 N -3.37 1.71 -3.28 -0.16 -1.04 0.24 -4.90 114.28 103.48 1pyg n THR 371 Ca -0.01 -0.45 -0.27 0.00 -2.04 0.00 0.00 64.05 61.27 1pyg n THR 371 Cb 0.24 -1.84 -0.02 0.00 -1.82 0.00 0.00 70.33 66.88 1pyg n THR 371 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pyg s ALA 373 N -2.19 -0.35 -0.12 0.00 0.00 -0.88 -1.64 121.76 116.58 1pyg s ALA 373 Ca 0.43 0.41 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 1pyg s ALA 373 Cb -0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1pyg s ALA 373 CO 0.32 -0.07 0.12 -0.47 0.00 0.00 0.00 175.76 175.67 1pyg s TYR 374 N 0.10 3.54 -0.25 0.00 5.04 -0.61 -1.07 117.35 124.09 1pyg s TYR 374 Ca -0.00 0.48 -0.02 0.00 -2.44 0.00 0.00 57.07 55.09 1pyg s TYR 374 Cb -0.01 -1.94 0.03 0.00 0.35 0.00 0.00 41.96 40.39 1pyg s TYR 374 CO 0.00 0.68 -0.05 0.99 -1.34 0.00 0.00 175.55 175.83 1pyg s THR 375 N -0.93 2.95 -0.24 4.34 2.01 -0.58 -2.28 115.64 120.92 1pyg s THR 375 Ca 0.14 -1.02 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 1pyg s THR 375 Cb -0.12 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1pyg s THR 375 CO 0.03 0.18 0.61 0.21 -0.69 0.00 0.00 174.62 174.96 1pyg s ASN 376 N 1.33 6.58 -0.00 3.53 3.84 -0.50 -1.59 114.94 128.14 1pyg s ASN 376 Ca 0.00 0.71 0.19 0.00 0.21 0.00 0.00 52.86 53.97 1pyg s ASN 376 Cb -0.17 -2.33 -0.21 0.00 -0.55 0.00 0.00 41.25 37.99 1pyg s ASN 376 CO -0.04 -0.32 0.80 1.41 -2.79 0.00 0.00 177.10 176.16 1pyg n HIS 377 N 5.47 0.00 -0.38 0.43 8.25 -1.26 -4.13 115.22 123.60 1pyg n HIS 377 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1pyg n HIS 377 Cb 0.49 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.49 0.00 0.00 1.59 5.66 -1.26 -4.80 114.28 113.98 1pyg n THR 378 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1pyg n THR 378 Cb 0.31 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.57 1pyg n THR 378 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1pyg n VAL 379 N -1.23 0.00 -2.96 1.08 3.14 -1.26 -4.68 118.33 112.42 1pyg n VAL 379 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 1pyg n VAL 379 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 1pyg n VAL 379 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1pyg s LEU 380 N -1.55 4.43 0.00 6.55 1.43 -1.26 -4.96 118.68 123.32 1pyg s LEU 380 Ca 0.00 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1pyg s LEU 380 Cb 0.00 -3.25 0.01 0.00 0.03 0.00 0.00 46.19 42.98 1pyg s LEU 380 CO 0.00 -0.02 0.56 -2.65 0.23 0.00 0.00 176.35 174.47 1pyg n PRO 381 N 2.96 0.01 -3.06 1.29 -0.02 -1.26 -3.71 135.00 131.21 1pyg n PRO 381 Ca -0.02 0.05 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 1pyg n PRO 381 Cb 0.50 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 1pyg n PRO 381 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1pyg n GLU 382 N -1.05 0.80 0.00 -0.52 0.00 -1.26 -4.51 120.64 114.10 1pyg n GLU 382 Ca 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 57.16 54.32 1pyg n GLU 382 Cb 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1pyg n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1pyg n ALA 383 N 1.17 0.00 -1.81 -1.84 0.00 -1.24 -5.14 120.51 111.65 1pyg n ALA 383 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 1pyg n ALA 383 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 1pyg n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1pyg s LEU 384 N 0.00 3.94 0.11 0.00 1.43 -1.26 -5.02 118.68 117.87 1pyg s LEU 384 Ca 0.00 1.79 -0.23 0.00 -1.03 0.00 0.00 54.13 54.65 1pyg s LEU 384 Cb 0.00 -4.51 -0.07 0.00 0.03 0.00 0.00 46.19 41.64 1pyg s LEU 384 CO 0.00 -0.49 0.71 -1.61 0.23 0.00 0.00 176.35 175.19 1pyg s GLU 385 N -3.12 4.45 -0.02 1.70 2.02 -1.26 -5.01 118.70 117.46 1pyg s GLU 385 Ca 0.63 1.01 0.00 0.00 0.02 0.00 0.00 54.97 56.63 1pyg s GLU 385 Cb -0.12 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 30.85 1pyg s GLU 385 CO 0.16 0.52 0.02 1.03 0.02 0.00 0.00 175.26 177.01 1pyg s ARG 386 N -0.86 0.02 -0.11 1.61 0.52 -1.26 -1.08 118.95 117.80 1pyg s ARG 386 Ca 0.34 0.14 0.03 0.00 -0.52 0.00 0.00 55.73 55.73 1pyg s ARG 386 Cb -0.21 -0.25 0.00 0.00 0.52 0.00 0.00 34.95 35.01 1pyg s ARG 386 CO 0.23 -0.14 -0.22 -1.58 0.02 0.00 0.00 175.30 173.61 1pyg s TRP 387 N 0.91 2.51 -0.01 -0.53 0.52 -0.81 -4.91 118.94 116.63 1pyg s TRP 387 Ca -0.08 -1.11 -0.39 0.00 0.02 0.00 0.00 56.10 54.54 1pyg s TRP 387 Cb -0.11 -1.70 -0.18 0.00 -1.15 0.00 0.00 33.47 30.33 1pyg s TRP 387 CO -0.02 -0.47 1.26 -0.35 0.02 0.00 0.00 176.95 177.38 1pyg n PRO 388 N 3.73 0.57 0.01 4.98 -0.04 -1.26 -0.44 135.00 142.55 1pyg n PRO 388 Ca -0.19 0.21 0.09 0.00 -0.04 0.00 0.00 63.50 63.56 1pyg n PRO 388 Cb 0.52 -1.78 0.39 0.00 -0.04 0.00 0.00 33.50 32.59 1pyg n PRO 388 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1pyg n VAL 389 N 2.26 0.78 -0.07 0.52 0.24 -0.51 -1.43 118.33 120.12 1pyg n VAL 389 Ca 0.20 0.19 -0.14 0.00 -2.04 0.00 0.00 64.34 62.55 1pyg n VAL 389 Cb 0.12 -0.91 -0.05 0.00 -1.47 0.00 0.00 33.84 31.53 1pyg n VAL 389 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 1pyg h HIS 390 N 0.00 0.91 -0.65 6.34 2.07 -1.89 -1.02 115.15 120.91 1pyg h HIS 390 Ca 0.00 -0.32 -0.06 0.00 -2.85 0.00 0.00 60.37 57.14 1pyg h HIS 390 Cb 0.32 -0.17 -0.03 0.00 2.57 0.00 0.00 27.41 30.10 1pyg h HIS 390 CO 0.00 1.10 0.16 1.25 -3.07 0.00 0.00 177.93 177.37 1pyg h LEU 391 N 0.46 0.97 -0.27 6.12 5.85 -1.61 -1.93 115.31 124.91 1pyg h LEU 391 Ca 0.02 -0.23 -0.21 0.00 0.84 0.00 0.00 57.88 58.30 1pyg h LEU 391 Cb 1.03 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1pyg h LEU 391 CO 0.10 0.95 -0.80 -0.07 -0.34 0.00 0.00 178.44 178.28 1pyg h LEU 392 N 0.95 0.66 -1.41 2.25 3.38 -1.48 0.39 115.31 120.06 1pyg h LEU 392 Ca 0.20 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1pyg h LEU 392 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1pyg h LEU 392 CO 0.00 1.23 -0.27 1.05 0.09 0.00 0.00 178.44 180.54 1pyg h GLU 393 N 0.36 0.00 0.06 1.13 4.11 -0.86 0.11 114.58 119.49 1pyg h GLU 393 Ca -0.05 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.24 1pyg h GLU 393 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1pyg h GLU 393 CO 0.15 0.27 -0.66 1.15 0.07 0.00 0.00 179.01 179.99 1pyg h THR 394 N 0.00 1.46 0.07 -1.06 2.02 -1.27 -3.23 112.91 110.90 1pyg h THR 394 Ca -0.00 -2.39 -0.28 0.00 0.77 0.00 0.00 66.41 64.51 1pyg h THR 394 Cb 0.60 3.06 -0.02 0.00 -1.74 0.00 0.00 68.15 70.05 1pyg h THR 394 CO 0.03 0.61 -1.39 0.25 0.37 0.00 0.00 175.52 175.40 1pyg h LEU 395 N -0.70 0.24 -5.86 2.58 5.85 -0.70 -3.40 115.31 113.32 1pyg h LEU 395 Ca -0.14 -0.31 -0.51 0.00 0.84 0.00 0.00 57.88 57.75 1pyg h LEU 395 Cb 1.36 -0.08 -0.40 0.00 0.37 0.00 0.00 40.66 41.91 1pyg h LEU 395 CO 0.02 1.26 -1.07 0.18 -0.34 0.00 0.00 178.44 178.50 1pyg n LEU 396 N -3.38 1.57 -0.11 2.25 4.77 0.36 -0.72 117.00 121.76 1pyg n LEU 396 Ca -0.11 -5.13 0.25 0.00 -0.03 0.00 0.00 56.01 50.99 1pyg n LEU 396 Cb 1.02 0.42 0.70 0.00 -2.33 0.00 0.00 43.42 43.23 1pyg n LEU 396 CO 0.49 2.28 1.23 1.55 -1.33 0.00 0.00 177.39 181.61 1pyg h PRO 397 N 3.12 0.02 0.21 3.23 0.13 -1.56 -0.20 132.00 136.94 1pyg h PRO 397 Ca 0.11 -0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.91 1pyg h PRO 397 Cb 0.86 -0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.01 1pyg h PRO 397 CO 0.57 0.01 -1.45 -0.09 -0.23 0.00 0.00 178.00 176.81 1pyg h ARG 398 N 0.02 0.44 -0.48 0.86 1.12 -1.90 -2.86 114.38 111.59 1pyg h ARG 398 Ca 0.36 -0.76 -0.12 0.00 -1.11 0.00 0.00 59.98 58.35 1pyg h ARG 398 Cb 1.40 0.28 -0.02 0.00 -0.01 0.00 0.00 29.97 31.62 1pyg h ARG 398 CO -0.01 1.36 -0.17 0.45 -3.11 0.00 0.00 179.97 178.49 1pyg h HIS 399 N 0.12 1.05 -0.68 2.20 3.86 -1.43 -1.60 115.15 118.68 1pyg h HIS 399 Ca -0.23 -0.23 -0.06 0.00 -1.16 0.00 0.00 60.37 58.68 1pyg h HIS 399 Cb 2.11 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 30.29 1pyg h HIS 399 CO 0.11 1.02 0.17 1.25 0.86 0.00 0.00 177.93 181.34 1pyg h LEU 400 N 0.82 1.01 -0.68 2.43 5.85 -1.35 0.21 115.31 123.60 1pyg h LEU 400 Ca 0.12 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1pyg h LEU 400 Cb 0.72 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1pyg h LEU 400 CO 0.06 0.97 0.42 1.56 -0.34 0.00 0.00 178.44 181.10 1pyg h GLN 401 N 1.02 0.79 -0.42 1.25 4.20 -1.20 0.90 115.11 121.64 1pyg h GLN 401 Ca 0.22 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 1pyg h GLN 401 Cb 0.35 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1pyg h GLN 401 CO 0.00 0.52 -0.21 0.82 -0.67 0.00 0.00 178.83 179.29 1pyg h ILE 402 N 0.81 1.27 -0.60 2.54 2.04 -0.40 -2.00 117.51 121.16 1pyg h ILE 402 Ca 0.28 -1.34 -0.09 0.00 1.00 0.00 0.00 64.86 64.71 1pyg h ILE 402 Cb 0.05 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1pyg h ILE 402 CO -0.12 0.45 0.02 0.40 0.00 0.00 0.00 178.15 178.90 1pyg h ILE 403 N 0.74 1.27 -0.48 -0.67 2.04 0.17 -1.88 117.51 118.70 1pyg h ILE 403 Ca 0.10 -1.12 -0.01 0.00 1.00 0.00 0.00 64.86 64.83 1pyg h ILE 403 Cb 0.74 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1pyg h ILE 403 CO 0.06 0.41 0.26 1.88 0.00 0.00 0.00 178.15 180.75 1pyg h TYR 404 N 0.95 0.66 0.00 1.37 0.05 -0.72 -1.59 116.97 117.70 1pyg h TYR 404 Ca 0.17 -0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 1pyg h TYR 404 Cb 0.53 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.05 1pyg h TYR 404 CO 0.04 0.50 -0.62 1.49 -1.05 0.00 0.00 178.16 178.52 1pyg h GLU 405 N 0.63 0.00 -0.09 4.88 4.57 -0.84 -0.65 114.58 123.08 1pyg h GLU 405 Ca 0.17 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1pyg h GLU 405 Cb 0.06 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1pyg h GLU 405 CO -0.03 0.62 0.05 0.82 -1.18 0.00 0.00 179.01 179.30 1pyg h ILE 406 N 0.00 1.05 -0.39 2.32 2.04 -1.34 -2.22 117.51 118.97 1pyg h ILE 406 Ca -0.01 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1pyg h ILE 406 Cb 1.12 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1pyg h ILE 406 CO 0.08 0.04 0.17 -1.13 0.00 0.00 0.00 178.15 177.31 1pyg h ASN 407 N 0.09 0.52 -1.00 1.72 -1.24 -0.78 0.20 115.58 115.09 1pyg h ASN 407 Ca 0.03 -0.15 0.05 0.00 0.71 0.00 0.00 56.30 56.94 1pyg h ASN 407 Cb 0.02 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 38.88 1pyg h ASN 407 CO -0.01 0.52 0.65 -0.61 -1.29 0.00 0.00 177.43 176.70 1pyg h GLN 408 N 0.48 1.19 0.01 6.67 4.15 -0.92 0.12 115.11 126.80 1pyg h GLN 408 Ca 0.13 -0.07 -0.19 0.00 0.77 0.00 0.00 58.65 59.29 1pyg h GLN 408 Cb 0.16 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1pyg h GLN 408 CO -0.01 0.79 -0.87 0.00 -1.93 0.00 0.00 178.83 176.80 1pyg h ARG 409 N 1.22 0.11 0.13 1.69 3.08 -1.19 -2.87 114.38 116.55 1pyg h ARG 409 Ca 0.41 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 1pyg h ARG 409 Cb 0.07 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1pyg h ARG 409 CO -0.14 0.91 -0.06 0.35 -1.07 0.00 0.00 179.97 179.95 1pyg h PHE 410 N 0.06 -0.16 0.00 3.04 3.57 0.13 -1.28 116.94 122.30 1pyg h PHE 410 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1pyg h PHE 410 Cb 1.51 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.30 1pyg h PHE 410 CO 0.02 0.18 0.03 1.28 -2.23 0.00 0.00 178.31 177.59 1pyg n LEU 411 N -5.01 0.24 -0.01 0.59 4.32 0.04 -0.40 117.00 116.78 1pyg n LEU 411 Ca -0.09 0.59 -0.13 0.00 -0.02 0.00 0.00 56.01 56.37 1pyg n LEU 411 Cb 0.22 -0.62 -0.14 0.00 -1.62 0.00 0.00 43.42 41.26 1pyg n LEU 411 CO 0.32 -0.68 -0.59 0.78 -1.22 0.00 0.00 177.39 176.00 1pyg h ASN 412 N 0.00 0.14 -0.11 -1.43 -0.26 -1.02 -2.83 115.58 110.08 1pyg h ASN 412 Ca 0.00 -0.32 -0.03 0.00 -0.56 0.00 0.00 56.30 55.40 1pyg h ASN 412 Cb 0.07 -0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.28 1pyg h ASN 412 CO 0.00 1.28 -0.03 0.03 -1.06 0.00 0.00 177.43 177.65 1pyg h ARG 413 N 0.03 0.22 -0.48 0.81 3.08 0.03 -1.96 114.38 116.11 1pyg h ARG 413 Ca -0.32 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.53 1pyg h ARG 413 Cb 2.02 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.04 1pyg h ARG 413 CO 0.09 0.53 -0.15 -0.24 -1.07 0.00 0.00 179.97 179.12 1pyg h VAL 414 N -0.11 1.27 -0.78 2.04 3.04 -1.44 -1.75 116.25 118.51 1pyg h VAL 414 Ca 0.03 -1.28 0.07 0.00 -1.01 0.00 0.00 66.70 64.51 1pyg h VAL 414 Cb 0.45 1.06 -0.05 0.00 -2.01 0.00 0.00 31.29 30.74 1pyg h VAL 414 CO 0.01 0.44 0.51 0.00 -1.01 0.00 0.00 177.57 177.53 1pyg h ALA 415 N 1.01 1.68 -0.15 3.17 0.00 -1.35 0.15 119.26 123.77 1pyg h ALA 415 Ca 0.12 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1pyg h ALA 415 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1pyg h ALA 415 CO 0.05 0.18 -0.60 0.00 0.00 0.00 0.00 179.25 178.89 1pyg h ALA 416 N 1.59 0.68 0.00 0.00 0.00 -0.92 -2.89 119.26 117.72 1pyg h ALA 416 Ca 0.35 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1pyg h ALA 416 Cb 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pyg h ALA 416 CO -0.12 0.71 -0.75 0.00 0.00 0.00 0.00 179.25 179.08 1pyg h ALA 417 N 0.97 0.56 -2.35 0.00 0.00 -0.59 -3.38 119.26 114.47 1pyg h ALA 417 Ca -0.00 -0.66 -0.59 0.00 0.00 0.00 0.00 54.91 53.66 1pyg h ALA 417 Cb 1.14 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.46 1pyg h ALA 417 CO 0.11 0.89 -0.89 1.19 0.00 0.00 0.00 179.25 180.55 1pyg n PHE 418 N -3.25 0.63 -2.02 0.00 3.72 0.44 -5.08 117.46 111.89 1pyg n PHE 418 Ca 0.00 -3.68 -0.42 0.00 -0.05 0.00 0.00 57.45 53.30 1pyg n PHE 418 Cb 0.82 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 39.14 1pyg n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 1pyg s PRO 419 N -0.96 4.26 0.00 -1.08 0.02 -1.09 -2.23 135.00 133.92 1pyg s PRO 419 Ca 0.33 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1pyg s PRO 419 Cb 0.08 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.42 1pyg s PRO 419 CO -0.14 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1pyg n GLY 420 N 3.59 2.88 3.57 0.52 0.00 -1.26 -4.94 105.19 109.54 1pyg n GLY 420 Ca 0.13 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 0.68 4.41 0.21 1.61 -1.08 -0.94 -4.73 116.67 116.82 1pyg s ASP 421 Ca 0.00 -1.02 0.10 0.00 -0.52 0.00 0.00 52.55 51.11 1pyg s ASP 421 Cb 0.00 -2.58 0.08 0.00 -1.46 0.00 0.00 42.92 38.96 1pyg s ASP 421 CO 0.00 -3.64 1.45 -0.37 0.52 0.00 0.00 175.17 173.13 1pyg h VAL 422 N 6.76 1.42 0.00 1.11 -1.51 -1.92 -3.22 116.25 118.89 1pyg h VAL 422 Ca 0.10 -2.68 0.00 0.00 -1.23 0.00 0.00 66.70 62.89 1pyg h VAL 422 Cb 0.98 2.49 0.00 0.00 -2.13 0.00 0.00 31.29 32.63 1pyg h VAL 422 CO 1.13 0.74 0.00 -0.78 -1.23 0.00 0.00 177.57 177.42 1pyg h ASP 423 N 0.00 0.00 0.60 4.19 3.58 -1.99 -2.26 116.42 120.53 1pyg h ASP 423 Ca -0.01 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 1pyg h ASP 423 Cb 1.43 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.47 1pyg h ASP 423 CO 0.10 0.00 -0.88 -0.09 -2.88 0.00 0.00 179.24 175.49 1pyg h ARG 424 N 0.00 0.19 -0.48 0.28 2.43 -1.96 0.17 114.38 115.01 1pyg h ARG 424 Ca 0.00 -0.21 -0.10 0.00 -0.81 0.00 0.00 59.98 58.86 1pyg h ARG 424 Cb 0.73 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.32 1pyg h ARG 424 CO 0.00 0.95 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.23 1pyg h LEU 425 N 0.10 0.88 0.83 3.80 3.38 -1.46 0.96 115.31 123.80 1pyg h LEU 425 Ca -0.04 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1pyg h LEU 425 Cb 1.51 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.03 1pyg h LEU 425 CO 0.13 1.00 -0.40 -0.09 0.09 0.00 0.00 178.44 179.18 1pyg h ARG 426 N 0.79 -1.07 -0.69 1.13 2.43 -1.22 -2.92 114.38 112.82 1pyg h ARG 426 Ca 0.13 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 1pyg h ARG 426 Cb 0.63 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.38 1pyg h ARG 426 CO 0.04 -0.71 0.46 0.00 -1.51 0.00 0.00 179.97 178.25 1pyg h ARG 427 N -1.20 0.69 0.00 0.20 3.08 -0.52 -3.16 114.38 113.47 1pyg h ARG 427 Ca -0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1pyg h ARG 427 Cb 0.86 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1pyg h ARG 427 CO 0.19 0.45 -1.21 -1.33 -1.07 0.00 0.00 179.97 177.00 1pyg n MET 428 N -4.48 0.51 -1.56 0.04 2.81 0.32 -4.94 117.12 109.82 1pyg n MET 428 Ca 0.10 0.01 -0.45 0.00 -1.81 0.00 0.00 57.70 55.55 1pyg n MET 428 Cb 0.23 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.03 1pyg n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1pyg n SER 429 N -2.35 0.87 0.14 7.83 2.88 -1.10 -4.89 113.62 117.01 1pyg n SER 429 Ca -0.00 1.17 -0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1pyg n SER 429 Cb 0.52 -1.23 0.19 0.00 -0.75 0.00 0.00 64.21 62.94 1pyg n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1pyg h LEU 430 N 1.94 0.00 -8.87 2.46 4.07 -1.91 -3.41 115.31 109.58 1pyg h LEU 430 Ca -0.38 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.97 1pyg h LEU 430 Cb 1.36 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.98 1pyg h LEU 430 CO 0.61 0.59 0.29 -0.69 -1.08 0.00 0.00 178.44 178.15 1pyg s VAL 431 N -3.61 4.84 -0.00 1.22 1.01 -1.26 0.34 120.40 122.94 1pyg s VAL 431 Ca -0.01 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 62.73 1pyg s VAL 431 Cb 0.12 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1pyg s VAL 431 CO 0.75 -0.26 0.60 -1.61 0.00 0.00 0.00 175.10 174.58 1pyg s GLU 432 N 2.85 4.31 0.43 2.72 2.02 0.72 -4.95 118.70 126.80 1pyg s GLU 432 Ca 0.29 0.74 0.08 0.00 0.02 0.00 0.00 54.97 56.10 1pyg s GLU 432 Cb -0.14 -3.34 -0.01 0.00 0.10 0.00 0.00 34.13 30.74 1pyg s GLU 432 CO 0.13 0.38 0.41 -2.00 0.02 0.00 0.00 175.26 174.20 1pyg s GLU 433 N -0.22 2.54 0.00 1.61 2.12 -1.26 -1.68 118.70 121.80 1pyg s GLU 433 Ca 0.31 -1.54 0.00 0.00 0.36 0.00 0.00 54.97 54.10 1pyg s GLU 433 Cb -0.18 -2.41 0.00 0.00 0.26 0.00 0.00 34.13 31.80 1pyg s GLU 433 CO 0.17 -0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.05 1pyg n GLY 434 N -1.62 1.70 5.00 -1.50 0.00 -1.26 -4.86 105.19 102.65 1pyg n GLY 434 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 0.23 0.00 -3.37 4.61 0.00 -1.26 -4.63 120.51 116.09 1pyg n ALA 435 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 1pyg n ALA 435 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1pyg n ALA 435 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pyg s VAL 436 N 0.00 2.96 -0.08 0.00 1.01 -1.26 -5.09 120.40 117.95 1pyg s VAL 436 Ca 0.00 -0.66 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 1pyg s VAL 436 Cb 0.00 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1pyg s VAL 436 CO 0.00 0.50 1.19 -0.75 0.00 0.00 0.00 175.10 176.04 1pyg s LYS 437 N 0.84 4.34 0.14 2.72 2.47 -1.26 -4.59 119.74 124.40 1pyg s LYS 437 Ca -0.04 1.64 0.08 0.00 -1.56 0.00 0.00 55.97 56.10 1pyg s LYS 437 Cb -0.15 -3.59 -0.04 0.00 -1.46 0.00 0.00 37.83 32.60 1pyg s LYS 437 CO 0.00 -0.48 -0.18 1.03 0.16 0.00 0.00 175.35 175.88 1pyg s ARG 438 N 2.39 1.18 -0.11 4.03 0.52 -0.68 -1.43 118.95 124.86 1pyg s ARG 438 Ca 0.55 -1.30 -0.10 0.00 -0.52 0.00 0.00 55.73 54.36 1pyg s ARG 438 Cb -0.24 -1.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.91 1pyg s ARG 438 CO 0.20 0.27 0.23 0.42 0.02 0.00 0.00 175.30 176.44 1pyg s ILE 439 N -1.77 5.34 -0.39 1.52 -1.09 0.41 -0.20 121.20 125.03 1pyg s ILE 439 Ca 0.11 0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 58.81 1pyg s ILE 439 Cb -0.07 -3.53 0.01 0.00 -1.58 0.00 0.00 42.46 37.29 1pyg s ILE 439 CO 0.05 0.55 0.32 0.21 -1.23 0.00 0.00 174.94 174.84 1pyg s ASN 440 N -0.61 6.12 0.45 3.58 3.84 0.15 -1.93 114.94 126.55 1pyg s ASN 440 Ca 0.17 -0.67 0.25 0.00 0.21 0.00 0.00 52.86 52.82 1pyg s ASN 440 Cb -0.13 -2.17 0.81 0.00 -0.55 0.00 0.00 41.25 39.21 1pyg s ASN 440 CO 0.06 -0.41 1.78 0.24 -2.79 0.00 0.00 177.10 175.97 1pyg h MET 441 N 8.60 0.00 0.00 0.43 2.86 -1.42 -2.56 114.93 122.83 1pyg h MET 441 Ca -0.28 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.23 1pyg h MET 441 Cb 1.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1pyg h MET 441 CO 0.72 0.15 -0.60 0.00 1.06 0.00 0.00 176.91 178.24 1pyg h ALA 442 N 1.85 0.82 -0.11 6.32 0.00 -1.93 -0.79 119.26 125.42 1pyg h ALA 442 Ca -0.00 -0.54 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 1pyg h ALA 442 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1pyg h ALA 442 CO 0.02 0.75 -0.57 0.45 0.00 0.00 0.00 179.25 179.90 1pyg h HIS 443 N 0.00 0.44 -0.16 0.00 3.86 -1.85 -0.84 115.15 116.60 1pyg h HIS 443 Ca -0.01 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1pyg h HIS 443 Cb 1.20 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.58 1pyg h HIS 443 CO 0.00 0.83 0.09 1.25 0.86 0.00 0.00 177.93 180.97 1pyg h LEU 444 N 0.26 0.20 -1.26 2.43 5.85 -1.06 0.04 115.31 121.77 1pyg h LEU 444 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1pyg h LEU 444 Cb 1.08 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1pyg h LEU 444 CO 0.09 0.20 0.28 0.00 -0.34 0.00 0.00 178.44 178.67 1pyg h ILE 446 N 0.79 0.41 -0.76 0.00 1.08 -0.68 -2.02 117.51 116.33 1pyg h ILE 446 Ca 0.20 -0.78 0.17 0.00 -0.39 0.00 0.00 64.86 64.06 1pyg h ILE 446 Cb 0.08 0.67 -0.11 0.00 -3.07 0.00 0.00 36.82 34.38 1pyg h ILE 446 CO -0.03 0.10 0.17 0.00 -0.69 0.00 0.00 178.15 177.71 1pyg h ALA 447 N -0.71 0.98 -0.01 1.87 0.00 -0.90 -2.60 119.26 117.90 1pyg h ALA 447 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1pyg h ALA 447 Cb 0.49 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pyg h ALA 447 CO 0.07 -0.36 -0.41 0.41 0.00 0.00 0.00 179.25 178.97 1pyg n GLY 448 N -1.36 -0.43 3.77 0.00 0.00 -0.61 -4.94 105.19 101.62 1pyg n GLY 448 Ca 0.15 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.56 5.59 0.03 1.61 0.01 -0.76 -3.71 113.70 113.92 1pyg s SER 449 Ca 0.20 0.11 0.25 0.00 1.31 0.00 0.00 55.95 57.83 1pyg s SER 449 Cb 0.18 -1.58 1.04 0.00 0.21 0.00 0.00 66.02 65.88 1pyg s SER 449 CO 0.58 0.27 1.80 0.00 0.41 0.00 0.00 173.24 176.29 1pyg n HIS 450 N 1.16 0.12 -3.72 2.43 -0.00 -0.64 -4.80 115.22 109.77 1pyg n HIS 450 Ca -0.13 0.04 -0.12 0.00 -0.00 0.00 0.00 57.72 57.51 1pyg n HIS 450 Cb 0.53 -0.56 -0.12 0.00 -0.00 0.00 0.00 29.99 29.83 1pyg n HIS 450 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1pyg s ALA 451 N -3.02 -0.74 -0.01 1.59 0.00 -1.26 -4.50 121.76 113.82 1pyg s ALA 451 Ca 0.12 1.18 0.07 0.00 0.00 0.00 0.00 51.96 53.32 1pyg s ALA 451 Cb 0.16 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 1pyg s ALA 451 CO 0.47 -0.22 -0.21 0.14 0.00 0.00 0.00 175.76 175.94 1pyg s VAL 452 N 1.24 1.67 0.07 0.00 -7.23 0.83 -1.57 120.40 115.41 1pyg s VAL 452 Ca -0.09 -0.93 -0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1pyg s VAL 452 Cb -0.09 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 1pyg s VAL 452 CO -0.09 0.45 -0.02 0.54 -0.31 0.00 0.00 175.10 175.66 1pyg s ASN 453 N -0.56 0.59 0.38 4.85 4.22 -0.97 -0.52 114.94 122.93 1pyg s ASN 453 Ca 0.08 -1.03 0.08 0.00 -2.14 0.00 0.00 52.86 49.85 1pyg s ASN 453 Cb -0.08 0.19 -0.05 0.00 1.28 0.00 0.00 41.25 42.59 1pyg s ASN 453 CO -0.01 -0.59 0.14 -0.83 -2.04 0.00 0.00 177.10 173.78 1pyg s GLY 454 N -2.96 2.19 -0.20 0.45 0.00 -1.14 -1.41 107.32 104.25 1pyg s GLY 454 Ca 0.10 -2.01 0.15 0.00 0.00 0.00 0.00 44.72 42.96 1pyg s GLY 454 CO -0.07 -1.87 1.69 3.33 0.00 0.00 0.00 173.10 176.17 1pyg n VAL 455 N -1.17 2.50 -3.65 1.40 0.24 -1.26 -1.35 118.33 115.05 1pyg n VAL 455 Ca -0.02 -1.41 -0.02 0.00 -2.04 0.00 0.00 64.34 60.85 1pyg n VAL 455 Cb 0.63 -0.18 -0.07 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.56 -2.37 0.24 2.33 0.00 -1.26 -1.36 121.76 116.79 1pyg s ALA 456 Ca 0.52 1.86 -0.08 0.00 0.00 0.00 0.00 51.96 54.27 1pyg s ALA 456 Cb 0.39 -1.82 0.40 0.00 0.00 0.00 0.00 23.12 22.09 1pyg s ALA 456 CO 0.17 -0.22 1.64 -0.09 0.00 0.00 0.00 175.76 177.27 1pyg h ARG 457 N 4.27 0.10 -0.38 0.00 2.43 -1.91 0.85 114.38 119.73 1pyg h ARG 457 Ca -0.27 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 58.88 1pyg h ARG 457 Cb 1.18 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1pyg h ARG 457 CO 0.19 0.07 0.18 0.82 -1.51 0.00 0.00 179.97 179.73 1pyg h ILE 458 N 0.10 1.17 -0.39 1.20 1.08 -1.95 -2.22 117.51 116.50 1pyg h ILE 458 Ca 0.39 -0.48 -0.10 0.00 -0.39 0.00 0.00 64.86 64.28 1pyg h ILE 458 Cb 0.68 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 1pyg h ILE 458 CO -0.64 0.18 -0.18 -0.74 -0.69 0.00 0.00 178.15 176.08 1pyg h HIS 459 N 0.48 0.83 0.00 1.37 2.76 -1.15 0.13 115.15 119.56 1pyg h HIS 459 Ca 0.13 -0.17 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 1pyg h HIS 459 Cb 0.12 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1pyg h HIS 459 CO -0.01 0.87 -0.27 0.77 -1.30 0.00 0.00 177.93 177.99 1pyg h SER 460 N 0.66 0.00 -0.06 3.26 0.02 -0.95 -0.19 113.55 116.28 1pyg h SER 460 Ca 0.10 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1pyg h SER 460 Cb 0.67 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.22 1pyg h SER 460 CO 0.05 0.27 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.24 1pyg h GLU 461 N 0.00 0.41 -0.86 3.45 4.39 -0.58 -3.15 114.58 118.24 1pyg h GLU 461 Ca -0.00 -0.35 0.15 0.00 0.34 0.00 0.00 59.36 59.49 1pyg h GLU 461 Cb 0.57 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.21 1pyg h GLU 461 CO 0.04 1.00 0.45 0.82 -1.16 0.00 0.00 179.01 180.16 1pyg h ILE 462 N -0.06 0.72 -0.97 3.13 1.08 -0.54 -0.04 117.51 120.83 1pyg h ILE 462 Ca -0.04 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1pyg h ILE 462 Cb 1.10 0.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 1pyg h ILE 462 CO 0.09 0.12 0.63 -0.07 -0.69 0.00 0.00 178.15 178.22 1pyg h LEU 463 N 0.63 1.14 -0.46 1.44 3.38 -1.01 0.45 115.31 120.87 1pyg h LEU 463 Ca 0.47 -0.04 -0.17 0.00 0.09 0.00 0.00 57.88 58.23 1pyg h LEU 463 Cb 0.68 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1pyg h LEU 463 CO -0.37 0.84 -0.76 0.11 0.09 0.00 0.00 178.44 178.35 1pyg h LYS 464 N 1.33 0.10 0.00 1.13 1.57 -1.14 0.28 116.57 119.84 1pyg h LYS 464 Ca 0.35 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.96 1pyg h LYS 464 Cb -0.12 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1pyg h LYS 464 CO -0.07 0.81 -0.44 0.87 -0.57 0.00 0.00 179.45 180.05 1pyg h LYS 465 N 0.06 0.00 0.00 3.15 1.79 -0.70 -3.31 116.57 117.57 1pyg h LYS 465 Ca -0.02 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1pyg h LYS 465 Cb 1.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1pyg h LYS 465 CO 0.11 1.00 0.00 0.25 -1.08 0.00 0.00 179.45 179.73 1pyg n THR 466 N -4.54 0.00 0.10 -0.16 -2.24 0.12 -4.50 114.28 103.05 1pyg n THR 466 Ca -0.18 0.26 -0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1pyg n THR 466 Cb 0.55 -1.22 -0.05 0.00 -2.10 0.00 0.00 70.33 67.50 1pyg n THR 466 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1pyg h ILE 467 N 0.00 0.56 -0.89 2.28 2.04 -1.63 -2.92 117.51 116.95 1pyg h ILE 467 Ca 0.00 0.00 -0.59 0.00 1.00 0.00 0.00 64.86 65.27 1pyg h ILE 467 Cb 0.00 0.56 -0.39 0.00 -0.74 0.00 0.00 36.82 36.25 1pyg h ILE 467 CO 0.00 0.00 -0.31 0.49 0.00 0.00 0.00 178.15 178.33 1pyg n PHE 468 N -5.32 2.92 -0.16 1.37 3.72 0.99 -4.78 117.46 116.20 1pyg n PHE 468 Ca -0.06 -2.49 -0.09 0.00 -0.05 0.00 0.00 57.45 54.76 1pyg n PHE 468 Cb 0.23 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 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 2.17 0.72 -0.43 -1.08 3.64 -1.52 -0.63 116.57 119.44 1pyg h LYS 469 Ca 0.44 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1pyg h LYS 469 Cb 1.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 1pyg h LYS 469 CO 1.01 0.68 0.17 -0.44 -2.27 0.00 0.00 179.45 178.59 1pyg h ASP 470 N 0.63 0.55 -0.09 4.20 3.32 -1.86 0.97 116.42 124.14 1pyg h ASP 470 Ca 0.15 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1pyg h ASP 470 Cb 0.24 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1pyg h ASP 470 CO -0.01 0.50 -0.18 -0.26 -1.72 0.00 0.00 179.24 177.57 1pyg h PHE 471 N 0.60 0.35 -0.86 4.55 0.04 -1.83 -0.73 116.94 119.06 1pyg h PHE 471 Ca 0.15 -0.13 0.05 0.00 2.80 0.00 0.00 57.97 60.84 1pyg h PHE 471 Cb 0.13 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.16 1pyg h PHE 471 CO 0.01 0.78 0.56 -0.92 -0.60 0.00 0.00 178.31 178.14 1pyg h TYR 472 N -0.18 1.00 -0.41 -0.55 3.20 -0.75 -0.58 116.97 118.70 1pyg h TYR 472 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1pyg h TYR 472 Cb 0.77 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1pyg h TYR 472 CO 0.11 0.55 0.26 1.49 -1.64 0.00 0.00 178.16 178.94 1pyg h GLU 473 N 1.01 0.52 0.17 1.82 4.81 -0.53 -2.61 114.58 119.78 1pyg h GLU 473 Ca 0.36 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.55 1pyg h GLU 473 Cb 0.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1pyg h GLU 473 CO -0.12 0.35 -0.08 1.25 -0.73 0.00 0.00 179.01 179.67 1pyg h LEU 474 N 0.54 -0.19 -5.98 1.64 5.85 -0.24 -3.41 115.31 113.51 1pyg h LEU 474 Ca 0.15 -0.34 -0.56 0.00 0.84 0.00 0.00 57.88 57.97 1pyg h LEU 474 Cb -0.04 0.05 -0.40 0.00 0.37 0.00 0.00 40.66 40.63 1pyg h LEU 474 CO -0.04 0.33 -0.92 -1.84 -0.34 0.00 0.00 178.44 175.62 1pyg n GLU 475 N -4.95 1.55 -0.27 1.25 0.28 -0.31 -4.99 120.64 113.21 1pyg n GLU 475 Ca -0.08 -3.84 0.08 0.00 -0.16 0.00 0.00 57.16 53.16 1pyg n GLU 475 Cb 0.27 -1.70 0.32 0.00 1.43 0.00 0.00 31.44 31.75 1pyg n GLU 475 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1pyg h PRO 476 N 3.78 0.81 -1.06 3.44 0.13 -1.66 -1.38 132.00 136.07 1pyg h PRO 476 Ca 0.12 -0.05 0.31 0.00 -0.87 0.00 0.00 66.00 65.51 1pyg h PRO 476 Cb 0.79 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 31.70 1pyg h PRO 476 CO 0.61 0.54 1.01 1.12 -0.23 0.00 0.00 178.00 181.05 1pyg h HIS 477 N 0.84 0.00 0.00 1.56 2.07 -1.94 -2.26 115.15 115.42 1pyg h HIS 477 Ca 0.41 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.82 1pyg h HIS 477 Cb 0.44 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.40 1pyg h HIS 477 CO -0.00 0.00 -0.51 0.87 -3.07 0.00 0.00 177.93 175.22 1pyg h LYS 478 N 0.00 0.00 -6.07 5.12 1.57 -1.47 -3.45 116.57 112.27 1pyg h LYS 478 Ca 0.50 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.71 1pyg h LYS 478 Cb 2.51 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.77 1pyg h LYS 478 CO -0.01 0.51 0.60 -0.06 -0.57 0.00 0.00 179.45 179.92 1pyg s PHE 479 N -3.72 3.41 0.26 -1.35 0.40 -0.85 -0.12 117.98 116.01 1pyg s PHE 479 Ca -0.01 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 57.75 1pyg s PHE 479 Cb 0.13 -3.16 -0.05 0.00 0.51 0.00 0.00 43.02 40.45 1pyg s PHE 479 CO 0.73 -0.34 0.12 -0.65 0.70 0.00 0.00 175.22 175.78 1pyg s GLN 480 N 2.57 1.42 0.05 0.44 -0.21 0.32 -4.94 119.66 119.31 1pyg s GLN 480 Ca 0.43 -1.78 0.05 0.00 0.02 0.00 0.00 55.36 54.08 1pyg s GLN 480 Cb -0.16 -0.12 -0.02 0.00 1.00 0.00 0.00 33.01 33.70 1pyg s GLN 480 CO 0.11 -0.36 -0.14 1.21 -2.12 0.00 0.00 175.29 174.00 1pyg s ASN 481 N -3.30 1.60 -0.20 5.90 2.47 -1.26 -2.87 114.94 117.27 1pyg s ASN 481 Ca 0.37 -0.52 -0.04 0.00 0.42 0.00 0.00 52.86 53.09 1pyg s ASN 481 Cb 0.07 -0.07 0.08 0.00 -1.45 0.00 0.00 41.25 39.88 1pyg s ASN 481 CO 0.14 -0.03 0.15 -0.54 -3.72 0.00 0.00 177.10 173.11 1pyg s LYS 482 N -1.41 0.14 0.17 0.43 -0.14 -0.46 -4.89 119.74 113.59 1pyg s LYS 482 Ca -0.01 -0.05 -0.30 0.00 -1.36 0.00 0.00 55.97 54.25 1pyg s LYS 482 Cb -0.09 -1.47 -0.08 0.00 -1.68 0.00 0.00 37.83 34.52 1pyg s LYS 482 CO 0.02 -0.73 1.10 0.99 -0.76 0.00 0.00 175.35 175.97 1pyg s THR 483 N 2.21 3.87 1.15 2.17 2.01 -1.26 -3.99 115.64 121.79 1pyg s THR 483 Ca 0.05 1.60 -0.13 0.00 0.31 0.00 0.00 61.69 63.53 1pyg s THR 483 Cb -0.16 -4.02 0.28 0.00 0.01 0.00 0.00 72.50 68.60 1pyg s THR 483 CO -0.15 0.27 1.04 0.20 -0.69 0.00 0.00 174.62 175.28 1pyg s ASN 484 N -0.06 1.11 0.26 3.53 0.02 -0.46 -4.63 114.94 114.69 1pyg s ASN 484 Ca 0.50 1.53 -0.19 0.00 -1.02 0.00 0.00 52.86 53.67 1pyg s ASN 484 Cb -0.29 -2.29 0.02 0.00 0.02 0.00 0.00 41.25 38.71 1pyg s ASN 484 CO 0.35 -4.12 0.65 -0.83 0.02 0.00 0.00 177.10 173.16 1pyg s GLY 485 N -2.57 -0.02 0.49 0.66 0.00 -1.26 -4.85 107.32 99.77 1pyg s GLY 485 Ca 0.68 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.09 1pyg s GLY 485 CO 0.64 -0.18 0.11 -0.26 0.00 0.00 0.00 173.10 173.41 1pyg s ILE 486 N -3.92 1.52 -0.20 0.90 -4.36 -0.53 -4.46 121.20 110.15 1pyg s ILE 486 Ca 0.12 -1.85 -0.06 0.00 -0.26 0.00 0.00 60.65 58.60 1pyg s ILE 486 Cb -0.04 -2.37 -0.03 0.00 1.25 0.00 0.00 42.46 41.27 1pyg s ILE 486 CO 0.05 0.00 0.04 0.28 0.24 0.00 0.00 174.94 175.55 1pyg s THR 487 N -2.80 4.38 -1.34 8.37 -1.32 -1.26 0.36 115.64 122.03 1pyg s THR 487 Ca 0.20 -0.17 0.07 0.00 -1.21 0.00 0.00 61.69 60.58 1pyg s THR 487 Cb 0.02 -2.99 0.11 0.00 -1.51 0.00 0.00 72.50 68.13 1pyg s THR 487 CO 0.11 0.43 1.11 -0.81 -2.21 0.00 0.00 174.62 173.25 1pyg n PRO 488 N 4.03 0.08 -0.01 7.08 -0.04 -1.26 -2.60 135.00 142.28 1pyg n PRO 488 Ca -0.17 0.25 -0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1pyg n PRO 488 Cb 0.52 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1pyg n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pyg h ARG 489 N 0.00 0.00 0.21 0.54 -0.00 -1.93 -2.92 114.38 110.29 1pyg h ARG 489 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.47 1pyg h ARG 489 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.05 1pyg h ARG 489 CO 0.00 0.00 -0.10 -0.09 0.00 0.00 0.00 179.97 179.78 1pyg h ARG 490 N -0.26 -0.28 0.00 0.04 2.43 -1.96 0.25 114.38 114.60 1pyg h ARG 490 Ca 0.00 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1pyg h ARG 490 Cb 0.04 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1pyg h ARG 490 CO 0.00 -0.15 0.00 0.91 -1.51 0.00 0.00 179.97 179.22 1pyg n TRP 491 N -5.20 0.00 0.01 2.20 7.02 -1.07 -1.03 117.44 119.38 1pyg n TRP 491 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.39 1pyg n TRP 491 Cb 0.15 -0.30 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 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 -1.30 -0.01 0.25 -0.99 7.94 -0.95 -4.65 117.00 117.30 1pyg n LEU 492 Ca 0.08 0.03 0.12 0.00 -1.11 0.00 0.00 56.01 55.13 1pyg n LEU 492 Cb 0.15 0.02 0.62 0.00 0.53 0.00 0.00 43.42 44.74 1pyg n LEU 492 CO 0.14 -0.52 0.90 -0.37 -1.11 0.00 0.00 177.39 176.43 1pyg h VAL 493 N 0.00 0.53 0.00 1.96 -1.51 -0.42 0.27 116.25 117.08 1pyg h VAL 493 Ca 0.00 -0.78 -0.07 0.00 -1.23 0.00 0.00 66.70 64.62 1pyg h VAL 493 Cb 0.00 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 1pyg h VAL 493 CO 0.00 0.16 -0.41 0.25 -1.23 0.00 0.00 177.57 176.34 1pyg h LEU 494 N 0.00 0.00 0.00 4.19 6.46 -1.01 -3.31 115.31 121.64 1pyg h LEU 494 Ca -0.00 -0.78 0.00 0.00 -0.12 0.00 0.00 57.88 56.98 1pyg h LEU 494 Cb 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1pyg h LEU 494 CO 0.02 1.13 -0.76 0.00 -0.62 0.00 0.00 178.44 178.21 1pyg n ASN 496 N -1.88 2.39 -0.18 0.00 4.05 0.92 -4.81 115.26 115.75 1pyg n ASN 496 Ca 0.03 -3.19 0.30 0.00 0.45 0.00 0.00 54.58 52.17 1pyg n ASN 496 Cb 0.41 -0.56 0.71 0.00 1.23 0.00 0.00 39.78 41.57 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 2.93 0.00 -0.20 1.20 0.13 -1.69 0.95 132.00 135.32 1pyg h PRO 497 Ca 0.09 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.00 1pyg h PRO 497 Cb 0.91 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.05 1pyg h PRO 497 CO 0.62 0.00 -0.70 0.78 -0.23 0.00 0.00 178.00 178.47 1pyg h GLY 498 N 0.00 0.92 1.09 1.56 0.00 -1.92 0.14 103.07 104.86 1pyg h GLY 498 Ca 0.44 -1.21 -0.16 0.00 0.00 0.00 0.00 47.33 46.39 1pyg h GLY 498 CO -0.00 1.08 -0.44 -2.00 0.00 0.00 0.00 176.54 175.18 1pyg h LEU 499 N 0.60 0.92 -0.64 3.11 7.12 -1.21 -1.46 115.31 123.75 1pyg h LEU 499 Ca -0.03 -0.51 -0.04 0.00 0.13 0.00 0.00 57.88 57.43 1pyg h LEU 499 Cb 1.32 -0.26 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 1pyg h LEU 499 CO 0.15 1.25 0.24 0.00 -0.13 0.00 0.00 178.44 179.95 1pyg h ALA 500 N 0.70 0.83 0.28 1.25 0.00 -1.46 -0.40 119.26 120.46 1pyg h ALA 500 Ca 0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1pyg h ALA 500 Cb 1.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1pyg h ALA 500 CO 0.10 0.46 -0.25 1.49 0.00 0.00 0.00 179.25 181.06 1pyg h GLU 501 N 0.90 -0.53 0.00 0.00 4.81 -0.64 -0.19 114.58 118.94 1pyg h GLU 501 Ca 0.21 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1pyg h GLU 501 Cb 0.23 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1pyg h GLU 501 CO -0.01 -0.35 -0.36 -0.84 -0.73 0.00 0.00 179.01 176.72 1pyg h ILE 502 N -0.55 1.08 -0.15 2.32 3.07 -1.08 -1.29 117.51 120.90 1pyg h ILE 502 Ca -0.01 -1.30 -0.16 0.00 1.55 0.00 0.00 64.86 64.94 1pyg h ILE 502 Cb 0.49 1.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.78 1pyg h ILE 502 CO -0.04 0.35 -0.56 0.40 -1.05 0.00 0.00 178.15 177.25 1pyg h ILE 503 N 0.00 1.34 0.15 0.16 2.04 -0.88 -3.24 117.51 117.07 1pyg h ILE 503 Ca -0.00 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 1pyg h ILE 503 Cb 0.71 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1pyg h ILE 503 CO 0.05 0.56 -0.07 0.00 0.00 0.00 0.00 178.15 178.69 1pyg h ALA 504 N 1.03 -0.20 0.00 1.87 0.00 0.08 0.04 119.26 122.08 1pyg h ALA 504 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pyg h ALA 504 Cb 1.09 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pyg h ALA 504 CO 0.10 -0.58 0.00 -0.85 0.00 0.00 0.00 179.25 177.92 1pyg n GLU 505 N -5.14 0.16 -0.10 0.00 0.28 -0.76 0.44 120.64 115.52 1pyg n GLU 505 Ca -0.09 0.52 -0.11 0.00 -0.16 0.00 0.00 57.16 57.33 1pyg n GLU 505 Cb 0.13 -1.90 -0.13 0.00 1.43 0.00 0.00 31.44 30.97 1pyg n GLU 505 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1pyg n ARG 506 N -2.21 0.88 -1.31 3.44 1.74 -0.98 -4.81 116.66 113.41 1pyg n ARG 506 Ca 0.00 0.04 0.02 0.00 -0.77 0.00 0.00 57.85 57.14 1pyg n ARG 506 Cb 0.13 -1.47 0.10 0.00 -1.02 0.00 0.00 32.46 30.20 1pyg n ARG 506 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1pyg n ILE 507 N -2.84 1.21 -1.34 0.55 -5.35 -0.04 -5.12 119.36 106.43 1pyg n ILE 507 Ca -0.34 -2.35 0.06 0.00 -0.27 0.00 0.00 62.75 59.86 1pyg n ILE 507 Cb 1.04 0.35 -0.02 0.00 -1.74 0.00 0.00 39.64 39.28 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 -0.35 -2.03 0.54 3.28 0.00 0.17 -4.36 105.19 102.44 1pyg n GLY 508 Ca 0.15 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.01 1.57 0.08 1.61 1.02 -1.26 -4.17 120.64 117.48 1pyg n GLU 509 Ca 0.00 -1.09 0.06 0.00 -0.02 0.00 0.00 57.16 56.11 1pyg n GLU 509 Cb 0.21 -1.48 0.50 0.00 -0.02 0.00 0.00 31.44 30.66 1pyg n GLU 509 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1pyg h GLU 510 N 2.67 0.35 -0.71 3.49 4.81 -1.95 -2.95 114.58 120.29 1pyg h GLU 510 Ca 0.00 -0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.37 1pyg h GLU 510 Cb 0.66 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.92 1pyg h GLU 510 CO 0.00 0.23 0.49 0.10 -0.73 0.00 0.00 179.01 179.10 1pyg h TYR 511 N 0.36 0.30 -0.13 0.92 -0.00 -1.79 -1.23 116.97 115.41 1pyg h TYR 511 Ca 0.11 0.01 0.04 0.00 -0.00 0.00 0.00 58.73 58.88 1pyg h TYR 511 Cb -0.01 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 36.62 1pyg h TYR 511 CO -0.00 0.11 0.20 0.82 -0.00 0.00 0.00 178.16 179.29 1pyg h ILE 512 N 0.25 0.29 0.00 -0.90 2.04 -1.87 -0.98 117.51 116.34 1pyg h ILE 512 Ca 0.35 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.21 1pyg h ILE 512 Cb 1.01 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1pyg h ILE 512 CO -0.08 0.00 -0.00 -1.54 0.00 0.00 0.00 178.15 176.53 1pyg n SER 513 N -3.50 0.34 -3.29 1.72 3.41 -0.98 -4.58 113.62 106.74 1pyg n SER 513 Ca 0.00 -1.17 -0.24 0.00 -0.26 0.00 0.00 58.87 57.20 1pyg n SER 513 Cb 0.31 -0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.17 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 -0.09 -0.62 0.06 4.04 2.03 -0.50 -5.01 116.55 116.46 1pyg n ASP 514 Ca 0.00 -2.49 0.09 0.00 0.52 0.00 0.00 54.79 52.91 1pyg n ASP 514 Cb 0.46 -0.36 0.38 0.00 -0.72 0.00 0.00 41.12 40.88 1pyg n ASP 514 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1pyg n LEU 515 N 2.53 0.28 0.21 -2.67 7.94 -0.47 -2.27 117.00 122.55 1pyg n LEU 515 Ca 0.27 0.57 0.17 0.00 -1.11 0.00 0.00 56.01 55.91 1pyg n LEU 515 Cb 0.50 -0.53 0.84 0.00 0.53 0.00 0.00 43.42 44.75 1pyg n LEU 515 CO 0.09 -0.39 1.15 0.44 -1.11 0.00 0.00 177.39 177.57 1pyg h ASP 516 N 0.00 0.00 0.00 1.96 3.32 -1.86 -2.20 116.42 117.64 1pyg h ASP 516 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1pyg h ASP 516 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1pyg h ASP 516 CO 0.00 0.00 0.02 0.00 -1.72 0.00 0.00 179.24 177.54 1pyg n GLN 517 N -3.78 0.03 0.30 3.56 6.02 -0.96 -2.34 117.38 120.21 1pyg n GLN 517 Ca 0.01 0.52 0.19 0.00 -0.01 0.00 0.00 57.00 57.71 1pyg n GLN 517 Cb 0.32 -1.62 0.87 0.00 1.02 0.00 0.00 30.24 30.82 1pyg n GLN 517 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1pyg h LEU 518 N 0.00 0.00 -1.70 1.08 3.38 -1.64 -2.76 115.31 113.67 1pyg h LEU 518 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyg h LEU 518 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pyg h LEU 518 CO 0.00 0.02 0.00 0.03 0.09 0.00 0.00 178.44 178.58 1pyg h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -1.12 0.29 114.38 117.77 1pyg h ARG 519 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1pyg h ARG 519 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1pyg h ARG 519 CO 0.00 0.00 -0.05 0.87 -1.07 0.00 0.00 179.97 179.72 1pyg h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.74 0.06 116.57 116.50 1pyg h LYS 520 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1pyg h LYS 520 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1pyg h LYS 520 CO 0.00 0.05 0.00 -0.07 -0.57 0.00 0.00 179.45 178.86 1pyg h LEU 521 N 0.00 0.00 -1.18 2.94 3.38 -0.61 -1.81 115.31 118.03 1pyg h LEU 521 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1pyg h LEU 521 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pyg h LEU 521 CO 0.01 0.00 -0.36 -0.07 0.09 0.00 0.00 178.44 178.11 1pyg h LEU 522 N 0.00 0.09 -1.30 1.67 3.38 -1.14 0.09 115.31 118.11 1pyg h LEU 522 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1pyg h LEU 522 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1pyg h LEU 522 CO 0.00 0.45 0.14 0.28 0.09 0.00 0.00 178.44 179.40 1pyg h SER 523 N 0.08 0.00 -0.42 -0.43 0.02 -1.46 -1.60 113.55 109.74 1pyg h SER 523 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1pyg h SER 523 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1pyg h SER 523 CO 0.05 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.52 1pyg n TYR 524 N -2.24 0.56 -0.04 3.45 4.02 0.02 -4.52 117.16 118.41 1pyg n TYR 524 Ca -0.01 -0.49 0.13 0.00 -0.01 0.00 0.00 57.90 57.52 1pyg n TYR 524 Cb 0.17 -0.02 0.54 0.00 -0.02 0.00 0.00 39.34 40.02 1pyg n TYR 524 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1pyg h VAL 525 N 2.51 0.88 -0.64 -0.72 2.07 -1.32 0.53 116.25 119.56 1pyg h VAL 525 Ca 0.00 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1pyg h VAL 525 Cb 0.78 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1pyg h VAL 525 CO 0.00 0.06 0.00 0.47 0.02 0.00 0.00 177.57 178.12 1pyg n ASP 526 N -4.46 4.28 -4.52 0.57 8.00 -1.26 -4.89 116.55 114.27 1pyg n ASP 526 Ca 0.08 -2.27 -0.43 0.00 0.71 0.00 0.00 54.79 52.89 1pyg n ASP 526 Cb 0.38 -0.51 -0.07 0.00 -0.02 0.00 0.00 41.12 40.90 1pyg n ASP 526 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1pyg s ASP 527 N -0.99 6.33 0.24 -2.24 -1.08 0.17 -4.94 116.67 114.15 1pyg s ASP 527 Ca 0.47 -0.34 -0.06 0.00 -0.52 0.00 0.00 52.55 52.11 1pyg s ASP 527 Cb 0.28 -2.33 0.36 0.00 -1.46 0.00 0.00 42.92 39.77 1pyg s ASP 527 CO 0.26 -0.81 1.81 -0.33 0.52 0.00 0.00 175.17 176.63 1pyg h GLU 528 N 8.90 0.74 0.00 4.34 4.39 -1.91 -0.28 114.58 130.76 1pyg h GLU 528 Ca -0.25 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.36 1pyg h GLU 528 Cb 1.09 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1pyg h GLU 528 CO 0.91 0.49 -0.19 0.00 -1.16 0.00 0.00 179.01 179.06 1pyg h ALA 529 N 1.43 1.14 0.21 3.43 0.00 -1.96 0.16 119.26 123.67 1pyg h ALA 529 Ca 0.37 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1pyg h ALA 529 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1pyg h ALA 529 CO -0.23 0.24 -0.10 0.35 0.00 0.00 0.00 179.25 179.51 1pyg h PHE 530 N 0.00 -0.26 -1.00 0.00 3.57 -1.64 -1.03 116.94 116.59 1pyg h PHE 530 Ca -0.00 -0.01 0.38 0.00 3.53 0.00 0.00 57.97 61.87 1pyg h PHE 530 Cb 0.56 0.08 -0.17 0.00 2.79 0.00 0.00 35.95 39.21 1pyg h PHE 530 CO 0.00 -0.08 0.49 0.82 -2.23 0.00 0.00 178.31 177.31 1pyg h ILE 531 N -1.05 0.07 -0.07 1.41 2.04 -0.65 0.39 117.51 119.65 1pyg h ILE 531 Ca -0.03 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 1pyg h ILE 531 Cb 0.29 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1pyg h ILE 531 CO 0.05 0.01 -0.39 -0.09 0.00 0.00 0.00 178.15 177.73 1pyg h ARG 532 N 0.08 0.38 0.00 2.37 1.12 -0.70 -1.99 114.38 115.64 1pyg h ARG 532 Ca 0.80 -0.32 -0.07 0.00 -1.11 0.00 0.00 59.98 59.27 1pyg h ARG 532 Cb 2.01 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 32.03 1pyg h ARG 532 CO -0.74 0.97 -0.34 -0.44 -3.11 0.00 0.00 179.97 176.30 1pyg h ASP 533 N -0.11 0.00 0.15 -3.80 3.32 0.10 -1.09 116.42 115.00 1pyg h ASP 533 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1pyg h ASP 533 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1pyg h ASP 533 CO 0.08 0.34 -0.07 0.58 -1.72 0.00 0.00 179.24 178.45 1pyg h VAL 534 N 0.00 0.98 0.00 -1.35 2.07 -0.83 -0.95 116.25 116.17 1pyg h VAL 534 Ca -0.00 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.50 1pyg h VAL 534 Cb 0.83 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1pyg h VAL 534 CO 0.04 0.22 -0.03 0.00 0.02 0.00 0.00 177.57 177.83 1pyg h ALA 535 N -0.04 1.34 -0.14 1.67 0.00 -1.35 -1.57 119.26 119.17 1pyg h ALA 535 Ca -0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1pyg h ALA 535 Cb 0.52 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1pyg h ALA 535 CO 0.03 0.03 -0.17 -0.22 0.00 0.00 0.00 179.25 178.93 1pyg h LYS 536 N 0.00 0.36 -0.17 0.00 3.64 -0.83 -1.71 116.57 117.86 1pyg h LYS 536 Ca -0.00 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 1pyg h LYS 536 Cb 0.09 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1pyg h LYS 536 CO 0.00 0.77 0.03 0.28 -2.27 0.00 0.00 179.45 178.26 1pyg h VAL 537 N -0.03 0.93 -0.39 2.00 2.07 -0.22 0.87 116.25 121.48 1pyg h VAL 537 Ca 0.02 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1pyg h VAL 537 Cb 0.71 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1pyg h VAL 537 CO 0.04 0.02 0.23 0.50 0.02 0.00 0.00 177.57 178.37 1pyg h LYS 538 N 0.10 0.45 -0.01 1.57 1.63 -1.38 0.18 116.57 119.10 1pyg h LYS 538 Ca 0.07 -0.03 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 1pyg h LYS 538 Cb 0.07 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 1pyg h LYS 538 CO -0.10 0.30 -0.13 0.37 -3.45 0.00 0.00 179.45 176.44 1pyg h GLN 539 N 0.46 -0.20 -0.98 1.90 5.75 -0.81 0.16 115.11 121.40 1pyg h GLN 539 Ca 0.15 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 1pyg h GLN 539 Cb 0.01 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 1pyg h GLN 539 CO -0.07 -0.13 0.64 0.93 -2.65 0.00 0.00 178.83 177.54 1pyg h GLU 540 N -0.20 1.29 -0.50 1.69 5.08 -0.41 0.04 114.58 121.56 1pyg h GLU 540 Ca 0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1pyg h GLU 540 Cb 0.27 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1pyg h GLU 540 CO -0.14 0.86 0.12 -0.91 -1.00 0.00 0.00 179.01 177.94 1pyg h ASN 541 N 1.33 0.70 -0.17 1.42 -0.26 0.34 -2.14 115.58 116.79 1pyg h ASN 541 Ca 0.36 -0.12 -0.17 0.00 -0.56 0.00 0.00 56.30 55.81 1pyg h ASN 541 Cb -0.14 -0.18 0.01 0.00 -1.06 0.00 0.00 38.32 36.94 1pyg h ASN 541 CO -0.08 0.69 -0.55 0.11 -1.06 0.00 0.00 177.43 176.54 1pyg h LYS 542 N 0.73 0.68 -0.84 0.81 1.57 0.19 -2.78 116.57 116.93 1pyg h LYS 542 Ca 0.16 -0.50 0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1pyg h LYS 542 Cb 0.27 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.59 1pyg h LYS 542 CO -0.00 1.12 0.47 1.25 -0.57 0.00 0.00 179.45 181.72 1pyg h LEU 543 N 0.37 0.67 -0.50 2.94 5.85 -0.64 0.61 115.31 124.60 1pyg h LEU 543 Ca -0.02 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1pyg h LEU 543 Cb 1.18 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1pyg h LEU 543 CO 0.12 0.37 -0.67 0.50 -0.34 0.00 0.00 178.44 178.41 1pyg h LYS 544 N 0.78 0.35 -0.00 1.25 3.64 -1.33 -2.92 116.57 118.33 1pyg h LYS 544 Ca 0.41 -0.27 -0.16 0.00 -1.27 0.00 0.00 60.65 59.36 1pyg h LYS 544 Cb 0.41 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1pyg h LYS 544 CO -0.26 0.90 -0.75 0.35 -2.27 0.00 0.00 179.45 177.41 1pyg h PHE 545 N 0.25 0.06 -0.47 1.91 3.57 -0.99 -2.55 116.94 118.72 1pyg h PHE 545 Ca -0.02 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1pyg h PHE 545 Cb 1.22 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.91 1pyg h PHE 545 CO 0.04 0.78 0.22 0.00 -2.23 0.00 0.00 178.31 177.11 1pyg h ALA 546 N 1.22 0.59 -0.50 2.41 0.00 -0.79 -1.82 119.26 120.36 1pyg h ALA 546 Ca -0.01 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1pyg h ALA 546 Cb 1.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1pyg h ALA 546 CO 0.10 -0.15 0.20 0.00 0.00 0.00 0.00 179.25 179.40 1pyg h ALA 547 N 1.27 0.62 0.16 0.00 0.00 -1.28 -1.55 119.26 118.48 1pyg h ALA 547 Ca 0.21 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1pyg h ALA 547 Cb 0.15 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1pyg h ALA 547 CO -0.17 -0.19 -0.28 -0.92 0.00 0.00 0.00 179.25 177.70 1pyg h TYR 548 N 0.39 -0.74 0.00 0.00 5.03 -1.13 -0.56 116.97 119.96 1pyg h TYR 548 Ca 0.24 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.56 1pyg h TYR 548 Cb 0.23 0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.82 1pyg h TYR 548 CO -0.15 -0.38 0.00 1.28 -1.32 0.00 0.00 178.16 177.59 1pyg n LEU 549 N -5.39 0.00 0.00 2.82 4.77 -0.65 -0.97 117.00 117.58 1pyg n LEU 549 Ca -0.07 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1pyg n LEU 549 Cb 0.30 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1pyg n LEU 549 CO 0.26 -0.29 0.00 1.21 -1.33 0.00 0.00 177.39 177.24 1pyg n GLU 550 N -1.36 0.00 0.00 3.23 0.00 -0.82 -1.58 120.64 120.11 1pyg n GLU 550 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.27 1pyg n GLU 550 Cb 0.06 -0.48 0.00 0.00 0.00 0.00 0.00 31.44 31.01 1pyg n GLU 550 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1pyg n ARG 551 N -1.12 0.00 0.00 5.31 1.85 -0.25 0.40 116.66 122.84 1pyg n ARG 551 Ca 0.00 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.95 1pyg n ARG 551 Cb 0.00 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 29.87 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 -1.00 2.64 0.00 2.89 -0.58 -0.15 -5.01 120.64 119.44 1pyg n GLU 552 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1pyg n GLU 552 Cb 0.04 -0.22 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 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 0.00 0.00 0.00 -0.32 4.02 0.16 -4.99 117.16 116.04 1pyg n TYR 553 Ca 0.00 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 1pyg n TYR 553 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 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 -0.08 0.00 -2.44 -0.72 4.01 -0.42 -4.87 118.16 113.64 1pyg n LYS 554 Ca 0.00 0.00 -0.38 0.00 -0.51 0.00 0.00 58.31 57.42 1pyg n LYS 554 Cb 0.31 -2.69 -0.03 0.00 -0.51 0.00 0.00 35.03 32.11 1pyg n LYS 554 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1pyg s VAL 555 N -0.16 3.46 -0.25 -0.18 1.01 -1.23 -4.94 120.40 118.12 1pyg s VAL 555 Ca 0.00 1.24 -0.01 0.00 0.00 0.00 0.00 61.98 63.21 1pyg s VAL 555 Cb 0.00 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1pyg s VAL 555 CO 0.00 0.12 -0.07 -1.00 0.00 0.00 0.00 175.10 174.15 1pyg s HIS 556 N -1.45 3.09 0.35 5.22 3.76 -1.26 -4.22 115.29 120.77 1pyg s HIS 556 Ca 0.54 -1.70 -0.04 0.00 -0.15 0.00 0.00 55.06 53.71 1pyg s HIS 556 Cb -0.27 -2.03 -0.05 0.00 1.11 0.00 0.00 32.58 31.33 1pyg s HIS 556 CO 0.35 -0.76 0.62 0.96 -0.85 0.00 0.00 174.74 175.05 1pyg s ILE 557 N 1.28 5.00 -0.25 0.60 -4.36 -1.26 -5.06 121.20 117.15 1pyg s ILE 557 Ca -0.01 0.03 -0.07 0.00 -0.26 0.00 0.00 60.65 60.34 1pyg s ILE 557 Cb -0.17 -3.78 -0.03 0.00 1.25 0.00 0.00 42.46 39.73 1pyg s ILE 557 CO -0.05 -0.49 0.06 0.21 0.24 0.00 0.00 174.94 174.91 1pyg s ASN 558 N -3.52 5.04 0.00 4.36 2.47 -1.26 -4.99 114.94 117.04 1pyg s ASN 558 Ca 0.44 -0.23 0.05 0.00 0.42 0.00 0.00 52.86 53.55 1pyg s ASN 558 Cb -0.10 -1.90 0.30 0.00 -1.45 0.00 0.00 41.25 38.09 1pyg s ASN 558 CO 0.34 -0.03 0.89 -0.81 -3.72 0.00 0.00 177.10 173.77 1pyg n PRO 559 N 4.91 0.13 -0.22 0.43 -0.04 -1.26 -2.00 135.00 136.94 1pyg n PRO 559 Ca -0.16 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1pyg n PRO 559 Cb 0.51 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.13 3.19 -4.86 3.54 5.03 -1.26 -4.82 115.26 114.95 1pyg n ASN 560 Ca 0.03 -1.98 -0.31 0.00 0.87 0.00 0.00 54.58 53.18 1pyg n ASN 560 Cb 0.03 -0.29 -0.05 0.00 -1.02 0.00 0.00 39.78 38.45 1pyg n ASN 560 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1pyg s SER 561 N -1.01 6.66 -0.14 6.41 1.04 -0.85 -4.84 113.70 120.98 1pyg s SER 561 Ca 0.30 1.21 -0.29 0.00 0.48 0.00 0.00 55.95 57.65 1pyg s SER 561 Cb 0.16 -2.35 -0.01 0.00 0.10 0.00 0.00 66.02 63.91 1pyg s SER 561 CO 0.21 -0.29 1.18 -1.48 0.98 0.00 0.00 173.24 173.84 1pyg s LEU 562 N -3.35 4.20 -0.38 2.42 0.05 0.22 -4.66 118.68 117.17 1pyg s LEU 562 Ca 0.53 1.66 -0.29 0.00 0.05 0.00 0.00 54.13 56.08 1pyg s LEU 562 Cb -0.10 -3.55 -0.00 0.00 -2.05 0.00 0.00 46.19 40.49 1pyg s LEU 562 CO 0.23 -0.66 1.56 -0.36 -0.55 0.00 0.00 176.35 176.58 1pyg s PHE 563 N 2.91 2.17 -0.34 3.48 0.40 -1.26 -1.14 117.98 124.19 1pyg s PHE 563 Ca 0.52 0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 57.40 1pyg s PHE 563 Cb -0.21 -4.25 0.01 0.00 0.51 0.00 0.00 43.02 39.09 1pyg s PHE 563 CO 0.16 -2.36 0.18 0.34 0.70 0.00 0.00 175.22 174.24 1pyg s ASP 564 N 4.77 5.66 -0.12 1.36 -1.08 0.14 -0.28 116.67 127.12 1pyg s ASP 564 Ca 0.68 -0.76 0.03 0.00 -0.52 0.00 0.00 52.55 51.98 1pyg s ASP 564 Cb -0.17 -2.02 0.01 0.00 -1.46 0.00 0.00 42.92 39.28 1pyg s ASP 564 CO 0.33 -0.30 -0.21 -0.69 0.52 0.00 0.00 175.17 174.82 1pyg s VAL 565 N 1.59 1.95 -0.24 1.11 1.01 -0.69 -0.89 120.40 124.24 1pyg s VAL 565 Ca 0.03 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1pyg s VAL 565 Cb -0.18 -1.72 0.07 0.00 0.00 0.00 0.00 36.38 34.56 1pyg s VAL 565 CO 0.07 0.53 0.04 -1.58 0.00 0.00 0.00 175.10 174.16 1pyg s GLN 566 N 0.69 0.86 -0.47 2.72 0.74 -0.54 -1.04 119.66 122.62 1pyg s GLN 566 Ca -0.11 -0.77 0.03 0.00 0.05 0.00 0.00 55.36 54.56 1pyg s GLN 566 Cb -0.16 -2.16 0.13 0.00 1.10 0.00 0.00 33.01 31.92 1pyg s GLN 566 CO 0.02 -0.76 0.23 0.14 -0.55 0.00 0.00 175.29 174.37 1pyg s VAL 567 N 1.68 1.96 0.07 1.34 -7.23 -1.26 -0.65 120.40 116.32 1pyg s VAL 567 Ca 0.02 -2.85 0.02 0.00 -1.81 0.00 0.00 61.98 57.36 1pyg s VAL 567 Cb -0.17 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 1pyg s VAL 567 CO -0.14 -0.83 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.21 1pyg s LYS 568 N 0.13 0.70 0.27 4.82 -0.14 -0.87 -4.94 119.74 119.71 1pyg s LYS 568 Ca 0.17 -1.09 -0.30 0.00 -1.36 0.00 0.00 55.97 53.38 1pyg s LYS 568 Cb -0.25 -0.22 -0.11 0.00 -1.68 0.00 0.00 37.83 35.57 1pyg s LYS 568 CO -0.01 0.01 1.53 -0.98 -0.76 0.00 0.00 175.35 175.14 1pyg s ARG 569 N -2.92 4.19 -0.30 1.68 1.04 -1.26 -4.02 118.95 117.35 1pyg s ARG 569 Ca 0.03 2.46 -0.28 0.00 -1.04 0.00 0.00 55.73 56.89 1pyg s ARG 569 Cb -0.01 -3.06 -0.02 0.00 -2.04 0.00 0.00 34.95 29.81 1pyg s ARG 569 CO -0.03 -0.55 1.83 0.42 -0.04 0.00 0.00 175.30 176.94 1pyg s ILE 570 N 0.05 3.44 0.09 4.99 -1.09 -1.03 -4.88 121.20 122.78 1pyg s ILE 570 Ca 0.62 0.45 -0.17 0.00 -2.23 0.00 0.00 60.65 59.32 1pyg s ILE 570 Cb -0.45 -3.57 0.04 0.00 -1.58 0.00 0.00 42.46 36.89 1pyg s ILE 570 CO 0.45 -0.35 0.40 -2.28 -1.23 0.00 0.00 174.94 171.93 1pyg s HIS 571 N 6.87 -0.22 0.06 3.97 2.46 -1.26 -4.71 115.29 122.46 1pyg s HIS 571 Ca 0.82 0.01 -0.34 0.00 0.47 0.00 0.00 55.06 56.01 1pyg s HIS 571 Cb -0.24 0.24 -0.19 0.00 -0.13 0.00 0.00 32.58 32.26 1pyg s HIS 571 CO 0.34 -0.65 1.57 0.93 -2.47 0.00 0.00 174.74 174.45 1pyg h GLU 572 N 2.60 -1.02 0.00 2.88 5.08 -1.96 -3.17 114.58 118.99 1pyg h GLU 572 Ca -0.33 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1pyg h GLU 572 Cb 1.24 0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1pyg h GLU 572 CO 0.46 -0.67 0.23 0.10 -1.00 0.00 0.00 179.01 178.13 1pyg h TYR 573 N -1.08 0.00 0.00 4.33 -0.00 -1.97 -1.31 116.97 116.94 1pyg h TYR 573 Ca -0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.52 1pyg h TYR 573 Cb 0.81 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.53 1pyg h TYR 573 CO -0.01 0.00 -0.47 0.87 -0.00 0.00 0.00 178.16 178.55 1pyg h LYS 574 N 0.00 0.00 -5.93 0.10 1.79 -1.89 -2.91 116.57 107.73 1pyg h LYS 574 Ca 0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1pyg h LYS 574 Cb 0.47 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 31.23 1pyg h LYS 574 CO 0.00 0.47 -0.87 0.54 -1.08 0.00 0.00 179.45 178.51 1pyg n ARG 575 N -3.35 -3.00 0.20 3.15 1.74 -0.50 -3.80 116.66 111.11 1pyg n ARG 575 Ca 0.01 0.65 0.04 0.00 -0.77 0.00 0.00 57.85 57.78 1pyg n ARG 575 Cb 0.65 -5.04 0.42 0.00 -1.02 0.00 0.00 32.46 27.46 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 -1.65 0.00 -0.18 5.56 7.50 -1.83 -2.56 115.11 121.94 1pyg h GLN 576 Ca -0.63 0.00 0.05 0.00 0.50 0.00 0.00 58.65 58.58 1pyg h GLN 576 Cb 1.34 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.87 1pyg h GLN 576 CO 0.50 0.33 0.14 -0.07 -1.50 0.00 0.00 178.83 178.23 1pyg h LEU 577 N 0.00 0.00 -0.06 1.46 4.07 -1.90 0.90 115.31 119.78 1pyg h LEU 577 Ca -0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1pyg h LEU 577 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1pyg h LEU 577 CO 0.04 0.00 -0.22 0.25 -1.08 0.00 0.00 178.44 177.43 1pyg h LEU 578 N 0.00 0.30 -0.11 1.67 6.46 -1.84 -0.86 115.31 120.94 1pyg h LEU 578 Ca 0.09 -0.62 0.03 0.00 -0.12 0.00 0.00 57.88 57.25 1pyg h LEU 578 Cb 0.36 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.18 1pyg h LEU 578 CO -0.00 0.88 -0.06 -1.13 -0.62 0.00 0.00 178.44 177.50 1pyg h ASN 579 N -0.25 -0.21 -0.86 1.25 -0.00 -1.40 0.65 115.58 114.76 1pyg h ASN 579 Ca -0.01 0.05 0.16 0.00 -0.00 0.00 0.00 56.30 56.50 1pyg h ASN 579 Cb 0.86 0.11 -0.10 0.00 -0.00 0.00 0.00 38.32 39.19 1pyg h ASN 579 CO 0.05 -0.09 0.43 0.00 -0.00 0.00 0.00 177.43 177.82 1pyg h LEU 581 N 0.58 0.43 0.00 0.00 4.07 -0.23 -1.35 115.31 118.81 1pyg h LEU 581 Ca 0.48 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.32 1pyg h LEU 581 Cb 0.73 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1pyg h LEU 581 CO -0.39 0.62 -0.08 -0.74 -1.08 0.00 0.00 178.44 176.77 1pyg h HIS 582 N 0.41 0.00 0.10 1.13 -0.00 0.15 -0.88 115.15 116.06 1pyg h HIS 582 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 60.37 60.16 1pyg h HIS 582 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 1pyg h HIS 582 CO 0.02 0.00 -1.38 -0.39 -0.00 0.00 0.00 177.93 176.18 1pyg h VAL 583 N 0.00 1.32 -0.49 5.26 -1.51 -0.26 -2.44 116.25 118.12 1pyg h VAL 583 Ca 0.00 -2.96 -0.08 0.00 -1.23 0.00 0.00 66.70 62.43 1pyg h VAL 583 Cb 0.86 2.81 -0.02 0.00 -2.13 0.00 0.00 31.29 32.82 1pyg h VAL 583 CO 0.00 0.84 -0.02 0.40 -1.23 0.00 0.00 177.57 177.56 1pyg h ILE 584 N 0.06 1.26 -0.74 7.19 2.04 -1.27 -1.15 117.51 124.90 1pyg h ILE 584 Ca -0.18 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.60 1pyg h ILE 584 Cb 1.97 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 1pyg h ILE 584 CO 0.17 0.39 0.47 0.74 0.00 0.00 0.00 178.15 179.91 1pyg h THR 585 N 0.75 1.11 -0.69 -0.27 2.02 -1.14 0.10 112.91 114.79 1pyg h THR 585 Ca 0.14 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.94 1pyg h THR 585 Cb 0.54 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 1pyg h THR 585 CO 0.03 0.17 0.17 -0.07 0.37 0.00 0.00 175.52 176.19 1pyg h LEU 586 N 0.91 1.04 0.22 2.58 4.07 -1.20 0.05 115.31 122.97 1pyg h LEU 586 Ca 0.30 -0.23 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 1pyg h LEU 586 Cb 0.01 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 1pyg h LEU 586 CO -0.11 1.00 -0.17 0.22 -1.08 0.00 0.00 178.44 178.30 1pyg h TYR 587 N 1.03 -0.45 -0.42 1.13 3.20 -0.31 -0.74 116.97 120.41 1pyg h TYR 587 Ca 0.22 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1pyg h TYR 587 Cb 0.36 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1pyg h TYR 587 CO 0.03 -0.27 0.10 -0.91 -1.64 0.00 0.00 178.16 175.47 1pyg h ASN 588 N -0.40 0.57 0.04 -2.11 -0.26 -0.55 -0.63 115.58 112.23 1pyg h ASN 588 Ca -0.01 -0.08 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 1pyg h ASN 588 Cb 0.36 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 1pyg h ASN 588 CO -0.01 0.57 -0.02 0.03 -1.06 0.00 0.00 177.43 176.94 1pyg h ARG 589 N 0.60 -0.05 -0.41 0.81 -0.00 -0.77 -2.38 114.38 112.18 1pyg h ARG 589 Ca 0.14 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.64 1pyg h ARG 589 Cb 0.23 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.18 1pyg h ARG 589 CO -0.00 0.22 0.25 0.82 0.00 0.00 0.00 179.97 181.25 1pyg h ILE 590 N -0.31 1.05 -0.82 2.04 2.04 -0.45 -2.11 117.51 118.96 1pyg h ILE 590 Ca -0.01 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.76 1pyg h ILE 590 Cb 0.29 0.51 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 1pyg h ILE 590 CO 0.01 0.09 0.48 0.11 0.00 0.00 0.00 178.15 178.84 1pyg h LYS 591 N 0.50 0.81 -0.52 2.37 1.79 -1.15 -1.89 116.57 118.49 1pyg h LYS 591 Ca 0.16 -0.05 -0.10 0.00 -2.18 0.00 0.00 60.65 58.49 1pyg h LYS 591 Cb -0.01 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.44 1pyg h LYS 591 CO -0.07 0.54 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.57 1pyg h LYS 592 N 0.84 0.95 -2.21 3.15 3.64 -0.85 -3.35 116.57 118.73 1pyg h LYS 592 Ca 0.38 -0.33 -0.58 0.00 -1.27 0.00 0.00 60.65 58.85 1pyg h LYS 592 Cb 0.28 -0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 31.63 1pyg h LYS 592 CO -0.22 0.99 -0.89 0.39 -2.27 0.00 0.00 179.45 177.45 1pyg n GLU 593 N -4.25 1.26 0.00 1.90 1.02 -0.92 -4.98 120.64 114.67 1pyg n GLU 593 Ca 0.01 -3.75 0.00 0.00 -0.02 0.00 0.00 57.16 53.40 1pyg n GLU 593 Cb 0.36 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1pyg n GLU 593 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1pyg n PRO 594 N 1.52 0.00 0.00 3.49 -0.04 -0.73 -0.34 135.00 138.89 1pyg n PRO 594 Ca 0.25 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.72 1pyg n PRO 594 Cb 0.47 -1.34 0.01 0.00 -0.04 0.00 0.00 33.50 32.60 1pyg n PRO 594 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1pyg n ASN 595 N -0.83 1.17 -4.76 3.54 3.02 -1.26 -4.97 115.26 111.17 1pyg n ASN 595 Ca 0.00 -1.09 -0.39 0.00 -0.03 0.00 0.00 54.58 53.07 1pyg n ASN 595 Cb 0.00 0.03 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.24 4.70 0.25 3.52 2.20 0.54 -4.96 119.74 125.74 1pyg s LYS 596 Ca 0.03 1.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.91 1pyg s LYS 596 Cb 0.02 -3.13 -0.09 0.00 -1.51 0.00 0.00 37.83 33.12 1pyg s LYS 596 CO 0.03 0.34 1.23 0.12 -0.36 0.00 0.00 175.35 176.71 1pyg s PHE 597 N -1.27 3.33 0.11 4.03 5.36 -1.26 -5.02 117.98 123.26 1pyg s PHE 597 Ca 0.45 1.45 0.06 0.00 -0.96 0.00 0.00 56.93 57.93 1pyg s PHE 597 Cb -0.27 -3.50 -0.04 0.00 -0.34 0.00 0.00 43.02 38.88 1pyg s PHE 597 CO 0.33 -1.36 -0.16 0.14 -1.46 0.00 0.00 175.22 172.71 1pyg s VAL 598 N -0.60 1.41 -0.05 3.12 -7.23 -1.26 -5.12 120.40 110.68 1pyg s VAL 598 Ca 0.50 -1.63 -0.27 0.00 -1.81 0.00 0.00 61.98 58.77 1pyg s VAL 598 Cb -0.35 -1.48 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 1pyg s VAL 598 CO 0.42 -0.30 0.88 -0.69 -0.31 0.00 0.00 175.10 175.10 1pyg s VAL 599 N -1.79 4.92 0.40 1.32 1.01 -1.26 -5.02 120.40 119.98 1pyg s VAL 599 Ca 0.07 1.82 -0.27 0.00 0.00 0.00 0.00 61.98 63.61 1pyg s VAL 599 Cb -0.07 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1pyg s VAL 599 CO 0.04 0.16 1.36 -2.16 0.00 0.00 0.00 175.10 174.49 1pyg s PRO 600 N 1.17 3.99 0.01 2.72 0.04 -1.26 -4.92 135.00 136.75 1pyg s PRO 600 Ca 0.46 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.81 1pyg s PRO 600 Cb -0.19 -2.82 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 1pyg s PRO 600 CO 0.22 -0.52 -0.09 1.03 0.04 0.00 0.00 177.00 177.68 1pyg s ARG 601 N -2.19 0.66 -0.23 4.56 0.52 -0.62 -0.61 118.95 121.04 1pyg s ARG 601 Ca 0.56 -0.44 -0.03 0.00 -0.52 0.00 0.00 55.73 55.30 1pyg s ARG 601 Cb -0.41 -0.61 0.01 0.00 0.52 0.00 0.00 34.95 34.46 1pyg s ARG 601 CO 0.53 0.16 -0.06 0.99 0.02 0.00 0.00 175.30 176.94 1pyg s THR 602 N -0.49 3.11 -0.24 0.02 2.01 -0.29 -2.58 115.64 117.17 1pyg s THR 602 Ca 0.01 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 1pyg s THR 602 Cb -0.05 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.97 1pyg s THR 602 CO 0.00 0.36 0.06 -0.69 -0.69 0.00 0.00 174.62 173.66 1pyg s VAL 603 N 1.42 4.31 -0.14 3.82 1.01 -0.15 -0.68 120.40 129.97 1pyg s VAL 603 Ca 0.04 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1pyg s VAL 603 Cb -0.15 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.24 1pyg s VAL 603 CO -0.05 0.36 -0.21 -0.04 0.00 0.00 0.00 175.10 175.16 1pyg s MET 604 N 1.44 2.97 -0.07 2.72 -1.94 -0.06 -0.63 119.30 123.72 1pyg s MET 604 Ca 0.05 -0.83 0.03 0.00 -1.71 0.00 0.00 55.69 53.23 1pyg s MET 604 Cb -0.15 -2.43 0.01 0.00 2.01 0.00 0.00 34.83 34.28 1pyg s MET 604 CO 0.03 -0.05 -0.14 0.42 -0.01 0.00 0.00 175.02 175.27 1pyg s ILE 605 N 0.91 1.30 0.04 2.53 1.01 -0.97 -1.47 121.20 124.55 1pyg s ILE 605 Ca -0.05 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1pyg s ILE 605 Cb -0.15 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1pyg s ILE 605 CO -0.04 0.39 0.08 -0.83 0.00 0.00 0.00 174.94 174.54 1pyg s GLY 606 N 0.56 0.20 0.00 6.18 0.00 0.18 -1.98 107.32 112.45 1pyg s GLY 606 Ca -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1pyg s GLY 606 CO 0.04 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 173.04 1pyg n GLY 607 N 0.82 3.43 3.80 0.20 0.00 -1.26 -2.05 105.19 110.13 1pyg n GLY 607 Ca -0.19 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.13 3.24 -0.18 1.61 1.02 -1.26 -4.61 119.74 117.43 1pyg s LYS 608 Ca 0.00 -0.27 -0.09 0.00 0.02 0.00 0.00 55.97 55.63 1pyg s LYS 608 Cb 0.00 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.25 1pyg s LYS 608 CO 0.00 0.74 0.13 0.00 -0.92 0.00 0.00 175.35 175.29 1pyg s ALA 609 N -1.01 3.71 0.26 5.17 0.00 -1.26 -2.46 121.76 126.16 1pyg s ALA 609 Ca 0.16 -0.68 -0.31 0.00 0.00 0.00 0.00 51.96 51.12 1pyg s ALA 609 Cb -0.12 -2.10 -0.13 0.00 0.00 0.00 0.00 23.12 20.77 1pyg s ALA 609 CO 0.05 0.27 1.50 0.00 0.00 0.00 0.00 175.76 177.58 1pyg n ALA 610 N 3.17 1.73 -1.66 0.00 0.00 -1.26 -4.95 120.51 117.54 1pyg n ALA 610 Ca -0.17 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.27 1pyg n ALA 610 Cb 0.53 -2.36 0.03 0.00 0.00 0.00 0.00 19.45 17.65 1pyg n ALA 610 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1pyg n PRO 611 N 2.21 1.40 -0.29 0.00 -0.04 -1.26 -2.34 135.00 134.67 1pyg n PRO 611 Ca 0.11 0.51 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 1pyg n PRO 611 Cb 0.33 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.52 1pyg n PRO 611 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pyg n GLY 612 N 1.05 1.42 3.24 0.55 0.00 -1.26 -4.99 105.19 105.19 1pyg n GLY 612 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.93 3.37 0.06 1.61 5.04 -0.99 -4.96 117.35 118.56 1pyg s TYR 613 Ca 0.00 -1.69 -0.27 0.00 -2.44 0.00 0.00 57.07 52.67 1pyg s TYR 613 Cb 0.00 -2.91 -0.17 0.00 0.35 0.00 0.00 41.96 39.23 1pyg s TYR 613 CO 0.00 -0.86 1.58 1.25 -1.34 0.00 0.00 175.55 176.18 1pyg h HIS 614 N 8.32 -0.38 -0.90 4.97 -0.00 -1.94 -2.82 115.15 122.39 1pyg h HIS 614 Ca -0.21 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.26 1pyg h HIS 614 Cb 1.08 0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 28.55 1pyg h HIS 614 CO 0.60 -0.18 0.58 1.98 -0.00 0.00 0.00 177.93 180.92 1pyg h MET 615 N -0.50 0.84 -0.37 5.26 -1.53 -1.99 0.28 114.93 116.92 1pyg h MET 615 Ca -0.04 -0.05 -0.10 0.00 -3.44 0.00 0.00 59.70 56.07 1pyg h MET 615 Cb 0.38 -0.19 -0.02 0.00 -0.55 0.00 0.00 31.60 31.22 1pyg h MET 615 CO 0.07 0.56 -0.19 0.00 0.14 0.00 0.00 176.91 177.49 1pyg h ALA 616 N 1.56 0.98 0.00 0.39 0.00 -1.87 -0.21 119.26 120.11 1pyg h ALA 616 Ca 0.43 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1pyg h ALA 616 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pyg h ALA 616 CO -0.19 0.60 -0.41 0.87 0.00 0.00 0.00 179.25 180.12 1pyg h LYS 617 N 0.62 0.00 -0.30 0.00 1.57 -0.33 -2.20 116.57 115.93 1pyg h LYS 617 Ca 0.10 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 1pyg h LYS 617 Cb 0.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1pyg h LYS 617 CO 0.05 0.41 -0.47 0.52 -0.57 0.00 0.00 179.45 179.38 1pyg h MET 618 N 0.00 0.82 -0.93 3.15 2.86 -0.22 -2.22 114.93 118.38 1pyg h MET 618 Ca -0.00 -0.47 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 1pyg h MET 618 Cb 1.14 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.80 1pyg h MET 618 CO 0.05 1.11 0.56 0.82 1.06 0.00 0.00 176.91 180.51 1pyg h ILE 619 N 0.65 1.26 -0.13 -1.22 2.04 -0.69 0.15 117.51 119.56 1pyg h ILE 619 Ca 0.03 -0.57 -0.12 0.00 1.00 0.00 0.00 64.86 65.20 1pyg h ILE 619 Cb 1.06 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1pyg h ILE 619 CO 0.10 0.27 -0.47 0.40 0.00 0.00 0.00 178.15 178.46 1pyg h ILE 620 N 1.29 1.33 0.00 -0.67 2.04 -1.35 -0.83 117.51 119.31 1pyg h ILE 620 Ca 0.33 -1.67 -0.11 0.00 1.00 0.00 0.00 64.86 64.41 1pyg h ILE 620 Cb -0.05 1.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 1pyg h ILE 620 CO -0.06 0.50 -0.53 0.50 0.00 0.00 0.00 178.15 178.57 1pyg h LYS 621 N 0.26 0.00 -0.14 2.37 1.63 -0.74 -2.82 116.57 117.13 1pyg h LYS 621 Ca 0.02 0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.68 1pyg h LYS 621 Cb 0.93 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.56 1pyg h LYS 621 CO 0.08 0.53 -0.45 1.25 -3.45 0.00 0.00 179.45 177.41 1pyg h LEU 622 N 0.00 0.63 0.20 5.20 5.85 -0.07 -2.18 115.31 124.94 1pyg h LEU 622 Ca -0.01 -0.60 0.01 0.00 0.84 0.00 0.00 57.88 58.12 1pyg h LEU 622 Cb 0.96 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1pyg h LEU 622 CO 0.07 1.12 -0.32 0.40 -0.34 0.00 0.00 178.44 179.37 1pyg h ILE 623 N 0.16 0.33 0.00 4.05 2.04 -1.20 -1.59 117.51 121.30 1pyg h ILE 623 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1pyg h ILE 623 Cb 1.07 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1pyg h ILE 623 CO 0.09 0.00 -0.14 0.71 0.00 0.00 0.00 178.15 178.81 1pyg h THR 624 N -0.60 1.05 0.61 -0.27 1.35 -1.54 -1.60 112.91 111.91 1pyg h THR 624 Ca 0.01 -0.50 -0.03 0.00 -0.55 0.00 0.00 66.41 65.34 1pyg h THR 624 Cb 0.59 1.27 0.01 0.00 -1.73 0.00 0.00 68.15 68.29 1pyg h THR 624 CO -0.13 0.14 -0.29 0.00 -0.25 0.00 0.00 175.52 174.98 1pyg h ALA 625 N 1.86 -0.82 -0.93 6.62 0.00 -0.79 -0.68 119.26 124.52 1pyg h ALA 625 Ca -0.00 -0.20 0.21 0.00 0.00 0.00 0.00 54.91 54.91 1pyg h ALA 625 Cb 0.26 0.32 -0.12 0.00 0.00 0.00 0.00 17.79 18.26 1pyg h ALA 625 CO 0.02 -0.87 0.48 0.82 0.00 0.00 0.00 179.25 179.69 1pyg h ILE 626 N -1.00 0.57 -0.72 0.00 2.04 -1.04 -0.69 117.51 116.68 1pyg h ILE 626 Ca -0.08 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1pyg h ILE 626 Cb 0.68 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1pyg h ILE 626 CO 0.14 0.10 0.36 1.23 0.00 0.00 0.00 178.15 179.98 1pyg h GLY 627 N 0.54 1.09 1.06 5.37 0.00 -1.00 0.26 103.07 110.39 1pyg h GLY 627 Ca 0.56 -0.52 0.03 0.00 0.00 0.00 0.00 47.33 47.40 1pyg h GLY 627 CO -0.46 0.50 0.58 -0.55 0.00 0.00 0.00 176.54 176.61 1pyg h ASP 628 N 0.99 0.97 0.00 0.19 3.32 0.40 -1.18 116.42 121.11 1pyg h ASP 628 Ca 0.25 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.28 1pyg h ASP 628 Cb 0.08 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1pyg h ASP 628 CO -0.03 0.68 0.00 0.52 -1.72 0.00 0.00 179.24 178.68 1pyg n VAL 629 N -4.43 0.00 -0.39 -1.35 0.31 -0.89 -3.98 118.33 107.60 1pyg n VAL 629 Ca 0.11 0.33 -0.04 0.00 -0.01 0.00 0.00 64.34 64.73 1pyg n VAL 629 Cb 0.08 -0.68 -0.01 0.00 -0.91 0.00 0.00 33.84 32.31 1pyg n VAL 629 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1pyg n VAL 630 N -0.66 -0.58 0.20 2.52 0.31 0.88 -0.42 118.33 120.59 1pyg n VAL 630 Ca 0.00 2.35 0.03 0.00 -0.01 0.00 0.00 64.34 66.71 1pyg n VAL 630 Cb 0.00 -3.03 0.12 0.00 -0.91 0.00 0.00 33.84 30.02 1pyg n VAL 630 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1pyg n ASN 631 N -5.38 0.00 -0.10 4.52 3.02 -0.45 -1.81 115.26 115.05 1pyg n ASN 631 Ca 0.07 0.50 0.01 0.00 -0.03 0.00 0.00 54.58 55.13 1pyg n ASN 631 Cb 0.35 -0.50 0.02 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.50 0.06 -2.84 3.10 8.25 0.44 -4.98 115.22 117.75 1pyg n HIS 632 Ca 0.01 -0.38 -0.43 0.00 -0.26 0.00 0.00 57.72 56.66 1pyg n HIS 632 Cb 0.07 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 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 -0.80 6.42 0.54 0.41 2.15 -0.75 -4.97 116.67 119.67 1pyg s ASP 633 Ca 0.04 -0.10 0.26 0.00 0.43 0.00 0.00 52.55 53.18 1pyg s ASP 633 Cb 0.02 -2.44 1.43 0.00 -0.30 0.00 0.00 42.92 41.64 1pyg s ASP 633 CO 0.03 -1.11 1.99 1.55 -0.17 0.00 0.00 175.17 177.46 1pyg h PRO 634 N 9.17 0.00 0.00 4.34 0.13 -1.94 -0.93 132.00 142.77 1pyg h PRO 634 Ca -0.25 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.84 1pyg h PRO 634 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1pyg h PRO 634 CO 1.05 0.00 -0.17 -0.24 -0.23 0.00 0.00 178.00 178.40 1pyg h VAL 635 N 0.00 0.38 -0.18 1.56 3.04 -1.97 -2.85 116.25 116.22 1pyg h VAL 635 Ca 0.24 -1.10 -0.16 0.00 -1.01 0.00 0.00 66.70 64.67 1pyg h VAL 635 Cb 1.01 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 32.11 1pyg h VAL 635 CO -0.00 0.17 -0.57 0.58 -1.01 0.00 0.00 177.57 176.74 1pyg h VAL 636 N 0.00 1.32 -0.11 1.51 2.07 -1.52 -3.47 116.25 116.05 1pyg h VAL 636 Ca -0.00 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.70 1pyg h VAL 636 Cb 0.81 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1pyg h VAL 636 CO 0.02 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.79 1pyg n GLY 637 N 0.29 1.02 1.91 2.17 0.00 -1.08 -2.31 105.19 107.19 1pyg n GLY 637 Ca -0.03 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.06 5.59 0.02 1.61 5.75 -1.26 -4.23 116.55 120.97 1pyg n ASP 638 Ca 0.00 -3.15 0.11 0.00 -0.01 0.00 0.00 54.79 51.74 1pyg n ASP 638 Cb 0.00 -0.92 -0.03 0.00 -1.03 0.00 0.00 41.12 39.14 1pyg n ASP 638 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pyg n ARG 639 N -0.16 0.34 -3.63 0.11 1.74 -0.98 -4.81 116.66 109.27 1pyg n ARG 639 Ca 0.38 -0.03 -0.02 0.00 -0.77 0.00 0.00 57.85 57.41 1pyg n ARG 639 Cb 0.82 -1.59 -0.05 0.00 -1.02 0.00 0.00 32.46 30.63 1pyg n ARG 639 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1pyg s LEU 640 N -4.02 -1.07 -0.07 0.55 2.96 -1.26 -1.59 118.68 114.18 1pyg s LEU 640 Ca 0.02 1.50 0.01 0.00 -0.22 0.00 0.00 54.13 55.45 1pyg s LEU 640 Cb 0.14 2.27 0.02 0.00 0.50 0.00 0.00 46.19 49.12 1pyg s LEU 640 CO 0.83 -0.21 -0.10 -0.60 -1.32 0.00 0.00 176.35 174.95 1pyg s ARG 641 N 2.62 1.50 -0.18 1.98 6.06 -1.07 -4.47 118.95 125.40 1pyg s ARG 641 Ca -0.07 -0.32 -0.03 0.00 -2.50 0.00 0.00 55.73 52.82 1pyg s ARG 641 Cb -0.10 -1.35 -0.02 0.00 0.06 0.00 0.00 34.95 33.54 1pyg s ARG 641 CO -0.19 -0.06 -0.06 0.08 -2.50 0.00 0.00 175.30 172.57 1pyg s VAL 642 N 0.97 3.48 -0.13 7.11 1.01 -1.26 -0.98 120.40 130.59 1pyg s VAL 642 Ca -0.09 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1pyg s VAL 642 Cb -0.15 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.71 1pyg s VAL 642 CO 0.00 0.46 -0.19 -0.63 0.00 0.00 0.00 175.10 174.74 1pyg s ILE 643 N 0.88 1.86 -0.44 2.22 1.09 0.20 -4.68 121.20 122.33 1pyg s ILE 643 Ca -0.01 -0.85 -0.18 0.00 -1.10 0.00 0.00 60.65 58.50 1pyg s ILE 643 Cb -0.15 -1.66 0.03 0.00 -1.06 0.00 0.00 42.46 39.62 1pyg s ILE 643 CO 0.01 0.51 0.52 0.12 -0.10 0.00 0.00 174.94 176.00 1pyg s PHE 644 N 0.96 3.13 -0.35 3.97 5.36 -1.26 -2.28 117.98 127.50 1pyg s PHE 644 Ca -0.05 -0.33 -0.29 0.00 -0.96 0.00 0.00 56.93 55.31 1pyg s PHE 644 Cb -0.15 -3.12 -0.01 0.00 -0.34 0.00 0.00 43.02 39.41 1pyg s PHE 644 CO -0.03 -0.80 1.64 -0.51 -1.46 0.00 0.00 175.22 174.06 1pyg s LEU 645 N 2.38 3.56 0.37 6.12 1.43 -0.84 -4.96 118.68 126.75 1pyg s LEU 645 Ca 0.15 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.19 1pyg s LEU 645 Cb -0.17 -3.53 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 1pyg s LEU 645 CO 0.15 -1.57 0.90 -0.70 0.23 0.00 0.00 176.35 175.35 1pyg s GLU 646 N 5.31 4.27 -1.28 1.70 2.12 -1.26 -4.27 118.70 125.30 1pyg s GLU 646 Ca 0.72 1.08 -0.10 0.00 0.36 0.00 0.00 54.97 57.03 1pyg s GLU 646 Cb -0.19 -2.41 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 1pyg s GLU 646 CO 0.33 0.10 0.61 -1.71 -0.54 0.00 0.00 175.26 174.05 1pyg n ASN 647 N -0.24 -2.58 -4.68 -1.70 5.15 -1.26 -4.89 115.26 105.07 1pyg n ASN 647 Ca 0.05 -1.00 -0.46 0.00 -0.60 0.00 0.00 54.58 52.57 1pyg n ASN 647 Cb 0.53 -3.25 -0.04 0.00 -0.53 0.00 0.00 39.78 36.49 1pyg n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pyg n TYR 648 N -4.32 2.37 -3.98 1.20 9.36 -1.26 -4.89 117.16 115.64 1pyg n TYR 648 Ca -0.21 0.15 -0.10 0.00 3.32 0.00 0.00 57.90 61.06 1pyg n TYR 648 Cb 0.64 -2.60 -0.04 0.00 -0.63 0.00 0.00 39.34 36.72 1pyg n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 1pyg s ARG 649 N 1.68 1.76 0.16 2.98 1.70 -1.26 -4.86 118.95 121.11 1pyg s ARG 649 Ca 0.81 -1.39 -0.16 0.00 -0.47 0.00 0.00 55.73 54.52 1pyg s ARG 649 Cb -0.64 0.50 0.09 0.00 -0.57 0.00 0.00 34.95 34.33 1pyg s ARG 649 CO 0.40 -0.75 1.69 0.28 -1.08 0.00 0.00 175.30 175.83 1pyg h VAL 650 N 2.16 0.68 -0.15 4.99 2.07 -1.97 0.79 116.25 124.81 1pyg h VAL 650 Ca -0.27 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1pyg h VAL 650 Cb 1.25 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1pyg h VAL 650 CO 0.36 0.01 0.01 0.77 0.02 0.00 0.00 177.57 178.75 1pyg h SER 651 N 0.07 0.19 -0.13 0.57 4.64 -1.97 0.11 113.55 117.03 1pyg h SER 651 Ca 0.19 -0.02 -0.18 0.00 -0.47 0.00 0.00 61.79 61.31 1pyg h SER 651 Cb 0.27 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1pyg h SER 651 CO -0.34 0.22 -0.57 0.25 -0.87 0.00 0.00 176.83 175.53 1pyg h LEU 652 N 0.21 0.81 -0.60 5.97 5.85 -1.43 -3.12 115.31 123.01 1pyg h LEU 652 Ca 0.05 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1pyg h LEU 652 Cb 0.13 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 1pyg h LEU 652 CO 0.00 1.20 0.29 0.00 -0.34 0.00 0.00 178.44 179.59 1pyg h ALA 653 N 0.81 0.77 -0.22 1.25 0.00 0.50 0.47 119.26 122.84 1pyg h ALA 653 Ca 0.01 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1pyg h ALA 653 Cb 1.15 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1pyg h ALA 653 CO 0.12 0.33 0.21 0.93 0.00 0.00 0.00 179.25 180.84 1pyg h GLU 654 N 0.82 0.00 0.11 0.00 5.08 -0.80 -1.74 114.58 118.05 1pyg h GLU 654 Ca 0.21 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.22 1pyg h GLU 654 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1pyg h GLU 654 CO -0.03 0.00 -1.88 0.87 -1.00 0.00 0.00 179.01 176.97 1pyg h LYS 655 N 0.00 0.23 0.18 2.33 1.57 -0.89 -3.40 116.57 116.58 1pyg h LYS 655 Ca 0.10 -0.39 -0.33 0.00 -1.87 0.00 0.00 60.65 58.16 1pyg h LYS 655 Cb 0.52 0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.99 1pyg h LYS 655 CO -0.00 1.09 -1.64 -0.24 -0.57 0.00 0.00 179.45 178.08 1pyg h VAL 656 N 0.06 1.00 -0.15 0.50 3.04 -0.83 -3.38 116.25 116.49 1pyg h VAL 656 Ca -0.38 -2.51 0.02 0.00 -1.01 0.00 0.00 66.70 62.83 1pyg h VAL 656 Cb 2.04 2.80 -0.02 0.00 -2.01 0.00 0.00 31.29 34.09 1pyg h VAL 656 CO 0.10 0.82 0.01 0.40 -1.01 0.00 0.00 177.57 177.90 1pyg h ILE 657 N 0.03 0.91 0.00 3.17 2.04 -1.59 -1.66 117.51 120.41 1pyg h ILE 657 Ca -0.32 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1pyg h ILE 657 Cb 2.04 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 38.95 1pyg h ILE 657 CO 0.17 0.01 0.52 -0.65 0.00 0.00 0.00 178.15 178.20 1pyg h PRO 658 N 0.07 0.00 -0.12 2.37 0.11 -1.78 -2.29 132.00 130.35 1pyg h PRO 658 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1pyg h PRO 658 Cb 0.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1pyg h PRO 658 CO -0.11 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.68 1pyg n ALA 659 N -1.57 2.25 -1.76 -0.75 0.00 -0.65 -4.73 120.51 113.31 1pyg n ALA 659 Ca -0.01 -0.88 -0.39 0.00 0.00 0.00 0.00 53.44 52.16 1pyg n ALA 659 Cb 0.54 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.82 3.32 -0.26 0.00 0.00 -0.87 -4.69 121.76 118.44 1pyg s ALA 660 Ca 0.11 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.58 1pyg s ALA 660 Cb 0.06 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.85 1pyg s ALA 660 CO 0.09 0.17 -0.33 -0.25 0.00 0.00 0.00 175.76 175.44 1pyg n ASP 661 N 1.29 1.88 -4.27 0.00 8.00 0.62 -4.17 116.55 119.90 1pyg n ASP 661 Ca -0.01 0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1pyg n ASP 661 Cb 0.47 -0.73 -0.16 0.00 -0.02 0.00 0.00 41.12 40.68 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 -7.32 2.05 -0.28 0.64 2.96 -0.45 -1.48 118.68 114.80 1pyg s LEU 662 Ca -0.37 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.05 1pyg s LEU 662 Cb 0.14 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.62 1pyg s LEU 662 CO 0.48 0.29 0.06 -0.55 -1.32 0.00 0.00 176.35 175.31 1pyg s SER 663 N -0.57 5.04 -0.62 3.68 0.15 0.33 -1.70 113.70 120.01 1pyg s SER 663 Ca 0.09 -0.59 -0.28 0.00 0.70 0.00 0.00 55.95 55.87 1pyg s SER 663 Cb -0.09 -1.87 0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1pyg s SER 663 CO -0.01 -0.15 1.25 -1.61 1.20 0.00 0.00 173.24 173.92 1pyg s GLU 664 N 1.52 3.40 -0.58 5.44 0.41 -0.21 -0.96 118.70 127.72 1pyg s GLU 664 Ca 0.04 0.15 0.06 0.00 -0.41 0.00 0.00 54.97 54.81 1pyg s GLU 664 Cb -0.16 -4.07 0.31 0.00 -1.78 0.00 0.00 34.13 28.42 1pyg s GLU 664 CO 0.02 -1.84 0.85 1.04 -0.49 0.00 0.00 175.26 174.84 1pyg n GLN 665 N 8.71 2.74 -1.10 1.61 1.13 0.10 -4.74 117.38 125.84 1pyg n GLN 665 Ca 0.08 -4.64 -0.17 0.00 -1.94 0.00 0.00 57.00 50.33 1pyg n GLN 665 Cb 0.49 -2.17 0.17 0.00 0.11 0.00 0.00 30.24 28.85 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 0.24 2.95 -1.88 5.09 -5.35 -1.26 -2.36 119.36 116.79 1pyg n ILE 666 Ca 0.30 -2.44 -0.31 0.00 -0.27 0.00 0.00 62.75 60.02 1pyg n ILE 666 Cb 0.42 -0.49 0.01 0.00 -1.74 0.00 0.00 39.64 37.85 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 -1.95 6.00 0.19 7.28 0.01 -1.25 -4.67 113.70 119.32 1pyg s SER 667 Ca 0.52 1.54 -0.32 0.00 1.31 0.00 0.00 55.95 59.00 1pyg s SER 667 Cb 0.45 -2.49 -0.15 0.00 0.21 0.00 0.00 66.02 64.04 1pyg s SER 667 CO 0.05 -1.02 1.29 0.41 0.41 0.00 0.00 173.24 174.38 1pyg n THR 668 N -2.60 0.82 -1.90 1.44 -1.04 -1.10 -4.71 114.28 105.19 1pyg n THR 668 Ca 0.07 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.45 1pyg n THR 668 Cb 0.54 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 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 -0.05 3.72 0.00 2.41 0.00 -1.26 -1.17 121.76 125.40 1pyg s ALA 669 Ca 0.72 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.95 1pyg s ALA 669 Cb -0.77 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 18.66 1pyg s ALA 669 CO 0.50 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.63 1pyg n GLY 670 N 3.97 0.69 0.00 0.00 0.00 -1.26 -4.69 105.19 103.90 1pyg n GLY 670 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.25 1pyg n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pyg n THR 671 N -1.25 0.00 -3.79 2.61 -2.24 -0.32 -4.94 114.28 104.35 1pyg n THR 671 Ca 0.00 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 1pyg n THR 671 Cb 0.00 0.98 -0.13 0.00 -2.10 0.00 0.00 70.33 69.08 1pyg n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pyg s GLU 672 N -2.44 2.97 -0.00 -0.78 2.56 -1.26 -4.94 118.70 114.81 1pyg s GLU 672 Ca 0.05 -0.93 -0.22 0.00 0.00 0.00 0.00 54.97 53.87 1pyg s GLU 672 Cb 0.11 -3.33 -0.19 0.00 2.00 0.00 0.00 34.13 32.72 1pyg s GLU 672 CO 0.62 -0.47 1.20 0.00 -0.56 0.00 0.00 175.26 176.04 1pyg h ALA 673 N 8.20 0.11 -3.00 6.30 0.00 -1.87 -3.02 119.26 125.98 1pyg h ALA 673 Ca -0.30 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1pyg h ALA 673 Cb 1.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1pyg h ALA 673 CO 0.60 0.08 0.00 0.45 0.00 0.00 0.00 179.25 180.38 1pyg n SER 674 N -4.54 0.00 0.00 0.00 2.88 -1.26 -4.43 113.62 106.27 1pyg n SER 674 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1pyg n SER 674 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 1pyg n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pyg n GLY 675 N 0.00 0.77 0.19 0.46 0.00 -1.26 -1.15 105.19 104.20 1pyg n GLY 675 Ca 0.00 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.50 0.00 2.61 1.35 -1.96 -3.09 112.91 112.32 1pyg h THR 676 Ca 0.00 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.33 1pyg h THR 676 Cb 0.00 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1pyg h THR 676 CO 0.00 0.26 -0.03 1.23 -0.25 0.00 0.00 175.52 176.73 1pyg h GLY 677 N 3.20 0.00 0.91 5.82 0.00 -1.97 -1.22 103.07 109.81 1pyg h GLY 677 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1pyg h GLY 677 CO 0.04 0.00 -0.03 3.43 0.00 0.00 0.00 176.54 179.97 1pyg h ASN 678 N 0.00 -0.07 -0.05 0.19 4.21 -1.95 -2.64 115.58 115.27 1pyg h ASN 678 Ca -0.00 -0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.38 1pyg h ASN 678 Cb 0.07 0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 1pyg h ASN 678 CO 0.00 0.03 -0.09 0.24 -1.29 0.00 0.00 177.43 176.33 1pyg h MET 679 N -0.18 0.31 -0.26 0.81 2.86 -1.38 -1.46 114.93 115.64 1pyg h MET 679 Ca -0.01 -0.07 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 1pyg h MET 679 Cb 0.15 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.73 1pyg h MET 679 CO 0.01 0.42 0.01 0.87 1.06 0.00 0.00 176.91 179.29 1pyg h LYS 680 N 0.30 0.09 -0.61 1.72 1.57 -1.06 -2.25 116.57 116.33 1pyg h LYS 680 Ca 0.06 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1pyg h LYS 680 Cb 0.35 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1pyg h LYS 680 CO 0.02 0.06 0.15 0.74 -0.57 0.00 0.00 179.45 179.85 1pyg h PHE 681 N 0.09 0.98 -0.11 -1.35 0.04 -0.94 -2.79 116.94 112.86 1pyg h PHE 681 Ca 0.12 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 1pyg h PHE 681 Cb 0.15 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.01 1pyg h PHE 681 CO -0.19 0.81 -0.01 1.98 -0.60 0.00 0.00 178.31 180.30 1pyg h MET 682 N 0.91 0.20 -0.01 1.51 4.05 -1.03 -2.54 114.93 118.01 1pyg h MET 682 Ca 0.20 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.55 1pyg h MET 682 Cb 0.32 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.10 1pyg h MET 682 CO -0.00 0.47 0.01 1.25 0.23 0.00 0.00 176.91 178.86 1pyg h LEU 683 N -0.09 0.01 -3.38 3.39 6.46 -1.29 -2.73 115.31 117.68 1pyg h LEU 683 Ca 0.03 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 1pyg h LEU 683 Cb 0.38 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1pyg h LEU 683 CO 0.01 0.01 0.02 0.59 -0.62 0.00 0.00 178.44 178.45 1pyg n ASN 684 N -4.53 5.33 0.00 1.25 4.13 -0.99 -4.88 115.26 115.56 1pyg n ASN 684 Ca -0.03 -2.88 0.00 0.00 1.68 0.00 0.00 54.58 53.35 1pyg n ASN 684 Cb 0.09 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.65 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 0.52 0.77 3.80 7.41 0.00 -1.03 -4.74 105.19 111.92 1pyg n GLY 685 Ca 0.27 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 1pyg n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyg s ALA 686 N -2.00 3.56 0.22 4.61 0.00 -1.03 -4.78 121.76 122.34 1pyg s ALA 686 Ca 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 51.96 50.71 1pyg s ALA 686 Cb 0.00 -1.32 -0.03 0.00 0.00 0.00 0.00 23.12 21.76 1pyg s ALA 686 CO 0.00 0.41 0.30 -0.51 0.00 0.00 0.00 175.76 175.97 1pyg s LEU 687 N -3.36 4.20 -0.14 0.00 1.43 -0.55 -4.49 118.68 115.77 1pyg s LEU 687 Ca 0.31 0.02 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1pyg s LEU 687 Cb -0.09 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.36 1pyg s LEU 687 CO 0.24 -0.03 -0.11 -0.89 0.23 0.00 0.00 176.35 175.79 1pyg s THR 688 N -1.95 3.24 -0.25 5.49 2.01 -1.26 -0.51 115.64 122.41 1pyg s THR 688 Ca 0.34 -0.59 -0.09 0.00 0.31 0.00 0.00 61.69 61.66 1pyg s THR 688 Cb -0.09 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1pyg s THR 688 CO 0.28 0.51 0.12 -0.51 -0.69 0.00 0.00 174.62 174.33 1pyg s ILE 689 N 0.42 4.90 0.01 1.82 2.07 -0.13 -0.82 121.20 129.47 1pyg s ILE 689 Ca -0.08 0.02 -0.28 0.00 -1.41 0.00 0.00 60.65 58.90 1pyg s ILE 689 Cb -0.15 -3.29 0.10 0.00 0.13 0.00 0.00 42.46 39.24 1pyg s ILE 689 CO 0.04 0.33 0.89 -0.83 -1.91 0.00 0.00 174.94 173.47 1pyg s GLY 690 N 1.37 -0.44 0.70 1.50 0.00 0.38 -0.72 107.32 110.11 1pyg s GLY 690 Ca 0.06 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 45.57 1pyg s GLY 690 CO 0.06 0.30 1.07 -0.51 0.00 0.00 0.00 173.10 174.01 1pyg s THR 691 N -3.14 3.85 -1.16 0.90 -4.23 -1.00 -2.10 115.64 108.76 1pyg s THR 691 Ca 0.06 0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 61.04 1pyg s THR 691 Cb -0.01 -3.30 0.13 0.00 1.34 0.00 0.00 72.50 70.66 1pyg s THR 691 CO -0.08 -0.75 1.45 -0.32 -0.54 0.00 0.00 174.62 174.38 1pyg s MET 692 N -4.89 3.92 -0.06 3.99 1.75 -1.26 -4.71 119.30 118.04 1pyg s MET 692 Ca 0.59 -2.13 -0.25 0.00 -1.25 0.00 0.00 55.69 52.65 1pyg s MET 692 Cb -0.15 -5.18 0.05 0.00 2.84 0.00 0.00 34.83 32.40 1pyg s MET 692 CO 0.53 -1.93 0.56 0.34 -0.65 0.00 0.00 175.02 173.87 1pyg s ASP 693 N 3.54 -0.51 0.90 1.11 2.15 -1.26 -4.71 116.67 117.89 1pyg s ASP 693 Ca 0.44 0.58 0.00 0.00 0.43 0.00 0.00 52.55 53.99 1pyg s ASP 693 Cb -0.01 0.54 0.00 0.00 -0.30 0.00 0.00 42.92 43.15 1pyg s ASP 693 CO -0.01 -0.52 0.00 0.61 -0.17 0.00 0.00 175.17 175.08 1pyg n GLY 694 N 1.21 2.25 0.35 2.66 0.00 -1.14 -2.39 105.19 108.14 1pyg n GLY 694 Ca -0.19 -0.43 0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.90 1.70 0.00 4.61 0.00 -1.35 -2.17 119.26 121.14 1pyg h ALA 695 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1pyg h ALA 695 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1pyg h ALA 695 CO 0.00 -0.42 -0.19 -0.91 0.00 0.00 0.00 179.25 177.73 1pyg h ASN 696 N 0.00 0.00 0.30 0.00 2.35 -1.76 -1.29 115.58 115.17 1pyg h ASN 696 Ca 0.09 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1pyg h ASN 696 Cb 0.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1pyg h ASN 696 CO -0.00 0.19 -0.14 0.58 -1.65 0.00 0.00 177.43 176.41 1pyg h VAL 697 N 0.00 0.00 -0.02 2.81 2.07 -1.49 -0.80 116.25 118.81 1pyg h VAL 697 Ca -0.00 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1pyg h VAL 697 Cb 0.36 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1pyg h VAL 697 CO 0.02 0.00 0.10 -0.33 0.02 0.00 0.00 177.57 177.38 1pyg h GLU 698 N -0.55 0.00 0.00 1.57 5.08 -1.73 -0.26 114.58 118.68 1pyg h GLU 698 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1pyg h GLU 698 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1pyg h GLU 698 CO 0.07 0.00 -0.22 0.52 -1.00 0.00 0.00 179.01 178.37 1pyg h MET 699 N 0.00 0.15 -0.71 2.33 2.86 -1.15 -2.30 114.93 116.11 1pyg h MET 699 Ca 0.01 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1pyg h MET 699 Cb 0.21 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 1pyg h MET 699 CO -0.00 0.91 0.47 0.00 1.06 0.00 0.00 176.91 179.35 1pyg h ALA 700 N 0.25 1.53 -0.43 6.32 0.00 -0.23 0.10 119.26 126.80 1pyg h ALA 700 Ca -0.03 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1pyg h ALA 700 Cb 0.99 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1pyg h ALA 700 CO 0.04 0.42 -0.08 1.49 0.00 0.00 0.00 179.25 181.13 1pyg h GLU 701 N 0.93 0.74 0.20 0.00 4.81 -1.10 0.85 114.58 121.00 1pyg h GLU 701 Ca 0.27 -0.22 -0.32 0.00 -0.13 0.00 0.00 59.36 58.95 1pyg h GLU 701 Cb -0.05 -0.07 0.02 0.00 0.63 0.00 0.00 28.75 29.28 1pyg h GLU 701 CO -0.07 0.80 -1.51 1.49 -0.73 0.00 0.00 179.01 179.00 1pyg h GLU 702 N 0.68 0.42 0.00 1.92 4.57 -0.65 -3.35 114.58 118.16 1pyg h GLU 702 Ca 0.12 -0.71 0.00 0.00 -1.18 0.00 0.00 59.36 57.59 1pyg h GLU 702 Cb 0.53 0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1pyg h GLU 702 CO 0.03 1.33 -0.30 0.00 -1.18 0.00 0.00 179.01 178.88 1pyg h ALA 703 N 0.28 0.83 -1.08 2.92 0.00 -0.71 -3.47 119.26 118.04 1pyg h ALA 703 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1pyg h ALA 703 Cb 2.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.89 1pyg h ALA 703 CO 0.22 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1pyg n GLY 704 N 1.20 -1.82 0.28 0.00 0.00 0.29 -4.43 105.19 100.70 1pyg n GLY 704 Ca 0.03 -0.80 0.25 0.00 0.00 0.00 0.00 46.02 45.50 1pyg n GLY 704 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pyg n GLU 705 N 0.96 -0.03 0.26 1.61 2.13 -0.79 -0.20 120.64 124.58 1pyg n GLU 705 Ca 0.00 0.87 0.09 0.00 0.66 0.00 0.00 57.16 58.78 1pyg n GLU 705 Cb 0.00 -1.65 0.67 0.00 0.27 0.00 0.00 31.44 30.72 1pyg n GLU 705 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1pyg h GLU 706 N 0.00 0.00 -0.34 5.31 3.07 -1.89 -1.96 114.58 118.78 1pyg h GLU 706 Ca 0.58 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 1pyg h GLU 706 Cb 1.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.66 1pyg h GLU 706 CO -0.39 0.06 0.00 0.09 -1.40 0.00 0.00 179.01 177.38 1pyg n ASN 707 N -4.25 1.92 -4.32 1.42 3.02 0.72 -4.87 115.26 108.90 1pyg n ASN 707 Ca -0.03 -1.96 -0.26 0.00 -0.03 0.00 0.00 54.58 52.31 1pyg n ASN 707 Cb 0.15 -0.22 -0.13 0.00 -0.61 0.00 0.00 39.78 38.96 1pyg n ASN 707 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1pyg s PHE 708 N -1.55 1.97 -0.68 3.10 2.19 -0.74 -4.75 117.98 117.52 1pyg s PHE 708 Ca 0.26 -0.40 -0.07 0.00 0.33 0.00 0.00 56.93 57.04 1pyg s PHE 708 Cb 0.13 -1.08 0.18 0.00 -1.31 0.00 0.00 43.02 40.94 1pyg s PHE 708 CO 0.18 0.23 0.54 -0.06 1.83 0.00 0.00 175.22 177.95 1pyg s PHE 709 N -1.09 3.53 -0.09 10.12 0.40 0.00 -4.98 117.98 125.87 1pyg s PHE 709 Ca 0.09 -2.40 -0.20 0.00 -0.60 0.00 0.00 56.93 53.82 1pyg s PHE 709 Cb -0.10 -3.43 -0.04 0.00 0.51 0.00 0.00 43.02 39.95 1pyg s PHE 709 CO 0.04 -0.90 0.54 0.42 0.70 0.00 0.00 175.22 176.02 1pyg s ILE 710 N 0.14 5.13 0.14 0.64 -1.09 -1.25 -0.47 121.20 124.44 1pyg s ILE 710 Ca 0.16 1.10 0.01 0.00 -2.23 0.00 0.00 60.65 59.70 1pyg s ILE 710 Cb -0.17 -3.88 -0.01 0.00 -1.58 0.00 0.00 42.46 36.82 1pyg s ILE 710 CO -0.05 0.32 0.05 2.22 -1.23 0.00 0.00 174.94 176.25 1pyg n PHE 711 N 3.58 0.04 -3.49 3.97 -1.74 -0.89 -4.93 117.46 114.00 1pyg n PHE 711 Ca -0.06 -0.91 0.08 0.00 -0.56 0.00 0.00 57.45 56.00 1pyg n PHE 711 Cb 0.51 -0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.50 1pyg n PHE 711 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1pyg n GLY 712 N 1.23 -1.37 3.61 4.97 0.00 -1.26 -4.40 105.19 107.96 1pyg n GLY 712 Ca -0.02 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.89 0.31 0.35 1.61 -1.94 -1.26 -4.92 119.30 112.56 1pyg s MET 713 Ca 0.00 1.35 0.08 0.00 -1.71 0.00 0.00 55.69 55.42 1pyg s MET 713 Cb 0.00 -1.66 -0.05 0.00 2.01 0.00 0.00 34.83 35.13 1pyg s MET 713 CO 0.00 -3.05 0.07 1.03 -0.01 0.00 0.00 175.02 173.06 1pyg s ARG 714 N -4.57 2.17 0.32 2.03 1.81 -1.26 -4.51 118.95 114.94 1pyg s ARG 714 Ca 0.68 -1.72 0.09 0.00 -1.72 0.00 0.00 55.73 53.05 1pyg s ARG 714 Cb -0.24 -1.99 0.95 0.00 -0.45 0.00 0.00 34.95 33.22 1pyg s ARG 714 CO 0.60 0.09 1.62 0.28 -0.68 0.00 0.00 175.30 177.21 1pyg h VAL 715 N 1.69 0.18 -0.29 3.52 2.07 -1.84 0.24 116.25 121.82 1pyg h VAL 715 Ca -0.43 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 1pyg h VAL 715 Cb 1.25 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1pyg h VAL 715 CO 0.67 0.03 -0.28 -0.33 0.02 0.00 0.00 177.57 177.68 1pyg h GLU 716 N 0.15 0.59 -0.16 1.57 3.07 -1.96 -2.25 114.58 115.59 1pyg h GLU 716 Ca 0.67 -0.24 -0.16 0.00 -0.50 0.00 0.00 59.36 59.12 1pyg h GLU 716 Cb 1.52 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 1pyg h GLU 716 CO -0.73 0.81 -0.58 -0.44 -1.40 0.00 0.00 179.01 176.68 1pyg h ASP 717 N 0.51 0.57 0.44 1.42 3.32 -0.93 -1.36 116.42 120.40 1pyg h ASP 717 Ca 0.07 -0.32 -0.24 0.00 0.02 0.00 0.00 57.03 56.57 1pyg h ASP 717 Cb 0.74 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1pyg h ASP 717 CO 0.06 1.02 -1.02 1.62 -1.72 0.00 0.00 179.24 179.20 1pyg h VAL 718 N 0.39 1.43 -0.28 -1.35 3.04 -0.96 -0.18 116.25 118.34 1pyg h VAL 718 Ca 0.00 -2.63 -0.06 0.00 -1.01 0.00 0.00 66.70 63.00 1pyg h VAL 718 Cb 1.12 2.57 -0.02 0.00 -2.01 0.00 0.00 31.29 32.95 1pyg h VAL 718 CO 0.11 0.78 -0.10 0.44 -1.01 0.00 0.00 177.57 177.79 1pyg h ASP 719 N 0.18 0.44 0.16 3.17 3.32 -1.34 0.19 116.42 122.54 1pyg h ASP 719 Ca -0.09 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1pyg h ASP 719 Cb 1.68 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.11 1pyg h ASP 719 CO 0.17 0.58 -0.08 -0.09 -1.72 0.00 0.00 179.24 178.10 1pyg h ARG 720 N 0.43 -0.21 -0.77 3.56 2.43 -0.71 -2.13 114.38 116.98 1pyg h ARG 720 Ca 0.08 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.38 1pyg h ARG 720 Cb 0.44 0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.98 1pyg h ARG 720 CO 0.02 0.01 0.51 1.25 -1.51 0.00 0.00 179.97 180.25 1pyg h LEU 721 N -0.41 0.59 -0.64 3.80 5.85 -0.51 -0.83 115.31 123.17 1pyg h LEU 721 Ca -0.02 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1pyg h LEU 721 Cb 0.32 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1pyg h LEU 721 CO 0.04 0.35 -0.50 0.44 -0.34 0.00 0.00 178.44 178.42 1pyg h ASP 722 N 0.65 0.51 -0.34 1.25 3.32 -0.61 0.36 116.42 121.56 1pyg h ASP 722 Ca 0.36 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 57.02 1pyg h ASP 722 Cb 0.53 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1pyg h ASP 722 CO -0.14 0.92 -0.30 1.56 -1.72 0.00 0.00 179.24 179.56 1pyg h GLN 723 N 0.37 0.86 -0.00 3.56 4.20 -0.51 -3.03 115.11 120.56 1pyg h GLN 723 Ca 0.02 -0.40 -0.18 0.00 0.06 0.00 0.00 58.65 58.15 1pyg h GLN 723 Cb 1.01 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 1pyg h GLN 723 CO 0.09 1.04 -0.81 0.07 -0.67 0.00 0.00 178.83 178.55 1pyg h ARG 724 N 0.73 0.09 0.00 1.46 -0.00 -1.18 -3.50 114.38 111.98 1pyg h ARG 724 Ca 0.08 -0.09 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1pyg h ARG 724 Cb 0.86 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.86 1pyg h ARG 724 CO 0.08 0.85 0.00 0.41 -0.00 0.00 0.00 179.97 181.31 1pyg n GLY 725 N 0.76 3.70 3.66 0.08 0.00 0.10 -4.99 105.19 108.50 1pyg n GLY 725 Ca -0.02 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.05 3.34 -0.39 1.61 5.04 -1.22 -4.77 117.35 120.91 1pyg s TYR 726 Ca 0.00 1.36 0.03 0.00 -2.44 0.00 0.00 57.07 56.02 1pyg s TYR 726 Cb 0.00 -3.19 0.11 0.00 0.35 0.00 0.00 41.96 39.23 1pyg s TYR 726 CO 0.00 -0.43 0.12 1.21 -1.34 0.00 0.00 175.55 175.11 1pyg s ASN 727 N 1.24 4.76 0.55 4.32 3.84 -1.26 -4.96 114.94 123.43 1pyg s ASN 727 Ca 0.41 -2.33 0.30 0.00 0.21 0.00 0.00 52.86 51.45 1pyg s ASN 727 Cb -0.15 -1.66 1.47 0.00 -0.55 0.00 0.00 41.25 40.35 1pyg s ASN 727 CO 0.07 -0.37 1.89 0.00 -2.79 0.00 0.00 177.10 175.90 1pyg h ALA 728 N 7.43 2.63 -0.46 1.71 0.00 -1.91 -1.51 119.26 127.15 1pyg h ALA 728 Ca -0.06 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1pyg h ALA 728 Cb 1.00 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1pyg h ALA 728 CO 0.58 -0.97 0.22 0.37 0.00 0.00 0.00 179.25 179.45 1pyg h GLN 729 N 0.00 0.43 -0.75 0.00 5.75 -1.93 -2.70 115.11 115.90 1pyg h GLN 729 Ca 0.35 -0.03 0.17 0.00 -0.15 0.00 0.00 58.65 59.00 1pyg h GLN 729 Cb 1.52 -0.10 -0.12 0.00 1.07 0.00 0.00 27.48 29.86 1pyg h GLN 729 CO -0.00 0.28 0.13 0.93 -2.65 0.00 0.00 178.83 177.52 1pyg h GLU 730 N 0.44 0.20 -0.24 1.69 5.08 -1.70 0.13 114.58 120.18 1pyg h GLU 730 Ca 0.20 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.52 1pyg h GLU 730 Cb 0.13 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1pyg h GLU 730 CO -0.15 0.13 0.03 1.88 -1.00 0.00 0.00 179.01 179.90 1pyg h TYR 731 N 0.20 0.42 -0.65 4.33 0.05 -1.66 -2.41 116.97 117.26 1pyg h TYR 731 Ca 0.43 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 59.11 1pyg h TYR 731 Cb 0.76 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1pyg h TYR 731 CO -0.31 0.53 0.24 -0.92 -1.05 0.00 0.00 178.16 176.64 1pyg h TYR 732 N 0.20 1.02 -0.46 4.88 5.03 -0.66 0.20 116.97 127.18 1pyg h TYR 732 Ca 0.07 -0.09 -0.07 0.00 2.58 0.00 0.00 58.73 61.23 1pyg h TYR 732 Cb 0.33 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.29 1pyg h TYR 732 CO 0.02 0.81 0.02 -0.44 -1.32 0.00 0.00 178.16 177.25 1pyg h ASP 733 N 0.93 0.71 0.32 -2.11 3.32 -0.81 -2.65 116.42 116.12 1pyg h ASP 733 Ca 0.22 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1pyg h ASP 733 Cb 0.24 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1pyg h ASP 733 CO -0.01 0.77 -0.47 -2.11 -1.72 0.00 0.00 179.24 175.70 1pyg n ARG 734 N -4.23 0.38 -3.76 3.56 1.85 -0.83 -4.74 116.66 108.89 1pyg n ARG 734 Ca 0.02 -0.24 -0.36 0.00 -1.00 0.00 0.00 57.85 56.27 1pyg n ARG 734 Cb 0.28 -1.49 -0.11 0.00 -1.05 0.00 0.00 32.46 30.09 1pyg n ARG 734 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1pyg s ILE 735 N -2.79 3.42 0.16 8.89 1.01 0.63 -4.99 121.20 127.53 1pyg s ILE 735 Ca 0.16 -2.53 -0.21 0.00 0.00 0.00 0.00 60.65 58.08 1pyg s ILE 735 Cb 0.18 -3.30 0.05 0.00 0.01 0.00 0.00 42.46 39.40 1pyg s ILE 735 CO 0.65 -0.78 1.27 -2.65 0.00 0.00 0.00 174.94 173.43 1pyg n PRO 736 N 4.02 -0.29 0.22 2.79 -0.02 -1.26 -1.38 135.00 139.08 1pyg n PRO 736 Ca 0.03 1.25 0.07 0.00 -2.02 0.00 0.00 63.50 62.83 1pyg n PRO 736 Cb 0.39 -1.85 0.53 0.00 -0.02 0.00 0.00 33.50 32.55 1pyg n PRO 736 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pyg h GLU 737 N 0.00 0.00 -0.15 -0.52 5.08 -1.95 -1.44 114.58 115.61 1pyg h GLU 737 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 1pyg h GLU 737 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1pyg h GLU 737 CO -0.79 0.23 -0.03 1.25 -1.00 0.00 0.00 179.01 178.67 1pyg h LEU 738 N 0.00 0.28 -0.87 1.33 5.85 -1.58 -1.76 115.31 118.56 1pyg h LEU 738 Ca -0.00 -0.36 0.15 0.00 0.84 0.00 0.00 57.88 58.51 1pyg h LEU 738 Cb 0.47 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1pyg h LEU 738 CO 0.03 0.57 0.46 0.03 -0.34 0.00 0.00 178.44 179.19 1pyg h ARG 739 N -0.02 0.62 -0.71 1.25 3.08 -0.35 0.22 114.38 118.47 1pyg h ARG 739 Ca 0.04 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1pyg h ARG 739 Cb 0.45 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1pyg h ARG 739 CO 0.01 0.41 0.26 0.37 -1.07 0.00 0.00 179.97 179.95 1pyg h GLN 740 N 0.64 1.08 0.34 0.04 4.15 -1.19 -2.04 115.11 118.14 1pyg h GLN 740 Ca 0.47 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.66 1pyg h GLN 740 Cb 0.67 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.20 1pyg h GLN 740 CO -0.36 0.91 -0.17 0.82 -1.93 0.00 0.00 178.83 178.10 1pyg h ILE 741 N 1.03 0.63 -0.80 2.39 2.04 0.30 -1.65 117.51 121.45 1pyg h ILE 741 Ca 0.23 -0.54 0.11 0.00 1.00 0.00 0.00 64.86 65.66 1pyg h ILE 741 Cb 0.25 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 1pyg h ILE 741 CO -0.01 0.10 0.52 0.40 0.00 0.00 0.00 178.15 179.16 1pyg h ILE 742 N -0.79 0.91 -0.24 -0.67 1.08 -1.24 0.27 117.51 116.84 1pyg h ILE 742 Ca -0.05 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.22 1pyg h ILE 742 Cb 0.52 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.39 1pyg h ILE 742 CO 0.08 0.13 0.02 -0.33 -0.69 0.00 0.00 178.15 177.35 1pyg h GLU 743 N 0.69 0.10 -0.84 2.37 5.08 -1.21 -1.52 114.58 119.25 1pyg h GLU 743 Ca 0.38 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 1pyg h GLU 743 Cb 0.53 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1pyg h GLU 743 CO -0.15 0.06 0.42 1.96 -1.00 0.00 0.00 179.01 180.30 1pyg h GLN 744 N 0.10 1.20 -0.29 2.33 4.20 0.49 -0.66 115.11 122.47 1pyg h GLN 744 Ca 0.11 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.50 1pyg h GLN 744 Cb 0.13 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 1pyg h GLN 744 CO -0.17 0.91 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.40 1pyg h LEU 745 N 1.19 0.88 -1.10 1.46 3.38 -0.84 -2.44 115.31 117.85 1pyg h LEU 745 Ca 0.29 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1pyg h LEU 745 Cb 0.10 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1pyg h LEU 745 CO -0.04 1.22 -0.21 0.28 0.09 0.00 0.00 178.44 179.78 1pyg h SER 746 N 0.57 0.38 -0.03 -0.43 0.02 -1.07 -3.27 113.55 109.71 1pyg h SER 746 Ca 0.03 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1pyg h SER 746 Cb 1.02 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1pyg h SER 746 CO 0.10 0.60 0.00 -1.54 -1.14 0.00 0.00 176.83 174.85 1pyg n SER 747 N -4.17 0.54 -0.41 3.07 3.41 -0.28 -4.65 113.62 111.14 1pyg n SER 747 Ca -0.00 -2.01 -0.05 0.00 -0.26 0.00 0.00 58.87 56.54 1pyg n SER 747 Cb 0.36 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 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 0.37 0.67 0.11 5.00 0.00 -1.09 -4.90 105.19 105.36 1pyg n GLY 748 Ca 0.01 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 0.26 -0.37 1.61 3.57 -1.70 -1.06 116.94 119.25 1pyg h PHE 749 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1pyg h PHE 749 Cb 0.72 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1pyg h PHE 749 CO 0.39 0.17 0.00 1.19 -2.23 0.00 0.00 178.31 177.83 1pyg n PHE 750 N -4.94 0.48 -2.68 0.41 3.72 -1.26 -4.21 117.46 108.98 1pyg n PHE 750 Ca -0.03 -0.24 -0.08 0.00 -0.05 0.00 0.00 57.45 57.05 1pyg n PHE 750 Cb 0.03 0.00 0.06 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 0.69 0.46 -0.28 4.37 3.41 -0.84 -4.60 113.62 116.83 1pyg n SER 751 Ca 0.15 -2.58 -0.03 0.00 -0.26 0.00 0.00 58.87 56.15 1pyg n SER 751 Cb 0.37 -0.07 0.02 0.00 -0.26 0.00 0.00 64.21 64.26 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 2.64 -0.09 -0.84 4.33 0.13 -1.39 0.60 132.00 137.39 1pyg h PRO 752 Ca -0.16 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.97 1pyg h PRO 752 Cb 1.22 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 1pyg h PRO 752 CO 0.30 -0.06 0.52 1.57 -0.23 0.00 0.00 178.00 180.10 1pyg h LYS 753 N -0.09 1.13 -3.78 0.86 -0.00 -1.97 -3.29 116.57 109.43 1pyg h LYS 753 Ca 0.28 -0.10 -0.69 0.00 -0.00 0.00 0.00 60.65 60.15 1pyg h LYS 753 Cb 0.57 -0.24 -0.36 0.00 -0.00 0.00 0.00 32.23 32.20 1pyg h LYS 753 CO -0.82 0.79 -0.44 -0.65 -0.00 0.00 0.00 179.45 178.32 1pyg s GLN 754 N -6.01 2.36 0.30 0.07 -0.21 0.20 -4.98 119.66 111.39 1pyg s GLN 754 Ca -0.13 -2.38 0.01 0.00 0.02 0.00 0.00 55.36 52.88 1pyg s GLN 754 Cb 0.16 -3.64 0.53 0.00 1.00 0.00 0.00 33.01 31.06 1pyg s GLN 754 CO 0.80 -1.14 1.90 -1.35 -2.12 0.00 0.00 175.29 173.38 1pyg h PRO 755 N 7.19 1.00 -0.50 2.91 0.11 -1.62 -2.64 132.00 138.45 1pyg h PRO 755 Ca -0.05 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1pyg h PRO 755 Cb 0.97 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1pyg h PRO 755 CO 0.70 0.66 0.00 -0.40 -0.21 0.00 0.00 178.00 178.75 1pyg n ASP 756 N -4.51 2.65 -0.20 -2.05 5.75 -1.26 -2.68 116.55 114.26 1pyg n ASP 756 Ca 0.15 -2.04 -0.02 0.00 -0.01 0.00 0.00 54.79 52.87 1pyg n ASP 756 Cb 0.23 -0.34 0.05 0.00 -1.03 0.00 0.00 41.12 40.03 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 2.76 -0.59 -2.65 -2.12 5.85 -1.81 -2.64 115.31 114.10 1pyg h LEU 757 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1pyg h LEU 757 Cb 0.70 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1pyg h LEU 757 CO 0.02 -0.21 0.00 0.49 -0.34 0.00 0.00 178.44 178.41 1pyg n PHE 758 N -5.42 1.21 0.32 1.25 3.72 -1.26 -4.29 117.46 112.99 1pyg n PHE 758 Ca 0.07 -0.50 0.16 0.00 -0.05 0.00 0.00 57.45 57.13 1pyg n PHE 758 Cb 0.31 -0.18 0.62 0.00 -0.94 0.00 0.00 39.48 39.29 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 3.56 0.00 -0.22 -1.08 1.57 -1.75 -1.70 116.57 116.95 1pyg h LYS 759 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 1pyg h LYS 759 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1pyg h LYS 759 CO 0.17 0.00 -0.61 -0.44 -0.57 0.00 0.00 179.45 178.00 1pyg h ASP 760 N 0.00 0.85 1.27 0.86 3.32 -1.81 -1.16 116.42 119.75 1pyg h ASP 760 Ca 0.00 -0.48 -0.14 0.00 0.02 0.00 0.00 57.03 56.42 1pyg h ASP 760 Cb 0.49 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1pyg h ASP 760 CO 0.00 1.26 -0.74 0.16 -1.72 0.00 0.00 179.24 178.20 1pyg h ILE 761 N 0.56 1.09 0.20 0.35 3.07 -1.79 -2.71 117.51 118.28 1pyg h ILE 761 Ca -0.00 -2.57 -0.01 0.00 1.55 0.00 0.00 64.86 63.82 1pyg h ILE 761 Cb 1.20 2.52 0.00 0.00 -0.27 0.00 0.00 36.82 40.28 1pyg h ILE 761 CO 0.13 0.62 -0.10 0.58 -1.05 0.00 0.00 178.15 178.33 1pyg h VAL 762 N 0.00 0.83 -0.03 0.16 2.07 -1.08 -0.16 116.25 118.04 1pyg h VAL 762 Ca -0.02 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.34 1pyg h VAL 762 Cb 1.53 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1pyg h VAL 762 CO 0.08 0.04 0.03 -1.13 0.02 0.00 0.00 177.57 176.61 1pyg h ASN 763 N -0.36 0.00 0.29 0.57 -0.73 -1.23 -0.66 115.58 113.47 1pyg h ASN 763 Ca -0.03 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1pyg h ASN 763 Cb 0.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.87 1pyg h ASN 763 CO 0.05 0.00 -0.14 -0.03 -0.37 0.00 0.00 177.43 176.94 1pyg h MET 764 N 0.00 -0.38 -0.65 6.67 4.05 -1.03 0.34 114.93 123.94 1pyg h MET 764 Ca 0.02 0.03 0.13 0.00 -0.28 0.00 0.00 59.70 59.59 1pyg h MET 764 Cb 0.07 0.09 -0.12 0.00 -0.80 0.00 0.00 31.60 30.83 1pyg h MET 764 CO -0.00 -0.05 -0.12 -0.07 0.23 0.00 0.00 176.91 176.90 1pyg h LEU 765 N -0.94 -0.53 -0.45 3.39 3.38 -0.64 0.32 115.31 119.84 1pyg h LEU 765 Ca -0.04 0.19 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1pyg h LEU 765 Cb 0.50 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1pyg h LEU 765 CO 0.07 -0.20 -0.78 0.24 0.09 0.00 0.00 178.44 177.86 1pyg h MET 766 N 0.02 0.04 0.00 1.13 2.86 -1.17 -3.37 114.93 114.44 1pyg h MET 766 Ca 0.32 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 1pyg h MET 766 Cb 0.50 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1pyg h MET 766 CO -0.65 0.79 -0.09 0.72 1.06 0.00 0.00 176.91 178.75 1pyg n HIS 767 N -3.64 0.00 -2.75 -0.22 8.25 0.11 -4.48 115.22 112.49 1pyg n HIS 767 Ca -0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1pyg n HIS 767 Cb 0.75 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.21 1.41 -2.54 4.41 8.25 0.95 -5.01 115.22 122.47 1pyg n HIS 768 Ca 0.00 -2.20 -0.42 0.00 -0.26 0.00 0.00 57.72 54.84 1pyg n HIS 768 Cb 0.00 -0.25 -0.02 0.00 1.12 0.00 0.00 29.99 30.84 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 -3.74 6.40 0.41 0.41 2.15 -0.20 -4.80 116.67 117.30 1pyg s ASP 769 Ca 0.29 0.18 0.23 0.00 0.43 0.00 0.00 52.55 53.69 1pyg s ASP 769 Cb 0.34 -2.55 0.37 0.00 -0.30 0.00 0.00 42.92 40.77 1pyg s ASP 769 CO -0.03 -1.51 1.60 -0.09 -0.17 0.00 0.00 175.17 174.98 1pyg h ARG 770 N 9.81 0.00 -0.44 4.34 2.43 -1.95 -3.35 114.38 125.23 1pyg h ARG 770 Ca -0.25 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.67 1pyg h ARG 770 Cb 1.06 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.46 1pyg h ARG 770 CO 1.18 0.00 -0.08 1.19 -1.51 0.00 0.00 179.97 180.75 1pyg n PHE 771 N -3.02 1.38 -4.25 2.20 3.72 -1.26 -5.03 117.46 111.21 1pyg n PHE 771 Ca 0.04 -1.74 -0.33 0.00 -0.05 0.00 0.00 57.45 55.36 1pyg n PHE 771 Cb 0.52 -0.55 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 1pyg n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1pyg n LYS 772 N -1.09 -0.82 0.13 -1.08 5.02 -1.26 -4.71 118.16 114.36 1pyg n LYS 772 Ca 0.37 0.08 -0.14 0.00 -2.02 0.00 0.00 58.31 56.59 1pyg n LYS 772 Cb 1.04 -3.31 -0.07 0.00 -0.02 0.00 0.00 35.03 32.67 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 -1.87 0.21 -0.35 -0.18 2.07 -1.93 -2.54 116.25 111.65 1pyg h VAL 773 Ca -0.66 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 1pyg h VAL 773 Cb 1.37 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1pyg h VAL 773 CO 0.66 0.00 0.18 -0.26 0.02 0.00 0.00 177.57 178.18 1pyg h PHE 774 N -0.65 0.46 0.00 1.57 0.04 -1.90 0.49 116.94 116.95 1pyg h PHE 774 Ca 0.02 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1pyg h PHE 774 Cb 0.66 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1pyg h PHE 774 CO -0.32 0.34 -0.26 0.00 -0.60 0.00 0.00 178.31 177.46 1pyg h ALA 775 N 1.72 1.57 -0.02 2.45 0.00 -1.84 -3.12 119.26 120.03 1pyg h ALA 775 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1pyg h ALA 775 Cb 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1pyg h ALA 775 CO -0.02 0.32 -0.09 -0.25 0.00 0.00 0.00 179.25 179.22 1pyg n ASP 776 N -4.22 1.96 -0.08 0.00 8.00 -0.82 -4.72 116.55 116.67 1pyg n ASP 776 Ca -0.02 -1.48 -0.11 0.00 0.71 0.00 0.00 54.79 53.89 1pyg n ASP 776 Cb 0.31 0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.50 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 2.39 -1.25 -0.25 1.24 3.20 -0.86 -0.61 116.97 120.83 1pyg h TYR 777 Ca 0.00 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1pyg h TYR 777 Cb 0.55 0.59 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1pyg h TYR 777 CO 0.00 -0.46 -0.34 1.05 -1.64 0.00 0.00 178.16 176.77 1pyg h GLU 778 N -0.39 0.55 -0.06 1.82 4.11 -1.85 -0.71 114.58 118.05 1pyg h GLU 778 Ca 0.11 -0.25 -0.11 0.00 0.07 0.00 0.00 59.36 59.18 1pyg h GLU 778 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1pyg h GLU 778 CO -0.51 0.81 -0.46 1.49 0.07 0.00 0.00 179.01 180.41 1pyg h GLU 779 N 0.46 0.15 0.47 1.06 4.22 -1.84 -1.39 114.58 117.70 1pyg h GLU 779 Ca 0.05 -0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.39 1pyg h GLU 779 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1pyg h GLU 779 CO 0.07 0.58 -0.23 -0.92 -2.18 0.00 0.00 179.01 176.33 1pyg h TYR 780 N 0.12 -0.58 -0.31 0.92 3.20 -0.64 -0.29 116.97 119.39 1pyg h TYR 780 Ca 0.01 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1pyg h TYR 780 Cb 0.86 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 1pyg h TYR 780 CO 0.01 -0.36 0.07 0.28 -1.64 0.00 0.00 178.16 176.52 1pyg h VAL 781 N -0.64 1.15 0.30 1.81 2.07 -1.02 -1.85 116.25 118.08 1pyg h VAL 781 Ca -0.06 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1pyg h VAL 781 Cb 0.49 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1pyg h VAL 781 CO 0.11 0.19 -0.14 0.50 0.02 0.00 0.00 177.57 178.24 1pyg h LYS 782 N 0.44 -0.39 -0.32 1.57 3.64 -0.87 -2.25 116.57 118.39 1pyg h LYS 782 Ca 0.10 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1pyg h LYS 782 Cb 0.18 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1pyg h LYS 782 CO -0.00 -0.22 0.22 0.00 -2.27 0.00 0.00 179.45 177.17 1pyg h GLN 784 N 0.31 1.09 -0.49 0.00 1.08 -0.76 -0.73 115.11 115.62 1pyg h GLN 784 Ca 0.13 -0.20 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1pyg h GLN 784 Cb 0.15 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1pyg h GLN 784 CO -0.03 0.90 0.24 0.93 -0.95 0.00 0.00 178.83 179.92 1pyg h GLU 785 N 1.06 0.68 -0.27 1.46 5.08 -0.93 0.66 114.58 122.33 1pyg h GLU 785 Ca 0.24 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1pyg h GLU 785 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1pyg h GLU 785 CO -0.02 0.53 -0.32 0.00 -1.00 0.00 0.00 179.01 178.20 1pyg h ARG 786 N 0.68 0.57 -0.05 2.33 3.08 -1.01 -0.21 114.38 119.76 1pyg h ARG 786 Ca 0.17 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1pyg h ARG 786 Cb 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1pyg h ARG 786 CO -0.02 0.82 -0.04 0.28 -1.07 0.00 0.00 179.97 179.93 1pyg h VAL 787 N 0.48 1.35 -0.65 2.04 2.07 -0.09 -2.37 116.25 119.09 1pyg h VAL 787 Ca 0.06 -1.12 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1pyg h VAL 787 Cb 0.79 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.52 1pyg h VAL 787 CO 0.06 0.31 0.27 0.28 0.02 0.00 0.00 177.57 178.51 1pyg h SER 788 N -0.29 0.88 -0.19 0.57 0.02 -0.88 -0.13 113.55 113.53 1pyg h SER 788 Ca 0.01 -0.16 0.05 0.00 -0.84 0.00 0.00 61.79 60.85 1pyg h SER 788 Cb 0.51 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.77 1pyg h SER 788 CO 0.01 0.80 -0.16 0.00 -1.14 0.00 0.00 176.83 176.34 1pyg h ALA 789 N 1.12 -0.03 -0.73 3.77 0.00 -1.04 -0.83 119.26 121.53 1pyg h ALA 789 Ca 0.22 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 1pyg h ALA 789 Cb 0.18 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1pyg h ALA 789 CO -0.02 -0.59 0.25 1.25 0.00 0.00 0.00 179.25 180.14 1pyg h LEU 790 N -0.17 1.03 -2.14 0.00 5.85 -1.18 -0.90 115.31 117.80 1pyg h LEU 790 Ca 0.12 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1pyg h LEU 790 Cb 0.34 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1pyg h LEU 790 CO -0.29 0.94 -0.02 0.22 -0.34 0.00 0.00 178.44 178.95 1pyg h TYR 791 N 1.07 0.00 -0.17 1.25 3.20 -0.18 0.14 116.97 122.28 1pyg h TYR 791 Ca 0.24 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.06 1pyg h TYR 791 Cb 0.26 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1pyg h TYR 791 CO 0.02 0.02 -0.12 0.87 -1.64 0.00 0.00 178.16 177.31 1pyg h LYS 792 N 0.00 0.27 -4.17 1.82 1.57 0.23 -3.37 116.57 112.92 1pyg h LYS 792 Ca -0.00 -0.06 -0.75 0.00 -1.87 0.00 0.00 60.65 57.97 1pyg h LYS 792 Cb 0.04 -0.04 -0.26 0.00 0.08 0.00 0.00 32.23 32.05 1pyg h LYS 792 CO 0.00 0.40 -0.28 1.21 -0.57 0.00 0.00 179.45 180.21 1pyg s ASN 793 N -6.86 6.04 0.39 0.86 3.04 0.48 -4.94 114.94 113.95 1pyg s ASN 793 Ca -0.06 -1.79 0.11 0.00 0.04 0.00 0.00 52.86 51.17 1pyg s ASN 793 Cb 0.15 -2.15 0.81 0.00 -1.54 0.00 0.00 41.25 38.52 1pyg s ASN 793 CO 0.74 -0.79 1.91 -0.65 -3.04 0.00 0.00 177.10 175.26 1pyg h PRO 794 N 8.75 0.14 -0.15 0.43 0.11 -1.77 -1.02 132.00 138.49 1pyg h PRO 794 Ca -0.27 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.65 1pyg h PRO 794 Cb 1.09 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1pyg h PRO 794 CO 0.97 0.34 -0.55 -0.09 -0.21 0.00 0.00 178.00 178.47 1pyg h ARG 795 N 0.14 0.45 0.10 1.05 2.43 -1.92 -0.62 114.38 116.00 1pyg h ARG 795 Ca 0.03 -0.28 -0.26 0.00 -0.81 0.00 0.00 59.98 58.66 1pyg h ARG 795 Cb 0.43 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 1pyg h ARG 795 CO 0.03 0.88 -1.17 0.93 -1.51 0.00 0.00 179.97 179.12 1pyg h GLU 796 N 0.35 0.23 0.75 0.20 4.39 -1.68 -2.73 114.58 116.09 1pyg h GLU 796 Ca 0.01 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.29 1pyg h GLU 796 Cb 1.07 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.86 1pyg h GLU 796 CO 0.10 1.17 -0.36 2.35 -1.16 0.00 0.00 179.01 181.11 1pyg h TRP 797 N 0.07 -0.93 -0.28 4.33 2.91 -0.88 -1.85 115.95 119.33 1pyg h TRP 797 Ca -0.11 -0.02 0.08 0.00 1.13 0.00 0.00 58.89 59.97 1pyg h TRP 797 Cb 1.90 0.31 -0.01 0.00 -0.51 0.00 0.00 29.16 30.85 1pyg h TRP 797 CO 0.05 -0.57 0.27 1.15 -1.03 0.00 0.00 178.44 178.31 1pyg h THR 798 N -1.04 0.52 -0.02 2.65 2.02 -1.19 0.61 112.91 116.44 1pyg h THR 798 Ca -0.10 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.86 1pyg h THR 798 Cb 0.78 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1pyg h THR 798 CO 0.17 0.00 -0.89 0.03 0.37 0.00 0.00 175.52 175.20 1pyg h ARG 799 N 0.00 0.44 -0.32 6.66 3.08 -1.20 -1.65 114.38 121.40 1pyg h ARG 799 Ca 0.13 -0.44 -0.16 0.00 0.07 0.00 0.00 59.98 59.58 1pyg h ARG 799 Cb 0.68 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1pyg h ARG 799 CO -0.00 1.09 -0.42 1.98 -1.07 0.00 0.00 179.97 181.55 1pyg h MET 800 N 0.26 0.79 -0.26 0.04 4.05 0.99 -1.84 114.93 118.97 1pyg h MET 800 Ca -0.07 -0.43 0.00 0.00 -0.28 0.00 0.00 59.70 58.92 1pyg h MET 800 Cb 1.52 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1pyg h MET 800 CO 0.16 1.06 0.17 0.28 0.23 0.00 0.00 176.91 178.80 1pyg h VAL 801 N 0.64 1.06 -0.83 -5.77 2.07 -1.11 -1.32 116.25 111.00 1pyg h VAL 801 Ca 0.05 -0.12 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1pyg h VAL 801 Cb 0.99 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 1pyg h VAL 801 CO 0.09 0.06 0.55 0.40 0.02 0.00 0.00 177.57 178.70 1pyg h ILE 802 N 0.34 0.74 0.00 4.57 2.04 -0.91 -0.30 117.51 123.99 1pyg h ILE 802 Ca 0.09 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1pyg h ILE 802 Cb -0.04 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1pyg h ILE 802 CO -0.02 0.07 -0.13 0.03 0.00 0.00 0.00 178.15 178.10 1pyg h ARG 803 N 0.41 0.00 0.04 2.37 3.08 -0.51 -1.84 114.38 117.94 1pyg h ARG 803 Ca 0.42 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.32 1pyg h ARG 803 Cb 1.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1pyg h ARG 803 CO -0.14 0.13 -0.77 -0.91 -1.07 0.00 0.00 179.97 177.21 1pyg h ASN 804 N 0.00 0.14 0.02 7.04 2.35 -0.01 -3.32 115.58 121.80 1pyg h ASN 804 Ca -0.00 -0.82 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 1pyg h ASN 804 Cb 0.88 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 39.20 1pyg h ASN 804 CO 0.02 1.32 -0.02 0.40 -1.65 0.00 0.00 177.43 177.50 1pyg h ILE 805 N -0.77 0.96 0.00 2.81 2.04 -1.34 -2.27 117.51 118.94 1pyg h ILE 805 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1pyg h ILE 805 Cb 1.34 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1pyg h ILE 805 CO -0.03 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.12 1pyg h ALA 806 N 0.94 1.00 -0.02 1.87 0.00 -1.50 -1.02 119.26 120.52 1pyg h ALA 806 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pyg h ALA 806 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pyg h ALA 806 CO -0.01 0.00 -0.07 0.25 0.00 0.00 0.00 179.25 179.43 1pyg n THR 807 N -3.05 0.00 0.48 0.00 -2.24 -0.89 -2.43 114.28 106.15 1pyg n THR 807 Ca -0.02 -0.39 0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1pyg n THR 807 Cb 0.16 1.16 0.46 0.00 -2.10 0.00 0.00 70.33 70.01 1pyg n THR 807 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1pyg h SER 808 N 3.68 0.00 -1.75 3.42 4.64 -0.80 -3.35 113.55 119.39 1pyg h SER 808 Ca 0.00 0.00 0.52 0.00 -0.47 0.00 0.00 61.79 61.84 1pyg h SER 808 Cb 0.82 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.82 1pyg h SER 808 CO 0.00 0.00 1.23 1.23 -0.87 0.00 0.00 176.83 178.42 1pyg h GLY 809 N 3.23 0.32 1.53 -0.77 0.00 -1.77 0.11 103.07 105.72 1pyg h GLY 809 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 1pyg h GLY 809 CO 0.00 -0.11 0.01 1.70 0.00 0.00 0.00 176.54 178.14 1pyg h LYS 810 N 0.01 0.58 -1.05 4.80 3.64 -1.87 -3.08 116.57 119.61 1pyg h LYS 810 Ca 0.88 -0.13 -0.19 0.00 -1.27 0.00 0.00 60.65 59.94 1pyg h LYS 810 Cb 3.37 -0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 34.99 1pyg h LYS 810 CO -0.11 0.60 0.25 1.19 -2.27 0.00 0.00 179.45 179.10 1pyg n PHE 811 N -4.27 1.13 -3.42 1.91 3.72 0.37 -4.81 117.46 112.08 1pyg n PHE 811 Ca 0.02 -1.05 -0.38 0.00 -0.05 0.00 0.00 57.45 55.98 1pyg n PHE 811 Cb 0.25 -0.53 -0.06 0.00 -0.94 0.00 0.00 39.48 38.20 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 0.20 6.83 0.43 4.37 0.15 -1.16 -1.45 113.70 123.07 1pyg s SER 812 Ca 0.21 0.99 0.30 0.00 0.70 0.00 0.00 55.95 58.15 1pyg s SER 812 Cb 0.18 -2.28 1.34 0.00 -1.71 0.00 0.00 66.02 63.55 1pyg s SER 812 CO 0.04 0.25 1.89 0.77 1.20 0.00 0.00 173.24 177.39 1pyg h SER 813 N 5.09 0.00 -0.69 5.45 4.64 -0.31 0.35 113.55 128.08 1pyg h SER 813 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 1pyg h SER 813 Cb 1.21 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1pyg h SER 813 CO 0.65 0.00 0.28 0.44 -0.87 0.00 0.00 176.83 177.33 1pyg h ASP 814 N 0.00 0.97 0.37 4.97 3.32 -1.91 0.41 116.42 124.55 1pyg h ASP 814 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 1pyg h ASP 814 Cb 0.33 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1pyg h ASP 814 CO 0.00 0.86 -0.18 -0.09 -1.72 0.00 0.00 179.24 178.11 1pyg h ARG 815 N 1.03 -0.48 -0.48 3.56 2.43 -1.24 -1.67 114.38 117.53 1pyg h ARG 815 Ca 0.24 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.53 1pyg h ARG 815 Cb 0.20 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 29.79 1pyg h ARG 815 CO -0.02 -0.23 0.00 1.15 -1.51 0.00 0.00 179.97 179.36 1pyg h THR 816 N -0.67 0.63 -0.46 0.20 2.02 -1.37 -0.60 112.91 112.65 1pyg h THR 816 Ca -0.05 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 1pyg h THR 816 Cb 0.48 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1pyg h THR 816 CO 0.08 0.02 -0.12 0.40 0.37 0.00 0.00 175.52 176.28 1pyg h ILE 817 N 0.12 1.27 -0.64 3.11 1.08 -0.91 -0.71 117.51 120.82 1pyg h ILE 817 Ca 0.24 -1.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.50 1pyg h ILE 817 Cb 0.36 1.12 -0.04 0.00 -3.07 0.00 0.00 36.82 35.19 1pyg h ILE 817 CO -0.40 0.43 0.42 0.00 -0.69 0.00 0.00 178.15 177.91 1pyg h ALA 818 N 0.88 1.66 -0.04 1.87 0.00 -0.76 0.26 119.26 123.12 1pyg h ALA 818 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pyg h ALA 818 Cb 0.67 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pyg h ALA 818 CO 0.05 0.27 0.00 1.96 0.00 0.00 0.00 179.25 181.53 1pyg h GLN 819 N 0.76 0.07 0.46 0.00 4.20 -0.50 -2.03 115.11 118.06 1pyg h GLN 819 Ca 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 1pyg h GLN 819 Cb 0.09 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 1pyg h GLN 819 CO -0.07 0.34 -0.42 1.88 -0.67 0.00 0.00 178.83 179.90 1pyg h TYR 820 N -0.21 -1.13 -0.70 2.96 0.05 -0.47 0.14 116.97 117.62 1pyg h TYR 820 Ca 0.01 0.00 0.15 0.00 0.05 0.00 0.00 58.73 58.95 1pyg h TYR 820 Cb 0.31 0.43 -0.11 0.00 1.01 0.00 0.00 36.73 38.37 1pyg h TYR 820 CO 0.03 -0.58 0.12 0.00 -1.05 0.00 0.00 178.16 176.67 1pyg h ALA 821 N -0.55 0.83 0.08 3.88 0.00 -0.56 0.37 119.26 123.31 1pyg h ALA 821 Ca -0.05 0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.76 1pyg h ALA 821 Cb 0.76 0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.85 1pyg h ALA 821 CO -0.04 -0.36 -1.17 -0.09 0.00 0.00 0.00 179.25 177.59 1pyg h ARG 822 N 0.22 0.62 0.00 0.00 9.65 -1.26 0.43 114.38 124.03 1pyg h ARG 822 Ca 0.39 -0.77 0.00 0.00 -1.10 0.00 0.00 59.98 58.50 1pyg h ARG 822 Cb 0.65 0.24 0.00 0.00 -1.39 0.00 0.00 29.97 29.47 1pyg h ARG 822 CO -0.52 1.34 -1.32 0.39 2.80 0.00 0.00 179.97 182.66 1pyg n GLU 823 N -3.79 1.10 0.01 0.20 1.02 0.50 -4.46 120.64 115.21 1pyg n GLU 823 Ca -0.12 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 1pyg n GLU 823 Cb 0.95 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 31.08 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 -1.77 0.09 0.54 -3.67 5.41 0.11 -4.88 119.36 115.19 1pyg n ILE 824 Ca -0.01 0.03 0.12 0.00 1.00 0.00 0.00 62.75 63.89 1pyg n ILE 824 Cb 0.32 -1.37 0.13 0.00 -0.71 0.00 0.00 39.64 38.01 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 0.00 0.00 -2.07 1.39 6.55 -1.13 -3.49 115.95 117.20 1pyg h TRP 825 Ca 0.00 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.77 1pyg h TRP 825 Cb 0.79 0.00 0.03 0.00 -0.86 0.00 0.00 29.16 29.12 1pyg h TRP 825 CO 0.00 0.00 -0.12 0.41 -1.05 0.00 0.00 178.44 177.68 1pyg n GLY 826 N 1.34 0.58 3.14 1.49 0.00 0.80 -4.98 105.19 107.56 1pyg n GLY 826 Ca 0.03 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 1pyg n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pyg s VAL 827 N -3.06 0.90 -0.27 1.61 -7.23 0.12 -4.99 120.40 107.48 1pyg s VAL 827 Ca 0.07 -1.29 -0.10 0.00 -1.81 0.00 0.00 61.98 58.85 1pyg s VAL 827 Cb -0.03 -0.97 -0.04 0.00 0.56 0.00 0.00 36.38 35.90 1pyg s VAL 827 CO 0.13 -0.33 0.16 -0.70 -0.31 0.00 0.00 175.10 174.04 1pyg s GLU 828 N -1.86 3.90 0.55 4.82 2.56 -1.26 -2.99 118.70 124.42 1pyg s GLU 828 Ca -0.03 -0.35 -0.19 0.00 0.00 0.00 0.00 54.97 54.39 1pyg s GLU 828 Cb -0.09 -3.56 -0.08 0.00 2.00 0.00 0.00 34.13 32.40 1pyg s GLU 828 CO 0.01 -0.15 0.68 -2.30 -0.56 0.00 0.00 175.26 172.94 1pyg n PRO 829 N 4.92 0.69 -4.12 4.30 -0.02 -1.26 -5.01 135.00 134.49 1pyg n PRO 829 Ca -0.15 0.26 -0.30 0.00 -2.02 0.00 0.00 63.50 61.30 1pyg n PRO 829 Cb 0.52 -1.83 -0.16 0.00 -0.02 0.00 0.00 33.50 32.01 1pyg n PRO 829 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1pyg s SER 830 N -1.13 2.65 0.00 2.55 0.15 -0.46 -4.98 113.70 112.48 1pyg s SER 830 Ca 0.69 -0.48 0.20 0.00 0.70 0.00 0.00 55.95 57.07 1pyg s SER 830 Cb -0.46 -1.17 0.55 0.00 -1.71 0.00 0.00 66.02 63.22 1pyg s SER 830 CO 0.53 -0.04 1.45 0.54 1.20 0.00 0.00 173.24 176.92 1pyg n ARG 831 N 4.64 2.16 -2.33 5.44 1.74 -1.26 -2.86 116.66 124.20 1pyg n ARG 831 Ca -0.17 -1.77 -0.40 0.00 -0.77 0.00 0.00 57.85 54.74 1pyg n ARG 831 Cb 0.50 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 1pyg n ARG 831 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1pyg s GLN 832 N -1.54 4.38 0.46 5.56 -0.44 -1.26 -5.02 119.66 121.80 1pyg s GLN 832 Ca 0.36 1.91 -0.21 0.00 -2.50 0.00 0.00 55.36 54.91 1pyg s GLN 832 Cb 0.20 -2.99 -0.09 0.00 -1.64 0.00 0.00 33.01 28.50 1pyg s GLN 832 CO 0.28 -0.06 1.04 1.03 0.50 0.00 0.00 175.29 178.08 1pyg s ARG 833 N -1.82 3.92 0.37 1.67 3.00 -1.26 -4.92 118.95 119.90 1pyg s ARG 833 Ca 0.50 1.40 -0.08 0.00 0.00 0.00 0.00 55.73 57.55 1pyg s ARG 833 Cb -0.33 -2.23 -0.06 0.00 0.00 0.00 0.00 34.95 32.33 1pyg s ARG 833 CO 0.43 -0.34 0.70 -0.51 0.00 0.00 0.00 175.30 175.58 1pyg s LEU 834 N -3.23 3.90 0.00 2.53 1.02 -0.33 -5.03 118.68 117.54 1pyg s LEU 834 Ca 0.64 0.98 0.00 0.00 0.02 0.00 0.00 54.13 55.77 1pyg s LEU 834 Cb -0.18 -3.84 0.00 0.00 0.02 0.00 0.00 46.19 42.19 1pyg s LEU 834 CO 0.22 -0.34 0.07 -2.65 0.02 0.00 0.00 176.35 173.67 1pyg n PRO 835 N -1.23 0.00 0.00 1.29 -0.02 -1.26 -4.68 135.00 129.09 1pyg n PRO 835 Ca 0.01 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1pyg n PRO 835 Cb 0.54 -0.21 0.00 0.00 -0.02 0.00 0.00 33.50 33.81 1pyg n PRO 835 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48