#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgp n GLN 2 N 0.00 0.00 -2.80 0.00 -0.06 0.60 -4.88 117.38 110.24 1pgp n GLN 2 Ca 0.00 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.60 1pgp n GLN 2 Cb 0.00 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.13 1pgp n GLN 2 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1pgp s ALA 3 N -1.93 3.33 0.16 1.69 0.00 -0.74 -4.80 121.76 119.47 1pgp s ALA 3 Ca 0.00 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1pgp s ALA 3 Cb 0.00 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.93 1pgp s ALA 3 CO 0.00 0.13 1.38 -0.44 0.00 0.00 0.00 175.76 176.82 1pgp h ASP 4 N 4.81 0.22 -5.04 0.00 3.32 -0.36 -1.32 116.42 118.05 1pgp h ASP 4 Ca -0.44 -0.18 -0.06 0.00 0.02 0.00 0.00 57.03 56.37 1pgp h ASP 4 Cb 1.21 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.54 1pgp h ASP 4 CO 0.69 0.99 -0.02 -0.51 -1.72 0.00 0.00 179.24 178.67 1pgp s ILE 5 N -3.18 0.05 0.13 0.35 2.07 -1.15 -4.48 121.20 115.00 1pgp s ILE 5 Ca -0.02 -0.40 0.11 0.00 -1.41 0.00 0.00 60.65 58.92 1pgp s ILE 5 Cb 0.10 -1.04 -0.04 0.00 0.13 0.00 0.00 42.46 41.61 1pgp s ILE 5 CO 0.82 -0.22 -0.26 0.00 -1.91 0.00 0.00 174.94 173.38 1pgp s ALA 6 N -3.08 2.32 -0.07 1.50 0.00 -0.87 -1.13 121.76 120.44 1pgp s ALA 6 Ca -0.02 -1.46 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1pgp s ALA 6 Cb 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1pgp s ALA 6 CO -0.07 0.51 -0.07 -1.17 0.00 0.00 0.00 175.76 174.96 1pgp s LEU 7 N -2.10 1.28 -0.16 0.00 1.98 -0.74 -0.88 118.68 118.05 1pgp s LEU 7 Ca 0.14 -0.21 -0.04 0.00 -2.89 0.00 0.00 54.13 51.13 1pgp s LEU 7 Cb -0.10 -0.65 -0.02 0.00 0.66 0.00 0.00 46.19 46.07 1pgp s LEU 7 CO 0.06 -0.06 -0.04 -0.63 -1.89 0.00 0.00 176.35 173.79 1pgp s ILE 8 N 1.18 3.78 0.00 6.68 1.01 -0.18 -1.63 121.20 132.05 1pgp s ILE 8 Ca -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1pgp s ILE 8 Cb -0.14 -2.66 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1pgp s ILE 8 CO -0.02 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1pgp n GLY 9 N 3.74 1.41 2.64 6.18 0.00 -0.28 -1.03 105.19 117.84 1pgp n GLY 9 Ca -0.17 -0.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.89 1pgp n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pgp n LEU 10 N 0.00 6.89 0.00 0.99 4.77 -1.26 -4.12 117.00 124.27 1pgp n LEU 10 Ca 0.00 -4.37 -0.28 0.00 -0.03 0.00 0.00 56.01 51.33 1pgp n LEU 10 Cb 0.00 -1.18 0.20 0.00 -2.33 0.00 0.00 43.42 40.10 1pgp n LEU 10 CO 0.00 1.76 0.84 0.00 -1.33 0.00 0.00 177.39 178.65 1pgp n ALA 11 N 0.41 -1.44 -0.17 -1.18 0.00 -1.26 -4.77 120.51 112.09 1pgp n ALA 11 Ca 0.51 -1.66 -0.02 0.00 0.00 0.00 0.00 53.44 52.27 1pgp n ALA 11 Cb 0.43 -0.08 0.20 0.00 0.00 0.00 0.00 19.45 20.01 1pgp n ALA 11 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1pgp h VAL 12 N -1.72 1.21 -0.49 0.00 2.07 -1.99 -1.33 116.25 114.00 1pgp h VAL 12 Ca -0.41 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.54 1pgp h VAL 12 Cb 1.13 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1pgp h VAL 12 CO 0.29 0.26 0.20 0.24 0.02 0.00 0.00 177.57 178.58 1pgp h MET 13 N 0.91 0.39 0.04 1.57 2.86 -1.92 -0.82 114.93 117.96 1pgp h MET 13 Ca 0.22 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1pgp h MET 13 Cb 0.13 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1pgp h MET 13 CO -0.03 0.26 -0.02 0.78 1.06 0.00 0.00 176.91 178.97 1pgp h GLY 14 N 0.40 -0.05 0.77 8.32 0.00 -1.52 -2.32 103.07 108.67 1pgp h GLY 14 Ca 0.23 0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.61 1pgp h GLY 14 CO -0.20 -0.02 0.27 1.46 0.00 0.00 0.00 176.54 178.05 1pgp h GLN 15 N -0.28 0.51 -0.65 4.80 4.20 -1.14 -0.80 115.11 121.74 1pgp h GLN 15 Ca -0.00 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.61 1pgp h GLN 15 Cb 0.26 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 1pgp h GLN 15 CO 0.01 0.34 0.14 -0.91 -0.67 0.00 0.00 178.83 177.73 1pgp h ASN 16 N 0.53 1.00 -0.56 1.46 2.35 -1.08 -1.17 115.58 118.11 1pgp h ASN 16 Ca 0.22 -0.22 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1pgp h ASN 16 Cb 0.10 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 1pgp h ASN 16 CO -0.14 0.97 -0.09 0.25 -1.65 0.00 0.00 177.43 176.78 1pgp h LEU 17 N 0.99 1.05 0.11 1.61 5.85 -0.92 0.62 115.31 124.63 1pgp h LEU 17 Ca 0.20 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1pgp h LEU 17 Cb 0.38 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1pgp h LEU 17 CO 0.01 1.14 -0.05 0.40 -0.34 0.00 0.00 178.44 179.60 1pgp h ILE 18 N 0.93 0.93 -0.48 4.05 2.04 -0.84 -0.50 117.51 123.64 1pgp h ILE 18 Ca 0.15 -0.14 0.04 0.00 1.00 0.00 0.00 64.86 65.91 1pgp h ILE 18 Cb 0.66 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1pgp h ILE 18 CO 0.05 0.03 0.24 -0.07 0.00 0.00 0.00 178.15 178.40 1pgp h LEU 19 N -0.21 0.35 -0.52 1.44 4.07 -1.03 -0.01 115.31 119.40 1pgp h LEU 19 Ca -0.01 0.03 0.04 0.00 0.08 0.00 0.00 57.88 58.01 1pgp h LEU 19 Cb 0.17 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.83 1pgp h LEU 19 CO 0.02 0.25 0.29 -1.13 -1.08 0.00 0.00 178.44 176.79 1pgp h ASN 20 N 0.48 0.43 -0.41 -0.43 -0.73 -0.67 0.73 115.58 114.98 1pgp h ASN 20 Ca 0.21 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.39 1pgp h ASN 20 Cb 0.12 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 1pgp h ASN 20 CO -0.15 0.30 0.20 0.24 -0.37 0.00 0.00 177.43 177.65 1pgp h MET 21 N 0.56 0.58 -0.66 6.67 2.86 -0.53 -2.69 114.93 121.72 1pgp h MET 21 Ca 0.22 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1pgp h MET 21 Cb 0.10 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 1pgp h MET 21 CO -0.14 0.50 0.39 -0.97 1.06 0.00 0.00 176.91 177.75 1pgp h ASN 22 N 0.52 0.80 0.06 1.22 -1.24 -0.47 -1.03 115.58 115.44 1pgp h ASN 22 Ca 0.14 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.08 1pgp h ASN 22 Cb 0.10 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 38.95 1pgp h ASN 22 CO -0.02 0.64 0.00 0.47 -1.29 0.00 0.00 177.43 177.23 1pgp n ASP 23 N -4.56 0.00 -0.47 1.15 9.92 0.20 -0.86 116.55 121.94 1pgp n ASP 23 Ca 0.05 0.50 0.06 0.00 -0.53 0.00 0.00 54.79 54.87 1pgp n ASP 23 Cb 0.07 -0.50 0.14 0.00 -0.64 0.00 0.00 41.12 40.19 1pgp n ASP 23 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1pgp n HIS 24 N -1.50 0.41 -2.03 1.24 8.25 -0.42 -5.00 115.22 116.17 1pgp n HIS 24 Ca 0.00 -0.68 -0.01 0.00 -0.26 0.00 0.00 57.72 56.78 1pgp n HIS 24 Cb 0.02 -0.13 -0.00 0.00 1.12 0.00 0.00 29.99 31.00 1pgp n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pgp n GLY 25 N -0.30 0.35 3.39 -1.41 0.00 -0.04 -5.06 105.19 102.13 1pgp n GLY 25 Ca 0.12 -0.85 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1pgp n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgp s PHE 26 N -2.06 2.94 -0.26 1.61 0.08 -1.03 -5.03 117.98 114.23 1pgp s PHE 26 Ca 0.00 -0.63 -0.28 0.00 0.12 0.00 0.00 56.93 56.15 1pgp s PHE 26 Cb -0.00 -1.98 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1pgp s PHE 26 CO 0.00 -0.27 0.99 0.08 -0.10 0.00 0.00 175.22 175.92 1pgp s VAL 27 N 0.76 4.68 0.01 -0.44 1.01 -1.26 -3.67 120.40 121.48 1pgp s VAL 27 Ca -0.03 1.82 0.03 0.00 0.00 0.00 0.00 61.98 63.81 1pgp s VAL 27 Cb -0.15 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1pgp s VAL 27 CO 0.02 -0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.13 1pgp s VAL 28 N 3.23 3.68 -0.21 2.92 1.01 -1.26 0.42 120.40 130.18 1pgp s VAL 28 Ca 0.42 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 1pgp s VAL 28 Cb -0.14 -2.61 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1pgp s VAL 28 CO 0.09 0.38 -0.06 0.00 0.00 0.00 0.00 175.10 175.51 1pgp s ALA 30 N 1.31 3.70 0.07 0.00 0.00 -0.16 -1.80 121.76 124.88 1pgp s ALA 30 Ca 0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 51.52 1pgp s ALA 30 Cb -0.14 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.69 1pgp s ALA 30 CO -0.03 0.55 0.31 0.12 0.00 0.00 0.00 175.76 176.71 1pgp s PHE 31 N -1.44 -0.08 0.05 0.00 5.36 -0.64 -2.05 117.98 119.18 1pgp s PHE 31 Ca 0.35 -0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 56.03 1pgp s PHE 31 Cb -0.14 0.10 0.02 0.00 -0.34 0.00 0.00 43.02 42.67 1pgp s PHE 31 CO 0.19 -0.55 0.31 1.21 -1.46 0.00 0.00 175.22 174.91 1pgp s ASN 32 N -2.37 -0.13 0.09 6.13 2.47 -1.26 -1.13 114.94 118.73 1pgp s ASN 32 Ca -0.01 -0.19 -0.29 0.00 0.42 0.00 0.00 52.86 52.78 1pgp s ASN 32 Cb 0.01 0.36 -0.15 0.00 -1.45 0.00 0.00 41.25 40.02 1pgp s ASN 32 CO -0.07 -0.63 1.65 -0.09 -3.72 0.00 0.00 177.10 174.25 1pgp h ARG 33 N 3.17 -0.58 -5.90 0.43 9.65 -2.00 -3.29 114.38 115.88 1pgp h ARG 33 Ca -0.32 0.04 -0.60 0.00 -1.10 0.00 0.00 59.98 58.00 1pgp h ARG 33 Cb 1.20 0.13 -0.12 0.00 -1.39 0.00 0.00 29.97 29.79 1pgp h ARG 33 CO 0.46 -0.38 0.64 0.99 2.80 0.00 0.00 179.97 184.48 1pgp s THR 34 N -6.08 4.29 -0.38 0.20 2.01 -1.26 -4.88 115.64 109.53 1pgp s THR 34 Ca -0.16 0.24 0.20 0.00 0.31 0.00 0.00 61.69 62.28 1pgp s THR 34 Cb 0.05 -4.61 0.21 0.00 0.01 0.00 0.00 72.50 68.15 1pgp s THR 34 CO 0.64 -1.26 1.62 0.55 -0.69 0.00 0.00 174.62 175.48 1pgp n VAL 35 N 6.21 1.05 -0.06 3.82 3.14 -1.24 -2.81 118.33 128.43 1pgp n VAL 35 Ca 0.02 0.54 -0.06 0.00 -2.96 0.00 0.00 64.34 61.87 1pgp n VAL 35 Cb 0.47 -1.51 0.13 0.00 -1.06 0.00 0.00 33.84 31.88 1pgp n VAL 35 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 1pgp h SER 36 N 0.00 0.69 0.05 6.55 4.64 -1.91 -2.48 113.55 121.09 1pgp h SER 36 Ca 0.00 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1pgp h SER 36 Cb 0.13 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1pgp h SER 36 CO 0.00 0.90 -0.01 0.11 -0.87 0.00 0.00 176.83 176.95 1pgp h LYS 37 N 0.61 0.00 -0.17 4.77 1.57 -1.92 -0.90 116.57 120.52 1pgp h LYS 37 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1pgp h LYS 37 Cb 0.69 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 1pgp h LYS 37 CO 0.05 0.01 -0.04 0.28 -0.57 0.00 0.00 179.45 179.18 1pgp h VAL 38 N 0.00 1.29 -0.63 0.50 2.07 -1.64 -1.11 116.25 116.72 1pgp h VAL 38 Ca -0.00 -1.01 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 1pgp h VAL 38 Cb 0.04 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1pgp h VAL 38 CO 0.00 0.30 0.04 0.44 0.02 0.00 0.00 177.57 178.38 1pgp h ASP 39 N 0.04 1.05 -0.26 0.57 3.32 -1.29 -1.87 116.42 117.99 1pgp h ASP 39 Ca 0.04 -0.28 0.05 0.00 0.02 0.00 0.00 57.03 56.86 1pgp h ASP 39 Cb 0.48 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1pgp h ASP 39 CO 0.02 1.07 -0.00 -0.78 -1.72 0.00 0.00 179.24 177.83 1pgp h ASP 40 N 1.00 -0.11 -0.05 6.45 1.82 -1.36 -0.47 116.42 123.70 1pgp h ASP 40 Ca 0.19 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1pgp h ASP 40 Cb 0.51 0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.62 1pgp h ASP 40 CO 0.02 -0.02 0.03 0.15 -1.61 0.00 0.00 179.24 177.81 1pgp h PHE 41 N 0.08 0.07 0.00 0.28 3.57 -0.92 -1.71 116.94 118.31 1pgp h PHE 41 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.61 1pgp h PHE 41 Cb 0.16 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1pgp h PHE 41 CO -0.21 0.09 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.82 1pgp h LEU 42 N 0.03 0.00 0.08 0.59 3.38 -0.96 -0.59 115.31 117.84 1pgp h LEU 42 Ca 0.02 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 1pgp h LEU 42 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1pgp h LEU 42 CO -0.00 0.07 -1.26 0.00 0.09 0.00 0.00 178.44 177.34 1pgp h ALA 43 N 1.93 0.25 -3.00 1.53 0.00 -0.89 -3.23 119.26 115.84 1pgp h ALA 43 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1pgp h ALA 43 Cb 0.13 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pgp h ALA 43 CO 0.01 1.13 0.00 0.09 0.00 0.00 0.00 179.25 180.48 1pgp n ASN 44 N -3.43 0.00 -0.24 0.00 3.02 -0.66 -4.51 115.26 109.44 1pgp n ASN 44 Ca -0.08 0.00 0.25 0.00 -0.03 0.00 0.00 54.58 54.72 1pgp n ASN 44 Cb 1.01 0.00 0.61 0.00 -0.61 0.00 0.00 39.78 40.79 1pgp n ASN 44 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pgp h GLU 45 N 0.00 0.20 -0.62 3.52 3.07 -1.74 -1.18 114.58 117.84 1pgp h GLU 45 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1pgp h GLU 45 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1pgp h GLU 45 CO 0.00 0.14 0.00 0.00 -1.40 0.00 0.00 179.01 177.75 1pgp n ALA 46 N -2.61 3.74 -2.44 3.43 0.00 -0.28 -4.95 120.51 117.40 1pgp n ALA 46 Ca 0.20 -1.75 -0.41 0.00 0.00 0.00 0.00 53.44 51.49 1pgp n ALA 46 Cb 0.88 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.17 1pgp n ALA 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pgp s LYS 47 N -2.57 4.60 0.00 0.00 2.36 -0.45 -3.36 119.74 120.32 1pgp s LYS 47 Ca 0.50 1.31 0.00 0.00 -2.55 0.00 0.00 55.97 55.23 1pgp s LYS 47 Cb 0.38 -3.40 0.00 0.00 -1.05 0.00 0.00 37.83 33.76 1pgp s LYS 47 CO 0.15 0.15 0.00 0.41 1.55 0.00 0.00 175.35 177.62 1pgp n GLY 48 N 2.51 0.38 3.63 5.54 0.00 -1.26 -5.04 105.19 110.95 1pgp n GLY 48 Ca 0.02 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1pgp n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pgp s THR 49 N -2.00 2.10 -1.61 2.61 -4.23 -1.21 -5.06 115.64 106.24 1pgp s THR 49 Ca 0.00 -1.97 0.29 0.00 -1.18 0.00 0.00 61.69 58.84 1pgp s THR 49 Cb 0.00 -2.96 0.62 0.00 1.34 0.00 0.00 72.50 71.50 1pgp s THR 49 CO 0.00 -0.03 2.05 0.29 -0.54 0.00 0.00 174.62 176.39 1pgp n LYS 50 N -1.00 0.58 -2.23 3.99 5.02 -1.26 -4.91 118.16 118.36 1pgp n LYS 50 Ca -0.04 0.01 -0.40 0.00 -2.02 0.00 0.00 58.31 55.85 1pgp n LYS 50 Cb 0.66 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 1pgp n LYS 50 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1pgp s VAL 51 N -2.39 2.96 0.20 -0.18 0.11 -1.26 -4.57 120.40 115.27 1pgp s VAL 51 Ca 0.33 0.96 0.05 0.00 -2.93 0.00 0.00 61.98 60.39 1pgp s VAL 51 Cb 0.20 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 31.41 1pgp s VAL 51 CO 0.41 0.22 0.28 -0.76 -3.33 0.00 0.00 175.10 171.93 1pgp s LEU 52 N -1.72 4.17 0.22 2.54 1.43 0.57 -4.97 118.68 120.92 1pgp s LEU 52 Ca 0.48 0.02 0.10 0.00 -1.03 0.00 0.00 54.13 53.70 1pgp s LEU 52 Cb -0.37 -2.73 -0.04 0.00 0.03 0.00 0.00 46.19 43.08 1pgp s LEU 52 CO 0.49 -0.01 -0.12 -0.83 0.23 0.00 0.00 176.35 176.11 1pgp s GLY 53 N -3.61 1.74 0.04 -3.19 0.00 -1.26 -0.99 107.32 100.04 1pgp s GLY 53 Ca 0.34 -1.63 0.02 0.00 0.00 0.00 0.00 44.72 43.45 1pgp s GLY 53 CO 0.27 -1.68 -0.08 0.00 0.00 0.00 0.00 173.10 171.62 1pgp s ALA 54 N -2.02 0.56 -0.00 3.20 0.00 -0.87 -4.83 121.76 117.80 1pgp s ALA 54 Ca 0.27 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.51 1pgp s ALA 54 Cb -0.07 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.08 1pgp s ALA 54 CO 0.15 -0.01 0.84 0.72 0.00 0.00 0.00 175.76 177.47 1pgp n HIS 55 N 1.58 0.00 -3.45 0.00 8.25 -1.26 -4.77 115.22 115.56 1pgp n HIS 55 Ca -0.22 -0.34 -0.12 0.00 -0.26 0.00 0.00 57.72 56.77 1pgp n HIS 55 Cb 0.55 -0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 1pgp n HIS 55 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pgp s SER 56 N -0.69 -0.54 0.09 0.41 1.04 -1.26 -5.03 113.70 107.73 1pgp s SER 56 Ca 0.00 0.03 -0.19 0.00 0.48 0.00 0.00 55.95 56.27 1pgp s SER 56 Cb 0.00 0.58 -0.07 0.00 0.10 0.00 0.00 66.02 66.63 1pgp s SER 56 CO 0.00 -0.92 1.58 0.25 0.98 0.00 0.00 173.24 175.13 1pgp h LEU 57 N 2.14 0.39 -1.51 2.42 5.85 -1.98 0.54 115.31 123.16 1pgp h LEU 57 Ca -0.33 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 1pgp h LEU 57 Cb 1.29 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 1pgp h LEU 57 CO 0.39 0.53 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.65 1pgp h GLU 58 N 0.23 0.27 -0.05 1.25 3.07 -1.98 0.19 114.58 117.55 1pgp h GLU 58 Ca 0.08 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 58.69 1pgp h GLU 58 Cb 0.29 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1pgp h GLU 58 CO 0.00 0.33 -0.77 1.49 -1.40 0.00 0.00 179.01 178.66 1pgp h GLU 59 N 0.26 0.61 -0.66 2.33 4.81 -1.86 -2.92 114.58 117.16 1pgp h GLU 59 Ca 0.06 -0.59 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 1pgp h GLU 59 Cb 0.24 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1pgp h GLU 59 CO 0.01 1.20 0.19 1.98 -0.73 0.00 0.00 179.01 181.66 1pgp h MET 60 N 0.24 1.01 -0.20 1.92 4.05 0.12 -1.91 114.93 120.15 1pgp h MET 60 Ca -0.08 -0.21 -0.10 0.00 -0.28 0.00 0.00 59.70 59.03 1pgp h MET 60 Cb 1.43 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 32.07 1pgp h MET 60 CO 0.15 0.87 -0.31 -0.24 0.23 0.00 0.00 176.91 177.61 1pgp h VAL 61 N 0.97 1.28 0.00 -5.77 3.04 -1.03 -2.89 116.25 111.86 1pgp h VAL 61 Ca 0.21 -1.36 -0.01 0.00 -1.01 0.00 0.00 66.70 64.53 1pgp h VAL 61 Cb 0.30 1.47 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 1pgp h VAL 61 CO -0.01 0.42 -0.04 0.77 -1.01 0.00 0.00 177.57 177.71 1pgp h SER 62 N 0.36 0.00 0.95 3.17 4.64 -1.16 -2.82 113.55 118.67 1pgp h SER 62 Ca 0.05 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1pgp h SER 62 Cb 0.73 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1pgp h SER 62 CO 0.06 0.04 -0.08 0.11 -0.87 0.00 0.00 176.83 176.09 1pgp h LYS 63 N 0.00 0.00 -6.64 4.77 1.79 -1.19 -1.61 116.57 113.68 1pgp h LYS 63 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 1pgp h LYS 63 Cb 0.82 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 1pgp h LYS 63 CO 0.01 0.08 0.22 -0.51 -1.08 0.00 0.00 179.45 178.17 1pgp s LEU 64 N -6.43 4.49 0.48 2.94 1.43 -1.07 -0.29 118.68 120.23 1pgp s LEU 64 Ca 0.01 1.68 -0.21 0.00 -1.03 0.00 0.00 54.13 54.58 1pgp s LEU 64 Cb 0.10 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.68 1pgp s LEU 64 CO 0.57 0.11 1.07 -0.54 0.23 0.00 0.00 176.35 177.79 1pgp s LYS 65 N -1.53 3.74 -0.02 1.70 1.02 -0.50 -4.07 119.74 120.08 1pgp s LYS 65 Ca 0.41 1.49 -0.17 0.00 0.02 0.00 0.00 55.97 57.72 1pgp s LYS 65 Cb -0.21 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1pgp s LYS 65 CO 0.25 -0.50 0.46 0.15 -0.92 0.00 0.00 175.35 174.79 1pgp s LYS 66 N -3.08 4.11 -0.01 1.68 1.02 -1.26 -2.00 119.74 120.20 1pgp s LYS 66 Ca 0.67 0.49 -0.30 0.00 0.02 0.00 0.00 55.97 56.85 1pgp s LYS 66 Cb -0.20 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.76 1pgp s LYS 66 CO 0.24 0.52 1.45 -2.14 -0.92 0.00 0.00 175.35 174.49 1pgp s PRO 67 N -0.55 4.26 -0.32 -1.68 0.02 -1.26 -5.08 135.00 130.39 1pgp s PRO 67 Ca 0.25 2.01 -0.35 0.00 0.02 0.00 0.00 61.00 62.93 1pgp s PRO 67 Cb -0.17 -3.65 -0.11 0.00 0.02 0.00 0.00 34.50 30.59 1pgp s PRO 67 CO 0.14 -0.64 2.14 0.54 -0.33 0.00 0.00 177.00 178.85 1pgp n ARG 68 N 5.74 1.21 -3.82 5.54 3.00 -0.85 -4.79 116.66 122.69 1pgp n ARG 68 Ca 0.14 0.35 -0.35 0.00 -0.01 0.00 0.00 57.85 57.98 1pgp n ARG 68 Cb 0.43 -2.50 -0.09 0.00 0.00 0.00 0.00 32.46 30.31 1pgp n ARG 68 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1pgp s ARG 69 N 5.90 4.11 -0.07 5.56 0.52 -1.26 -0.66 118.95 133.04 1pgp s ARG 69 Ca 1.07 -0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.98 1pgp s ARG 69 Cb -0.83 -3.36 0.04 0.00 0.52 0.00 0.00 34.95 31.32 1pgp s ARG 69 CO 0.50 0.27 0.17 -1.50 0.02 0.00 0.00 175.30 174.75 1pgp s ILE 70 N 0.41 -0.04 -0.10 1.52 -1.16 -0.37 -2.04 121.20 119.42 1pgp s ILE 70 Ca 0.06 0.16 -0.07 0.00 -0.51 0.00 0.00 60.65 60.29 1pgp s ILE 70 Cb -0.12 -0.26 -0.04 0.00 0.61 0.00 0.00 42.46 42.65 1pgp s ILE 70 CO -0.01 0.06 0.16 -0.63 -2.81 0.00 0.00 174.94 171.71 1pgp s ILE 71 N 1.08 5.48 -0.11 2.00 1.01 -0.06 0.19 121.20 130.79 1pgp s ILE 71 Ca -0.08 0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1pgp s ILE 71 Cb -0.10 -3.43 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 1pgp s ILE 71 CO -0.06 0.59 -0.21 -0.76 0.00 0.00 0.00 174.94 174.50 1pgp s LEU 72 N -1.12 2.27 -0.40 2.97 1.43 0.81 -1.01 118.68 123.64 1pgp s LEU 72 Ca 0.17 -0.49 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1pgp s LEU 72 Cb -0.12 -1.47 0.30 0.00 0.03 0.00 0.00 46.19 44.93 1pgp s LEU 72 CO 0.06 0.16 0.65 -0.11 0.23 0.00 0.00 176.35 177.33 1pgp n LEU 73 N 3.54 0.87 -4.77 1.79 7.94 -0.20 -0.98 117.00 125.19 1pgp n LEU 73 Ca -0.19 -4.92 -0.25 0.00 -1.11 0.00 0.00 56.01 49.54 1pgp n LEU 73 Cb 0.53 0.55 -0.06 0.00 0.53 0.00 0.00 43.42 44.96 1pgp n LEU 73 CO 0.29 2.18 -0.12 0.68 -1.11 0.00 0.00 177.39 179.31 1pgp s VAL 74 N -1.97 2.25 0.16 1.96 -7.23 -1.26 -4.50 120.40 109.80 1pgp s VAL 74 Ca 0.38 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.60 1pgp s VAL 74 Cb 0.26 -2.89 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 1pgp s VAL 74 CO -0.09 0.00 1.51 -0.54 -0.31 0.00 0.00 175.10 175.66 1pgp s LYS 75 N -3.97 4.25 0.46 4.82 -0.14 -1.26 -4.64 119.74 119.26 1pgp s LYS 75 Ca 0.40 2.28 -0.25 0.00 -1.36 0.00 0.00 55.97 57.04 1pgp s LYS 75 Cb 0.02 -3.18 -0.08 0.00 -1.68 0.00 0.00 37.83 32.92 1pgp s LYS 75 CO 0.22 -0.54 1.36 0.00 -0.76 0.00 0.00 175.35 175.63 1pgp s ALA 76 N 1.04 3.15 0.00 5.17 0.00 -1.26 -4.15 121.76 125.71 1pgp s ALA 76 Ca 0.68 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1pgp s ALA 76 Cb -0.42 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1pgp s ALA 76 CO 0.32 -1.08 0.00 0.41 0.00 0.00 0.00 175.76 175.41 1pgp n GLY 77 N 0.62 0.26 0.27 0.00 0.00 -1.26 -4.77 105.19 100.31 1pgp n GLY 77 Ca 0.06 -1.22 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1pgp n GLY 77 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pgp h GLN 78 N 0.00 0.87 -0.67 1.61 5.75 -2.01 -3.22 115.11 117.43 1pgp h GLN 78 Ca 0.00 -0.36 0.07 0.00 -0.15 0.00 0.00 58.65 58.22 1pgp h GLN 78 Cb 0.00 -0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.45 1pgp h GLN 78 CO 0.00 1.00 0.35 0.00 -2.65 0.00 0.00 178.83 177.53 1pgp h ALA 79 N 1.00 0.91 -0.48 3.38 0.00 -1.86 0.63 119.26 122.83 1pgp h ALA 79 Ca 0.10 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.12 1pgp h ALA 79 Cb 0.76 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1pgp h ALA 79 CO 0.06 -0.01 0.14 0.28 0.00 0.00 0.00 179.25 179.72 1pgp h VAL 80 N 0.62 0.79 -0.52 0.00 2.07 -1.71 0.44 116.25 117.94 1pgp h VAL 80 Ca 0.32 -0.10 -0.11 0.00 0.82 0.00 0.00 66.70 67.63 1pgp h VAL 80 Cb 0.27 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1pgp h VAL 80 CO -0.23 0.06 -0.09 0.44 0.02 0.00 0.00 177.57 177.77 1pgp h ASP 81 N 0.30 0.99 -0.16 0.57 3.32 -1.20 0.02 116.42 120.25 1pgp h ASP 81 Ca 0.24 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1pgp h ASP 81 Cb 0.28 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1pgp h ASP 81 CO -0.27 1.10 0.11 0.78 -1.72 0.00 0.00 179.24 179.24 1pgp h ASN 82 N 0.86 0.19 -0.66 6.45 -0.26 -0.29 0.10 115.58 121.97 1pgp h ASN 82 Ca 0.14 -0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.78 1pgp h ASN 82 Cb 0.65 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.83 1pgp h ASN 82 CO 0.04 0.15 0.09 -0.26 -1.06 0.00 0.00 177.43 176.39 1pgp h PHE 83 N 0.21 1.18 -0.01 1.19 0.04 -0.76 -1.85 116.94 116.94 1pgp h PHE 83 Ca 0.06 -0.17 0.02 0.00 2.80 0.00 0.00 57.97 60.68 1pgp h PHE 83 Cb -0.01 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 1pgp h PHE 83 CO -0.06 0.99 -0.11 0.82 -0.60 0.00 0.00 178.31 179.35 1pgp h ILE 84 N 1.03 0.72 -0.49 -0.55 2.04 -0.63 -1.55 117.51 118.07 1pgp h ILE 84 Ca 0.20 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.13 1pgp h ILE 84 Cb 0.47 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.20 1pgp h ILE 84 CO 0.02 0.00 0.15 -0.33 0.00 0.00 0.00 178.15 177.99 1pgp h GLU 85 N -0.18 0.31 -0.37 2.37 3.07 -0.52 -2.06 114.58 117.19 1pgp h GLU 85 Ca 0.05 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.79 1pgp h GLU 85 Cb 0.24 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 1pgp h GLU 85 CO -0.12 0.20 -0.16 0.87 -1.40 0.00 0.00 179.01 178.40 1pgp h LYS 86 N 0.32 0.67 -0.00 2.33 6.56 -1.08 -3.28 116.57 122.09 1pgp h LYS 86 Ca 0.24 -0.23 -0.19 0.00 -1.06 0.00 0.00 60.65 59.41 1pgp h LYS 86 Cb 0.27 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.86 1pgp h LYS 86 CO -0.26 0.80 -0.85 -0.07 -2.06 0.00 0.00 179.45 177.01 1pgp h LEU 87 N 0.60 0.19 -0.16 2.94 3.38 -0.63 -3.38 115.31 118.26 1pgp h LEU 87 Ca 0.10 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1pgp h LEU 87 Cb 0.61 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1pgp h LEU 87 CO 0.04 0.95 0.08 0.58 0.09 0.00 0.00 178.44 180.18 1pgp h VAL 88 N 0.08 1.01 -0.27 1.22 2.07 -1.46 -0.12 116.25 118.77 1pgp h VAL 88 Ca -0.03 -0.06 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1pgp h VAL 88 Cb 1.47 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1pgp h VAL 88 CO 0.12 0.03 0.31 1.55 0.02 0.00 0.00 177.57 179.61 1pgp h PRO 89 N 0.17 0.00 -0.00 1.57 0.13 -1.77 -1.82 132.00 130.28 1pgp h PRO 89 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1pgp h PRO 89 Cb 0.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1pgp h PRO 89 CO -0.04 0.00 -0.31 1.28 -0.23 0.00 0.00 178.00 178.71 1pgp n LEU 90 N -3.71 0.67 -4.66 1.56 7.99 -0.10 -4.96 117.00 113.79 1pgp n LEU 90 Ca 0.04 -0.07 -0.31 0.00 -0.01 0.00 0.00 56.01 55.66 1pgp n LEU 90 Cb 0.45 -0.20 -0.09 0.00 -0.11 0.00 0.00 43.42 43.47 1pgp n LEU 90 CO 0.27 0.14 -0.35 -0.76 -1.51 0.00 0.00 177.39 175.17 1pgp s LEU 91 N -2.72 3.38 0.66 2.23 1.43 -0.69 -5.03 118.68 117.94 1pgp s LEU 91 Ca 0.19 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 1pgp s LEU 91 Cb 0.19 -2.05 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 1pgp s LEU 91 CO 0.58 0.22 1.03 -1.81 0.23 0.00 0.00 176.35 176.60 1pgp s ASP 92 N -1.97 5.68 -0.01 2.29 1.01 -1.26 -5.00 116.67 117.40 1pgp s ASP 92 Ca 0.22 1.11 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 1pgp s ASP 92 Cb -0.11 -2.02 -0.05 0.00 1.01 0.00 0.00 42.92 41.75 1pgp s ASP 92 CO 0.14 -1.15 1.36 -0.63 0.21 0.00 0.00 175.17 175.10 1pgp s ILE 93 N -3.23 3.83 0.00 0.77 -1.09 -1.26 -2.28 121.20 117.94 1pgp s ILE 93 Ca 0.56 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 1pgp s ILE 93 Cb -0.11 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1pgp s ILE 93 CO 0.51 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1pgp n GLY 94 N 3.59 0.64 3.84 6.18 0.00 0.21 -5.02 105.19 114.63 1pgp n GLY 94 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1pgp n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgp s ASP 95 N -2.36 6.83 -0.24 1.61 1.01 -0.97 -4.74 116.67 117.81 1pgp s ASP 95 Ca 0.00 1.47 -0.02 0.00 0.71 0.00 0.00 52.55 54.71 1pgp s ASP 95 Cb 0.00 -2.45 0.02 0.00 1.01 0.00 0.00 42.92 41.50 1pgp s ASP 95 CO 0.00 -0.31 -0.06 -0.63 0.21 0.00 0.00 175.17 174.39 1pgp s ILE 96 N -2.13 2.97 -0.08 0.77 1.01 0.16 -0.62 121.20 123.29 1pgp s ILE 96 Ca 0.58 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 1pgp s ILE 96 Cb -0.10 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1pgp s ILE 96 CO 0.17 0.24 0.05 -0.63 0.00 0.00 0.00 174.94 174.77 1pgp s ILE 97 N 1.36 4.65 -0.12 2.92 1.01 -0.75 -1.23 121.20 129.04 1pgp s ILE 97 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 1pgp s ILE 97 Cb -0.16 -3.01 0.03 0.00 0.01 0.00 0.00 42.46 39.33 1pgp s ILE 97 CO -0.04 0.56 -0.06 -0.63 0.00 0.00 0.00 174.94 174.76 1pgp s ILE 98 N -0.98 0.98 -0.36 2.92 1.01 0.13 -2.08 121.20 122.82 1pgp s ILE 98 Ca 0.16 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1pgp s ILE 98 Cb -0.12 -1.04 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1pgp s ILE 98 CO 0.05 0.31 0.26 -0.62 0.00 0.00 0.00 174.94 174.94 1pgp s ASP 99 N 1.72 6.08 0.00 3.58 2.15 0.18 -0.13 116.67 130.24 1pgp s ASP 99 Ca 0.04 -0.51 0.25 0.00 0.43 0.00 0.00 52.55 52.75 1pgp s ASP 99 Cb -0.13 -2.15 0.35 0.00 -0.30 0.00 0.00 42.92 40.69 1pgp s ASP 99 CO -0.08 -0.29 1.34 0.61 -0.17 0.00 0.00 175.17 176.58 1pgp n GLY 100 N 5.11 0.58 3.83 2.66 0.00 -0.16 -0.58 105.19 116.63 1pgp n GLY 100 Ca -0.12 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1pgp n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pgp s GLY 101 N -2.10 1.63 -1.37 -0.02 0.00 -1.25 -4.19 107.32 100.02 1pgp s GLY 101 Ca 0.28 -0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.59 1pgp s GLY 101 CO 0.36 0.16 1.97 0.70 0.00 0.00 0.00 173.10 176.29 1pgp n ASN 102 N -3.29 4.39 -4.86 1.64 3.02 -1.26 -4.87 115.26 110.02 1pgp n ASN 102 Ca 0.07 -2.88 -0.32 0.00 -0.03 0.00 0.00 54.58 51.42 1pgp n ASN 102 Cb 0.57 -1.70 -0.06 0.00 -0.61 0.00 0.00 39.78 37.98 1pgp n ASN 102 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1pgp s SER 103 N 3.79 6.69 0.26 6.41 0.01 -1.26 -4.76 113.70 124.84 1pgp s SER 103 Ca 0.51 1.09 -0.23 0.00 1.31 0.00 0.00 55.95 58.63 1pgp s SER 103 Cb 0.09 -2.29 -0.09 0.00 0.21 0.00 0.00 66.02 63.93 1pgp s SER 103 CO 0.00 -0.14 0.82 -1.83 0.41 0.00 0.00 173.24 172.50 1pgp s GLU 104 N -2.92 4.43 0.55 12.44 -1.05 -1.26 -4.90 118.70 125.99 1pgp s GLU 104 Ca 0.51 1.09 0.29 0.00 -0.15 0.00 0.00 54.97 56.70 1pgp s GLU 104 Cb -0.11 -2.89 1.46 0.00 -0.44 0.00 0.00 34.13 32.15 1pgp s GLU 104 CO 0.20 0.37 1.93 0.10 0.95 0.00 0.00 175.26 178.81 1pgp h TYR 105 N 3.42 0.00 0.00 4.83 -0.00 -1.87 -1.51 116.97 121.84 1pgp h TYR 105 Ca -0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.20 1pgp h TYR 105 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.92 1pgp h TYR 105 CO 0.63 0.00 -0.25 0.00 -0.00 0.00 0.00 178.16 178.54 1pgp h ARG 106 N 0.00 0.00 -0.07 0.10 3.08 -1.93 -2.74 114.38 112.81 1pgp h ARG 106 Ca 0.30 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.11 1pgp h ARG 106 Cb 1.31 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.37 1pgp h ARG 106 CO -0.00 0.25 -0.92 -0.44 -1.07 0.00 0.00 179.97 177.79 1pgp h ASP 107 N 0.00 0.92 -0.67 7.04 5.19 -1.67 -2.83 116.42 124.40 1pgp h ASP 107 Ca -0.00 -0.67 0.01 0.00 -0.62 0.00 0.00 57.03 55.75 1pgp h ASP 107 Cb 1.01 -0.28 -0.04 0.00 0.18 0.00 0.00 39.33 40.21 1pgp h ASP 107 CO 0.03 1.48 0.43 0.74 -3.12 0.00 0.00 179.24 178.80 1pgp h THR 108 N 0.46 1.14 0.00 0.35 2.02 -1.51 0.25 112.91 115.62 1pgp h THR 108 Ca -0.09 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.69 1pgp h THR 108 Cb 1.56 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1pgp h THR 108 CO 0.18 0.16 -0.48 0.00 0.37 0.00 0.00 175.52 175.75 1pgp h MET 109 N 0.87 0.00 0.42 6.66 -0.00 -1.42 -0.23 114.93 121.24 1pgp h MET 109 Ca 0.25 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.93 1pgp h MET 109 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.54 1pgp h MET 109 CO -0.07 0.48 -0.20 -0.09 -0.00 0.00 0.00 176.91 177.03 1pgp h ARG 110 N 0.00 -0.55 -0.90 -0.10 2.43 -1.21 -2.13 114.38 111.92 1pgp h ARG 110 Ca -0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1pgp h ARG 110 Cb 1.05 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 1pgp h ARG 110 CO 0.06 -0.25 0.56 0.00 -1.51 0.00 0.00 179.97 178.83 1pgp h ARG 111 N -0.85 1.21 -0.32 0.20 3.08 -0.88 -1.53 114.38 115.29 1pgp h ARG 111 Ca -0.06 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1pgp h ARG 111 Cb 0.55 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1pgp h ARG 111 CO 0.10 0.84 0.09 0.00 -1.07 0.00 0.00 179.97 179.92 1pgp h ARG 113 N 0.37 -0.49 -0.04 0.00 2.43 -1.06 -0.29 114.38 115.29 1pgp h ARG 113 Ca 0.10 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1pgp h ARG 113 Cb 0.27 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 1pgp h ARG 113 CO -0.00 -0.24 -0.34 -0.44 -1.51 0.00 0.00 179.97 177.44 1pgp h ASP 114 N -0.67 -1.03 -0.46 -3.80 5.19 -1.25 -1.79 116.42 112.62 1pgp h ASP 114 Ca -0.05 0.14 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1pgp h ASP 114 Cb 0.48 0.42 -0.02 0.00 0.18 0.00 0.00 39.33 40.38 1pgp h ASP 114 CO 0.09 -0.39 0.13 -0.07 -3.12 0.00 0.00 179.24 175.87 1pgp h LEU 115 N -0.47 0.73 -0.43 1.55 3.38 -1.10 -2.79 115.31 116.19 1pgp h LEU 115 Ca 0.07 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1pgp h LEU 115 Cb 0.57 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1pgp h LEU 115 CO -0.30 0.72 0.12 0.50 0.09 0.00 0.00 178.44 179.56 1pgp h LYS 116 N 0.76 0.26 -0.00 1.13 3.64 -0.21 0.80 116.57 122.94 1pgp h LYS 116 Ca 0.17 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1pgp h LYS 116 Cb 0.28 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1pgp h LYS 116 CO -0.00 0.17 -0.01 -0.40 -2.27 0.00 0.00 179.45 176.93 1pgp n ASP 117 N -5.06 0.47 -0.88 4.20 5.68 -0.84 -1.45 116.55 118.67 1pgp n ASP 117 Ca 0.03 -1.05 0.10 0.00 -0.50 0.00 0.00 54.79 53.37 1pgp n ASP 117 Cb 0.18 -0.02 0.27 0.00 -1.14 0.00 0.00 41.12 40.41 1pgp n ASP 117 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pgp n LYS 118 N -0.68 2.12 -0.88 0.11 5.02 0.18 -4.94 118.16 119.10 1pgp n LYS 118 Ca 0.21 -1.72 0.00 0.00 -2.02 0.00 0.00 58.31 54.78 1pgp n LYS 118 Cb 0.20 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 1pgp n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgp n GLY 119 N 1.30 0.94 3.71 0.72 0.00 -0.53 -4.88 105.19 106.45 1pgp n GLY 119 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1pgp n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgp s ILE 120 N -3.74 5.28 -0.26 -0.61 -1.09 -0.64 -0.61 121.20 119.52 1pgp s ILE 120 Ca 0.00 0.59 -0.19 0.00 -2.23 0.00 0.00 60.65 58.82 1pgp s ILE 120 Cb 0.00 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1pgp s ILE 120 CO 0.00 0.35 0.59 -0.76 -1.23 0.00 0.00 174.94 173.89 1pgp s LEU 121 N 0.70 4.07 0.01 2.97 1.02 0.21 -2.99 118.68 124.67 1pgp s LEU 121 Ca 0.17 0.59 0.02 0.00 0.02 0.00 0.00 54.13 54.93 1pgp s LEU 121 Cb -0.13 -2.78 -0.04 0.00 0.02 0.00 0.00 46.19 43.26 1pgp s LEU 121 CO 0.05 -0.36 0.02 0.12 0.02 0.00 0.00 176.35 176.20 1pgp s PHE 122 N 2.45 3.10 -0.09 0.29 5.36 -1.26 -1.80 117.98 126.03 1pgp s PHE 122 Ca 0.24 0.09 -0.04 0.00 -0.96 0.00 0.00 56.93 56.26 1pgp s PHE 122 Cb -0.15 -1.66 0.04 0.00 -0.34 0.00 0.00 43.02 40.90 1pgp s PHE 122 CO 0.09 0.48 0.20 0.54 -1.46 0.00 0.00 175.22 175.07 1pgp s VAL 123 N -1.14 -0.04 -0.28 3.12 0.11 -0.88 -1.08 120.40 120.21 1pgp s VAL 123 Ca 0.21 0.16 -0.10 0.00 -2.93 0.00 0.00 61.98 59.32 1pgp s VAL 123 Cb -0.12 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 1pgp s VAL 123 CO 0.12 0.06 0.15 -0.83 -3.33 0.00 0.00 175.10 171.28 1pgp s GLY 124 N 1.19 1.88 -0.06 6.54 0.00 0.85 -0.65 107.32 117.07 1pgp s GLY 124 Ca -0.09 -1.15 0.03 0.00 0.00 0.00 0.00 44.72 43.51 1pgp s GLY 124 CO -0.07 0.63 -0.12 -0.45 0.00 0.00 0.00 173.10 173.09 1pgp s SER 125 N 1.70 4.24 0.13 1.64 0.15 0.25 -1.69 113.70 120.13 1pgp s SER 125 Ca 0.07 -0.14 -0.19 0.00 0.70 0.00 0.00 55.95 56.38 1pgp s SER 125 Cb -0.16 -0.98 -0.07 0.00 -1.71 0.00 0.00 66.02 63.10 1pgp s SER 125 CO 0.08 0.35 0.63 -0.83 1.20 0.00 0.00 173.24 174.67 1pgp s GLY 126 N -0.73 2.66 -0.05 9.45 0.00 -0.50 -4.07 107.32 114.08 1pgp s GLY 126 Ca 0.11 0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.98 1pgp s GLY 126 CO 0.01 0.48 -0.24 0.14 0.00 0.00 0.00 173.10 173.50 1pgp s VAL 127 N -1.26 1.94 0.03 1.40 1.01 -1.26 -1.11 120.40 121.14 1pgp s VAL 127 Ca 0.34 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1pgp s VAL 127 Cb -0.19 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 1pgp s VAL 127 CO 0.21 0.54 -0.11 -0.55 0.00 0.00 0.00 175.10 175.19 1pgp s SER 128 N -0.21 1.23 0.00 3.32 0.15 -0.33 -4.88 113.70 112.97 1pgp s SER 128 Ca -0.01 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1pgp s SER 128 Cb -0.13 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1pgp s SER 128 CO 0.03 -0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1pgp n GLY 129 N 2.08 1.28 6.54 9.45 0.00 -1.26 -1.51 105.19 121.77 1pgp n GLY 129 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1pgp n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgp n GLY 130 N 0.00 -1.92 0.34 -0.02 0.00 -1.26 -3.49 105.19 98.83 1pgp n GLY 130 Ca 0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1pgp n GLY 130 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pgp h GLU 131 N 0.00 -0.37 -0.00 1.61 5.08 -1.96 0.14 114.58 119.07 1pgp h GLU 131 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1pgp h GLU 131 Cb 0.02 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1pgp h GLU 131 CO 0.00 -0.25 -0.18 -0.40 -1.00 0.00 0.00 179.01 177.18 1pgp n ASP 132 N -4.62 0.35 0.08 1.42 5.75 -1.26 -1.91 116.55 116.36 1pgp n ASP 132 Ca -0.04 -0.19 -0.12 0.00 -0.01 0.00 0.00 54.79 54.43 1pgp n ASP 132 Cb 0.27 -0.11 -0.08 0.00 -1.03 0.00 0.00 41.12 40.16 1pgp n ASP 132 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1pgp h GLY 133 N 4.98 -0.25 0.37 6.12 0.00 -1.46 -2.67 103.07 110.16 1pgp h GLY 133 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 47.33 47.57 1pgp h GLY 133 CO 0.00 -0.09 0.63 0.00 0.00 0.00 0.00 176.54 177.08 1pgp h ALA 134 N -0.10 1.57 -0.12 3.60 0.00 -0.64 0.28 119.26 123.84 1pgp h ALA 134 Ca -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1pgp h ALA 134 Cb 0.51 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pgp h ALA 134 CO 0.04 0.15 0.01 -0.09 0.00 0.00 0.00 179.25 179.36 1pgp h ARG 135 N 0.93 0.21 -0.05 0.00 9.65 -1.38 -3.37 114.38 120.37 1pgp h ARG 135 Ca 0.52 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.34 1pgp h ARG 135 Cb 0.61 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1pgp h ARG 135 CO -0.30 0.42 0.00 0.66 2.80 0.00 0.00 179.97 183.55 1pgp n TYR 136 N -4.81 0.07 0.00 2.20 4.01 -1.01 -4.06 117.16 113.55 1pgp n TYR 136 Ca -0.06 -0.28 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 1pgp n TYR 136 Cb 0.19 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.19 1pgp n TYR 136 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pgp n GLY 137 N -0.05 -0.44 3.93 2.72 0.00 0.94 -4.84 105.19 107.45 1pgp n GLY 137 Ca 0.02 0.41 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 1pgp n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pgp s PRO 138 N 0.00 1.48 -0.21 1.61 0.04 -0.87 -3.86 135.00 133.19 1pgp s PRO 138 Ca 0.00 -0.38 -0.08 0.00 0.04 0.00 0.00 61.00 60.58 1pgp s PRO 138 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1pgp s PRO 138 CO 0.00 -1.79 0.08 0.45 0.04 0.00 0.00 177.00 175.78 1pgp s SER 139 N -4.71 5.53 -0.07 6.66 0.15 -0.57 -0.82 113.70 119.88 1pgp s SER 139 Ca 0.67 -0.00 0.05 0.00 0.70 0.00 0.00 55.95 57.37 1pgp s SER 139 Cb -0.07 -1.97 -0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1pgp s SER 139 CO 0.49 0.10 -0.23 -0.76 1.20 0.00 0.00 173.24 174.04 1pgp s LEU 140 N 0.81 2.03 -0.61 3.45 1.43 -0.79 -1.19 118.68 123.81 1pgp s LEU 140 Ca 0.04 -0.49 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1pgp s LEU 140 Cb -0.13 -1.30 0.17 0.00 0.03 0.00 0.00 46.19 44.96 1pgp s LEU 140 CO 0.02 0.19 0.44 -0.04 0.23 0.00 0.00 176.35 177.20 1pgp s MET 141 N 0.08 1.97 0.19 1.70 -1.94 -0.27 -4.02 119.30 117.01 1pgp s MET 141 Ca -0.09 -2.96 -0.28 0.00 -1.71 0.00 0.00 55.69 50.65 1pgp s MET 141 Cb -0.15 -2.80 -0.08 0.00 2.01 0.00 0.00 34.83 33.81 1pgp s MET 141 CO 0.05 -1.32 0.86 -1.25 -0.01 0.00 0.00 175.02 173.36 1pgp s PRO 142 N -0.98 4.70 0.06 2.03 0.04 -1.26 -1.41 135.00 138.18 1pgp s PRO 142 Ca 0.27 1.32 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 1pgp s PRO 142 Cb -0.02 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.26 1pgp s PRO 142 CO -0.17 0.51 0.35 0.20 0.04 0.00 0.00 177.00 177.92 1pgp s GLY 143 N -1.02 -0.19 0.00 0.56 0.00 -0.68 -1.25 107.32 104.75 1pgp s GLY 143 Ca 0.39 0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1pgp s GLY 143 CO 0.29 -0.17 0.00 0.61 0.00 0.00 0.00 173.10 173.83 1pgp n GLY 144 N 0.40 -0.32 3.40 0.20 0.00 -0.91 -0.10 105.19 107.86 1pgp n GLY 144 Ca -0.18 0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1pgp n GLY 144 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pgp s ASN 145 N -4.00 5.30 0.42 1.61 3.84 -0.24 -1.58 114.94 120.30 1pgp s ASN 145 Ca 0.00 -0.55 0.30 0.00 0.21 0.00 0.00 52.86 52.82 1pgp s ASN 145 Cb 0.00 -1.94 1.41 0.00 -0.55 0.00 0.00 41.25 40.17 1pgp s ASN 145 CO 0.00 -0.17 1.89 0.50 -2.79 0.00 0.00 177.10 176.54 1pgp h LYS 146 N 8.28 0.00 0.00 0.43 3.64 -1.93 -2.67 116.57 124.32 1pgp h LYS 146 Ca -0.33 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1pgp h LYS 146 Cb 1.14 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1pgp h LYS 146 CO 0.60 0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.69 1pgp h GLU 147 N 0.00 0.00 -0.21 1.90 5.08 -1.97 -2.05 114.58 117.34 1pgp h GLU 147 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1pgp h GLU 147 Cb 0.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1pgp h GLU 147 CO 0.00 0.02 -0.25 0.00 -1.00 0.00 0.00 179.01 177.79 1pgp h ALA 148 N 1.98 0.31 -0.55 3.43 0.00 -1.85 -3.40 119.26 119.19 1pgp h ALA 148 Ca -0.00 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.63 1pgp h ALA 148 Cb 0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 17.69 1pgp h ALA 148 CO 0.00 0.29 -0.31 2.35 0.00 0.00 0.00 179.25 181.58 1pgp h TRP 149 N 0.21 -0.84 -0.10 0.00 -0.00 -1.53 0.57 115.95 114.27 1pgp h TRP 149 Ca 0.03 0.07 0.03 0.00 -0.00 0.00 0.00 58.89 59.01 1pgp h TRP 149 Cb 0.81 0.45 -0.00 0.00 -0.00 0.00 0.00 29.16 30.42 1pgp h TRP 149 CO 0.08 -0.37 0.15 -1.00 -0.00 0.00 0.00 178.44 177.31 1pgp h PRO 150 N -0.16 0.00 0.00 2.65 0.13 -1.77 0.85 132.00 133.70 1pgp h PRO 150 Ca 0.23 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.14 1pgp h PRO 150 Cb 0.54 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.64 1pgp h PRO 150 CO -0.64 0.00 -1.03 0.45 -0.23 0.00 0.00 178.00 176.55 1pgp h HIS 151 N 0.00 0.00 0.00 1.56 3.86 -1.13 -3.34 115.15 116.11 1pgp h HIS 151 Ca 0.05 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1pgp h HIS 151 Cb 0.36 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1pgp h HIS 151 CO 0.00 1.00 -1.40 0.44 0.86 0.00 0.00 177.93 178.83 1pgp n ILE 152 N -3.34 0.00 -0.21 2.45 -5.35 -0.73 -4.67 119.36 107.51 1pgp n ILE 152 Ca -0.01 -0.27 0.01 0.00 -0.27 0.00 0.00 62.75 62.21 1pgp n ILE 152 Cb 0.94 0.49 0.09 0.00 -1.74 0.00 0.00 39.64 39.42 1pgp n ILE 152 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1pgp h LYS 153 N 0.00 0.04 -0.78 6.28 3.64 -0.98 -0.99 116.57 123.78 1pgp h LYS 153 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1pgp h LYS 153 Cb 0.66 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 1pgp h LYS 153 CO 0.00 0.03 0.37 0.00 -2.27 0.00 0.00 179.45 177.58 1pgp h ALA 154 N 1.62 1.18 0.22 5.00 0.00 -1.83 0.14 119.26 125.59 1pgp h ALA 154 Ca 0.32 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1pgp h ALA 154 Cb 0.51 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1pgp h ALA 154 CO -0.61 0.62 -0.10 0.82 0.00 0.00 0.00 179.25 179.98 1pgp h ILE 155 N 1.11 0.77 -0.29 0.00 2.04 -1.59 -2.33 117.51 117.23 1pgp h ILE 155 Ca 0.27 -0.93 0.02 0.00 1.00 0.00 0.00 64.86 65.22 1pgp h ILE 155 Cb 0.12 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 1pgp h ILE 155 CO -0.03 0.18 0.13 -0.26 0.00 0.00 0.00 178.15 178.16 1pgp h PHE 156 N -0.83 0.24 0.00 1.37 -1.00 -1.07 -0.97 116.94 114.68 1pgp h PHE 156 Ca -0.03 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.76 1pgp h PHE 156 Cb 0.51 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1pgp h PHE 156 CO 0.06 0.12 0.00 1.96 -1.61 0.00 0.00 178.31 178.84 1pgp h GLN 157 N 0.28 0.00 0.13 1.51 4.20 -1.09 -2.62 115.11 117.52 1pgp h GLN 157 Ca 0.12 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.64 1pgp h GLN 157 Cb 0.06 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.86 1pgp h GLN 157 CO -0.10 0.00 -0.85 0.78 -0.67 0.00 0.00 178.83 177.99 1pgp h GLY 158 N 4.11 0.40 2.00 3.46 0.00 -0.76 -3.32 103.07 108.96 1pgp h GLY 158 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1pgp h GLY 158 CO 0.00 0.83 0.00 0.16 0.00 0.00 0.00 176.54 177.53 1pgp h ILE 159 N -0.27 0.00 -4.24 2.60 3.07 -1.23 -3.47 117.51 113.98 1pgp h ILE 159 Ca -0.14 -0.64 -0.52 0.00 1.55 0.00 0.00 64.86 65.11 1pgp h ILE 159 Cb 1.65 1.60 0.13 0.00 -0.27 0.00 0.00 36.82 39.93 1pgp h ILE 159 CO 0.16 0.00 0.34 0.00 -1.05 0.00 0.00 178.15 177.60 1pgp s ALA 160 N -3.24 2.23 0.69 0.16 0.00 -0.99 -3.58 121.76 117.02 1pgp s ALA 160 Ca 0.07 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.40 1pgp s ALA 160 Cb 0.09 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.88 1pgp s ALA 160 CO 0.59 -1.70 1.22 0.00 0.00 0.00 0.00 175.76 175.87 1pgp s ALA 161 N -2.48 2.26 -0.04 0.00 0.00 0.00 -4.72 121.76 116.78 1pgp s ALA 161 Ca 0.66 0.95 0.07 0.00 0.00 0.00 0.00 51.96 53.64 1pgp s ALA 161 Cb -0.21 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1pgp s ALA 161 CO 0.48 -1.67 -0.25 0.15 0.00 0.00 0.00 175.76 174.48 1pgp s LYS 162 N -3.72 2.40 0.11 0.00 -0.14 -1.26 -0.26 119.74 116.88 1pgp s LYS 162 Ca 0.76 -0.91 -0.23 0.00 -1.36 0.00 0.00 55.97 54.23 1pgp s LYS 162 Cb -0.30 -2.13 -0.07 0.00 -1.68 0.00 0.00 37.83 33.65 1pgp s LYS 162 CO 0.42 0.45 0.71 0.08 -0.76 0.00 0.00 175.35 176.24 1pgp s VAL 163 N -0.33 4.57 0.41 3.17 1.01 -0.24 -4.96 120.40 124.03 1pgp s VAL 163 Ca 0.02 1.53 0.00 0.00 0.00 0.00 0.00 61.98 63.53 1pgp s VAL 163 Cb -0.12 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1pgp s VAL 163 CO 0.02 0.50 0.77 0.61 0.00 0.00 0.00 175.10 177.00 1pgp n GLY 164 N 1.82 -0.31 0.49 4.51 0.00 -1.26 0.45 105.19 110.89 1pgp n GLY 164 Ca -0.06 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 1pgp n GLY 164 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pgp n THR 165 N -1.88 0.20 0.00 2.61 -2.24 -1.26 -4.93 114.28 106.77 1pgp n THR 165 Ca 0.00 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1pgp n THR 165 Cb 0.77 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1pgp n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgp n GLY 166 N 1.08 2.16 3.76 3.38 0.00 0.17 -5.04 105.19 110.69 1pgp n GLY 166 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1pgp n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pgp s GLU 167 N -0.34 4.29 0.45 1.61 8.01 -1.23 -4.73 118.70 126.76 1pgp s GLU 167 Ca 0.00 2.30 -0.23 0.00 0.01 0.00 0.00 54.97 57.05 1pgp s GLU 167 Cb 0.00 -3.07 -0.08 0.00 -4.31 0.00 0.00 34.13 26.67 1pgp s GLU 167 CO 0.00 -0.32 1.11 -1.25 0.01 0.00 0.00 175.26 174.81 1pgp s PRO 168 N -1.31 3.86 -1.24 0.39 0.04 -1.26 -1.08 135.00 134.40 1pgp s PRO 168 Ca 0.53 1.63 -0.07 0.00 0.04 0.00 0.00 61.00 63.13 1pgp s PRO 168 Cb -0.41 -2.38 0.19 0.00 0.04 0.00 0.00 34.50 31.94 1pgp s PRO 168 CO 0.51 -0.43 1.91 0.00 0.04 0.00 0.00 177.00 179.02 1pgp s ASP 171 N 1.32 -0.30 0.01 0.00 2.15 -1.26 -4.84 116.67 113.76 1pgp s ASP 171 Ca -0.06 -0.33 -0.30 0.00 0.43 0.00 0.00 52.55 52.30 1pgp s ASP 171 Cb -0.02 0.56 -0.07 0.00 -0.30 0.00 0.00 42.92 43.09 1pgp s ASP 171 CO -0.11 -1.00 1.62 0.86 -0.17 0.00 0.00 175.17 176.37 1pgp s TRP 172 N -3.52 2.31 -0.10 -5.34 -0.11 -1.26 -4.18 118.94 106.73 1pgp s TRP 172 Ca 0.09 0.34 -0.19 0.00 1.22 0.00 0.00 56.10 57.55 1pgp s TRP 172 Cb -0.03 -3.90 -0.28 0.00 -1.50 0.00 0.00 33.47 27.76 1pgp s TRP 172 CO -0.01 -3.67 0.65 0.28 -4.62 0.00 0.00 176.95 169.58 1pgp h VAL 173 N 5.12 1.23 0.00 5.86 2.07 -1.53 -3.48 116.25 125.51 1pgp h VAL 173 Ca -0.41 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 64.69 1pgp h VAL 173 Cb 1.19 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 1pgp h VAL 173 CO 0.93 0.67 0.00 0.61 0.02 0.00 0.00 177.57 179.80 1pgp n GLY 174 N 1.68 -1.82 3.60 2.17 0.00 -1.26 -4.59 105.19 104.97 1pgp n GLY 174 Ca -0.21 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 1pgp n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgp s ASP 175 N -2.17 2.00 0.00 1.61 1.11 -1.26 -2.13 116.67 115.84 1pgp s ASP 175 Ca 0.00 1.42 0.00 0.00 0.18 0.00 0.00 52.55 54.15 1pgp s ASP 175 Cb 0.00 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.86 1pgp s ASP 175 CO 0.00 -3.55 0.00 0.47 1.18 0.00 0.00 175.17 173.27 1pgp n ASP 176 N -4.48 0.00 -1.50 0.27 8.00 -0.61 -1.16 116.55 117.06 1pgp n ASP 176 Ca 0.05 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.63 1pgp n ASP 176 Cb 0.55 0.00 0.33 0.00 -0.02 0.00 0.00 41.12 41.98 1pgp n ASP 176 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pgp n GLY 177 N 0.00 2.49 0.23 0.44 0.00 -1.26 -2.52 105.19 104.57 1pgp n GLY 177 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1pgp n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgp h ALA 178 N 3.98 0.77 -0.48 4.61 0.00 -1.39 0.76 119.26 127.50 1pgp h ALA 178 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pgp h ALA 178 Cb 1.39 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1pgp h ALA 178 CO 0.24 -0.23 0.19 0.78 0.00 0.00 0.00 179.25 180.23 1pgp h GLY 179 N 0.36 0.77 1.77 0.00 0.00 -1.78 -0.28 103.07 103.92 1pgp h GLY 179 Ca 0.31 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1pgp h GLY 179 CO -0.33 0.40 -0.49 0.45 0.00 0.00 0.00 176.54 176.56 1pgp h HIS 180 N 0.63 0.30 -0.42 5.60 3.86 -1.64 -0.86 115.15 122.62 1pgp h HIS 180 Ca 0.16 -0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 59.12 1pgp h HIS 180 Cb 0.20 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 1pgp h HIS 180 CO 0.00 0.70 -0.33 0.35 0.86 0.00 0.00 177.93 179.51 1pgp h PHE 181 N 0.20 1.13 -0.62 2.45 3.04 -0.54 -1.66 116.94 120.94 1pgp h PHE 181 Ca 0.01 -0.32 -0.09 0.00 3.98 0.00 0.00 57.97 61.55 1pgp h PHE 181 Cb 0.94 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 1pgp h PHE 181 CO 0.02 1.15 0.05 0.28 -2.02 0.00 0.00 178.31 177.79 1pgp h VAL 182 N 0.79 1.26 -0.48 1.41 2.07 -0.84 -1.10 116.25 119.36 1pgp h VAL 182 Ca 0.08 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 1pgp h VAL 182 Cb 0.92 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1pgp h VAL 182 CO 0.09 0.40 0.29 0.50 0.02 0.00 0.00 177.57 178.86 1pgp h LYS 183 N 0.97 0.66 -0.20 1.57 1.63 -1.01 0.86 116.57 121.05 1pgp h LYS 183 Ca 0.18 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1pgp h LYS 183 Cb 0.49 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 1pgp h LYS 183 CO 0.02 0.49 0.11 1.98 -3.45 0.00 0.00 179.45 178.60 1pgp h MET 184 N 0.64 0.27 -0.26 1.90 4.05 -1.03 -1.86 114.93 118.64 1pgp h MET 184 Ca 0.17 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1pgp h MET 184 Cb 0.00 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1pgp h MET 184 CO -0.03 0.24 -0.11 0.28 0.23 0.00 0.00 176.91 177.52 1pgp h VAL 185 N 0.23 1.21 -0.23 -5.77 2.07 -0.53 -0.84 116.25 112.38 1pgp h VAL 185 Ca 0.07 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1pgp h VAL 185 Cb 0.04 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1pgp h VAL 185 CO -0.01 0.30 -0.11 -0.74 0.02 0.00 0.00 177.57 177.03 1pgp h HIS 186 N 0.39 -0.25 -0.57 1.57 6.17 -0.32 0.20 115.15 122.33 1pgp h HIS 186 Ca 0.08 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.13 1pgp h HIS 186 Cb 0.43 0.15 -0.03 0.00 2.52 0.00 0.00 27.41 30.48 1pgp h HIS 186 CO 0.01 -0.17 0.16 -0.91 0.71 0.00 0.00 177.93 177.74 1pgp h ASN 187 N -0.08 0.81 -0.09 3.26 4.21 -0.42 -0.92 115.58 122.35 1pgp h ASN 187 Ca 0.12 -0.14 0.02 0.00 1.21 0.00 0.00 56.30 57.52 1pgp h ASN 187 Cb 0.26 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 1pgp h ASN 187 CO -0.28 0.78 -0.04 1.23 -1.29 0.00 0.00 177.43 177.82 1pgp h GLY 188 N 0.99 0.04 1.87 2.83 0.00 -0.44 -0.54 103.07 107.82 1pgp h GLY 188 Ca 0.19 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.52 1pgp h GLY 188 CO -0.01 -0.06 -0.18 -2.22 0.00 0.00 0.00 176.54 174.08 1pgp h ILE 189 N -0.03 1.18 -0.38 2.60 2.04 -0.54 -1.86 117.51 120.52 1pgp h ILE 189 Ca 0.05 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1pgp h ILE 189 Cb 0.11 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1pgp h ILE 189 CO -0.11 0.25 0.14 -0.08 0.00 0.00 0.00 178.15 178.35 1pgp h GLU 190 N 0.16 0.57 -0.61 2.37 4.81 -0.38 -1.64 114.58 119.86 1pgp h GLU 190 Ca 0.03 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1pgp h GLU 190 Cb 0.41 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1pgp h GLU 190 CO 0.03 0.56 0.32 1.88 -0.73 0.00 0.00 179.01 181.07 1pgp h TYR 191 N 0.47 0.59 -0.14 0.92 -1.99 -0.35 -1.22 116.97 115.24 1pgp h TYR 191 Ca 0.13 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.88 1pgp h TYR 191 Cb 0.21 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 1pgp h TYR 191 CO 0.00 0.28 0.09 0.78 -0.00 0.00 0.00 178.16 179.31 1pgp h GLY 192 N 0.60 0.21 1.37 3.88 0.00 -1.08 -0.76 103.07 107.29 1pgp h GLY 192 Ca 0.27 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1pgp h GLY 192 CO -0.18 0.09 0.02 -0.55 0.00 0.00 0.00 176.54 175.91 1pgp h ASP 193 N 0.16 0.74 -0.31 0.19 3.32 -1.07 -0.19 116.42 119.26 1pgp h ASP 193 Ca 0.05 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1pgp h ASP 193 Cb 0.03 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1pgp h ASP 193 CO -0.01 0.79 0.06 0.24 -1.72 0.00 0.00 179.24 178.60 1pgp h MET 194 N 0.72 0.50 -0.64 3.56 2.86 -1.01 -2.34 114.93 118.59 1pgp h MET 194 Ca 0.15 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1pgp h MET 194 Cb 0.42 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1pgp h MET 194 CO 0.02 0.59 0.27 0.37 1.06 0.00 0.00 176.91 179.22 1pgp h GLN 195 N 0.33 0.94 -0.39 1.72 5.75 -0.75 -1.37 115.11 121.34 1pgp h GLN 195 Ca 0.09 -0.16 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1pgp h GLN 195 Cb 0.33 -0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 1pgp h GLN 195 CO 0.00 0.77 0.11 -0.07 -2.65 0.00 0.00 178.83 177.00 1pgp h LEU 196 N 0.89 0.08 -0.57 -2.39 3.38 -0.96 -1.59 115.31 114.14 1pgp h LEU 196 Ca 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1pgp h LEU 196 Cb 0.17 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1pgp h LEU 196 CO -0.02 0.08 0.33 0.40 0.09 0.00 0.00 178.44 179.32 1pgp h ILE 197 N 0.25 1.17 -0.88 1.22 2.04 -1.08 -1.64 117.51 118.60 1pgp h ILE 197 Ca 0.18 -0.41 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1pgp h ILE 197 Cb 0.19 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 1pgp h ILE 197 CO -0.21 0.18 0.58 0.00 0.00 0.00 0.00 178.15 178.70 1pgp h GLU 199 N 1.13 0.64 -0.31 0.00 5.08 -0.59 -0.35 114.58 120.18 1pgp h GLU 199 Ca 0.34 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 1pgp h GLU 199 Cb -0.02 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1pgp h GLU 199 CO -0.10 0.85 0.02 0.00 -1.00 0.00 0.00 179.01 178.79 1pgp h ALA 200 N 0.77 0.30 -0.63 3.43 0.00 -0.91 -1.65 119.26 120.57 1pgp h ALA 200 Ca 0.07 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1pgp h ALA 200 Cb 0.65 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1pgp h ALA 200 CO 0.04 -0.38 0.32 -0.92 0.00 0.00 0.00 179.25 178.31 1pgp h TYR 201 N 0.12 0.59 -0.84 0.00 3.20 -1.05 -1.76 116.97 117.22 1pgp h TYR 201 Ca 0.15 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1pgp h TYR 201 Cb 0.19 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 1pgp h TYR 201 CO -0.21 0.25 0.40 1.25 -1.64 0.00 0.00 178.16 178.22 1pgp h HIS 202 N 0.59 1.22 -0.62 -3.82 2.76 -0.45 -1.09 115.15 113.74 1pgp h HIS 202 Ca 0.29 -0.06 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 1pgp h HIS 202 Cb 0.24 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1pgp h HIS 202 CO -0.10 0.88 0.04 -0.07 -1.30 0.00 0.00 177.93 177.38 1pgp h LEU 203 N 1.20 1.01 0.07 0.26 3.38 -0.47 -1.29 115.31 119.47 1pgp h LEU 203 Ca 0.29 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1pgp h LEU 203 Cb 0.12 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1pgp h LEU 203 CO -0.04 1.04 -0.03 0.24 0.09 0.00 0.00 178.44 179.74 1pgp h MET 204 N 0.97 -0.09 0.87 1.13 2.86 -1.19 -0.36 114.93 119.12 1pgp h MET 204 Ca 0.18 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 1pgp h MET 204 Cb 0.50 0.02 0.01 0.00 0.06 0.00 0.00 31.60 32.18 1pgp h MET 204 CO 0.02 0.11 -0.44 -0.22 1.06 0.00 0.00 176.91 177.45 1pgp h LYS 205 N -0.27 -1.15 0.00 1.72 3.64 -1.11 0.08 116.57 119.49 1pgp h LYS 205 Ca -0.01 0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1pgp h LYS 205 Cb 0.24 0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1pgp h LYS 205 CO 0.01 -0.76 -1.42 -0.25 -2.27 0.00 0.00 179.45 174.76 1pgp n ASP 206 N -5.61 0.87 -0.09 4.20 9.92 -0.50 -1.75 116.55 123.61 1pgp n ASP 206 Ca -0.15 0.39 -0.13 0.00 -0.53 0.00 0.00 54.79 54.36 1pgp n ASP 206 Cb 0.48 0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 41.03 1pgp n ASP 206 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1pgp n VAL 207 N -2.90 1.47 0.51 2.53 0.31 -0.19 -4.52 118.33 115.53 1pgp n VAL 207 Ca -0.10 0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.45 1pgp n VAL 207 Cb 0.85 -2.23 0.36 0.00 -0.91 0.00 0.00 33.84 31.91 1pgp n VAL 207 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1pgp h LEU 208 N -1.00 0.00 1.30 7.52 4.07 -1.27 -3.43 115.31 122.50 1pgp h LEU 208 Ca -0.17 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.58 1pgp h LEU 208 Cb 0.90 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.62 1pgp h LEU 208 CO -0.10 0.00 -0.25 0.61 -1.08 0.00 0.00 178.44 177.61 1pgp n GLY 209 N 1.15 0.16 3.73 0.83 0.00 -0.03 -4.96 105.19 106.08 1pgp n GLY 209 Ca 0.05 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 1pgp n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgp s LEU 210 N -2.85 4.49 0.84 0.99 1.02 -0.90 -5.00 118.68 117.27 1pgp s LEU 210 Ca 0.00 1.70 -0.12 0.00 0.02 0.00 0.00 54.13 55.73 1pgp s LEU 210 Cb 0.00 -3.49 0.10 0.00 0.02 0.00 0.00 46.19 42.82 1pgp s LEU 210 CO 0.00 -0.04 1.12 -0.83 0.02 0.00 0.00 176.35 176.62 1pgp s GLY 211 N -0.02 1.60 0.53 -3.19 0.00 -1.26 -4.48 107.32 100.49 1pgp s GLY 211 Ca 0.45 -0.40 0.31 0.00 0.00 0.00 0.00 44.72 45.07 1pgp s GLY 211 CO 0.28 0.08 1.98 0.45 0.00 0.00 0.00 173.10 175.89 1pgp h HIS 212 N -1.23 0.00 -0.12 1.90 3.86 -1.97 -1.63 115.15 115.95 1pgp h HIS 212 Ca -0.48 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.67 1pgp h HIS 212 Cb 1.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.77 1pgp h HIS 212 CO 0.38 0.08 -0.13 0.87 0.86 0.00 0.00 177.93 179.98 1pgp h LYS 213 N 0.00 0.31 -0.31 2.45 1.57 -1.93 0.81 116.57 119.48 1pgp h LYS 213 Ca -0.00 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 1pgp h LYS 213 Cb 0.52 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1pgp h LYS 213 CO 0.01 0.72 -0.34 0.93 -0.57 0.00 0.00 179.45 180.20 1pgp h GLU 214 N -0.09 0.67 -0.62 3.15 3.07 -1.86 -0.81 114.58 118.10 1pgp h GLU 214 Ca 0.02 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.56 1pgp h GLU 214 Cb 0.66 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.54 1pgp h GLU 214 CO 0.03 0.91 0.36 1.98 -1.40 0.00 0.00 179.01 180.89 1pgp h MET 215 N 0.57 0.85 -0.21 2.33 4.05 -1.29 0.94 114.93 122.16 1pgp h MET 215 Ca 0.06 -0.09 -0.12 0.00 -0.28 0.00 0.00 59.70 59.28 1pgp h MET 215 Cb 0.85 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 1pgp h MET 215 CO 0.07 0.63 -0.36 0.00 0.23 0.00 0.00 176.91 177.48 1pgp h ALA 216 N 1.17 0.99 -0.83 0.39 0.00 -0.29 -1.90 119.26 118.80 1pgp h ALA 216 Ca 0.22 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1pgp h ALA 216 Cb 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1pgp h ALA 216 CO -0.04 0.61 0.41 -0.22 0.00 0.00 0.00 179.25 180.01 1pgp h LYS 217 N 0.38 1.18 -0.31 0.00 3.64 -0.44 -0.40 116.57 120.63 1pgp h LYS 217 Ca 0.04 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.20 1pgp h LYS 217 Cb 0.81 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1pgp h LYS 217 CO 0.07 0.90 -0.03 0.00 -2.27 0.00 0.00 179.45 178.12 1pgp h ALA 218 N 1.22 0.42 -0.55 5.00 0.00 -0.49 -2.32 119.26 122.53 1pgp h ALA 218 Ca 0.29 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pgp h ALA 218 Cb 0.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1pgp h ALA 218 CO -0.04 0.20 0.34 0.74 0.00 0.00 0.00 179.25 180.49 1pgp h PHE 219 N 0.34 0.72 -0.87 0.00 0.04 -1.08 -2.13 116.94 113.96 1pgp h PHE 219 Ca 0.08 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.90 1pgp h PHE 219 Cb 0.49 -0.24 -0.06 0.00 2.20 0.00 0.00 35.95 38.35 1pgp h PHE 219 CO 0.04 0.49 0.56 0.93 -0.60 0.00 0.00 178.31 179.73 1pgp h GLU 220 N 0.74 1.03 -0.56 1.51 5.08 -0.84 -1.01 114.58 120.52 1pgp h GLU 220 Ca 0.20 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1pgp h GLU 220 Cb -0.03 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 28.96 1pgp h GLU 220 CO -0.04 0.68 0.36 0.93 -1.00 0.00 0.00 179.01 179.94 1pgp h GLU 221 N 1.06 0.71 -0.21 2.33 4.39 -1.22 -2.72 114.58 118.92 1pgp h GLU 221 Ca 0.36 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.97 1pgp h GLU 221 Cb 0.07 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1pgp h GLU 221 CO -0.14 0.47 -0.09 -1.49 -1.16 0.00 0.00 179.01 176.60 1pgp h TRP 222 N 0.73 0.34 0.00 4.33 4.06 -0.61 -0.50 115.95 124.30 1pgp h TRP 222 Ca 0.22 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.13 1pgp h TRP 222 Cb -0.04 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 28.02 1pgp h TRP 222 CO -0.05 0.42 0.00 -1.71 -3.56 0.00 0.00 178.44 173.54 1pgp n ASN 223 N -4.28 0.00 -0.69 -3.49 5.15 -0.49 -1.79 115.26 109.68 1pgp n ASN 223 Ca -0.00 0.49 0.12 0.00 -0.60 0.00 0.00 54.58 54.59 1pgp n ASN 223 Cb 0.26 -0.49 0.13 0.00 -0.53 0.00 0.00 39.78 39.15 1pgp n ASN 223 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pgp n LYS 224 N -1.49 1.75 0.00 1.20 5.02 -0.20 -3.96 118.16 120.47 1pgp n LYS 224 Ca 0.04 -1.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 1pgp n LYS 224 Cb 0.19 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1pgp n LYS 224 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pgp n THR 225 N 0.58 0.00 0.31 -0.18 -2.24 -0.74 -4.93 114.28 107.09 1pgp n THR 225 Ca 0.13 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 62.11 1pgp n THR 225 Cb 0.51 -0.25 1.01 0.00 -2.10 0.00 0.00 70.33 69.50 1pgp n THR 225 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1pgp h GLU 226 N 0.00 0.00 -0.02 -0.78 3.07 -1.93 -2.12 114.58 112.80 1pgp h GLU 226 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pgp h GLU 226 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pgp h GLU 226 CO 0.00 0.01 0.00 1.28 -1.40 0.00 0.00 179.01 178.90 1pgp n LEU 227 N -3.20 0.10 -4.51 1.33 4.77 -1.23 -4.64 117.00 109.62 1pgp n LEU 227 Ca -0.02 -0.05 -0.44 0.00 -0.03 0.00 0.00 56.01 55.47 1pgp n LEU 227 Cb 0.15 -0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1pgp n LEU 227 CO 0.23 0.02 1.91 -0.67 -1.33 0.00 0.00 177.39 177.56 1pgp n ASP 228 N -0.49 2.30 -3.82 -1.43 -0.08 -0.80 -4.60 116.55 107.64 1pgp n ASP 228 Ca 0.03 0.12 -0.09 0.00 -1.51 0.00 0.00 54.79 53.33 1pgp n ASP 228 Cb 0.03 -1.38 -0.05 0.00 2.34 0.00 0.00 41.12 42.06 1pgp n ASP 228 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1pgp s SER 229 N 8.89 -0.17 0.11 1.67 1.04 -1.26 -3.01 113.70 120.97 1pgp s SER 229 Ca 1.07 -0.62 -0.21 0.00 0.48 0.00 0.00 55.95 56.67 1pgp s SER 229 Cb -0.60 0.55 -0.08 0.00 0.10 0.00 0.00 66.02 66.00 1pgp s SER 229 CO 0.40 -1.04 1.73 0.15 0.98 0.00 0.00 173.24 175.47 1pgp h PHE 230 N 2.27 0.01 -0.61 5.02 3.57 -1.70 -1.54 116.94 123.96 1pgp h PHE 230 Ca -0.29 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.17 1pgp h PHE 230 Cb 1.25 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.98 1pgp h PHE 230 CO 0.37 -0.01 0.17 -0.07 -2.23 0.00 0.00 178.31 176.54 1pgp h LEU 231 N 0.05 0.88 -0.52 0.59 3.38 -1.82 -0.61 115.31 117.26 1pgp h LEU 231 Ca 0.06 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 1pgp h LEU 231 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1pgp h LEU 231 CO -0.09 0.84 -0.33 0.40 0.09 0.00 0.00 178.44 179.34 1pgp h ILE 232 N 0.91 1.28 0.21 1.22 1.08 -1.81 -2.17 117.51 118.23 1pgp h ILE 232 Ca 0.20 -1.50 -0.01 0.00 -0.39 0.00 0.00 64.86 63.16 1pgp h ILE 232 Cb 0.29 1.35 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1pgp h ILE 232 CO -0.00 0.50 -0.10 -0.08 -0.69 0.00 0.00 178.15 177.77 1pgp h GLU 233 N 0.70 -0.27 0.00 2.37 4.81 -0.64 -2.57 114.58 118.98 1pgp h GLU 233 Ca 0.07 0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1pgp h GLU 233 Cb 0.89 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1pgp h GLU 233 CO 0.08 -0.14 -0.47 -0.84 -0.73 0.00 0.00 179.01 176.92 1pgp h ILE 234 N -0.33 1.02 -0.95 2.32 3.07 -1.16 -2.23 117.51 119.25 1pgp h ILE 234 Ca -0.03 -1.82 0.00 0.00 1.55 0.00 0.00 64.86 64.57 1pgp h ILE 234 Cb 0.25 2.08 -0.05 0.00 -0.27 0.00 0.00 36.82 38.83 1pgp h ILE 234 CO 0.05 0.46 0.60 0.74 -1.05 0.00 0.00 178.15 178.95 1pgp h THR 235 N 0.00 1.25 -0.56 0.16 2.02 -1.22 0.25 112.91 114.81 1pgp h THR 235 Ca -0.00 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 1pgp h THR 235 Cb 1.04 -0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1pgp h THR 235 CO 0.06 0.26 0.26 0.00 0.37 0.00 0.00 175.52 176.47 1pgp h ALA 236 N 1.36 0.72 -0.32 6.16 0.00 -1.00 -1.40 119.26 124.79 1pgp h ALA 236 Ca 0.35 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1pgp h ALA 236 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1pgp h ALA 236 CO -0.07 0.29 0.15 0.77 0.00 0.00 0.00 179.25 180.40 1pgp h SER 237 N 0.76 0.22 -0.94 0.00 0.02 -1.05 -2.45 113.55 110.12 1pgp h SER 237 Ca 0.19 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1pgp h SER 237 Cb 0.13 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1pgp h SER 237 CO -0.02 0.17 0.62 0.40 -1.14 0.00 0.00 176.83 176.85 1pgp h ILE 238 N 0.32 1.23 -0.24 3.27 2.04 -0.49 -1.72 117.51 121.93 1pgp h ILE 238 Ca 0.13 -0.43 -0.13 0.00 1.00 0.00 0.00 64.86 65.43 1pgp h ILE 238 Cb 0.05 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.99 1pgp h ILE 238 CO -0.10 0.23 -0.38 -0.07 0.00 0.00 0.00 178.15 177.83 1pgp h LEU 239 N 1.26 0.57 -0.74 1.44 3.38 -1.08 -3.07 115.31 117.07 1pgp h LEU 239 Ca 0.34 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1pgp h LEU 239 Cb -0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1pgp h LEU 239 CO -0.08 0.89 -0.61 0.11 0.09 0.00 0.00 178.44 178.85 1pgp h LYS 240 N 0.45 0.00 -6.44 1.13 1.57 -0.96 -3.43 116.57 108.90 1pgp h LYS 240 Ca 0.04 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.27 1pgp h LYS 240 Cb 0.87 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.21 1pgp h LYS 240 CO 0.07 0.61 1.11 0.34 -0.57 0.00 0.00 179.45 181.00 1pgp n PHE 241 N -3.75 2.52 -4.68 -1.35 -0.00 -0.69 -4.97 117.46 104.54 1pgp n PHE 241 Ca -0.01 -0.13 -0.34 0.00 -0.00 0.00 0.00 57.45 56.97 1pgp n PHE 241 Cb 0.62 -2.72 -0.12 0.00 -0.00 0.00 0.00 39.48 37.26 1pgp n PHE 241 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1pgp s GLN 242 N 3.15 2.77 0.88 -4.13 -0.21 -1.26 -1.55 119.66 119.30 1pgp s GLN 242 Ca 0.85 -0.58 -0.12 0.00 0.02 0.00 0.00 55.36 55.53 1pgp s GLN 242 Cb -0.53 -2.56 0.16 0.00 1.00 0.00 0.00 33.01 31.07 1pgp s GLN 242 CO 0.41 0.62 1.22 0.34 -2.12 0.00 0.00 175.29 175.76 1pgp s ASP 243 N -0.69 3.69 0.62 5.90 2.15 0.31 -4.81 116.67 123.84 1pgp s ASP 243 Ca 0.10 0.28 0.30 0.00 0.43 0.00 0.00 52.55 53.66 1pgp s ASP 243 Cb -0.11 -0.50 1.65 0.00 -0.30 0.00 0.00 42.92 43.66 1pgp s ASP 243 CO 0.01 -2.36 2.00 0.00 -0.17 0.00 0.00 175.17 174.65 1pgp h ALA 244 N -1.28 1.68 -0.31 3.66 0.00 -2.00 -1.35 119.26 119.66 1pgp h ALA 244 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1pgp h ALA 244 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1pgp h ALA 244 CO 0.45 -0.41 0.00 -0.40 0.00 0.00 0.00 179.25 178.89 1pgp n ASP 245 N -3.39 2.04 0.00 0.00 5.75 -1.26 -4.93 116.55 114.77 1pgp n ASP 245 Ca 0.02 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1pgp n ASP 245 Cb 0.43 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1pgp n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pgp n GLY 246 N 1.16 2.74 3.86 6.12 0.00 -0.51 -5.03 105.19 113.52 1pgp n GLY 246 Ca 0.15 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1pgp n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgp s LYS 247 N 0.00 3.59 0.17 1.61 1.02 -1.26 -4.65 119.74 120.23 1pgp s LYS 247 Ca 0.00 0.81 -0.31 0.00 0.02 0.00 0.00 55.97 56.49 1pgp s LYS 247 Cb 0.00 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 1pgp s LYS 247 CO 0.00 -0.57 1.49 -1.01 -0.92 0.00 0.00 175.35 174.33 1pgp s HIS 248 N -3.06 3.10 0.11 3.18 3.76 -1.26 -0.53 115.29 120.58 1pgp s HIS 248 Ca 0.56 0.82 -0.11 0.00 -0.15 0.00 0.00 55.06 56.17 1pgp s HIS 248 Cb -0.11 -3.83 -0.13 0.00 1.11 0.00 0.00 32.58 29.62 1pgp s HIS 248 CO 0.50 -2.95 1.32 1.25 -0.85 0.00 0.00 174.74 174.01 1pgp h LEU 249 N 6.34 0.90 -0.33 0.89 5.85 -1.60 -3.38 115.31 123.97 1pgp h LEU 249 Ca -0.43 -0.59 0.07 0.00 0.84 0.00 0.00 57.88 57.77 1pgp h LEU 249 Cb 1.21 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.90 1pgp h LEU 249 CO 0.87 1.38 -0.12 0.25 -0.34 0.00 0.00 178.44 180.48 1pgp h LEU 250 N 0.51 -0.43 0.00 2.25 5.85 -1.81 -1.37 115.31 120.32 1pgp h LEU 250 Ca -0.05 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1pgp h LEU 250 Cb 1.40 0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.68 1pgp h LEU 250 CO 0.16 -0.15 0.00 -0.81 -0.34 0.00 0.00 178.44 177.29 1pgp n PRO 251 N -5.31 0.06 0.06 5.25 -0.04 -1.26 -1.23 135.00 132.53 1pgp n PRO 251 Ca 0.01 0.28 0.05 0.00 -0.04 0.00 0.00 63.50 63.80 1pgp n PRO 251 Cb 0.22 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.13 1pgp n PRO 251 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1pgp n LYS 252 N -1.36 0.62 -3.31 0.54 5.02 -0.52 -4.94 118.16 114.20 1pgp n LYS 252 Ca 0.03 0.17 -0.33 0.00 -2.02 0.00 0.00 58.31 56.16 1pgp n LYS 252 Cb 0.06 -1.81 -0.06 0.00 -0.02 0.00 0.00 35.03 33.20 1pgp n LYS 252 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1pgp s ILE 253 N -3.11 4.82 0.14 -0.18 -4.36 -0.37 -5.01 121.20 113.13 1pgp s ILE 253 Ca -0.02 0.74 -0.31 0.00 -0.26 0.00 0.00 60.65 60.80 1pgp s ILE 253 Cb 0.09 -3.66 -0.09 0.00 1.25 0.00 0.00 42.46 40.05 1pgp s ILE 253 CO 0.80 0.00 1.44 -0.60 0.24 0.00 0.00 174.94 176.82 1pgp s ARG 254 N -2.58 4.29 -0.31 0.37 3.52 -1.26 -4.94 118.95 118.04 1pgp s ARG 254 Ca 0.46 2.17 -0.06 0.00 -0.13 0.00 0.00 55.73 58.17 1pgp s ARG 254 Cb -0.12 -3.21 -0.16 0.00 -1.56 0.00 0.00 34.95 29.90 1pgp s ARG 254 CO 0.20 -0.47 3.31 -0.40 -0.81 0.00 0.00 175.30 177.12 1pgp n ASP 255 N 3.78 5.98 -3.97 -2.12 5.75 -1.26 -4.73 116.55 119.98 1pgp n ASP 255 Ca 0.12 -2.69 -0.31 0.00 -0.01 0.00 0.00 54.79 51.89 1pgp n ASP 255 Cb 0.41 -1.38 -0.15 0.00 -1.03 0.00 0.00 41.12 38.96 1pgp n ASP 255 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1pgp s SER 256 N 1.55 4.36 0.13 -1.12 0.15 -1.26 -4.61 113.70 112.89 1pgp s SER 256 Ca 0.65 -1.66 -0.26 0.00 0.70 0.00 0.00 55.95 55.38 1pgp s SER 256 Cb 0.32 -1.39 -0.07 0.00 -1.71 0.00 0.00 66.02 63.16 1pgp s SER 256 CO -0.06 -0.30 0.80 0.00 1.20 0.00 0.00 173.24 174.87 1pgp s ALA 257 N 1.17 3.40 0.83 5.45 0.00 -1.26 -4.91 121.76 126.44 1pgp s ALA 257 Ca 0.02 0.37 -0.10 0.00 0.00 0.00 0.00 51.96 52.25 1pgp s ALA 257 Cb -0.19 -3.01 0.14 0.00 0.00 0.00 0.00 23.12 20.06 1pgp s ALA 257 CO -0.09 0.19 1.16 0.20 0.00 0.00 0.00 175.76 177.22 1pgp s GLY 258 N -0.71 1.74 -0.26 0.00 0.00 -1.26 -4.71 107.32 102.13 1pgp s GLY 258 Ca 0.38 -1.22 -0.25 0.00 0.00 0.00 0.00 44.72 43.62 1pgp s GLY 258 CO 0.26 -0.61 0.74 1.20 0.00 0.00 0.00 173.10 174.69 1pgp s GLN 259 N -5.54 0.83 -0.32 2.90 -0.21 -1.26 -5.06 119.66 111.01 1pgp s GLN 259 Ca 0.68 0.93 0.09 0.00 0.02 0.00 0.00 55.36 57.08 1pgp s GLN 259 Cb -0.06 0.41 0.46 0.00 1.00 0.00 0.00 33.01 34.81 1pgp s GLN 259 CO 0.49 -0.11 1.15 1.63 -2.12 0.00 0.00 175.29 176.33 1pgp n LYS 260 N 2.55 3.26 0.00 2.91 5.02 -1.26 -5.02 118.16 125.62 1pgp n LYS 260 Ca -0.14 -4.14 0.00 0.00 -2.02 0.00 0.00 58.31 52.01 1pgp n LYS 260 Cb 0.55 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1pgp n LYS 260 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgp n GLY 261 N -0.62 1.18 0.37 0.72 0.00 -1.26 -4.81 105.19 100.77 1pgp n GLY 261 Ca 0.37 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.51 1pgp n GLY 261 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pgp h THR 262 N 0.00 0.86 -0.27 2.61 1.35 -1.95 -1.32 112.91 114.19 1pgp h THR 262 Ca 0.00 -0.21 -0.18 0.00 -0.55 0.00 0.00 66.41 65.47 1pgp h THR 262 Cb 0.00 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1pgp h THR 262 CO 0.00 0.11 -0.56 1.23 -0.25 0.00 0.00 175.52 176.05 1pgp h GLY 263 N 0.60 0.90 1.50 5.82 0.00 -1.86 -3.09 103.07 106.94 1pgp h GLY 263 Ca 0.39 -1.05 -0.19 0.00 0.00 0.00 0.00 47.33 46.48 1pgp h GLY 263 CO -0.15 0.95 -0.71 0.07 0.00 0.00 0.00 176.54 176.69 1pgp h LYS 264 N 0.63 0.49 -0.97 4.80 2.10 -1.79 -2.97 116.57 118.85 1pgp h LYS 264 Ca 0.01 -0.39 0.07 0.00 -2.00 0.00 0.00 60.65 58.35 1pgp h LYS 264 Cb 1.15 0.08 -0.07 0.00 -0.90 0.00 0.00 32.23 32.49 1pgp h LYS 264 CO 0.12 1.02 0.63 -1.49 -2.00 0.00 0.00 179.45 177.73 1pgp h TRP 265 N 0.34 1.14 -0.25 0.07 6.55 -1.27 0.15 115.95 122.69 1pgp h TRP 265 Ca -0.03 0.03 0.01 0.00 0.95 0.00 0.00 58.89 59.86 1pgp h TRP 265 Cb 1.29 -0.37 -0.02 0.00 -0.86 0.00 0.00 29.16 29.20 1pgp h TRP 265 CO 0.05 0.57 0.13 1.15 -1.05 0.00 0.00 178.44 179.29 1pgp h THR 266 N 1.10 1.00 -0.44 1.49 2.02 -1.44 0.70 112.91 117.34 1pgp h THR 266 Ca 0.43 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.51 1pgp h THR 266 Cb 0.23 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1pgp h THR 266 CO -0.18 0.05 0.23 0.00 0.37 0.00 0.00 175.52 175.99 1pgp h ALA 267 N 1.12 0.56 -0.58 6.16 0.00 -1.18 -1.12 119.26 124.23 1pgp h ALA 267 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1pgp h ALA 267 Cb 0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1pgp h ALA 267 CO -0.06 0.10 0.14 0.82 0.00 0.00 0.00 179.25 180.24 1pgp h ILE 268 N 0.57 1.25 -1.00 0.00 2.04 -0.31 -1.80 117.51 118.26 1pgp h ILE 268 Ca 0.15 -0.89 0.02 0.00 1.00 0.00 0.00 64.86 65.14 1pgp h ILE 268 Cb 0.07 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1pgp h ILE 268 CO -0.02 0.33 0.66 0.28 0.00 0.00 0.00 178.15 179.40 1pgp h SER 269 N 0.83 1.14 -0.57 1.72 0.02 -0.40 0.80 113.55 117.08 1pgp h SER 269 Ca 0.18 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1pgp h SER 269 Cb 0.35 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1pgp h SER 269 CO 0.00 0.81 -0.03 0.00 -1.14 0.00 0.00 176.83 176.48 1pgp h ALA 270 N 1.39 0.77 -0.10 3.77 0.00 -0.66 -0.78 119.26 123.64 1pgp h ALA 270 Ca 0.37 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1pgp h ALA 270 Cb -0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.45 1pgp h ALA 270 CO -0.09 0.62 0.04 -0.07 0.00 0.00 0.00 179.25 179.76 1pgp h LEU 271 N 0.90 0.13 -1.63 0.00 -0.00 -0.54 0.19 115.31 114.37 1pgp h LEU 271 Ca 0.16 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 1pgp h LEU 271 Cb 0.58 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 1pgp h LEU 271 CO 0.03 0.24 0.14 -0.33 -0.00 0.00 0.00 178.44 178.52 1pgp h GLU 272 N 0.02 0.39 -0.39 1.13 5.08 -0.63 -2.85 114.58 117.33 1pgp h GLU 272 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pgp h GLU 272 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1pgp h GLU 272 CO -0.00 0.30 0.00 0.66 -1.00 0.00 0.00 179.01 178.97 1pgp n TYR 273 N -4.45 0.52 -3.01 4.33 4.01 -0.32 -5.01 117.16 113.22 1pgp n TYR 273 Ca 0.01 -0.43 -0.12 0.00 -0.16 0.00 0.00 57.90 57.20 1pgp n TYR 273 Cb 0.11 -0.02 0.06 0.00 -0.31 0.00 0.00 39.34 39.18 1pgp n TYR 273 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pgp n GLY 274 N 0.80 -0.14 3.17 2.72 0.00 0.50 -5.02 105.19 107.22 1pgp n GLY 274 Ca 0.14 -0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1pgp n GLY 274 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pgp s VAL 275 N -3.26 2.16 -0.87 1.61 1.01 -0.21 -5.04 120.40 115.80 1pgp s VAL 275 Ca 0.01 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.86 1pgp s VAL 275 Cb -0.00 -1.88 -0.13 0.00 0.00 0.00 0.00 36.38 34.37 1pgp s VAL 275 CO 0.52 0.54 1.98 -0.81 0.00 0.00 0.00 175.10 177.33 1pgp n PRO 276 N 4.26 1.73 -2.46 2.72 -0.04 -1.26 -4.54 135.00 135.41 1pgp n PRO 276 Ca -0.20 -1.92 -0.43 0.00 -0.04 0.00 0.00 63.50 60.91 1pgp n PRO 276 Cb 0.51 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1pgp n PRO 276 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pgp n VAL 277 N 5.76 4.45 -0.04 0.52 0.31 -1.26 -4.81 118.33 123.26 1pgp n VAL 277 Ca 0.50 -4.59 -0.16 0.00 -0.01 0.00 0.00 64.34 60.08 1pgp n VAL 277 Cb 0.39 -2.34 -0.05 0.00 -0.91 0.00 0.00 33.84 30.93 1pgp n VAL 277 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1pgp h THR 278 N 3.77 1.28 -0.33 2.52 1.35 -1.96 -2.85 112.91 116.69 1pgp h THR 278 Ca 0.37 -1.88 -0.07 0.00 -0.55 0.00 0.00 66.41 64.28 1pgp h THR 278 Cb 0.65 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.90 1pgp h THR 278 CO 1.56 0.60 -0.06 0.25 -0.25 0.00 0.00 175.52 177.63 1pgp h LEU 279 N 0.58 0.63 -1.07 3.87 6.46 -1.91 0.61 115.31 124.47 1pgp h LEU 279 Ca -0.03 -0.35 -0.03 0.00 -0.12 0.00 0.00 57.88 57.35 1pgp h LEU 279 Cb 1.30 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 1pgp h LEU 279 CO 0.14 0.83 0.26 0.40 -0.62 0.00 0.00 178.44 179.46 1pgp h ILE 280 N 0.41 1.22 -0.09 4.05 2.04 -1.89 -0.01 117.51 123.24 1pgp h ILE 280 Ca 0.09 -0.68 0.04 0.00 1.00 0.00 0.00 64.86 65.31 1pgp h ILE 280 Cb 0.55 0.45 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 1pgp h ILE 280 CO 0.03 0.27 -0.33 1.23 0.00 0.00 0.00 178.15 179.35 1pgp h GLY 281 N 1.00 -0.50 1.55 5.37 0.00 -1.08 -0.92 103.07 108.50 1pgp h GLY 281 Ca 0.22 0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.93 1pgp h GLY 281 CO -0.02 -0.23 0.12 0.83 0.00 0.00 0.00 176.54 177.24 1pgp h GLU 282 N -0.43 0.58 -0.05 4.80 4.39 -0.06 -1.72 114.58 122.08 1pgp h GLU 282 Ca 0.08 -0.09 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1pgp h GLU 282 Cb 0.56 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1pgp h GLU 282 CO -0.33 0.51 0.01 0.00 -1.16 0.00 0.00 179.01 178.04 1pgp h ALA 283 N 1.57 0.07 0.21 3.43 0.00 -0.55 0.26 119.26 124.25 1pgp h ALA 283 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1pgp h ALA 283 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1pgp h ALA 283 CO -0.01 -0.29 -0.15 0.28 0.00 0.00 0.00 179.25 179.08 1pgp h VAL 284 N -0.16 0.68 -0.41 0.00 2.07 -0.89 -1.40 116.25 116.15 1pgp h VAL 284 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 1pgp h VAL 284 Cb 0.27 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1pgp h VAL 284 CO 0.00 0.00 0.14 -0.26 0.02 0.00 0.00 177.57 177.47 1pgp h PHE 285 N -0.36 0.58 0.00 1.57 0.04 -1.30 -0.71 116.94 116.77 1pgp h PHE 285 Ca -0.02 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 1pgp h PHE 285 Cb 0.31 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1pgp h PHE 285 CO -0.10 0.48 -0.14 0.00 -0.60 0.00 0.00 178.31 177.94 1pgp h ALA 286 N 1.58 1.63 -0.09 2.45 0.00 0.31 0.04 119.26 125.19 1pgp h ALA 286 Ca 0.14 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 1pgp h ALA 286 Cb 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1pgp h ALA 286 CO -0.01 0.18 -0.62 0.00 0.00 0.00 0.00 179.25 178.80 1pgp h ARG 287 N 0.00 0.58 -0.75 0.00 3.08 -0.10 -2.54 114.38 114.65 1pgp h ARG 287 Ca -0.00 -0.50 0.07 0.00 0.07 0.00 0.00 59.98 59.62 1pgp h ARG 287 Cb 0.28 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 1pgp h ARG 287 CO 0.02 1.13 0.43 0.00 -1.07 0.00 0.00 179.97 180.47 1pgp h LEU 289 N 0.76 0.03 -1.70 0.00 6.46 -0.97 -1.92 115.31 117.97 1pgp h LEU 289 Ca 0.35 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 58.10 1pgp h LEU 289 Cb 0.25 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1pgp h LEU 289 CO -0.21 0.05 -0.18 0.77 -0.62 0.00 0.00 178.44 178.25 1pgp h SER 290 N 0.16 0.00 0.19 1.25 4.64 -0.81 -1.62 113.55 117.35 1pgp h SER 290 Ca 0.12 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.42 1pgp h SER 290 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1pgp h SER 290 CO -0.15 0.18 -0.07 0.28 -0.87 0.00 0.00 176.83 176.20 1pgp h SER 291 N 0.00 0.00 -0.24 4.97 0.02 -0.48 -3.08 113.55 114.74 1pgp h SER 291 Ca -0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.78 1pgp h SER 291 Cb 0.39 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.86 1pgp h SER 291 CO 0.02 0.07 0.12 0.18 -1.14 0.00 0.00 176.83 176.09 1pgp n LEU 292 N -3.81 5.80 -0.18 5.07 4.32 -0.61 -4.64 117.00 122.95 1pgp n LEU 292 Ca -0.02 -2.93 -0.03 0.00 -0.02 0.00 0.00 56.01 53.01 1pgp n LEU 292 Cb 0.17 -1.15 0.07 0.00 -1.62 0.00 0.00 43.42 40.89 1pgp n LEU 292 CO 0.30 1.23 1.00 0.50 -1.22 0.00 0.00 177.39 179.19 1pgp h LYS 293 N 1.57 0.42 -0.57 3.23 1.63 -1.73 -1.83 116.57 119.28 1pgp h LYS 293 Ca 0.15 -0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.86 1pgp h LYS 293 Cb 1.01 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 1pgp h LYS 293 CO 0.35 0.28 0.08 -0.44 -3.45 0.00 0.00 179.45 176.27 1pgp h ASP 294 N 0.43 0.88 -0.56 4.20 3.32 -1.92 -2.35 116.42 120.42 1pgp h ASP 294 Ca 0.25 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1pgp h ASP 294 Cb 0.24 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1pgp h ASP 294 CO -0.23 0.89 0.21 -0.33 -1.72 0.00 0.00 179.24 178.06 1pgp h GLU 295 N 0.87 0.85 -0.50 3.56 5.08 -1.81 -2.58 114.58 120.06 1pgp h GLU 295 Ca 0.18 -0.17 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1pgp h GLU 295 Cb 0.40 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1pgp h GLU 295 CO 0.01 0.75 0.08 0.00 -1.00 0.00 0.00 179.01 178.85 1pgp h ARG 296 N 0.78 0.78 -0.26 2.33 3.08 -0.97 0.37 114.38 120.49 1pgp h ARG 296 Ca 0.19 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1pgp h ARG 296 Cb 0.23 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1pgp h ARG 296 CO -0.01 0.73 0.06 0.82 -1.07 0.00 0.00 179.97 180.51 1pgp h ILE 297 N 0.74 0.90 -0.35 2.04 1.08 -1.21 0.14 117.51 120.85 1pgp h ILE 297 Ca 0.16 -0.06 -0.11 0.00 -0.39 0.00 0.00 64.86 64.46 1pgp h ILE 297 Cb 0.34 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.79 1pgp h ILE 297 CO 0.01 0.03 -0.23 1.56 -0.69 0.00 0.00 178.15 178.82 1pgp h GLN 298 N 0.17 0.70 -0.31 2.37 1.08 -0.95 -2.79 115.11 115.37 1pgp h GLN 298 Ca 0.12 -0.28 -0.13 0.00 -1.45 0.00 0.00 58.65 56.91 1pgp h GLN 298 Cb 0.11 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1pgp h GLN 298 CO -0.14 0.87 -0.34 0.00 -0.95 0.00 0.00 178.83 178.27 1pgp h ALA 299 N 1.13 0.83 0.00 3.87 0.00 0.15 -2.77 119.26 122.47 1pgp h ALA 299 Ca 0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1pgp h ALA 299 Cb 0.72 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1pgp h ALA 299 CO 0.06 0.64 -0.11 0.66 0.00 0.00 0.00 179.25 180.50 1pgp h SER 300 N 0.57 0.00 0.75 0.00 4.64 -0.71 0.21 113.55 119.01 1pgp h SER 300 Ca 0.06 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.21 1pgp h SER 300 Cb 0.85 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 1pgp h SER 300 CO 0.07 0.11 -0.78 0.11 -0.87 0.00 0.00 176.83 175.47 1pgp h LYS 301 N 0.00 0.03 0.00 4.77 1.57 -1.36 -3.40 116.57 118.17 1pgp h LYS 301 Ca -0.00 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.56 1pgp h LYS 301 Cb 0.32 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1pgp h LYS 301 CO 0.01 0.80 -1.55 1.17 -0.57 0.00 0.00 179.45 179.31 1pgp n LYS 302 N -3.63 0.45 -2.40 3.15 3.00 -0.44 -5.01 118.16 113.28 1pgp n LYS 302 Ca -0.01 0.19 -0.39 0.00 -0.00 0.00 0.00 58.31 58.10 1pgp n LYS 302 Cb 0.75 -1.27 -0.03 0.00 0.00 0.00 0.00 35.03 34.48 1pgp n LYS 302 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1pgp s LEU 303 N -7.47 4.32 0.03 3.14 1.02 0.61 -5.04 118.68 115.30 1pgp s LEU 303 Ca -0.27 2.27 0.03 0.00 0.02 0.00 0.00 54.13 56.17 1pgp s LEU 303 Cb 0.08 -3.89 -0.04 0.00 0.02 0.00 0.00 46.19 42.36 1pgp s LEU 303 CO 0.37 -0.44 0.01 -0.54 0.02 0.00 0.00 176.35 175.77 1pgp s LYS 304 N -2.01 2.72 0.02 1.70 -0.14 -1.26 -4.77 119.74 116.01 1pgp s LYS 304 Ca 0.52 -0.69 0.00 0.00 -1.36 0.00 0.00 55.97 54.45 1pgp s LYS 304 Cb -0.30 -2.64 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 1pgp s LYS 304 CO 0.38 0.59 0.03 0.41 -0.76 0.00 0.00 175.35 176.00 1pgp n GLY 305 N 1.05 2.10 3.67 -3.33 0.00 -1.26 -5.12 105.19 102.30 1pgp n GLY 305 Ca -0.13 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.46 1pgp n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pgp s PRO 306 N -2.10 0.82 0.20 1.61 0.04 -1.26 -4.98 135.00 129.33 1pgp s PRO 306 Ca 0.02 0.95 -0.31 0.00 0.04 0.00 0.00 61.00 61.71 1pgp s PRO 306 Cb -0.00 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.69 1pgp s PRO 306 CO 0.01 -2.58 1.51 -1.14 0.04 0.00 0.00 177.00 174.85 1pgp s GLN 307 N -4.80 4.24 -0.77 4.56 0.74 -1.26 -4.87 119.66 117.49 1pgp s GLN 307 Ca 0.65 2.33 -0.26 0.00 0.05 0.00 0.00 55.36 58.13 1pgp s GLN 307 Cb -0.20 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.78 1pgp s GLN 307 CO 0.59 -0.53 1.63 1.21 -0.55 0.00 0.00 175.29 177.64 1pgp s ASN 308 N 0.80 5.73 -0.32 6.67 2.47 -1.26 -4.95 114.94 124.07 1pgp s ASN 308 Ca 0.65 -0.39 -0.12 0.00 0.42 0.00 0.00 52.86 53.42 1pgp s ASN 308 Cb -0.43 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 36.80 1pgp s ASN 308 CO 0.37 -2.13 0.22 -0.63 -3.72 0.00 0.00 177.10 171.20 1pgp s ILE 309 N 7.55 5.24 0.48 -5.21 1.01 -1.26 -5.09 121.20 123.92 1pgp s ILE 309 Ca 0.54 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.81 1pgp s ILE 309 Cb -0.08 -3.64 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1pgp s ILE 309 CO 0.10 0.06 1.40 -2.65 0.00 0.00 0.00 174.94 173.84 1pgp n PRO 310 N 5.09 2.04 -2.40 2.79 -0.02 -1.26 -4.94 135.00 136.30 1pgp n PRO 310 Ca -0.13 0.73 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 1pgp n PRO 310 Cb 0.50 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 1pgp n PRO 310 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1pgp s PHE 311 N -1.22 2.73 -0.29 6.00 5.36 -1.26 -4.97 117.98 124.32 1pgp s PHE 311 Ca 0.65 0.91 -0.01 0.00 -0.96 0.00 0.00 56.93 57.52 1pgp s PHE 311 Cb -0.44 -3.69 0.05 0.00 -0.34 0.00 0.00 43.02 38.60 1pgp s PHE 311 CO 0.55 -1.82 -0.02 -1.83 -1.46 0.00 0.00 175.22 170.64 1pgp s GLU 312 N 3.82 2.45 0.00 10.12 -1.05 -1.26 -5.05 118.70 127.73 1pgp s GLU 312 Ca 0.57 -1.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 1pgp s GLU 312 Cb -0.20 -3.12 0.00 0.00 -0.44 0.00 0.00 34.13 30.36 1pgp s GLU 312 CO 0.19 -0.59 0.00 0.41 0.95 0.00 0.00 175.26 176.22 1pgp n GLY 313 N 4.60 1.64 3.58 -3.83 0.00 -1.26 -5.08 105.19 104.84 1pgp n GLY 313 Ca -0.14 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 1pgp n GLY 313 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pgp s ASP 314 N 0.00 5.95 0.28 1.61 2.15 -1.26 -4.88 116.67 120.52 1pgp s ASP 314 Ca 0.00 0.63 0.01 0.00 0.43 0.00 0.00 52.55 53.62 1pgp s ASP 314 Cb 0.00 -2.54 0.59 0.00 -0.30 0.00 0.00 42.92 40.67 1pgp s ASP 314 CO 0.00 -1.78 1.79 0.11 -0.17 0.00 0.00 175.17 175.11 1pgp h LYS 315 N 12.15 0.73 -0.86 4.34 1.57 -1.98 0.65 116.57 133.17 1pgp h LYS 315 Ca -0.28 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 1pgp h LYS 315 Cb 1.13 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 33.22 1pgp h LYS 315 CO 1.13 0.49 0.56 0.87 -0.57 0.00 0.00 179.45 181.93 1pgp h LYS 316 N 0.76 1.09 -0.47 3.15 1.57 -1.99 0.19 116.57 120.87 1pgp h LYS 316 Ca 0.50 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 59.13 1pgp h LYS 316 Cb 0.67 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1pgp h LYS 316 CO -0.34 0.72 -0.03 0.77 -0.57 0.00 0.00 179.45 180.00 1pgp h SER 317 N 1.12 0.83 -0.28 0.86 0.02 -1.35 -2.01 113.55 112.74 1pgp h SER 317 Ca 0.33 -0.32 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1pgp h SER 317 Cb -0.06 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1pgp h SER 317 CO -0.10 0.95 -0.08 0.15 -1.14 0.00 0.00 176.83 176.61 1pgp h PHE 318 N 0.69 0.73 -0.89 3.45 3.57 -0.37 -1.07 116.94 123.05 1pgp h PHE 318 Ca 0.13 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1pgp h PHE 318 Cb 0.54 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 1pgp h PHE 318 CO 0.04 0.74 0.53 1.25 -2.23 0.00 0.00 178.31 178.64 1pgp h LEU 319 N 0.63 1.08 -0.71 0.59 5.85 -0.44 -1.09 115.31 121.22 1pgp h LEU 319 Ca 0.11 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1pgp h LEU 319 Cb 0.51 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1pgp h LEU 319 CO 0.03 0.84 0.12 -0.08 -0.34 0.00 0.00 178.44 179.01 1pgp h GLU 320 N 1.24 1.11 -0.92 1.25 4.22 -0.57 -2.47 114.58 118.43 1pgp h GLU 320 Ca 0.32 -0.29 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1pgp h GLU 320 Cb -0.03 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.04 1pgp h GLU 320 CO -0.06 1.01 0.59 -0.44 -2.18 0.00 0.00 179.01 177.93 1pgp h ASP 321 N 1.04 1.07 -0.51 1.04 3.32 -0.16 -1.98 116.42 120.24 1pgp h ASP 321 Ca 0.21 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 1pgp h ASP 321 Cb 0.43 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1pgp h ASP 321 CO 0.01 0.79 -0.02 0.40 -1.72 0.00 0.00 179.24 178.70 1pgp h ILE 322 N 1.26 1.26 0.03 0.35 2.04 -1.05 0.16 117.51 121.55 1pgp h ILE 322 Ca 0.34 -1.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1pgp h ILE 322 Cb -0.12 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1pgp h ILE 322 CO -0.07 0.40 -0.01 -0.09 0.00 0.00 0.00 178.15 178.38 1pgp h ARG 323 N 0.88 -0.04 -0.08 2.37 2.43 -0.93 -1.18 114.38 117.83 1pgp h ARG 323 Ca 0.16 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 1pgp h ARG 323 Cb 0.55 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1pgp h ARG 323 CO 0.03 -0.02 -0.54 0.87 -1.51 0.00 0.00 179.97 178.79 1pgp h LYS 324 N -0.04 0.23 -0.48 0.20 1.57 -1.24 -1.44 116.57 115.36 1pgp h LYS 324 Ca -0.00 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1pgp h LYS 324 Cb 0.03 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1pgp h LYS 324 CO 0.01 0.71 0.20 0.00 -0.57 0.00 0.00 179.45 179.79 1pgp h ALA 325 N 1.26 0.63 0.14 3.86 0.00 -0.76 -0.31 119.26 124.07 1pgp h ALA 325 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1pgp h ALA 325 Cb 1.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1pgp h ALA 325 CO 0.08 0.23 -0.07 1.25 0.00 0.00 0.00 179.25 180.75 1pgp h LEU 326 N 0.64 -0.16 -0.30 0.00 5.85 -1.00 -1.26 115.31 119.08 1pgp h LEU 326 Ca 0.16 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1pgp h LEU 326 Cb 0.19 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1pgp h LEU 326 CO -0.01 0.03 0.18 0.22 -0.34 0.00 0.00 178.44 178.51 1pgp h TYR 327 N -0.35 0.34 -0.49 1.25 3.20 -1.21 0.01 116.97 119.73 1pgp h TYR 327 Ca -0.02 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1pgp h TYR 327 Cb 0.28 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 1pgp h TYR 327 CO -0.02 0.20 0.22 0.00 -1.64 0.00 0.00 178.16 176.93 1pgp h ALA 328 N 1.13 0.62 -0.24 1.82 0.00 -0.90 -1.83 119.26 119.84 1pgp h ALA 328 Ca 0.12 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1pgp h ALA 328 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pgp h ALA 328 CO -0.05 -0.14 -0.14 0.77 0.00 0.00 0.00 179.25 179.69 1pgp h SER 329 N 0.44 0.39 -0.63 0.00 0.02 -1.00 -2.39 113.55 110.39 1pgp h SER 329 Ca 0.22 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 1pgp h SER 329 Cb 0.16 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1pgp h SER 329 CO -0.18 0.56 0.28 0.50 -1.14 0.00 0.00 176.83 176.86 1pgp h LYS 330 N 0.38 0.92 -0.38 3.45 3.64 -0.23 -2.35 116.57 122.01 1pgp h LYS 330 Ca 0.07 -0.15 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1pgp h LYS 330 Cb 0.48 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 1pgp h LYS 330 CO 0.03 0.76 0.24 0.82 -2.27 0.00 0.00 179.45 179.02 1pgp h ILE 331 N 0.88 1.07 -0.64 2.00 2.04 -0.85 -1.97 117.51 120.03 1pgp h ILE 331 Ca 0.21 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.87 1pgp h ILE 331 Cb 0.15 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1pgp h ILE 331 CO -0.02 0.09 0.26 0.40 0.00 0.00 0.00 178.15 178.87 1pgp h ILE 332 N 0.48 1.23 -0.26 -0.67 5.03 -1.29 -1.50 117.51 120.53 1pgp h ILE 332 Ca 0.14 -0.73 0.03 0.00 -0.12 0.00 0.00 64.86 64.19 1pgp h ILE 332 Cb -0.03 0.52 -0.03 0.00 -3.03 0.00 0.00 36.82 34.25 1pgp h ILE 332 CO -0.05 0.29 0.08 -1.28 -0.68 0.00 0.00 178.15 176.51 1pgp h SER 333 N 0.89 0.08 -0.67 1.72 0.87 -0.96 -0.72 113.55 114.77 1pgp h SER 333 Ca 0.21 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.72 1pgp h SER 333 Cb 0.20 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1pgp h SER 333 CO -0.02 0.08 0.10 1.88 -0.53 0.00 0.00 176.83 178.34 1pgp h TYR 334 N 0.19 1.19 -0.52 2.24 -1.99 -1.25 0.48 116.97 117.31 1pgp h TYR 334 Ca 0.12 -0.17 0.01 0.00 2.00 0.00 0.00 58.73 60.69 1pgp h TYR 334 Cb 0.09 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.47 1pgp h TYR 334 CO -0.14 1.00 0.34 0.00 -0.00 0.00 0.00 178.16 179.36 1pgp h ALA 335 N 1.06 0.66 -0.50 3.88 0.00 -0.77 -0.71 119.26 122.87 1pgp h ALA 335 Ca 0.20 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1pgp h ALA 335 Cb 0.46 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1pgp h ALA 335 CO 0.01 0.08 0.17 1.96 0.00 0.00 0.00 179.25 181.48 1pgp h GLN 336 N 0.69 0.77 -0.64 0.00 4.20 -0.73 0.37 115.11 119.77 1pgp h GLN 336 Ca 0.19 -0.16 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1pgp h GLN 336 Cb -0.06 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 1pgp h GLN 336 CO -0.05 0.71 0.26 0.78 -0.67 0.00 0.00 178.83 179.86 1pgp h GLY 337 N 0.67 1.01 2.00 3.46 0.00 -0.70 -2.00 103.07 107.52 1pgp h GLY 337 Ca 0.16 -0.55 -0.06 0.00 0.00 0.00 0.00 47.33 46.88 1pgp h GLY 337 CO -0.01 0.52 -0.29 0.74 0.00 0.00 0.00 176.54 177.49 1pgp h PHE 338 N 0.89 0.00 -0.67 5.60 0.04 -0.93 -2.27 116.94 119.60 1pgp h PHE 338 Ca 0.21 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.91 1pgp h PHE 338 Cb 0.19 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 1pgp h PHE 338 CO 0.01 0.29 0.13 0.52 -0.60 0.00 0.00 178.31 178.67 1pgp h MET 339 N 0.00 1.10 -0.06 1.51 2.86 -0.34 -2.61 114.93 117.39 1pgp h MET 339 Ca -0.00 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1pgp h MET 339 Cb 0.81 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.33 1pgp h MET 339 CO 0.04 0.99 0.04 1.25 1.06 0.00 0.00 176.91 180.29 1pgp h LEU 340 N 1.02 0.08 -0.66 1.22 6.46 -0.94 -1.35 115.31 121.14 1pgp h LEU 340 Ca 0.21 -0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.97 1pgp h LEU 340 Cb 0.41 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.26 1pgp h LEU 340 CO 0.01 0.13 0.34 -0.07 -0.62 0.00 0.00 178.44 178.23 1pgp h LEU 341 N 0.02 0.48 -0.59 2.25 4.07 -1.44 -0.62 115.31 119.48 1pgp h LEU 341 Ca 0.02 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.06 1pgp h LEU 341 Cb 0.07 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1pgp h LEU 341 CO -0.00 0.30 0.36 -0.09 -1.08 0.00 0.00 178.44 177.92 1pgp h ARG 342 N 0.62 0.68 -0.41 1.13 2.43 -1.04 -0.96 114.38 116.83 1pgp h ARG 342 Ca 0.31 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.30 1pgp h ARG 342 Cb 0.26 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1pgp h ARG 342 CO -0.22 0.45 -0.28 1.96 -1.51 0.00 0.00 179.97 180.37 1pgp h GLN 343 N 0.70 0.91 -0.31 0.20 1.08 -0.80 -2.53 115.11 114.35 1pgp h GLN 343 Ca 0.24 -0.43 -0.08 0.00 -1.45 0.00 0.00 58.65 56.93 1pgp h GLN 343 Cb 0.04 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.45 1pgp h GLN 343 CO -0.11 1.09 -0.13 0.00 -0.95 0.00 0.00 178.83 178.73 1pgp h ALA 344 N 0.80 1.19 -0.36 3.87 0.00 -0.51 0.54 119.26 124.79 1pgp h ALA 344 Ca 0.08 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1pgp h ALA 344 Cb 0.86 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1pgp h ALA 344 CO 0.08 0.52 0.22 0.00 0.00 0.00 0.00 179.25 180.07 1pgp h ALA 345 N 1.36 0.46 -0.62 0.00 0.00 -1.13 -0.21 119.26 119.11 1pgp h ALA 345 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1pgp h ALA 345 Cb 0.52 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pgp h ALA 345 CO 0.03 -0.11 0.17 1.15 0.00 0.00 0.00 179.25 180.49 1pgp h THR 346 N 0.45 1.25 -0.29 0.00 2.02 -0.91 0.26 112.91 115.70 1pgp h THR 346 Ca 0.14 -0.89 -0.12 0.00 0.77 0.00 0.00 66.41 66.31 1pgp h THR 346 Cb -0.02 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1pgp h THR 346 CO -0.05 0.34 -0.31 -0.33 0.37 0.00 0.00 175.52 175.53 1pgp h GLU 347 N 0.91 0.62 -0.14 6.66 4.39 -0.49 -3.28 114.58 123.24 1pgp h GLU 347 Ca 0.20 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1pgp h GLU 347 Cb 0.33 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1pgp h GLU 347 CO -0.00 0.86 0.00 1.19 -1.16 0.00 0.00 179.01 179.89 1pgp n PHE 348 N -4.08 0.18 -3.28 4.33 3.72 -0.13 -5.01 117.46 113.19 1pgp n PHE 348 Ca -0.01 -0.33 -0.16 0.00 -0.05 0.00 0.00 57.45 56.90 1pgp n PHE 348 Cb 0.47 -0.02 0.07 0.00 -0.94 0.00 0.00 39.48 39.06 1pgp n PHE 348 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pgp n GLY 349 N 0.20 -0.26 3.89 1.37 0.00 0.82 -5.01 105.19 106.20 1pgp n GLY 349 Ca 0.06 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1pgp n GLY 349 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pgp s TRP 350 N -3.29 3.57 -0.39 1.61 0.51 -0.63 -4.99 118.94 115.32 1pgp s TRP 350 Ca 0.17 0.53 -0.11 0.00 -2.12 0.00 0.00 56.10 54.57 1pgp s TRP 350 Cb -0.08 -1.96 0.04 0.00 -0.81 0.00 0.00 33.47 30.67 1pgp s TRP 350 CO 0.61 0.62 0.23 0.99 -0.51 0.00 0.00 176.95 178.89 1pgp s THR 351 N -1.31 4.53 0.09 2.01 2.01 -1.26 -4.67 115.64 117.04 1pgp s THR 351 Ca 0.27 -1.01 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1pgp s THR 351 Cb -0.13 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1pgp s THR 351 CO 0.16 -0.33 0.10 -0.76 -0.69 0.00 0.00 174.62 173.11 1pgp s LEU 352 N 1.53 3.87 -0.37 4.42 1.43 -1.26 -4.72 118.68 123.57 1pgp s LEU 352 Ca 0.02 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1pgp s LEU 352 Cb -0.20 -2.53 0.10 0.00 0.03 0.00 0.00 46.19 43.58 1pgp s LEU 352 CO 0.06 0.16 0.12 0.21 0.23 0.00 0.00 176.35 177.13 1pgp s ASN 353 N -2.48 5.02 0.27 2.29 3.84 -1.26 -4.97 114.94 117.65 1pgp s ASN 353 Ca 0.30 -2.02 -0.02 0.00 0.21 0.00 0.00 52.86 51.33 1pgp s ASN 353 Cb -0.12 -1.73 0.37 0.00 -0.55 0.00 0.00 41.25 39.21 1pgp s ASN 353 CO 0.23 -0.45 1.83 1.88 -2.79 0.00 0.00 177.10 177.80 1pgp h TYR 354 N 7.86 0.93 0.00 0.43 0.05 -1.97 0.14 116.97 124.40 1pgp h TYR 354 Ca -0.10 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.53 1pgp h TYR 354 Cb 1.04 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.49 1pgp h TYR 354 CO 0.52 0.74 -0.37 0.78 -1.05 0.00 0.00 178.16 178.78 1pgp h GLY 355 N 1.00 0.00 0.87 3.88 0.00 -1.89 0.15 103.07 107.08 1pgp h GLY 355 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1pgp h GLY 355 CO -0.01 0.00 0.05 -1.33 0.00 0.00 0.00 176.54 175.25 1pgp h GLY 356 N 1.18 0.44 1.03 4.60 0.00 -1.24 -0.09 103.07 108.99 1pgp h GLY 356 Ca -0.00 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1pgp h GLY 356 CO 0.05 0.27 0.24 -2.22 0.00 0.00 0.00 176.54 174.88 1pgp h ILE 357 N 0.22 1.25 -0.42 2.60 2.04 -0.44 -0.27 117.51 122.50 1pgp h ILE 357 Ca 0.08 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1pgp h ILE 357 Cb 0.31 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1pgp h ILE 357 CO 0.00 0.33 0.19 0.00 0.00 0.00 0.00 178.15 178.68 1pgp h ALA 358 N 1.11 0.54 -0.69 1.87 0.00 -0.58 -1.59 119.26 119.93 1pgp h ALA 358 Ca 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1pgp h ALA 358 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1pgp h ALA 358 CO -0.01 0.12 0.34 1.25 0.00 0.00 0.00 179.25 180.95 1pgp h LEU 359 N 0.54 0.87 -1.52 0.00 7.12 -0.74 -0.86 115.31 120.73 1pgp h LEU 359 Ca 0.14 -0.08 -0.03 0.00 0.13 0.00 0.00 57.88 58.04 1pgp h LEU 359 Cb 0.14 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 40.04 1pgp h LEU 359 CO -0.02 0.73 -0.12 0.24 -0.13 0.00 0.00 178.44 179.14 1pgp h MET 360 N 0.97 0.00 -0.03 1.25 2.86 -0.47 -2.53 114.93 116.97 1pgp h MET 360 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1pgp h MET 360 Cb 0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.74 1pgp h MET 360 CO -0.03 0.12 0.00 0.91 1.06 0.00 0.00 176.91 178.97 1pgp n TRP 361 N -3.35 0.01 0.15 -0.22 8.01 -0.42 -4.35 117.44 117.28 1pgp n TRP 361 Ca -0.00 -0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1pgp n TRP 361 Cb 0.33 0.00 0.19 0.00 -2.01 0.00 0.00 31.31 29.82 1pgp n TRP 361 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1pgp h ARG 362 N 3.61 0.00 -4.01 -0.99 9.65 -0.85 -3.29 114.38 118.50 1pgp h ARG 362 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 1pgp h ARG 362 Cb 0.77 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 29.24 1pgp h ARG 362 CO 0.00 0.57 -0.30 0.20 2.80 0.00 0.00 179.97 183.24 1pgp s GLY 363 N -4.45 0.92 0.00 2.80 0.00 -1.26 -3.96 107.32 101.38 1pgp s GLY 363 Ca -0.01 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1pgp s GLY 363 CO 0.74 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 173.53 1pgp n GLY 364 N -0.36 1.51 3.79 0.20 0.00 -1.26 -4.53 105.19 104.55 1pgp n GLY 364 Ca -0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1pgp n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgp h ILE 366 N -0.93 0.85 -0.21 0.00 1.08 -1.90 -2.73 117.51 113.67 1pgp h ILE 366 Ca -0.44 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1pgp h ILE 366 Cb 1.22 -0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1pgp h ILE 366 CO 0.54 0.14 0.00 2.30 -0.69 0.00 0.00 178.15 180.45 1pgp n ILE 367 N -4.59 0.28 -1.66 -0.67 -5.35 -1.26 -4.37 119.36 101.73 1pgp n ILE 367 Ca 0.18 -0.33 -0.44 0.00 -0.27 0.00 0.00 62.75 61.89 1pgp n ILE 367 Cb 0.44 0.22 -0.02 0.00 -1.74 0.00 0.00 39.64 38.54 1pgp n ILE 367 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1pgp n ARG 368 N 0.22 1.86 -3.57 6.28 1.85 -1.03 -4.85 116.66 117.42 1pgp n ARG 368 Ca 0.13 0.66 -0.05 0.00 -1.00 0.00 0.00 57.85 57.58 1pgp n ARG 368 Cb 0.26 -2.21 -0.02 0.00 -1.05 0.00 0.00 32.46 29.44 1pgp n ARG 368 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1pgp s SER 369 N -0.17 -0.19 0.43 2.89 1.04 -1.25 -2.13 113.70 114.32 1pgp s SER 369 Ca 0.61 -0.00 0.16 0.00 0.48 0.00 0.00 55.95 57.20 1pgp s SER 369 Cb -0.64 0.20 1.07 0.00 0.10 0.00 0.00 66.02 66.75 1pgp s SER 369 CO 0.57 -0.33 1.92 0.58 0.98 0.00 0.00 173.24 176.97 1pgp h VAL 370 N 2.00 0.79 -0.83 5.02 2.07 -1.87 -2.42 116.25 121.01 1pgp h VAL 370 Ca -0.12 -0.14 0.18 0.00 0.82 0.00 0.00 66.70 67.44 1pgp h VAL 370 Cb 1.18 0.36 -0.11 0.00 -1.52 0.00 0.00 31.29 31.20 1pgp h VAL 370 CO 0.25 0.07 0.33 0.15 0.02 0.00 0.00 177.57 178.39 1pgp h PHE 371 N 0.40 0.55 0.00 1.57 3.57 -1.82 0.17 116.94 121.37 1pgp h PHE 371 Ca 0.37 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 1pgp h PHE 371 Cb 0.86 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1pgp h PHE 371 CO -0.00 -0.00 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.95 1pgp h LEU 372 N 0.41 0.00 -0.42 0.59 -0.00 -1.79 -1.38 115.31 112.73 1pgp h LEU 372 Ca 0.48 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.22 1pgp h LEU 372 Cb 0.84 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 1pgp h LEU 372 CO -0.48 0.06 -0.32 1.23 -0.00 0.00 0.00 178.44 178.93 1pgp h GLY 373 N 0.22 1.03 1.08 0.83 0.00 -0.82 -0.50 103.07 104.93 1pgp h GLY 373 Ca -0.00 -1.01 -0.07 0.00 0.00 0.00 0.00 47.33 46.25 1pgp h GLY 373 CO 0.01 0.91 0.14 0.50 0.00 0.00 0.00 176.54 178.10 1pgp h LYS 374 N 0.78 1.12 -0.43 4.80 6.56 -1.05 -1.74 116.57 126.61 1pgp h LYS 374 Ca 0.08 -0.29 -0.07 0.00 -1.06 0.00 0.00 60.65 59.31 1pgp h LYS 374 Cb 0.91 -0.14 -0.02 0.00 -0.57 0.00 0.00 32.23 32.41 1pgp h LYS 374 CO 0.08 1.01 -0.02 0.82 -2.06 0.00 0.00 179.45 179.28 1pgp h ILE 375 N 1.06 1.23 -0.58 1.86 2.04 -1.01 -1.51 117.51 120.60 1pgp h ILE 375 Ca 0.21 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 1pgp h ILE 375 Cb 0.41 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1pgp h ILE 375 CO 0.01 0.34 0.29 0.50 0.00 0.00 0.00 178.15 179.29 1pgp h LYS 376 N 0.66 0.83 -0.36 2.37 3.64 -0.68 -2.44 116.57 120.59 1pgp h LYS 376 Ca 0.13 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1pgp h LYS 376 Cb 0.44 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1pgp h LYS 376 CO 0.02 0.66 0.05 -0.44 -2.27 0.00 0.00 179.45 177.48 1pgp h ASP 377 N 0.79 -0.03 -0.99 4.20 3.32 -0.92 0.25 116.42 123.05 1pgp h ASP 377 Ca 0.20 0.07 0.14 0.00 0.02 0.00 0.00 57.03 57.45 1pgp h ASP 377 Cb 0.10 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.66 1pgp h ASP 377 CO -0.03 0.02 0.62 0.00 -1.72 0.00 0.00 179.24 178.13 1pgp h ALA 378 N 1.28 1.60 0.00 3.45 0.00 -0.96 -1.53 119.26 123.11 1pgp h ALA 378 Ca 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1pgp h ALA 378 Cb 0.21 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pgp h ALA 378 CO -0.24 0.13 -0.88 0.74 0.00 0.00 0.00 179.25 179.00 1pgp h PHE 379 N 0.90 0.00 -0.13 0.00 0.04 -0.82 -2.95 116.94 113.98 1pgp h PHE 379 Ca 0.50 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.14 1pgp h PHE 379 Cb 0.60 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.75 1pgp h PHE 379 CO -0.00 0.00 -0.43 -0.44 -0.60 0.00 0.00 178.31 176.84 1pgp h ASP 380 N 0.00 0.61 1.42 2.17 3.32 0.38 -1.66 116.42 122.65 1pgp h ASP 380 Ca -0.00 -0.60 -0.05 0.00 0.02 0.00 0.00 57.03 56.40 1pgp h ASP 380 Cb 1.00 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.37 1pgp h ASP 380 CO 0.00 1.11 -0.22 0.08 -1.72 0.00 0.00 179.24 178.49 1pgp h ARG 381 N 0.14 0.00 -2.08 3.56 0.11 -1.43 -3.38 114.38 111.30 1pgp h ARG 381 Ca -0.02 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.69 1pgp h ARG 381 Cb 1.06 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 31.81 1pgp h ARG 381 CO 0.09 0.22 -0.69 1.21 0.10 0.00 0.00 179.97 180.90 1pgp s ASN 382 N -6.22 1.52 0.55 0.08 3.84 -1.11 -5.01 114.94 108.59 1pgp s ASN 382 Ca 0.04 -1.37 0.23 0.00 0.21 0.00 0.00 52.86 51.96 1pgp s ASN 382 Cb 0.08 0.45 1.49 0.00 -0.55 0.00 0.00 41.25 42.71 1pgp s ASN 382 CO 0.67 -0.31 2.15 -0.65 -2.79 0.00 0.00 177.10 176.17 1pgp h PRO 383 N 7.46 0.00 -0.70 0.43 0.11 -1.50 -2.30 132.00 135.50 1pgp h PRO 383 Ca -0.01 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1pgp h PRO 383 Cb 1.05 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1pgp h PRO 383 CO 0.25 0.00 0.04 0.41 -0.21 0.00 0.00 178.00 178.49 1pgp n GLY 384 N -1.48 2.73 3.68 -0.55 0.00 -1.26 -4.94 105.19 103.37 1pgp n GLY 384 Ca -0.01 -0.72 -0.47 0.00 0.00 0.00 0.00 46.02 44.83 1pgp n GLY 384 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pgp n LEU 385 N 0.39 3.52 0.13 0.99 7.94 -0.86 -4.89 117.00 124.22 1pgp n LEU 385 Ca 0.23 0.99 -0.02 0.00 -1.11 0.00 0.00 56.01 56.10 1pgp n LEU 385 Cb 1.01 -1.42 0.17 0.00 0.53 0.00 0.00 43.42 43.71 1pgp n LEU 385 CO 0.27 -0.05 0.50 1.56 -1.11 0.00 0.00 177.39 178.56 1pgp h GLN 386 N 8.67 0.02 -1.86 1.96 4.20 -1.92 -3.45 115.11 122.72 1pgp h GLN 386 Ca -0.48 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.21 1pgp h GLN 386 Cb 1.26 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.81 1pgp h GLN 386 CO 0.94 0.63 0.24 1.21 -0.67 0.00 0.00 178.83 181.18 1pgp s ASN 387 N -6.85 -0.65 0.35 1.46 3.84 -1.26 -4.93 114.94 106.91 1pgp s ASN 387 Ca -0.02 1.25 0.09 0.00 0.21 0.00 0.00 52.86 54.39 1pgp s ASN 387 Cb 0.13 1.26 0.81 0.00 -0.55 0.00 0.00 41.25 42.90 1pgp s ASN 387 CO 0.77 -0.21 1.87 0.25 -2.79 0.00 0.00 177.10 176.98 1pgp h LEU 388 N 4.73 0.66 -1.96 3.21 5.85 -1.88 -2.00 115.31 123.91 1pgp h LEU 388 Ca -0.29 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1pgp h LEU 388 Cb 1.17 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.10 1pgp h LEU 388 CO 0.07 0.33 -0.05 -0.07 -0.34 0.00 0.00 178.44 178.38 1pgp h LEU 389 N 0.70 0.00 -0.12 2.25 3.38 -1.94 -2.36 115.31 117.22 1pgp h LEU 389 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1pgp h LEU 389 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1pgp h LEU 389 CO -0.20 0.05 -0.02 0.18 0.09 0.00 0.00 178.44 178.54 1pgp n LEU 390 N -3.26 0.20 -4.77 1.67 4.32 -0.75 -3.84 117.00 110.56 1pgp n LEU 390 Ca -0.01 0.04 -0.39 0.00 -0.02 0.00 0.00 56.01 55.63 1pgp n LEU 390 Cb 0.24 -0.11 -0.06 0.00 -1.62 0.00 0.00 43.42 41.87 1pgp n LEU 390 CO 0.27 0.03 0.33 -0.62 -1.22 0.00 0.00 177.39 176.18 1pgp s ASP 391 N -2.23 7.07 0.37 -1.43 2.15 -0.89 -4.96 116.67 116.75 1pgp s ASP 391 Ca 0.39 1.27 0.13 0.00 0.43 0.00 0.00 52.55 54.77 1pgp s ASP 391 Cb 0.21 -2.39 0.95 0.00 -0.30 0.00 0.00 42.92 41.39 1pgp s ASP 391 CO 0.41 0.14 1.81 0.44 -0.17 0.00 0.00 175.17 177.80 1pgp h ASP 392 N 5.29 0.57 -0.31 -0.34 3.32 -1.88 -0.38 116.42 122.69 1pgp h ASP 392 Ca -0.46 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1pgp h ASP 392 Cb 1.20 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1pgp h ASP 392 CO 0.68 0.21 0.15 0.15 -1.72 0.00 0.00 179.24 178.70 1pgp h PHE 393 N 0.55 0.45 -0.02 4.55 3.57 -1.94 -0.76 116.94 123.34 1pgp h PHE 393 Ca 0.53 -0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.77 1pgp h PHE 393 Cb 1.10 -0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.71 1pgp h PHE 393 CO -0.00 0.41 -0.93 0.74 -2.23 0.00 0.00 178.31 176.29 1pgp h PHE 394 N 0.37 0.79 0.11 0.41 0.04 -1.60 -0.74 116.94 116.31 1pgp h PHE 394 Ca 0.11 -0.41 0.02 0.00 2.80 0.00 0.00 57.97 60.49 1pgp h PHE 394 Cb 0.13 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.14 1pgp h PHE 394 CO -0.02 1.23 -0.36 -0.22 -0.60 0.00 0.00 178.31 178.34 1pgp h LYS 395 N 0.32 -0.57 -0.48 1.51 1.63 -1.00 -0.53 116.57 117.45 1pgp h LYS 395 Ca -0.09 0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.66 1pgp h LYS 395 Cb 1.57 0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 33.31 1pgp h LYS 395 CO 0.17 -0.38 -0.07 0.77 -3.45 0.00 0.00 179.45 176.50 1pgp h SER 396 N -0.59 0.82 0.11 4.20 0.02 -1.04 -1.21 113.55 115.86 1pgp h SER 396 Ca 0.03 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 1pgp h SER 396 Cb 0.62 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1pgp h SER 396 CO -0.22 0.93 -0.05 0.00 -1.14 0.00 0.00 176.83 176.34 1pgp h ALA 397 N 1.15 -0.15 -0.44 3.77 0.00 -0.84 -0.46 119.26 122.29 1pgp h ALA 397 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1pgp h ALA 397 Cb 0.56 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1pgp h ALA 397 CO 0.03 -0.54 0.18 0.28 0.00 0.00 0.00 179.25 179.20 1pgp h VAL 398 N -0.24 1.20 -0.80 0.00 2.07 -1.01 -1.40 116.25 116.07 1pgp h VAL 398 Ca -0.02 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.94 1pgp h VAL 398 Cb 0.19 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1pgp h VAL 398 CO 0.03 0.23 0.52 -0.08 0.02 0.00 0.00 177.57 178.29 1pgp h GLU 399 N 0.57 0.87 -0.27 1.57 4.81 -1.10 -0.38 114.58 120.65 1pgp h GLU 399 Ca 0.15 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.14 1pgp h GLU 399 Cb 0.19 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1pgp h GLU 399 CO -0.01 0.58 -0.56 -0.97 -0.73 0.00 0.00 179.01 177.32 1pgp h ASN 400 N 0.90 0.96 1.43 1.04 -0.73 -0.58 -3.30 115.58 115.30 1pgp h ASN 400 Ca 0.34 -0.54 -0.04 0.00 1.87 0.00 0.00 56.30 57.92 1pgp h ASN 400 Cb 0.18 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1pgp h ASN 400 CO -0.11 1.33 -0.21 0.00 -0.37 0.00 0.00 177.43 178.06 1pgp n GLN 402 N -3.22 -0.08 0.13 0.00 6.02 -0.22 -1.27 117.38 118.74 1pgp n GLN 402 Ca 0.02 1.41 -0.14 0.00 -0.01 0.00 0.00 57.00 58.29 1pgp n GLN 402 Cb 0.53 -2.19 -0.08 0.00 1.02 0.00 0.00 30.24 29.53 1pgp n GLN 402 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1pgp h ASP 403 N 0.00 -0.25 -0.33 1.08 1.82 -1.84 -1.28 116.42 115.62 1pgp h ASP 403 Ca 0.51 -0.16 0.03 0.00 -0.39 0.00 0.00 57.03 57.03 1pgp h ASP 403 Cb 0.96 0.07 -0.03 0.00 0.68 0.00 0.00 39.33 41.01 1pgp h ASP 403 CO -0.91 0.02 0.15 0.28 -1.61 0.00 0.00 179.24 177.17 1pgp h SER 404 N -0.53 0.21 0.26 2.28 0.02 -1.75 0.26 113.55 114.29 1pgp h SER 404 Ca -0.03 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1pgp h SER 404 Cb 0.39 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1pgp h SER 404 CO 0.05 0.16 -0.26 -0.25 -1.14 0.00 0.00 176.83 175.39 1pgp h TRP 405 N 0.32 -0.70 -0.92 3.45 7.01 -1.16 0.22 115.95 124.16 1pgp h TRP 405 Ca 0.14 0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1pgp h TRP 405 Cb 0.07 0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 27.36 1pgp h TRP 405 CO -0.11 -0.38 0.61 0.00 -2.79 0.00 0.00 178.44 175.77 1pgp h ARG 406 N -0.55 1.19 -0.38 2.65 3.08 -0.85 -1.85 114.38 117.67 1pgp h ARG 406 Ca -0.01 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 59.87 1pgp h ARG 406 Cb 0.51 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1pgp h ARG 406 CO -0.06 0.79 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.37 1pgp h ARG 407 N 1.23 0.72 -0.17 0.04 2.43 -0.33 -1.34 114.38 116.97 1pgp h ARG 407 Ca 0.34 -0.26 -0.20 0.00 -0.81 0.00 0.00 59.98 59.06 1pgp h ARG 407 Cb -0.11 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 1pgp h ARG 407 CO -0.08 0.84 -0.68 0.00 -1.51 0.00 0.00 179.97 178.54 1pgp h ALA 408 N 1.18 0.49 0.44 2.80 0.00 -0.07 -1.52 119.26 122.57 1pgp h ALA 408 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1pgp h ALA 408 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1pgp h ALA 408 CO 0.04 0.70 -0.21 0.82 0.00 0.00 0.00 179.25 180.61 1pgp h ILE 409 N 0.48 0.52 -0.97 0.00 1.08 -1.18 -0.85 117.51 116.59 1pgp h ILE 409 Ca -0.02 -0.40 0.04 0.00 -0.39 0.00 0.00 64.86 64.09 1pgp h ILE 409 Cb 1.28 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.66 1pgp h ILE 409 CO 0.13 0.07 0.63 0.77 -0.69 0.00 0.00 178.15 179.06 1pgp h SER 410 N -0.83 1.05 -0.47 1.72 4.64 -1.27 0.72 113.55 119.10 1pgp h SER 410 Ca -0.06 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.16 1pgp h SER 410 Cb 0.56 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 1pgp h SER 410 CO 0.10 0.71 -0.07 0.74 -0.87 0.00 0.00 176.83 177.43 1pgp h THR 411 N 1.21 1.26 -0.42 2.95 2.02 -1.25 -0.61 112.91 118.07 1pgp h THR 411 Ca 0.39 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.35 1pgp h THR 411 Cb 0.03 0.94 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1pgp h THR 411 CO -0.13 0.42 0.13 1.23 0.37 0.00 0.00 175.52 177.53 1pgp h GLY 412 N 0.97 0.71 0.73 2.16 0.00 0.31 -1.50 103.07 106.45 1pgp h GLY 412 Ca 0.14 -0.43 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1pgp h GLY 412 CO 0.04 0.40 0.24 -2.08 0.00 0.00 0.00 176.54 175.14 1pgp h VAL 413 N 0.54 0.95 -0.22 4.60 2.07 -0.85 0.17 116.25 123.51 1pgp h VAL 413 Ca 0.14 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1pgp h VAL 413 Cb 0.27 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1pgp h VAL 413 CO -0.00 0.09 0.13 -0.61 0.02 0.00 0.00 177.57 177.20 1pgp h GLN 414 N 0.48 0.27 -0.00 1.57 5.75 -0.61 -3.00 115.11 119.57 1pgp h GLN 414 Ca 0.22 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 1pgp h GLN 414 Cb 0.13 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.62 1pgp h GLN 414 CO -0.16 0.18 -0.08 0.00 -2.65 0.00 0.00 178.83 176.12 1pgp n ALA 415 N -2.17 2.55 -1.58 3.38 0.00 -0.61 -4.79 120.51 117.29 1pgp n ALA 415 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1pgp n ALA 415 Cb 0.04 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.07 1pgp n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pgp n GLY 416 N 1.46 0.40 3.66 0.00 0.00 0.43 -4.83 105.19 106.30 1pgp n GLY 416 Ca 0.08 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.75 1pgp n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgp s ILE 417 N -2.00 5.04 0.00 -0.61 1.09 -0.29 -5.01 121.20 119.42 1pgp s ILE 417 Ca 0.00 1.13 -0.30 0.00 -1.10 0.00 0.00 60.65 60.38 1pgp s ILE 417 Cb 0.00 -3.92 -0.07 0.00 -1.06 0.00 0.00 42.46 37.41 1pgp s ILE 417 CO 0.00 0.13 1.60 -2.16 -0.10 0.00 0.00 174.94 174.42 1pgp s PRO 418 N 1.79 4.21 -0.51 2.79 0.04 -1.26 -4.43 135.00 137.63 1pgp s PRO 418 Ca 0.28 2.20 0.07 0.00 0.04 0.00 0.00 61.00 63.59 1pgp s PRO 418 Cb -0.16 -3.76 0.36 0.00 0.04 0.00 0.00 34.50 30.98 1pgp s PRO 418 CO 0.10 -0.75 0.92 -1.33 0.04 0.00 0.00 177.00 175.98 1pgp n MET 419 N 6.21 2.66 -0.32 4.56 2.81 -1.26 -4.92 117.12 126.87 1pgp n MET 419 Ca 0.16 -4.42 0.16 0.00 -1.81 0.00 0.00 57.70 51.79 1pgp n MET 419 Cb 0.42 -2.08 0.40 0.00 -0.71 0.00 0.00 33.22 31.25 1pgp n MET 419 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1pgp h PRO 420 N 2.94 0.59 0.06 0.03 0.13 -1.94 -1.04 132.00 132.78 1pgp h PRO 420 Ca 0.13 -0.04 -0.30 0.00 -0.87 0.00 0.00 66.00 64.93 1pgp h PRO 420 Cb 0.68 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1pgp h PRO 420 CO 0.74 0.39 -1.60 0.00 -0.23 0.00 0.00 178.00 177.30 1pgp h PHE 422 N 0.04 1.15 -0.14 0.00 -1.00 -1.82 -2.18 116.94 112.99 1pgp h PHE 422 Ca -0.26 -0.30 -0.11 0.00 2.81 0.00 0.00 57.97 60.12 1pgp h PHE 422 Cb 1.99 -0.26 0.00 0.00 3.61 0.00 0.00 35.95 41.29 1pgp h PHE 422 CO 0.03 1.13 -0.35 1.79 -1.61 0.00 0.00 178.31 179.31 1pgp h THR 423 N 0.84 1.36 0.00 -1.55 1.35 -1.33 -2.86 112.91 110.72 1pgp h THR 423 Ca 0.10 -1.62 -0.06 0.00 -0.55 0.00 0.00 66.41 64.28 1pgp h THR 423 Cb 0.85 2.04 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1pgp h THR 423 CO 0.07 0.49 -0.28 0.00 -0.25 0.00 0.00 175.52 175.56 1pgp h THR 424 N 0.09 1.17 -0.50 6.82 1.03 -1.48 -0.52 112.91 119.52 1pgp h THR 424 Ca -0.00 -0.95 -0.11 0.00 -0.01 0.00 0.00 66.41 65.33 1pgp h THR 424 Cb 0.95 1.52 -0.02 0.00 -1.07 0.00 0.00 68.15 69.54 1pgp h THR 424 CO 0.08 0.27 -0.13 0.00 -0.01 0.00 0.00 175.52 175.73 1pgp h ALA 425 N 1.72 0.69 -0.22 0.00 0.00 -1.31 -0.93 119.26 119.21 1pgp h ALA 425 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1pgp h ALA 425 Cb 0.50 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pgp h ALA 425 CO 0.04 0.62 -0.19 1.25 0.00 0.00 0.00 179.25 180.97 1pgp h LEU 426 N 0.84 0.55 -0.67 0.00 5.85 -1.15 -0.19 115.31 120.54 1pgp h LEU 426 Ca 0.13 -0.46 0.11 0.00 0.84 0.00 0.00 57.88 58.49 1pgp h LEU 426 Cb 0.69 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1pgp h LEU 426 CO 0.05 0.89 0.27 0.28 -0.34 0.00 0.00 178.44 179.60 1pgp h SER 427 N 0.22 0.29 -0.11 1.25 0.02 -0.96 -0.04 113.55 114.21 1pgp h SER 427 Ca 0.04 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1pgp h SER 427 Cb 0.72 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.31 1pgp h SER 427 CO 0.05 0.16 0.01 0.15 -1.14 0.00 0.00 176.83 176.05 1pgp h PHE 428 N 0.46 0.20 -0.22 3.45 3.57 -1.05 0.45 116.94 123.81 1pgp h PHE 428 Ca 0.34 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.86 1pgp h PHE 428 Cb 0.44 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.07 1pgp h PHE 428 CO -0.15 0.42 -0.13 -0.92 -2.23 0.00 0.00 178.31 175.30 1pgp h TYR 429 N -0.08 -0.31 0.00 0.41 3.20 -0.25 0.24 116.97 120.17 1pgp h TYR 429 Ca 0.03 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.85 1pgp h TYR 429 Cb 0.33 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1pgp h TYR 429 CO 0.03 -0.19 -0.35 -0.44 -1.64 0.00 0.00 178.16 175.56 1pgp h ASP 430 N -0.11 0.00 -0.15 -2.11 3.32 -1.01 -2.14 116.42 114.21 1pgp h ASP 430 Ca 0.12 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.04 1pgp h ASP 430 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1pgp h ASP 430 CO -0.29 0.35 -0.42 1.23 -1.72 0.00 0.00 179.24 178.39 1pgp h GLY 431 N 1.49 0.62 1.35 2.75 0.00 0.03 -3.08 103.07 106.22 1pgp h GLY 431 Ca -0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 47.33 46.41 1pgp h GLY 431 CO 0.05 0.70 -0.37 -1.82 0.00 0.00 0.00 176.54 175.09 1pgp h TYR 432 N 0.20 0.86 -0.91 5.60 3.20 -0.48 -2.80 116.97 122.63 1pgp h TYR 432 Ca -0.01 -0.24 0.05 0.00 3.14 0.00 0.00 58.73 61.66 1pgp h TYR 432 Cb 1.04 -0.19 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 1pgp h TYR 432 CO 0.10 0.99 0.59 0.00 -1.64 0.00 0.00 178.16 178.20 1pgp h ARG 433 N 0.60 1.07 -6.02 1.82 3.08 -1.46 -3.44 114.38 110.02 1pgp h ARG 433 Ca 0.06 -0.06 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1pgp h ARG 433 Cb 0.91 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.65 1pgp h ARG 433 CO 0.08 0.71 0.51 -1.01 -1.07 0.00 0.00 179.97 179.19 1pgp s HIS 434 N -5.94 3.41 0.24 3.04 3.76 -1.06 -4.92 115.29 113.82 1pgp s HIS 434 Ca -0.12 1.36 -0.02 0.00 -0.15 0.00 0.00 55.06 56.12 1pgp s HIS 434 Cb 0.19 -3.10 0.26 0.00 1.11 0.00 0.00 32.58 31.04 1pgp s HIS 434 CO 0.80 -0.30 1.68 0.00 -0.85 0.00 0.00 174.74 176.07 1pgp h ALA 435 N 7.34 0.97 -3.28 -1.40 0.00 -1.87 -3.41 119.26 117.61 1pgp h ALA 435 Ca -0.27 -0.34 -0.67 0.00 0.00 0.00 0.00 54.91 53.63 1pgp h ALA 435 Cb 1.12 -0.15 -0.31 0.00 0.00 0.00 0.00 17.79 18.45 1pgp h ALA 435 CO 0.87 0.60 -0.83 1.41 0.00 0.00 0.00 179.25 181.31 1pgp s MET 436 N -4.67 3.18 0.12 0.00 -2.45 -1.26 -5.12 119.30 109.10 1pgp s MET 436 Ca -0.09 -0.79 0.07 0.00 -1.25 0.00 0.00 55.69 53.63 1pgp s MET 436 Cb 0.14 -2.50 -0.04 0.00 1.25 0.00 0.00 34.83 33.68 1pgp s MET 436 CO 0.82 0.12 -0.16 -0.51 1.05 0.00 0.00 175.02 176.35 1pgp s LEU 437 N 0.53 2.38 0.00 4.11 1.43 -1.26 -5.05 118.68 120.83 1pgp s LEU 437 Ca -0.12 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1pgp s LEU 437 Cb -0.16 -0.63 0.00 0.00 0.03 0.00 0.00 46.19 45.42 1pgp s LEU 437 CO 0.04 -0.10 0.64 -0.81 0.23 0.00 0.00 176.35 176.36 1pgp n PRO 438 N 0.63 0.88 0.00 1.29 -0.04 -1.26 -3.80 135.00 132.71 1pgp n PRO 438 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.42 1pgp n PRO 438 Cb 0.56 -1.27 0.52 0.00 -0.04 0.00 0.00 33.50 33.27 1pgp n PRO 438 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pgp n ALA 439 N 0.29 2.11 0.11 0.55 0.00 -1.26 -2.08 120.51 120.23 1pgp n ALA 439 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1pgp n ALA 439 Cb 0.32 -1.39 0.23 0.00 0.00 0.00 0.00 19.45 18.61 1pgp n ALA 439 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 1pgp h ASN 440 N 0.00 0.21 -0.54 0.00 -1.07 -2.00 -1.32 115.58 110.87 1pgp h ASN 440 Ca 0.00 -0.09 -0.04 0.00 0.07 0.00 0.00 56.30 56.24 1pgp h ASN 440 Cb 0.42 -0.06 -0.02 0.00 -2.07 0.00 0.00 38.32 36.59 1pgp h ASN 440 CO 0.00 0.62 0.19 0.25 0.07 0.00 0.00 177.43 178.56 1pgp h LEU 441 N 0.17 0.77 -0.78 6.14 5.85 -1.74 0.41 115.31 126.11 1pgp h LEU 441 Ca 0.01 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1pgp h LEU 441 Cb 0.83 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 1pgp h LEU 441 CO 0.06 0.75 0.49 0.40 -0.34 0.00 0.00 178.44 179.81 1pgp h ILE 442 N 0.74 1.10 -0.44 4.05 2.04 -1.52 0.16 117.51 123.64 1pgp h ILE 442 Ca 0.18 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 1pgp h ILE 442 Cb 0.24 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 1pgp h ILE 442 CO -0.01 0.17 -0.03 1.56 0.00 0.00 0.00 178.15 179.85 1pgp h GLN 443 N 0.95 0.74 -0.41 2.37 1.08 -0.78 -0.96 115.11 118.10 1pgp h GLN 443 Ca 0.32 -0.20 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 1pgp h GLN 443 Cb 0.04 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1pgp h GLN 443 CO -0.12 0.77 -0.16 0.00 -0.95 0.00 0.00 178.83 178.37 1pgp h ALA 444 N 1.28 0.57 0.25 3.87 0.00 0.07 -2.64 119.26 122.67 1pgp h ALA 444 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1pgp h ALA 444 Cb 0.47 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1pgp h ALA 444 CO 0.02 0.50 -0.12 1.96 0.00 0.00 0.00 179.25 181.61 1pgp h GLN 445 N 0.65 -0.33 -0.26 0.00 4.20 -0.82 -1.38 115.11 117.17 1pgp h GLN 445 Ca 0.10 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.90 1pgp h GLN 445 Cb 0.70 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1pgp h GLN 445 CO 0.05 -0.18 0.23 0.00 -0.67 0.00 0.00 178.83 178.26 1pgp h ARG 446 N -0.39 0.00 0.07 1.46 3.08 -1.14 -0.75 114.38 116.71 1pgp h ARG 446 Ca -0.03 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.74 1pgp h ARG 446 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1pgp h ARG 446 CO 0.06 0.00 -1.42 0.22 -1.07 0.00 0.00 179.97 177.76 1pgp h ASP 447 N 0.00 0.22 -0.22 7.04 3.58 -1.09 -1.44 116.42 124.52 1pgp h ASP 447 Ca 0.12 -0.31 -0.06 0.00 0.42 0.00 0.00 57.03 57.21 1pgp h ASP 447 Cb 0.58 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1pgp h ASP 447 CO -0.00 1.25 -0.09 0.22 -2.88 0.00 0.00 179.24 177.75 1pgp h TYR 448 N 0.04 0.50 0.00 0.28 5.03 -0.15 -2.77 116.97 119.91 1pgp h TYR 448 Ca -0.19 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.00 1pgp h TYR 448 Cb 1.95 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 40.11 1pgp h TYR 448 CO 0.04 0.71 -1.23 1.97 -1.32 0.00 0.00 178.16 178.33 1pgp n PHE 449 N -4.56 0.00 -1.78 -3.82 1.16 -0.40 -4.52 117.46 103.54 1pgp n PHE 449 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.54 1pgp n PHE 449 Cb 0.32 -0.17 0.01 0.00 -1.61 0.00 0.00 39.48 38.02 1pgp n PHE 449 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pgp n GLY 450 N 1.46 0.16 4.03 4.97 0.00 -0.58 -5.02 105.19 110.20 1pgp n GLY 450 Ca 0.00 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1pgp n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgp n ALA 451 N -0.07 -1.18 0.52 4.61 0.00 -0.96 -4.86 120.51 118.57 1pgp n ALA 451 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1pgp n ALA 451 Cb 0.66 -2.70 0.33 0.00 0.00 0.00 0.00 19.45 17.74 1pgp n ALA 451 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pgp n HIS 452 N -3.99 0.03 -0.78 0.00 8.25 -0.96 -4.91 115.22 112.85 1pgp n HIS 452 Ca 0.07 0.01 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 1pgp n HIS 452 Cb 0.48 -0.52 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 1pgp n HIS 452 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1pgp n THR 453 N -1.52 -0.67 -4.06 1.59 -2.24 -1.26 -4.99 114.28 101.13 1pgp n THR 453 Ca 0.04 0.56 -0.08 0.00 -2.27 0.00 0.00 64.05 62.29 1pgp n THR 453 Cb 0.18 -0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 67.46 1pgp n THR 453 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1pgp s TYR 454 N -3.86 0.54 0.08 4.78 -0.85 -0.33 -4.87 117.35 112.84 1pgp s TYR 454 Ca 0.00 -1.02 0.02 0.00 -0.52 0.00 0.00 57.07 55.55 1pgp s TYR 454 Cb 0.00 -0.34 -0.04 0.00 0.38 0.00 0.00 41.96 41.96 1pgp s TYR 454 CO 0.00 -0.47 0.13 -1.21 -1.52 0.00 0.00 175.55 172.49 1pgp s GLU 455 N -3.95 3.10 0.29 -3.49 2.02 -1.26 -0.55 118.70 114.86 1pgp s GLU 455 Ca 0.12 -0.60 -0.17 0.00 0.02 0.00 0.00 54.97 54.34 1pgp s GLU 455 Cb 0.07 -2.85 -0.09 0.00 0.10 0.00 0.00 34.13 31.37 1pgp s GLU 455 CO -0.06 0.58 0.75 -0.51 0.02 0.00 0.00 175.26 176.03 1pgp s LEU 456 N -2.46 4.17 0.38 1.80 1.02 -1.26 -4.98 118.68 117.34 1pgp s LEU 456 Ca 0.32 1.36 0.09 0.00 0.02 0.00 0.00 54.13 55.92 1pgp s LEU 456 Cb -0.12 -3.92 0.75 0.00 0.02 0.00 0.00 46.19 42.92 1pgp s LEU 456 CO 0.24 -0.12 1.90 0.25 0.02 0.00 0.00 176.35 178.64 1pgp h LEU 457 N 2.68 0.24 -8.81 1.79 5.85 -1.99 -3.10 115.31 111.97 1pgp h LEU 457 Ca -0.48 -0.05 -0.65 0.00 0.84 0.00 0.00 57.88 57.54 1pgp h LEU 457 Cb 1.18 -0.06 -0.18 0.00 0.37 0.00 0.00 40.66 41.97 1pgp h LEU 457 CO 0.65 0.41 -0.52 0.00 -0.34 0.00 0.00 178.44 178.64 1pgp s ALA 458 N -4.70 3.48 -0.34 1.25 0.00 -1.26 -4.37 121.76 115.82 1pgp s ALA 458 Ca -0.05 -1.19 -0.05 0.00 0.00 0.00 0.00 51.96 50.67 1pgp s ALA 458 Cb 0.15 -2.49 0.01 0.00 0.00 0.00 0.00 23.12 20.79 1pgp s ALA 458 CO 0.74 -0.68 0.38 1.17 0.00 0.00 0.00 175.76 177.37 1pgp n LYS 459 N 5.06 -1.14 -1.50 0.00 4.81 -1.26 -5.05 118.16 119.08 1pgp n LYS 459 Ca -0.14 1.30 -0.42 0.00 -0.87 0.00 0.00 58.31 58.19 1pgp n LYS 459 Cb 0.51 -4.01 0.01 0.00 0.02 0.00 0.00 35.03 31.56 1pgp n LYS 459 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1pgp n PRO 460 N -0.86 0.79 0.00 1.64 -0.04 -1.17 -3.76 135.00 131.60 1pgp n PRO 460 Ca 0.04 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 1pgp n PRO 460 Cb 0.38 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1pgp n PRO 460 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pgp n GLY 461 N 1.60 3.31 3.76 0.55 0.00 -1.26 -5.05 105.19 108.10 1pgp n GLY 461 Ca 0.11 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 1pgp n GLY 461 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pgp s GLN 462 N 0.00 4.55 -0.08 1.61 -0.21 -1.25 -5.04 119.66 119.23 1pgp s GLN 462 Ca 0.00 1.64 0.01 0.00 0.02 0.00 0.00 55.36 57.04 1pgp s GLN 462 Cb 0.00 -3.01 0.02 0.00 1.00 0.00 0.00 33.01 31.02 1pgp s GLN 462 CO 0.00 0.17 -0.11 -0.06 -2.12 0.00 0.00 175.29 173.17 1pgp s PHE 463 N -1.33 1.52 0.18 0.91 0.40 -1.26 -4.23 117.98 114.18 1pgp s PHE 463 Ca 0.48 -0.64 0.07 0.00 -0.60 0.00 0.00 56.93 56.24 1pgp s PHE 463 Cb -0.27 -1.16 -0.04 0.00 0.51 0.00 0.00 43.02 42.06 1pgp s PHE 463 CO 0.35 -0.37 0.02 0.42 0.70 0.00 0.00 175.22 176.34 1pgp s ILE 464 N 1.00 3.82 -0.06 0.64 -1.09 0.29 -4.87 121.20 120.93 1pgp s ILE 464 Ca -0.08 -1.42 0.01 0.00 -2.23 0.00 0.00 60.65 56.92 1pgp s ILE 464 Cb -0.15 -2.94 0.02 0.00 -1.58 0.00 0.00 42.46 37.81 1pgp s ILE 464 CO -0.00 -0.14 -0.04 -2.28 -1.23 0.00 0.00 174.94 171.24 1pgp s HIS 465 N -1.80 0.84 -0.04 3.97 5.65 -1.26 -1.19 115.29 121.47 1pgp s HIS 465 Ca 0.28 -0.26 -0.03 0.00 0.25 0.00 0.00 55.06 55.29 1pgp s HIS 465 Cb -0.09 -0.77 -0.04 0.00 -1.18 0.00 0.00 32.58 30.50 1pgp s HIS 465 CO 0.20 -0.25 0.16 0.99 -0.65 0.00 0.00 174.74 175.18 1pgp s THR 466 N 1.18 5.38 -0.79 0.89 2.01 -1.26 -5.02 115.64 118.02 1pgp s THR 466 Ca -0.07 -0.10 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 1pgp s THR 466 Cb -0.14 -3.47 0.09 0.00 0.01 0.00 0.00 72.50 68.99 1pgp s THR 466 CO -0.01 0.40 1.08 0.21 -0.69 0.00 0.00 174.62 175.61 1pgp s ASN 467 N -1.70 6.37 0.18 3.53 2.47 -1.26 -4.82 114.94 119.71 1pgp s ASN 467 Ca 0.24 -1.39 -0.02 0.00 0.42 0.00 0.00 52.86 52.11 1pgp s ASN 467 Cb -0.12 -2.43 0.06 0.00 -1.45 0.00 0.00 41.25 37.30 1pgp s ASN 467 CO 0.15 -1.33 1.44 -0.50 -3.72 0.00 0.00 177.10 173.13 1pgp h TRP 468 N 9.35 0.56 -0.99 0.43 4.06 -1.93 -3.38 115.95 124.05 1pgp h TRP 468 Ca -0.08 -0.25 0.26 0.00 2.06 0.00 0.00 58.89 60.88 1pgp h TRP 468 Cb 1.05 -0.09 -0.13 0.00 -1.00 0.00 0.00 29.16 28.99 1pgp h TRP 468 CO 1.08 1.00 0.56 0.00 -3.56 0.00 0.00 178.44 177.52 1pgp h THR 469 N 0.29 0.48 -1.82 1.49 1.03 -1.94 -3.40 112.91 109.05 1pgp h THR 469 Ca -0.03 -0.17 0.06 0.00 -0.01 0.00 0.00 66.41 66.26 1pgp h THR 469 Cb 1.29 -0.07 -0.22 0.00 -1.07 0.00 0.00 68.15 68.08 1pgp h THR 469 CO 0.12 0.09 0.09 -0.83 -0.01 0.00 0.00 175.52 174.99 1pgp s GLY 470 N -3.95 -0.48 -0.64 2.99 0.00 -1.26 -5.03 107.32 98.94 1pgp s GLY 470 Ca -0.11 2.62 0.00 0.00 0.00 0.00 0.00 44.72 47.24 1pgp s GLY 470 CO 0.79 2.64 1.77 1.57 0.00 0.00 0.00 173.10 179.87 1pgp n HIS 471 N 4.45 3.10 0.00 1.90 -0.00 -1.26 -4.90 115.22 118.51 1pgp n HIS 471 Ca -0.17 -2.68 0.00 0.00 0.46 0.00 0.00 57.72 55.33 1pgp n HIS 471 Cb 0.56 -0.98 0.00 0.00 -0.12 0.00 0.00 29.99 29.45 1pgp n HIS 471 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1pgp n GLY 472 N -0.69 4.43 0.97 1.57 0.00 -1.26 -5.24 105.19 104.97 1pgp n GLY 472 Ca 0.53 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1pgp n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93