#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgq n GLN 2 N 0.00 0.00 -2.32 0.00 7.27 -0.19 -4.86 117.38 117.29 1pgq n GLN 2 Ca 0.00 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.65 1pgq n GLN 2 Cb 0.00 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.62 1pgq n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pgq s ALA 3 N -1.05 3.52 0.12 1.69 0.00 0.08 -4.70 121.76 121.42 1pgq s ALA 3 Ca 0.00 0.85 -0.15 0.00 0.00 0.00 0.00 51.96 52.66 1pgq s ALA 3 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1pgq s ALA 3 CO 0.00 -0.72 1.57 -0.44 0.00 0.00 0.00 175.76 176.16 1pgq h ASP 4 N 7.35 0.70 -5.00 0.00 3.32 -0.81 -2.14 116.42 119.83 1pgq h ASP 4 Ca -0.39 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.22 1pgq h ASP 4 Cb 1.19 -0.19 -0.20 0.00 0.22 0.00 0.00 39.33 40.35 1pgq h ASP 4 CO 0.87 0.84 -0.42 -0.51 -1.72 0.00 0.00 179.24 178.30 1pgq s ILE 5 N -4.98 0.08 0.08 0.35 2.07 -1.20 -4.54 121.20 113.07 1pgq s ILE 5 Ca -0.13 -0.67 0.06 0.00 -1.41 0.00 0.00 60.65 58.50 1pgq s ILE 5 Cb 0.10 -0.55 -0.04 0.00 0.13 0.00 0.00 42.46 42.10 1pgq s ILE 5 CO 0.80 -0.37 -0.07 0.00 -1.91 0.00 0.00 174.94 173.39 1pgq s ALA 6 N -1.56 3.06 -0.05 1.50 0.00 -0.30 -2.30 121.76 122.11 1pgq s ALA 6 Ca -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1pgq s ALA 6 Cb -0.06 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.07 1pgq s ALA 6 CO 0.01 0.66 -0.04 -1.17 0.00 0.00 0.00 175.76 175.22 1pgq s LEU 7 N -2.11 1.17 -0.30 0.00 0.20 -0.91 -0.65 118.68 116.07 1pgq s LEU 7 Ca 0.22 -0.14 -0.08 0.00 0.69 0.00 0.00 54.13 54.82 1pgq s LEU 7 Cb -0.11 -0.49 0.00 0.00 -0.43 0.00 0.00 46.19 45.16 1pgq s LEU 7 CO 0.14 -0.08 0.11 -0.63 -0.29 0.00 0.00 176.35 175.60 1pgq s ILE 8 N 1.18 4.26 0.00 6.68 1.01 0.02 -1.34 121.20 133.01 1pgq s ILE 8 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1pgq s ILE 8 Cb -0.14 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1pgq s ILE 8 CO -0.01 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.60 1pgq n GLY 9 N 4.92 0.29 1.95 6.18 0.00 -0.74 -1.40 105.19 116.40 1pgq n GLY 9 Ca -0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 1pgq n GLY 9 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pgq n LEU 10 N 0.00 6.20 -4.95 0.99 4.77 -1.26 -3.67 117.00 119.08 1pgq n LEU 10 Ca 0.00 -3.30 -0.28 0.00 -0.03 0.00 0.00 56.01 52.41 1pgq n LEU 10 Cb 0.00 -1.13 0.16 0.00 -2.33 0.00 0.00 43.42 40.12 1pgq n LEU 10 CO 0.00 1.33 0.77 0.00 -1.33 0.00 0.00 177.39 178.15 1pgq s ALA 11 N -1.29 2.74 0.19 -1.18 0.00 -1.26 -4.73 121.76 116.23 1pgq s ALA 11 Ca 0.34 -1.38 -0.12 0.00 0.00 0.00 0.00 51.96 50.80 1pgq s ALA 11 Cb 0.24 -2.51 0.18 0.00 0.00 0.00 0.00 23.12 21.02 1pgq s ALA 11 CO -0.04 -2.10 1.76 0.28 0.00 0.00 0.00 175.76 175.66 1pgq h VAL 12 N -1.26 0.87 -0.66 0.00 2.07 -1.99 -0.83 116.25 114.45 1pgq h VAL 12 Ca -0.42 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.02 1pgq h VAL 12 Cb 1.25 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.37 1pgq h VAL 12 CO 0.39 0.08 0.36 -0.03 0.02 0.00 0.00 177.57 178.38 1pgq h MET 13 N 0.43 0.64 -0.24 1.57 1.85 -1.92 -0.19 114.93 117.06 1pgq h MET 13 Ca 0.25 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.25 1pgq h MET 13 Cb 0.23 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1pgq h MET 13 CO -0.22 0.42 -0.04 0.78 -0.40 0.00 0.00 176.91 177.45 1pgq h GLY 14 N 0.66 0.48 0.97 1.39 0.00 -1.40 -2.20 103.07 102.96 1pgq h GLY 14 Ca 0.30 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1pgq h GLY 14 CO -0.19 0.35 -0.10 1.46 0.00 0.00 0.00 176.54 178.06 1pgq h GLN 15 N 0.19 -0.27 -0.52 4.80 4.20 -0.73 -0.71 115.11 122.06 1pgq h GLN 15 Ca 0.06 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1pgq h GLN 15 Cb 0.49 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1pgq h GLN 15 CO 0.02 -0.15 0.26 -0.91 -0.67 0.00 0.00 178.83 177.38 1pgq h ASN 16 N -0.32 0.64 -0.01 1.46 -0.26 -1.09 -0.73 115.58 115.28 1pgq h ASN 16 Ca -0.03 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.66 1pgq h ASN 16 Cb 0.24 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1pgq h ASN 16 CO 0.05 0.54 -0.01 0.25 -1.06 0.00 0.00 177.43 177.19 1pgq h LEU 17 N 0.72 0.03 -0.75 1.61 5.85 -1.09 -1.44 115.31 120.24 1pgq h LEU 17 Ca 0.18 -0.55 0.16 0.00 0.84 0.00 0.00 57.88 58.51 1pgq h LEU 17 Cb 0.05 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 40.97 1pgq h LEU 17 CO -0.03 0.57 0.22 0.40 -0.34 0.00 0.00 178.44 179.26 1pgq h ILE 18 N -0.52 0.54 0.08 4.05 2.04 -0.93 -1.27 117.51 121.50 1pgq h ILE 18 Ca 0.00 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1pgq h ILE 18 Cb 0.57 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1pgq h ILE 18 CO 0.00 0.06 -0.04 -0.07 0.00 0.00 0.00 178.15 178.10 1pgq h LEU 19 N 0.31 -0.09 -0.98 1.44 4.07 -1.10 -1.18 115.31 117.78 1pgq h LEU 19 Ca 0.42 -0.12 0.11 0.00 0.08 0.00 0.00 57.88 58.37 1pgq h LEU 19 Cb 0.71 0.02 -0.08 0.00 1.08 0.00 0.00 40.66 42.40 1pgq h LEU 19 CO -0.49 0.07 0.61 -1.13 -1.08 0.00 0.00 178.44 176.42 1pgq h ASN 20 N -0.25 0.91 0.26 -0.43 -0.73 -0.72 -1.46 115.58 113.16 1pgq h ASN 20 Ca -0.01 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1pgq h ASN 20 Cb 0.21 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 38.66 1pgq h ASN 20 CO 0.02 0.50 -0.12 0.24 -0.37 0.00 0.00 177.43 177.70 1pgq h MET 21 N 1.00 -0.34 -0.45 6.67 2.86 -1.01 -2.60 114.93 121.06 1pgq h MET 21 Ca 0.47 0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.22 1pgq h MET 21 Cb 0.42 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.06 1pgq h MET 21 CO -0.25 -0.09 -0.32 -0.97 1.06 0.00 0.00 176.91 176.34 1pgq h ASN 22 N -0.55 -1.09 -0.20 1.22 -1.24 -0.93 0.21 115.58 113.00 1pgq h ASN 22 Ca -0.04 0.20 0.06 0.00 0.71 0.00 0.00 56.30 57.23 1pgq h ASN 22 Cb 0.40 0.52 -0.01 0.00 0.73 0.00 0.00 38.32 39.97 1pgq h ASN 22 CO 0.06 -0.31 0.32 0.44 -1.29 0.00 0.00 177.43 176.65 1pgq h ASP 23 N -0.22 0.00 -0.48 1.15 3.32 -1.11 0.28 116.42 119.36 1pgq h ASP 23 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1pgq h ASP 23 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1pgq h ASP 23 CO -0.57 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.36 1pgq n HIS 24 N -3.46 1.62 -2.70 4.55 8.25 0.04 -4.92 115.22 118.61 1pgq n HIS 24 Ca 0.02 -0.57 -0.09 0.00 -0.26 0.00 0.00 57.72 56.83 1pgq n HIS 24 Cb 0.44 -0.40 0.05 0.00 1.12 0.00 0.00 29.99 31.19 1pgq n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pgq n GLY 25 N 0.59 -0.01 2.99 -1.41 0.00 0.98 -5.06 105.19 103.26 1pgq n GLY 25 Ca 0.22 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 1pgq n GLY 25 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgq s PHE 26 N -3.19 1.36 -0.17 1.61 0.08 -1.08 -5.01 117.98 111.58 1pgq s PHE 26 Ca 0.04 -0.53 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 1pgq s PHE 26 Cb -0.00 -1.04 -0.00 0.00 -0.57 0.00 0.00 43.02 41.40 1pgq s PHE 26 CO 0.38 -0.31 1.03 0.08 -0.10 0.00 0.00 175.22 176.31 1pgq s VAL 27 N 0.88 4.72 -0.11 -0.44 1.01 -1.26 -3.30 120.40 121.89 1pgq s VAL 27 Ca -0.11 2.02 0.02 0.00 0.00 0.00 0.00 61.98 63.91 1pgq s VAL 27 Cb -0.15 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1pgq s VAL 27 CO 0.01 -0.09 -0.17 -0.69 0.00 0.00 0.00 175.10 174.16 1pgq s VAL 28 N 2.62 2.69 -0.38 2.92 1.01 -1.26 -0.11 120.40 127.88 1pgq s VAL 28 Ca 0.46 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 1pgq s VAL 28 Cb -0.17 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.13 1pgq s VAL 28 CO 0.12 0.54 0.42 0.00 0.00 0.00 0.00 175.10 176.18 1pgq s ALA 30 N 2.12 3.55 0.05 0.00 0.00 -0.39 -2.14 121.76 124.95 1pgq s ALA 30 Ca 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 1pgq s ALA 30 Cb -0.17 -2.56 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 1pgq s ALA 30 CO 0.13 0.44 0.12 0.12 0.00 0.00 0.00 175.76 176.56 1pgq s PHE 31 N -1.52 0.21 0.06 0.00 5.36 -0.45 -1.36 117.98 120.28 1pgq s PHE 31 Ca 0.40 -0.56 -0.25 0.00 -0.96 0.00 0.00 56.93 55.56 1pgq s PHE 31 Cb -0.15 -0.14 0.06 0.00 -0.34 0.00 0.00 43.02 42.46 1pgq s PHE 31 CO 0.19 -0.42 0.59 1.21 -1.46 0.00 0.00 175.22 175.33 1pgq s ASN 32 N -2.39 -0.54 0.05 6.13 3.84 -1.26 -1.79 114.94 118.98 1pgq s ASN 32 Ca -0.01 0.25 -0.28 0.00 0.21 0.00 0.00 52.86 53.02 1pgq s ASN 32 Cb 0.01 0.54 -0.17 0.00 -0.55 0.00 0.00 41.25 41.08 1pgq s ASN 32 CO -0.07 -0.78 1.50 -0.09 -2.79 0.00 0.00 177.10 174.88 1pgq h ARG 33 N 2.57 -0.55 -4.85 0.43 2.43 -2.01 -3.22 114.38 109.18 1pgq h ARG 33 Ca -0.31 0.04 -0.71 0.00 -0.81 0.00 0.00 59.98 58.19 1pgq h ARG 33 Cb 1.23 0.13 -0.19 0.00 -0.42 0.00 0.00 29.97 30.71 1pgq h ARG 33 CO 0.40 -0.30 0.76 0.95 -1.51 0.00 0.00 179.97 180.26 1pgq s THR 34 N -5.57 4.86 0.64 0.20 -4.23 -1.26 -4.86 115.64 105.42 1pgq s THR 34 Ca -0.16 -1.75 0.17 0.00 -1.18 0.00 0.00 61.69 58.78 1pgq s THR 34 Cb 0.03 -4.74 0.21 0.00 1.34 0.00 0.00 72.50 69.34 1pgq s THR 34 CO 0.60 -1.45 1.44 1.62 -0.54 0.00 0.00 174.62 176.29 1pgq h VAL 35 N 5.64 0.05 -0.49 2.29 3.04 -1.96 -0.61 116.25 124.20 1pgq h VAL 35 Ca 0.16 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.90 1pgq h VAL 35 Cb 1.02 0.28 -0.05 0.00 -2.01 0.00 0.00 31.29 30.53 1pgq h VAL 35 CO 1.07 0.00 0.23 0.28 -1.01 0.00 0.00 177.57 178.14 1pgq h SER 36 N 0.00 0.32 -0.39 3.17 0.02 -1.91 -2.44 113.55 112.33 1pgq h SER 36 Ca 0.11 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.21 1pgq h SER 36 Cb 1.67 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 1pgq h SER 36 CO -0.00 0.22 0.30 0.50 -1.14 0.00 0.00 176.83 176.71 1pgq h LYS 37 N 0.45 0.00 -0.09 3.45 3.11 -1.50 0.19 116.57 122.18 1pgq h LYS 37 Ca 0.22 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1pgq h LYS 37 Cb 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1pgq h LYS 37 CO -0.17 0.00 0.03 0.28 -2.81 0.00 0.00 179.45 176.78 1pgq h VAL 38 N 0.00 1.17 -0.74 2.00 2.07 -1.60 -0.98 116.25 118.17 1pgq h VAL 38 Ca 0.18 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1pgq h VAL 38 Cb 0.79 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.88 1pgq h VAL 38 CO -0.00 0.15 0.42 0.44 0.02 0.00 0.00 177.57 178.60 1pgq h ASP 39 N -0.04 0.91 0.67 0.57 3.32 -0.70 -1.20 116.42 119.94 1pgq h ASP 39 Ca 0.03 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1pgq h ASP 39 Cb 0.21 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1pgq h ASP 39 CO -0.00 0.73 -0.40 -0.78 -1.72 0.00 0.00 179.24 177.07 1pgq h ASP 40 N 1.01 -1.01 -0.57 6.45 3.58 -1.17 -2.09 116.42 122.63 1pgq h ASP 40 Ca 0.26 0.06 0.11 0.00 0.42 0.00 0.00 57.03 57.88 1pgq h ASP 40 Cb 0.01 0.29 -0.11 0.00 1.72 0.00 0.00 39.33 41.24 1pgq h ASP 40 CO -0.04 -0.63 -0.16 0.15 -2.88 0.00 0.00 179.24 175.68 1pgq h PHE 41 N -1.00 -0.35 -0.87 0.28 3.57 -0.81 -0.83 116.94 116.93 1pgq h PHE 41 Ca -0.08 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1pgq h PHE 41 Cb 0.81 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1pgq h PHE 41 CO -0.09 -0.26 0.48 -0.07 -2.23 0.00 0.00 178.31 176.14 1pgq h LEU 42 N -0.02 1.08 -0.10 0.59 3.38 -1.06 -0.14 115.31 119.03 1pgq h LEU 42 Ca 0.27 -0.09 -0.22 0.00 0.09 0.00 0.00 57.88 57.93 1pgq h LEU 42 Cb 0.44 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 40.93 1pgq h LEU 42 CO -0.60 0.86 -0.81 0.00 0.09 0.00 0.00 178.44 177.98 1pgq h ALA 43 N 1.32 0.23 -3.00 1.53 0.00 -1.06 -2.95 119.26 115.33 1pgq h ALA 43 Ca 0.31 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pgq h ALA 43 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pgq h ALA 43 CO -0.05 0.63 0.00 0.09 0.00 0.00 0.00 179.25 179.92 1pgq n ASN 44 N -3.97 0.00 -0.12 0.00 3.02 -0.34 -4.27 115.26 109.58 1pgq n ASN 44 Ca -0.09 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.72 1pgq n ASN 44 Cb 0.76 0.00 0.71 0.00 -0.61 0.00 0.00 39.78 40.65 1pgq n ASN 44 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1pgq h GLU 45 N 0.00 0.00 -0.31 3.52 3.07 -1.70 -0.15 114.58 119.01 1pgq h GLU 45 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pgq h GLU 45 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pgq h GLU 45 CO 0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1pgq n ALA 46 N -2.69 2.45 -1.83 3.43 0.00 -0.10 -4.94 120.51 116.82 1pgq n ALA 46 Ca 0.16 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.31 1pgq n ALA 46 Cb 0.85 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 1pgq n ALA 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1pgq s LYS 47 N -1.61 4.17 0.00 0.00 2.47 -0.07 -1.55 119.74 123.15 1pgq s LYS 47 Ca 0.36 2.47 0.00 0.00 -1.56 0.00 0.00 55.97 57.25 1pgq s LYS 47 Cb 0.21 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1pgq s LYS 47 CO 0.30 -0.73 0.00 0.41 0.16 0.00 0.00 175.35 175.49 1pgq n GLY 48 N 3.98 1.10 3.94 5.54 0.00 -1.26 -5.04 105.19 113.45 1pgq n GLY 48 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 1pgq n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pgq s THR 49 N -2.94 2.12 -2.08 2.61 -4.23 -0.59 -4.99 115.64 105.54 1pgq s THR 49 Ca 0.00 -0.20 0.22 0.00 -1.18 0.00 0.00 61.69 60.53 1pgq s THR 49 Cb 0.00 -2.93 0.58 0.00 1.34 0.00 0.00 72.50 71.49 1pgq s THR 49 CO 0.00 0.00 1.77 0.29 -0.54 0.00 0.00 174.62 176.14 1pgq n LYS 50 N -3.23 1.17 -2.51 3.99 5.02 -1.26 -4.94 118.16 116.40 1pgq n LYS 50 Ca 0.11 -0.26 -0.38 0.00 -2.02 0.00 0.00 58.31 55.77 1pgq n LYS 50 Cb 0.60 -1.36 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 1pgq n LYS 50 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1pgq s VAL 51 N -1.96 3.63 0.08 -0.18 -7.23 -1.26 -4.63 120.40 108.84 1pgq s VAL 51 Ca 0.33 1.35 0.02 0.00 -1.81 0.00 0.00 61.98 61.87 1pgq s VAL 51 Cb 0.16 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.31 1pgq s VAL 51 CO 0.26 0.11 0.12 -0.76 -0.31 0.00 0.00 175.10 174.51 1pgq s LEU 52 N -2.32 3.96 -0.09 1.32 1.43 -0.22 -4.99 118.68 117.77 1pgq s LEU 52 Ca 0.54 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1pgq s LEU 52 Cb -0.25 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.37 1pgq s LEU 52 CO 0.32 0.17 -0.12 -0.83 0.23 0.00 0.00 176.35 176.11 1pgq s GLY 53 N -2.46 0.86 0.37 -3.19 0.00 -1.26 -1.26 107.32 100.39 1pgq s GLY 53 Ca 0.31 -0.52 -0.01 0.00 0.00 0.00 0.00 44.72 44.50 1pgq s GLY 53 CO 0.24 0.30 0.59 0.00 0.00 0.00 0.00 173.10 174.23 1pgq s ALA 54 N 0.97 3.64 -0.02 3.20 0.00 -0.46 -4.92 121.76 124.17 1pgq s ALA 54 Ca -0.08 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1pgq s ALA 54 Cb -0.15 -2.20 0.03 0.00 0.00 0.00 0.00 23.12 20.80 1pgq s ALA 54 CO -0.00 -0.07 0.97 0.72 0.00 0.00 0.00 175.76 177.37 1pgq n HIS 55 N -1.85 0.00 -3.55 0.00 8.25 -1.26 -4.78 115.22 112.03 1pgq n HIS 55 Ca -0.04 -0.50 -0.14 0.00 -0.26 0.00 0.00 57.72 56.78 1pgq n HIS 55 Cb 0.56 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.56 1pgq n HIS 55 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1pgq s SER 56 N -1.12 -0.52 0.20 0.41 1.04 -1.26 -5.02 113.70 107.42 1pgq s SER 56 Ca 0.04 0.59 -0.11 0.00 0.48 0.00 0.00 55.95 56.95 1pgq s SER 56 Cb 0.03 0.46 0.21 0.00 0.10 0.00 0.00 66.02 66.82 1pgq s SER 56 CO 0.00 -0.47 1.76 -0.07 0.98 0.00 0.00 173.24 175.45 1pgq h LEU 57 N 2.87 0.29 -1.09 2.42 3.38 -1.97 -0.44 115.31 120.78 1pgq h LEU 57 Ca -0.23 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1pgq h LEU 57 Cb 1.15 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 1pgq h LEU 57 CO 0.34 0.19 -0.09 -0.33 0.09 0.00 0.00 178.44 178.64 1pgq h GLU 58 N 0.45 0.55 0.49 1.13 3.07 -1.98 0.22 114.58 118.51 1pgq h GLU 58 Ca 0.27 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1pgq h GLU 58 Cb 0.26 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1pgq h GLU 58 CO -0.24 0.64 -0.24 1.49 -1.40 0.00 0.00 179.01 179.26 1pgq h GLU 59 N 0.51 -0.64 -0.80 2.33 4.81 -1.86 -1.90 114.58 117.03 1pgq h GLU 59 Ca 0.10 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.54 1pgq h GLU 59 Cb 0.46 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.88 1pgq h GLU 59 CO 0.02 -0.36 0.33 1.98 -0.73 0.00 0.00 179.01 180.25 1pgq h MET 60 N -0.80 0.43 -0.08 1.92 4.05 -0.53 0.22 114.93 120.13 1pgq h MET 60 Ca -0.07 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 1pgq h MET 60 Cb 0.57 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.26 1pgq h MET 60 CO 0.11 0.28 -0.20 -0.24 0.23 0.00 0.00 176.91 177.09 1pgq h VAL 61 N 0.44 1.19 -0.13 -5.77 3.04 -0.46 -2.65 116.25 111.91 1pgq h VAL 61 Ca 0.46 -0.85 -0.18 0.00 -1.01 0.00 0.00 66.70 65.11 1pgq h VAL 61 Cb 0.75 1.35 -0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1pgq h VAL 61 CO -0.44 0.25 -0.66 0.28 -1.01 0.00 0.00 177.57 175.99 1pgq h SER 62 N 0.12 0.60 0.46 3.17 0.02 0.23 -3.17 113.55 114.98 1pgq h SER 62 Ca 0.02 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1pgq h SER 62 Cb 0.43 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1pgq h SER 62 CO 0.03 1.10 0.00 0.29 -1.14 0.00 0.00 176.83 177.11 1pgq n LYS 63 N -3.90 0.14 -3.02 3.45 4.76 -0.65 -1.54 118.16 117.40 1pgq n LYS 63 Ca -0.04 0.46 -0.37 0.00 -2.87 0.00 0.00 58.31 55.49 1pgq n LYS 63 Cb 0.67 -1.81 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 1pgq n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pgq s LEU 64 N -4.16 4.38 0.51 -0.35 1.43 -1.20 -0.74 118.68 118.55 1pgq s LEU 64 Ca 0.03 1.54 -0.08 0.00 -1.03 0.00 0.00 54.13 54.59 1pgq s LEU 64 Cb 0.08 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 1pgq s LEU 64 CO 0.29 0.04 0.85 -0.54 0.23 0.00 0.00 176.35 177.22 1pgq s LYS 65 N -1.87 3.60 -0.03 1.70 1.02 -0.81 -3.96 119.74 119.39 1pgq s LYS 65 Ca 0.43 0.39 -0.09 0.00 0.02 0.00 0.00 55.97 56.72 1pgq s LYS 65 Cb -0.18 -2.30 -0.05 0.00 -0.52 0.00 0.00 37.83 34.79 1pgq s LYS 65 CO 0.22 -0.28 0.28 0.15 -0.92 0.00 0.00 175.35 174.80 1pgq s LYS 66 N -4.72 3.64 0.08 1.68 1.02 -1.26 -2.73 119.74 117.44 1pgq s LYS 66 Ca 0.50 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 56.24 1pgq s LYS 66 Cb -0.10 -3.14 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 1pgq s LYS 66 CO 0.45 0.69 1.26 -2.14 -0.92 0.00 0.00 175.35 174.69 1pgq s PRO 67 N -1.38 4.40 0.04 -1.68 0.02 -1.26 -5.08 135.00 130.05 1pgq s PRO 67 Ca 0.23 1.86 -0.33 0.00 0.02 0.00 0.00 61.00 62.78 1pgq s PRO 67 Cb -0.14 -3.32 -0.12 0.00 0.02 0.00 0.00 34.50 30.94 1pgq s PRO 67 CO 0.12 -0.31 1.82 0.54 -0.33 0.00 0.00 177.00 178.83 1pgq n ARG 68 N 3.96 2.42 -3.98 5.54 1.74 -1.11 -4.80 116.66 120.44 1pgq n ARG 68 Ca 0.10 0.88 -0.34 0.00 -0.77 0.00 0.00 57.85 57.72 1pgq n ARG 68 Cb 0.45 -2.74 -0.14 0.00 -1.02 0.00 0.00 32.46 29.01 1pgq n ARG 68 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1pgq s ARG 69 N 3.07 2.55 0.08 5.56 0.52 -1.26 -0.25 118.95 129.22 1pgq s ARG 69 Ca 0.86 -1.16 0.09 0.00 -0.52 0.00 0.00 55.73 55.00 1pgq s ARG 69 Cb -0.60 -3.01 -0.03 0.00 0.52 0.00 0.00 34.95 31.83 1pgq s ARG 69 CO 0.44 -0.51 -0.23 -1.50 0.02 0.00 0.00 175.30 173.51 1pgq s ILE 70 N 1.24 1.91 -0.10 1.52 -1.16 -0.78 -1.15 121.20 122.70 1pgq s ILE 70 Ca -0.04 -1.47 0.03 0.00 -0.51 0.00 0.00 60.65 58.66 1pgq s ILE 70 Cb -0.18 -1.69 -0.01 0.00 0.61 0.00 0.00 42.46 41.19 1pgq s ILE 70 CO -0.04 0.13 -0.20 -0.63 -2.81 0.00 0.00 174.94 171.39 1pgq s ILE 71 N -0.97 2.47 -0.39 2.00 1.01 0.17 -0.88 121.20 124.61 1pgq s ILE 71 Ca 0.10 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1pgq s ILE 71 Cb -0.10 -1.97 0.04 0.00 0.01 0.00 0.00 42.46 40.45 1pgq s ILE 71 CO 0.04 0.55 0.23 -0.76 0.00 0.00 0.00 174.94 175.00 1pgq s LEU 72 N 0.15 4.89 -0.56 2.97 1.43 0.72 -0.80 118.68 127.49 1pgq s LEU 72 Ca -0.11 -1.15 0.05 0.00 -1.03 0.00 0.00 54.13 51.90 1pgq s LEU 72 Cb -0.16 -2.03 0.35 0.00 0.03 0.00 0.00 46.19 44.38 1pgq s LEU 72 CO 0.06 -0.44 0.95 0.18 0.23 0.00 0.00 176.35 177.32 1pgq n LEU 73 N 4.99 4.30 -4.47 1.79 4.77 -0.49 0.03 117.00 127.92 1pgq n LEU 73 Ca -0.11 -5.62 -0.36 0.00 -0.03 0.00 0.00 56.01 49.89 1pgq n LEU 73 Cb 0.45 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1pgq n LEU 73 CO 0.38 2.35 -0.29 -0.69 -1.33 0.00 0.00 177.39 177.81 1pgq s VAL 74 N -4.42 4.28 -0.11 4.08 1.01 -1.26 -4.37 120.40 119.62 1pgq s VAL 74 Ca 0.48 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1pgq s VAL 74 Cb 0.29 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 1pgq s VAL 74 CO -0.14 0.38 1.72 -0.75 0.00 0.00 0.00 175.10 176.32 1pgq s LYS 75 N 1.28 3.98 0.03 2.72 2.36 -1.26 -4.54 119.74 124.31 1pgq s LYS 75 Ca 0.04 2.07 -0.29 0.00 -2.55 0.00 0.00 55.97 55.25 1pgq s LYS 75 Cb -0.15 -4.05 0.10 0.00 -1.05 0.00 0.00 37.83 32.68 1pgq s LYS 75 CO 0.03 -1.09 1.14 0.00 1.55 0.00 0.00 175.35 176.97 1pgq s ALA 76 N 4.78 -1.99 0.00 3.13 0.00 -1.26 -4.88 121.76 121.54 1pgq s ALA 76 Ca 0.77 0.57 0.00 0.00 0.00 0.00 0.00 51.96 53.30 1pgq s ALA 76 Cb -0.32 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1pgq s ALA 76 CO 0.31 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1pgq n GLY 77 N -0.44 0.52 0.37 0.00 0.00 -1.26 -4.62 105.19 99.76 1pgq n GLY 77 Ca -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1pgq n GLY 77 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1pgq h GLN 78 N 0.00 -0.21 -0.93 1.61 5.75 -2.00 -2.84 115.11 116.49 1pgq h GLN 78 Ca 0.00 0.01 0.27 0.00 -0.15 0.00 0.00 58.65 58.79 1pgq h GLN 78 Cb 0.00 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1pgq h GLN 78 CO 0.00 -0.14 0.69 0.00 -2.65 0.00 0.00 178.83 176.73 1pgq h ALA 79 N 0.76 2.87 0.04 3.38 0.00 -1.92 -1.02 119.26 123.36 1pgq h ALA 79 Ca 0.19 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1pgq h ALA 79 Cb 0.56 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1pgq h ALA 79 CO -0.65 -1.17 -0.02 0.28 0.00 0.00 0.00 179.25 177.69 1pgq h VAL 80 N 0.00 1.28 -0.75 0.00 2.07 -1.83 -2.42 116.25 114.60 1pgq h VAL 80 Ca 0.44 -1.11 0.13 0.00 0.82 0.00 0.00 66.70 66.99 1pgq h VAL 80 Cb 1.82 2.01 -0.09 0.00 -1.52 0.00 0.00 31.29 33.51 1pgq h VAL 80 CO -0.00 0.28 0.33 0.44 0.02 0.00 0.00 177.57 178.63 1pgq h ASP 81 N -0.55 0.36 -0.60 0.57 3.32 -1.31 -0.58 116.42 117.62 1pgq h ASP 81 Ca -0.01 0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1pgq h ASP 81 Cb 0.50 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1pgq h ASP 81 CO 0.01 0.16 0.40 0.78 -1.72 0.00 0.00 179.24 178.87 1pgq h ASN 82 N 0.51 0.68 -0.41 6.45 -0.26 -1.45 0.28 115.58 121.37 1pgq h ASN 82 Ca 0.40 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 56.03 1pgq h ASN 82 Cb 0.55 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.62 1pgq h ASN 82 CO -0.36 0.49 -0.05 -0.26 -1.06 0.00 0.00 177.43 176.20 1pgq h PHE 83 N 0.81 0.91 -0.44 1.19 0.04 -0.80 -1.44 116.94 117.21 1pgq h PHE 83 Ca 0.22 -0.15 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 1pgq h PHE 83 Cb -0.08 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.80 1pgq h PHE 83 CO -0.03 0.86 0.06 0.82 -0.60 0.00 0.00 178.31 179.41 1pgq h ILE 84 N 0.77 1.21 0.46 -0.55 2.04 -0.36 0.34 117.51 121.42 1pgq h ILE 84 Ca 0.14 -0.82 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1pgq h ILE 84 Cb 0.54 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1pgq h ILE 84 CO 0.03 0.29 -0.35 -0.08 0.00 0.00 0.00 178.15 178.04 1pgq h GLU 85 N 0.66 -0.77 0.34 2.37 4.57 0.23 -2.44 114.58 119.53 1pgq h GLU 85 Ca 0.14 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 1pgq h GLU 85 Cb 0.32 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 1pgq h GLU 85 CO 0.01 -0.51 -0.27 0.87 -1.18 0.00 0.00 179.01 177.93 1pgq h LYS 86 N -0.80 -0.58 -0.82 1.92 6.56 -0.85 -3.27 116.57 118.72 1pgq h LYS 86 Ca -0.05 0.04 0.03 0.00 -1.06 0.00 0.00 60.65 59.62 1pgq h LYS 86 Cb 0.68 0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.43 1pgq h LYS 86 CO 0.00 -0.39 0.54 -0.07 -2.06 0.00 0.00 179.45 177.48 1pgq h LEU 87 N -0.61 0.88 -0.57 2.94 3.38 -0.84 -3.26 115.31 117.24 1pgq h LEU 87 Ca -0.03 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1pgq h LEU 87 Cb 0.53 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1pgq h LEU 87 CO -0.01 0.61 0.28 0.58 0.09 0.00 0.00 178.44 179.99 1pgq h VAL 88 N 1.03 1.20 -0.82 1.22 2.07 -1.49 -1.71 116.25 117.75 1pgq h VAL 88 Ca 0.33 -0.57 0.18 0.00 0.82 0.00 0.00 66.70 67.45 1pgq h VAL 88 Cb 0.02 0.54 -0.16 0.00 -1.52 0.00 0.00 31.29 30.17 1pgq h VAL 88 CO -0.09 0.23 -0.16 -2.65 0.02 0.00 0.00 177.57 174.91 1pgq n PRO 89 N -4.56 -0.07 0.00 1.57 -0.02 -1.23 -1.49 135.00 129.20 1pgq n PRO 89 Ca 0.03 1.27 0.13 0.00 -2.02 0.00 0.00 63.50 62.91 1pgq n PRO 89 Cb 0.12 -1.92 0.57 0.00 -0.02 0.00 0.00 33.50 32.24 1pgq n PRO 89 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1pgq n LEU 90 N -5.31 0.00 -4.57 2.45 7.99 -0.68 -4.89 117.00 111.99 1pgq n LEU 90 Ca 0.14 0.49 -0.34 0.00 -0.01 0.00 0.00 56.01 56.29 1pgq n LEU 90 Cb 0.46 -0.49 -0.11 0.00 -0.11 0.00 0.00 43.42 43.16 1pgq n LEU 90 CO -0.09 -0.05 -0.38 -0.76 -1.51 0.00 0.00 177.39 174.60 1pgq s LEU 91 N -2.97 3.13 0.75 2.23 1.43 -0.55 -5.06 118.68 117.64 1pgq s LEU 91 Ca 0.13 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1pgq s LEU 91 Cb 0.17 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.75 1pgq s LEU 91 CO 0.48 0.36 1.08 -1.81 0.23 0.00 0.00 176.35 176.68 1pgq s ASP 92 N -0.80 4.89 0.06 2.29 1.01 -1.26 -4.99 116.67 117.87 1pgq s ASP 92 Ca 0.12 1.50 -0.31 0.00 0.71 0.00 0.00 52.55 54.57 1pgq s ASP 92 Cb -0.11 -2.30 -0.07 0.00 1.01 0.00 0.00 42.92 41.45 1pgq s ASP 92 CO 0.01 -1.74 1.47 -0.63 0.21 0.00 0.00 175.17 174.49 1pgq s ILE 93 N -3.08 3.36 0.00 0.77 1.01 -1.26 -2.27 121.20 119.73 1pgq s ILE 93 Ca 0.60 0.86 0.00 0.00 0.00 0.00 0.00 60.65 62.10 1pgq s ILE 93 Cb -0.15 -3.55 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1pgq s ILE 93 CO 0.55 0.02 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1pgq n GLY 94 N 3.69 0.51 3.80 6.18 0.00 -0.49 -5.00 105.19 113.87 1pgq n GLY 94 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1pgq n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgq s ASP 95 N -2.03 5.59 -0.04 1.61 1.01 -0.96 -4.69 116.67 117.15 1pgq s ASP 95 Ca 0.00 1.83 0.06 0.00 0.71 0.00 0.00 52.55 55.16 1pgq s ASP 95 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1pgq s ASP 95 CO 0.00 -1.30 -0.24 -0.63 0.21 0.00 0.00 175.17 173.21 1pgq s ILE 96 N -2.49 1.95 -0.08 0.77 1.01 0.65 -0.96 121.20 122.05 1pgq s ILE 96 Ca 0.64 -1.02 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1pgq s ILE 96 Cb -0.17 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1pgq s ILE 96 CO 0.40 0.55 -0.12 -0.63 0.00 0.00 0.00 174.94 175.14 1pgq s ILE 97 N -0.29 1.17 -0.08 2.92 1.01 -0.93 -1.86 121.20 123.15 1pgq s ILE 97 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1pgq s ILE 97 Cb -0.12 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 1pgq s ILE 97 CO 0.02 0.37 -0.10 -0.63 0.00 0.00 0.00 174.94 174.60 1pgq s ILE 98 N 0.89 3.43 -0.24 2.92 1.01 -0.06 -1.56 121.20 127.59 1pgq s ILE 98 Ca -0.10 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.97 1pgq s ILE 98 Cb -0.15 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.95 1pgq s ILE 98 CO 0.01 0.57 -0.08 -0.62 0.00 0.00 0.00 174.94 174.82 1pgq s ASP 99 N -0.49 4.21 0.02 3.58 2.15 0.26 -0.20 116.67 126.20 1pgq s ASP 99 Ca 0.07 -0.94 0.23 0.00 0.43 0.00 0.00 52.55 52.33 1pgq s ASP 99 Cb -0.12 -1.62 0.07 0.00 -0.30 0.00 0.00 42.92 40.94 1pgq s ASP 99 CO 0.02 -0.13 1.07 0.61 -0.17 0.00 0.00 175.17 176.57 1pgq n GLY 100 N 4.62 -1.15 3.72 2.66 0.00 0.10 -0.98 105.19 114.16 1pgq n GLY 100 Ca -0.16 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1pgq n GLY 100 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pgq s GLY 101 N -3.32 1.73 -1.28 -0.02 0.00 -1.22 -4.39 107.32 98.82 1pgq s GLY 101 Ca 0.06 0.48 -0.19 0.00 0.00 0.00 0.00 44.72 45.08 1pgq s GLY 101 CO 0.80 0.87 1.82 0.70 0.00 0.00 0.00 173.10 177.28 1pgq n ASN 102 N -3.84 4.45 -4.87 1.64 4.13 -1.26 -4.88 115.26 110.62 1pgq n ASN 102 Ca 0.11 -2.87 -0.31 0.00 1.68 0.00 0.00 54.58 53.20 1pgq n ASN 102 Cb 0.52 -1.73 0.03 0.00 -1.54 0.00 0.00 39.78 37.06 1pgq n ASN 102 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1pgq s SER 103 N 4.59 5.83 0.02 6.41 0.01 -1.26 -4.95 113.70 124.35 1pgq s SER 103 Ca 0.56 1.30 -0.30 0.00 1.31 0.00 0.00 55.95 58.82 1pgq s SER 103 Cb 0.04 -2.23 -0.07 0.00 0.21 0.00 0.00 66.02 63.98 1pgq s SER 103 CO 0.08 -1.11 1.58 -0.70 0.41 0.00 0.00 173.24 173.49 1pgq s GLU 104 N -5.25 4.22 0.40 12.44 2.56 -1.26 -4.85 118.70 126.95 1pgq s GLU 104 Ca 0.57 2.19 0.14 0.00 0.00 0.00 0.00 54.97 57.86 1pgq s GLU 104 Cb -0.11 -3.69 0.99 0.00 2.00 0.00 0.00 34.13 33.31 1pgq s GLU 104 CO 0.53 -0.72 1.86 0.10 -0.56 0.00 0.00 175.26 176.47 1pgq h TYR 105 N 8.50 0.64 -0.07 5.30 -0.00 -1.90 -1.44 116.97 128.01 1pgq h TYR 105 Ca -0.40 0.02 -0.16 0.00 0.00 0.00 0.00 58.73 58.18 1pgq h TYR 105 Cb 1.19 -0.20 -0.01 0.00 0.00 0.00 0.00 36.73 37.71 1pgq h TYR 105 CO 0.80 0.20 -0.67 0.00 -0.00 0.00 0.00 178.16 178.49 1pgq h ARG 106 N 0.51 0.31 -0.10 0.10 3.08 -1.94 -2.13 114.38 114.21 1pgq h ARG 106 Ca 0.46 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1pgq h ARG 106 Cb 0.98 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1pgq h ARG 106 CO -0.19 0.86 0.03 -0.44 -1.07 0.00 0.00 179.97 179.16 1pgq h ASP 107 N 0.22 0.15 -0.59 7.04 3.32 -1.67 -2.02 116.42 122.87 1pgq h ASP 107 Ca -0.02 -0.21 0.10 0.00 0.02 0.00 0.00 57.03 56.91 1pgq h ASP 107 Cb 1.21 -0.04 -0.07 0.00 0.22 0.00 0.00 39.33 40.65 1pgq h ASP 107 CO 0.11 0.33 0.20 0.74 -1.72 0.00 0.00 179.24 178.89 1pgq h THR 108 N -0.03 0.75 -0.44 0.35 2.02 -1.42 0.04 112.91 114.18 1pgq h THR 108 Ca 0.03 -0.12 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1pgq h THR 108 Cb 0.23 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1pgq h THR 108 CO -0.00 0.07 0.06 0.24 0.37 0.00 0.00 175.52 176.25 1pgq h MET 109 N 0.36 0.17 0.63 6.66 2.86 -1.00 -0.43 114.93 124.20 1pgq h MET 109 Ca 0.30 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.90 1pgq h MET 109 Cb 0.39 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 1pgq h MET 109 CO -0.32 0.12 -0.37 -0.09 1.06 0.00 0.00 176.91 177.31 1pgq h ARG 110 N 0.18 -0.89 -0.46 1.72 2.43 -0.94 -2.46 114.38 113.96 1pgq h ARG 110 Ca 0.22 0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.54 1pgq h ARG 110 Cb 0.29 0.20 -0.09 0.00 -0.42 0.00 0.00 29.97 29.96 1pgq h ARG 110 CO -0.31 -0.60 -0.13 0.00 -1.51 0.00 0.00 179.97 177.42 1pgq h ARG 111 N -0.93 -0.02 -0.26 0.20 3.08 -0.81 -1.61 114.38 114.04 1pgq h ARG 111 Ca -0.09 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.02 1pgq h ARG 111 Cb 0.73 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.73 1pgq h ARG 111 CO 0.10 -0.01 -0.12 0.00 -1.07 0.00 0.00 179.97 178.87 1pgq h ARG 113 N -0.09 -0.31 -0.69 0.00 3.08 -0.83 -0.03 114.38 115.51 1pgq h ARG 113 Ca 0.14 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.25 1pgq h ARG 113 Cb 0.30 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 1pgq h ARG 113 CO -0.32 -0.21 0.41 -0.44 -1.07 0.00 0.00 179.97 178.35 1pgq h ASP 114 N -0.32 0.65 -0.22 7.04 5.19 -0.79 0.11 116.42 128.07 1pgq h ASP 114 Ca 0.05 0.01 -0.20 0.00 -0.62 0.00 0.00 57.03 56.27 1pgq h ASP 114 Cb 0.38 -0.12 0.01 0.00 0.18 0.00 0.00 39.33 39.77 1pgq h ASP 114 CO -0.16 0.44 -0.66 -0.07 -3.12 0.00 0.00 179.24 175.67 1pgq h LEU 115 N 0.78 0.96 -1.13 1.55 4.07 -1.11 -1.78 115.31 118.65 1pgq h LEU 115 Ca 0.29 -0.58 0.08 0.00 0.08 0.00 0.00 57.88 57.75 1pgq h LEU 115 Cb 0.09 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.49 1pgq h LEU 115 CO -0.14 1.38 0.60 0.50 -1.08 0.00 0.00 178.44 179.69 1pgq h LYS 116 N 0.60 0.98 -0.26 1.13 3.64 -0.09 0.27 116.57 122.84 1pgq h LYS 116 Ca -0.02 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1pgq h LYS 116 Cb 1.28 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 1pgq h LYS 116 CO 0.14 0.65 0.11 0.22 -2.27 0.00 0.00 179.45 178.30 1pgq h ASP 117 N 1.00 0.35 -0.25 4.20 3.58 -0.69 -2.36 116.42 122.26 1pgq h ASP 117 Ca 0.41 -0.15 -0.07 0.00 0.42 0.00 0.00 57.03 57.65 1pgq h ASP 117 Cb 0.28 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 1pgq h ASP 117 CO -0.17 0.40 0.09 0.29 -2.88 0.00 0.00 179.24 176.97 1pgq n LYS 118 N -4.79 1.98 -0.31 0.28 5.02 -0.10 -4.90 118.16 115.33 1pgq n LYS 118 Ca -0.03 -1.05 0.00 0.00 -2.02 0.00 0.00 58.31 55.21 1pgq n LYS 118 Cb 0.12 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1pgq n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgq n GLY 119 N 0.11 2.10 3.79 0.72 0.00 -0.57 -4.89 105.19 106.44 1pgq n GLY 119 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1pgq n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgq s ILE 120 N -3.09 5.00 -0.37 -0.61 1.01 -0.12 -1.40 121.20 121.62 1pgq s ILE 120 Ca 0.00 1.00 -0.20 0.00 0.00 0.00 0.00 60.65 61.45 1pgq s ILE 120 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1pgq s ILE 120 CO 0.00 0.48 0.61 -0.76 0.00 0.00 0.00 174.94 175.28 1pgq s LEU 121 N -0.50 4.32 -0.12 2.97 1.02 -0.13 -2.51 118.68 123.73 1pgq s LEU 121 Ca 0.26 0.02 -0.04 0.00 0.02 0.00 0.00 54.13 54.39 1pgq s LEU 121 Cb -0.17 -2.74 -0.04 0.00 0.02 0.00 0.00 46.19 43.27 1pgq s LEU 121 CO 0.14 -0.61 0.04 0.12 0.02 0.00 0.00 176.35 176.07 1pgq s PHE 122 N 2.67 3.27 -0.01 0.29 5.36 -1.26 -2.19 117.98 126.11 1pgq s PHE 122 Ca 0.23 0.22 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1pgq s PHE 122 Cb -0.15 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.65 1pgq s PHE 122 CO 0.15 0.44 0.01 0.54 -1.46 0.00 0.00 175.22 174.90 1pgq s VAL 123 N -0.58 0.00 -0.10 3.12 0.11 -0.60 -0.89 120.40 121.45 1pgq s VAL 123 Ca 0.10 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 1pgq s VAL 123 Cb -0.12 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.64 1pgq s VAL 123 CO 0.02 0.06 -0.16 -0.83 -3.33 0.00 0.00 175.10 170.86 1pgq s GLY 124 N 0.55 1.48 0.04 6.54 0.00 0.64 -0.57 107.32 116.00 1pgq s GLY 124 Ca -0.05 -0.93 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1pgq s GLY 124 CO -0.01 -0.37 -0.13 -1.35 0.00 0.00 0.00 173.10 171.23 1pgq s SER 125 N 0.08 1.52 0.31 1.64 1.04 -0.16 -1.06 113.70 117.07 1pgq s SER 125 Ca -0.07 -0.46 -0.26 0.00 0.48 0.00 0.00 55.95 55.64 1pgq s SER 125 Cb -0.15 -0.08 -0.10 0.00 0.10 0.00 0.00 66.02 65.79 1pgq s SER 125 CO 0.05 -0.00 0.92 -0.83 0.98 0.00 0.00 173.24 174.36 1pgq s GLY 126 N -1.19 2.80 -0.05 7.32 0.00 -0.78 -4.19 107.32 111.23 1pgq s GLY 126 Ca -0.00 0.49 0.06 0.00 0.00 0.00 0.00 44.72 45.26 1pgq s GLY 126 CO 0.01 0.93 -0.22 0.14 0.00 0.00 0.00 173.10 173.96 1pgq s VAL 127 N -1.58 1.80 -0.03 1.40 1.01 -1.26 -0.51 120.40 121.22 1pgq s VAL 127 Ca 0.49 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1pgq s VAL 127 Cb -0.19 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.68 1pgq s VAL 127 CO 0.24 0.51 0.26 -0.55 0.00 0.00 0.00 175.10 175.56 1pgq s SER 128 N -0.13 -0.16 0.00 3.32 0.15 -0.60 -4.90 113.70 111.38 1pgq s SER 128 Ca -0.02 0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1pgq s SER 128 Cb -0.12 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 1pgq s SER 128 CO 0.03 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.74 1pgq n GLY 129 N 1.74 -0.20 7.00 9.45 0.00 -1.26 -0.95 105.19 120.96 1pgq n GLY 129 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1pgq n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgq n GLY 130 N 0.00 -0.96 0.11 -0.02 0.00 -1.26 -2.23 105.19 100.83 1pgq n GLY 130 Ca 0.00 -1.20 -0.17 0.00 0.00 0.00 0.00 46.02 44.66 1pgq n GLY 130 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1pgq h GLU 131 N 0.00 0.26 -0.57 1.61 4.11 -1.95 0.19 114.58 118.23 1pgq h GLU 131 Ca 0.00 -0.32 -0.04 0.00 0.07 0.00 0.00 59.36 59.07 1pgq h GLU 131 Cb 0.00 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1pgq h GLU 131 CO 0.00 1.06 0.20 0.38 0.07 0.00 0.00 179.01 180.72 1pgq h ASP 132 N -0.40 0.77 0.66 3.06 2.03 -1.98 -0.78 116.42 119.78 1pgq h ASP 132 Ca -0.07 -0.11 -0.03 0.00 -0.73 0.00 0.00 57.03 56.09 1pgq h ASP 132 Cb 1.25 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.55 1pgq h ASP 132 CO 0.09 0.71 -0.33 1.23 -1.03 0.00 0.00 179.24 179.91 1pgq h GLY 133 N 0.95 -0.95 -0.58 7.15 0.00 -1.35 -2.97 103.07 105.32 1pgq h GLY 133 Ca 0.19 0.36 0.21 0.00 0.00 0.00 0.00 47.33 48.09 1pgq h GLY 133 CO -0.01 -0.35 0.01 0.00 0.00 0.00 0.00 176.54 176.19 1pgq h ALA 134 N -0.57 0.92 -0.02 3.60 0.00 -0.29 0.22 119.26 123.13 1pgq h ALA 134 Ca -0.09 0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1pgq h ALA 134 Cb 0.70 0.48 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1pgq h ALA 134 CO 0.14 -0.46 -0.12 -0.09 0.00 0.00 0.00 179.25 178.72 1pgq h ARG 135 N 0.08 -0.18 -0.00 0.00 9.65 -1.03 -3.36 114.38 119.53 1pgq h ARG 135 Ca 0.48 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 59.37 1pgq h ARG 135 Cb 0.90 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 1pgq h ARG 135 CO -0.76 -0.12 -0.05 0.66 2.80 0.00 0.00 179.97 182.50 1pgq n TYR 136 N -5.25 0.00 0.00 2.20 4.01 -0.99 -4.15 117.16 112.98 1pgq n TYR 136 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 1pgq n TYR 136 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1pgq n TYR 136 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pgq n GLY 137 N 0.50 -1.22 3.78 2.72 0.00 0.72 -4.83 105.19 106.87 1pgq n GLY 137 Ca 0.02 0.69 -0.35 0.00 0.00 0.00 0.00 46.02 46.37 1pgq n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pgq s PRO 138 N 0.00 3.57 0.31 1.61 0.04 -0.88 -4.14 135.00 135.51 1pgq s PRO 138 Ca 0.00 1.56 -0.27 0.00 0.04 0.00 0.00 61.00 62.33 1pgq s PRO 138 Cb 0.00 -2.10 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1pgq s PRO 138 CO 0.00 -0.66 0.96 -1.12 0.04 0.00 0.00 177.00 176.22 1pgq s SER 139 N -1.77 7.36 -0.01 6.66 0.01 -0.13 -1.10 113.70 124.72 1pgq s SER 139 Ca 0.69 1.90 0.04 0.00 1.31 0.00 0.00 55.95 59.90 1pgq s SER 139 Cb -0.22 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 1pgq s SER 139 CO 0.26 -0.05 -0.14 -0.76 0.41 0.00 0.00 173.24 172.96 1pgq s LEU 140 N -1.87 2.02 -0.54 2.44 1.43 -0.60 -1.55 118.68 120.00 1pgq s LEU 140 Ca 0.48 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.38 1pgq s LEU 140 Cb -0.21 -0.71 0.18 0.00 0.03 0.00 0.00 46.19 45.47 1pgq s LEU 140 CO 0.27 0.17 0.43 0.23 0.23 0.00 0.00 176.35 177.68 1pgq n MET 141 N 2.77 1.00 -2.84 1.70 2.81 0.33 -4.07 117.12 118.81 1pgq n MET 141 Ca -0.14 -3.79 -0.40 0.00 -1.81 0.00 0.00 57.70 51.56 1pgq n MET 141 Cb 0.55 -1.93 -0.06 0.00 -0.71 0.00 0.00 33.22 31.07 1pgq n MET 141 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1pgq s PRO 142 N -0.74 4.74 0.18 0.03 0.04 -1.26 -1.86 135.00 136.12 1pgq s PRO 142 Ca 0.30 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.59 1pgq s PRO 142 Cb 0.02 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1pgq s PRO 142 CO -0.18 0.53 0.35 0.20 0.04 0.00 0.00 177.00 177.95 1pgq s GLY 143 N -1.19 0.35 0.00 0.56 0.00 -0.22 -0.38 107.32 106.44 1pgq s GLY 143 Ca 0.39 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1pgq s GLY 143 CO 0.30 -0.69 0.00 0.61 0.00 0.00 0.00 173.10 173.32 1pgq n GLY 144 N -0.25 0.42 3.48 0.20 0.00 -0.87 -0.26 105.19 107.90 1pgq n GLY 144 Ca -0.08 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.35 1pgq n GLY 144 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pgq s ASN 145 N -4.00 6.32 0.60 1.61 3.04 -0.07 -2.52 114.94 119.92 1pgq s ASN 145 Ca 0.00 -1.24 0.27 0.00 0.04 0.00 0.00 52.86 51.93 1pgq s ASN 145 Cb 0.00 -2.45 1.46 0.00 -1.54 0.00 0.00 41.25 38.72 1pgq s ASN 145 CO 0.00 -1.41 1.81 0.50 -3.04 0.00 0.00 177.10 174.96 1pgq h LYS 146 N 9.48 0.00 -0.90 0.43 3.64 -1.90 -1.12 116.57 126.19 1pgq h LYS 146 Ca -0.12 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1pgq h LYS 146 Cb 1.05 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.80 1pgq h LYS 146 CO 1.21 0.00 0.58 0.93 -2.27 0.00 0.00 179.45 179.90 1pgq h GLU 147 N 0.00 0.80 -0.30 1.90 5.08 -1.99 -1.58 114.58 118.49 1pgq h GLU 147 Ca 0.00 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1pgq h GLU 147 Cb 0.64 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1pgq h GLU 147 CO 0.00 0.53 -0.25 0.00 -1.00 0.00 0.00 179.01 178.28 1pgq h ALA 148 N 1.57 1.00 -0.61 3.43 0.00 -1.57 -3.36 119.26 119.72 1pgq h ALA 148 Ca 0.44 -0.36 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1pgq h ALA 148 Cb 0.54 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.09 1pgq h ALA 148 CO -0.20 0.59 -0.06 2.35 0.00 0.00 0.00 179.25 181.93 1pgq h TRP 149 N 0.52 -0.15 0.00 0.00 -0.00 -1.43 0.15 115.95 115.04 1pgq h TRP 149 Ca 0.07 0.05 -0.01 0.00 -0.00 0.00 0.00 58.89 59.00 1pgq h TRP 149 Cb 0.71 0.16 -0.00 0.00 -0.00 0.00 0.00 29.16 30.03 1pgq h TRP 149 CO 0.03 -0.20 -0.07 -1.00 -0.00 0.00 0.00 178.44 177.20 1pgq h PRO 150 N 0.07 0.00 0.00 2.65 0.13 -1.73 0.56 132.00 133.68 1pgq h PRO 150 Ca 0.31 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.31 1pgq h PRO 150 Cb 0.50 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.61 1pgq h PRO 150 CO -0.56 0.07 -0.61 0.45 -0.23 0.00 0.00 178.00 177.11 1pgq h HIS 151 N 0.00 0.00 0.00 1.56 3.86 -0.93 -3.29 115.15 116.35 1pgq h HIS 151 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pgq h HIS 151 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1pgq h HIS 151 CO 0.00 0.61 -1.39 0.44 0.86 0.00 0.00 177.93 178.44 1pgq n ILE 152 N -3.36 0.00 -0.26 2.45 -5.35 -1.00 -4.75 119.36 107.09 1pgq n ILE 152 Ca 0.01 -0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 62.19 1pgq n ILE 152 Cb 0.73 0.47 0.01 0.00 -1.74 0.00 0.00 39.64 39.11 1pgq n ILE 152 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1pgq n LYS 153 N -1.82 -0.18 -0.13 6.28 4.81 0.17 -1.69 118.16 125.60 1pgq n LYS 153 Ca -0.01 1.01 -0.10 0.00 -0.87 0.00 0.00 58.31 58.35 1pgq n LYS 153 Cb 0.38 -1.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.91 1pgq n LYS 153 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1pgq h ALA 154 N 0.81 0.50 0.69 3.14 0.00 -1.86 -1.53 119.26 121.01 1pgq h ALA 154 Ca 0.21 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1pgq h ALA 154 Cb 0.37 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1pgq h ALA 154 CO -0.65 0.21 -0.33 0.82 0.00 0.00 0.00 179.25 179.30 1pgq h ILE 155 N 0.47 0.00 -0.62 0.00 2.04 -1.67 -0.74 117.51 116.99 1pgq h ILE 155 Ca 0.11 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.85 1pgq h ILE 155 Cb 0.36 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1pgq h ILE 155 CO 0.01 0.00 0.23 -0.26 0.00 0.00 0.00 178.15 178.13 1pgq h PHE 156 N -1.15 0.40 0.00 1.37 -1.00 -1.35 -0.13 116.94 115.08 1pgq h PHE 156 Ca -0.09 0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.57 1pgq h PHE 156 Cb 0.71 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 1pgq h PHE 156 CO 0.02 0.09 -0.70 1.96 -1.61 0.00 0.00 178.31 178.07 1pgq h GLN 157 N 0.41 0.00 -0.31 1.51 4.20 -1.34 -1.39 115.11 118.19 1pgq h GLN 157 Ca 0.32 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.92 1pgq h GLN 157 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1pgq h GLN 157 CO -0.32 0.70 -0.24 0.78 -0.67 0.00 0.00 178.83 179.08 1pgq h GLY 158 N 2.86 0.77 2.00 3.46 0.00 0.50 -3.10 103.07 109.56 1pgq h GLY 158 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.57 1pgq h GLY 158 CO 0.09 0.68 0.00 0.16 0.00 0.00 0.00 176.54 177.47 1pgq h ILE 159 N 0.46 0.00 -3.76 2.60 3.07 -1.23 -3.47 117.51 115.18 1pgq h ILE 159 Ca 0.06 -0.81 -0.55 0.00 1.55 0.00 0.00 64.86 65.11 1pgq h ILE 159 Cb 0.80 1.80 0.19 0.00 -0.27 0.00 0.00 36.82 39.34 1pgq h ILE 159 CO 0.06 0.00 0.01 0.00 -1.05 0.00 0.00 178.15 177.17 1pgq n ALA 160 N -2.00 -0.68 -1.76 0.16 0.00 -0.52 -3.83 120.51 111.87 1pgq n ALA 160 Ca 0.04 -0.29 -0.36 0.00 0.00 0.00 0.00 53.44 52.83 1pgq n ALA 160 Cb 0.49 -2.07 0.02 0.00 0.00 0.00 0.00 19.45 17.88 1pgq n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pgq s ALA 161 N -2.00 2.67 -0.07 0.00 0.00 -0.26 -4.72 121.76 117.37 1pgq s ALA 161 Ca 0.70 0.97 0.04 0.00 0.00 0.00 0.00 51.96 53.67 1pgq s ALA 161 Cb -0.31 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.38 1pgq s ALA 161 CO 0.54 -1.00 -0.20 0.15 0.00 0.00 0.00 175.76 175.25 1pgq s LYS 162 N -3.19 2.37 0.01 0.00 1.02 -1.26 0.57 119.74 119.26 1pgq s LYS 162 Ca 0.74 -0.70 -0.21 0.00 0.02 0.00 0.00 55.97 55.82 1pgq s LYS 162 Cb -0.29 -1.89 -0.06 0.00 -0.52 0.00 0.00 37.83 35.07 1pgq s LYS 162 CO 0.33 0.18 0.60 0.08 -0.92 0.00 0.00 175.35 175.61 1pgq s VAL 163 N 0.31 4.87 0.00 3.17 1.01 -0.37 -4.87 120.40 124.51 1pgq s VAL 163 Ca -0.13 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1pgq s VAL 163 Cb -0.16 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1pgq s VAL 163 CO 0.06 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1pgq n GLY 164 N 2.31 0.00 1.76 4.51 0.00 -1.26 0.14 105.19 112.66 1pgq n GLY 164 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 1pgq n GLY 164 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pgq n THR 165 N 0.00 2.47 -0.85 2.61 -2.24 -1.26 -4.91 114.28 110.10 1pgq n THR 165 Ca 0.00 -1.34 0.00 0.00 -2.27 0.00 0.00 64.05 60.44 1pgq n THR 165 Cb 0.00 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1pgq n THR 165 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgq n GLY 166 N 0.07 0.12 3.78 3.38 0.00 0.37 -5.00 105.19 107.91 1pgq n GLY 166 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 1pgq n GLY 166 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pgq s GLU 167 N -1.35 4.45 0.60 1.61 8.01 -1.16 -4.75 118.70 126.12 1pgq s GLU 167 Ca 0.00 1.02 -0.19 0.00 0.01 0.00 0.00 54.97 55.81 1pgq s GLU 167 Cb 0.00 -3.27 -0.03 0.00 -4.31 0.00 0.00 34.13 26.53 1pgq s GLU 167 CO 0.00 0.56 1.27 -1.25 0.01 0.00 0.00 175.26 175.85 1pgq s PRO 168 N -1.03 2.85 -1.20 0.39 0.04 -1.26 -1.24 135.00 133.55 1pgq s PRO 168 Ca 0.34 2.00 -0.06 0.00 0.04 0.00 0.00 61.00 63.32 1pgq s PRO 168 Cb -0.22 -1.96 0.22 0.00 0.04 0.00 0.00 34.50 32.58 1pgq s PRO 168 CO 0.24 -1.35 1.85 0.00 0.04 0.00 0.00 177.00 177.78 1pgq s ASP 171 N 2.14 -0.36 0.15 0.00 -1.08 -1.26 -4.86 116.67 111.40 1pgq s ASP 171 Ca -0.03 0.13 -0.33 0.00 -0.52 0.00 0.00 52.55 51.81 1pgq s ASP 171 Cb -0.04 0.45 -0.12 0.00 -1.46 0.00 0.00 42.92 41.74 1pgq s ASP 171 CO -0.16 -0.66 1.71 1.87 0.52 0.00 0.00 175.17 178.45 1pgq n TRP 172 N 0.59 2.54 -0.08 -5.34 -0.00 -1.26 -4.12 117.44 109.75 1pgq n TRP 172 Ca -0.19 0.07 -0.16 0.00 -0.00 0.00 0.00 57.50 57.22 1pgq n TRP 172 Cb 0.59 -2.64 -0.11 0.00 -0.00 0.00 0.00 31.31 29.15 1pgq n TRP 172 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1pgq h VAL 173 N 4.05 1.17 0.00 5.87 2.07 -1.04 -3.48 116.25 124.88 1pgq h VAL 173 Ca -0.45 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1pgq h VAL 173 Cb 1.23 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.42 1pgq h VAL 173 CO 0.93 0.40 0.00 0.61 0.02 0.00 0.00 177.57 179.53 1pgq n GLY 174 N 1.55 -1.01 3.79 2.17 0.00 -1.25 -4.59 105.19 105.85 1pgq n GLY 174 Ca -0.19 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1pgq n GLY 174 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pgq s ASP 175 N -4.00 4.84 0.00 1.61 1.11 -1.26 -2.05 116.67 116.92 1pgq s ASP 175 Ca 0.00 1.73 0.00 0.00 0.18 0.00 0.00 52.55 54.46 1pgq s ASP 175 Cb 0.00 -2.50 0.00 0.00 1.07 0.00 0.00 42.92 41.49 1pgq s ASP 175 CO 0.00 -1.81 0.00 -0.90 1.18 0.00 0.00 175.17 173.64 1pgq n ASP 176 N -3.37 0.00 -0.36 0.27 5.68 -1.05 -0.71 116.55 117.01 1pgq n ASP 176 Ca 0.08 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.49 1pgq n ASP 176 Cb 0.53 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.68 1pgq n ASP 176 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pgq n GLY 177 N 0.00 -0.31 0.33 6.12 0.00 -1.26 -3.19 105.19 106.88 1pgq n GLY 177 Ca 0.00 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.64 1pgq n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgq h ALA 178 N 3.76 1.59 -0.01 4.61 0.00 -1.16 -1.09 119.26 126.96 1pgq h ALA 178 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1pgq h ALA 178 Cb 0.63 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1pgq h ALA 178 CO 0.00 -0.34 -0.02 0.78 0.00 0.00 0.00 179.25 179.67 1pgq h GLY 179 N 0.45 0.04 1.87 0.00 0.00 -1.79 0.21 103.07 103.85 1pgq h GLY 179 Ca 0.60 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.84 1pgq h GLY 179 CO -0.52 0.04 -0.15 0.45 0.00 0.00 0.00 176.54 176.36 1pgq h HIS 180 N -0.48 0.17 -0.02 5.60 3.86 -1.59 0.76 115.15 123.46 1pgq h HIS 180 Ca 0.00 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 1pgq h HIS 180 Cb 0.55 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1pgq h HIS 180 CO 0.11 0.32 -0.12 0.35 0.86 0.00 0.00 177.93 179.45 1pgq h PHE 181 N 0.16 0.16 -0.54 2.45 3.04 -1.08 -2.32 116.94 118.82 1pgq h PHE 181 Ca 0.03 -0.07 0.08 0.00 3.98 0.00 0.00 57.97 61.99 1pgq h PHE 181 Cb 0.37 -0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.80 1pgq h PHE 181 CO 0.00 0.78 0.19 0.28 -2.02 0.00 0.00 178.31 177.55 1pgq h VAL 182 N -0.50 0.81 -0.19 1.41 2.07 -0.52 -0.32 116.25 119.00 1pgq h VAL 182 Ca -0.01 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1pgq h VAL 182 Cb 0.80 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1pgq h VAL 182 CO 0.02 0.07 -0.31 0.50 0.02 0.00 0.00 177.57 177.87 1pgq h LYS 183 N 0.38 -0.34 0.00 1.57 1.63 -0.90 -1.79 116.57 117.11 1pgq h LYS 183 Ca 0.26 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1pgq h LYS 183 Cb 0.29 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 1pgq h LYS 183 CO -0.26 -0.22 0.00 0.00 -3.45 0.00 0.00 179.45 175.51 1pgq h MET 184 N -0.35 0.00 -0.05 1.90 -0.00 -0.69 -1.94 114.93 113.80 1pgq h MET 184 Ca 0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 59.70 59.68 1pgq h MET 184 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.12 1pgq h MET 184 CO -0.39 0.00 -0.60 0.28 -0.00 0.00 0.00 176.91 176.20 1pgq h VAL 185 N 0.00 1.40 0.27 -0.10 2.07 -0.49 -2.59 116.25 116.81 1pgq h VAL 185 Ca 0.00 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.53 1pgq h VAL 185 Cb 0.68 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1pgq h VAL 185 CO 0.00 0.58 -0.28 -0.74 0.02 0.00 0.00 177.57 177.15 1pgq h HIS 186 N 0.12 -0.75 -0.66 1.57 6.17 -0.57 -0.23 115.15 120.80 1pgq h HIS 186 Ca -0.01 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 1pgq h HIS 186 Cb 1.09 0.29 -0.03 0.00 2.52 0.00 0.00 27.41 31.28 1pgq h HIS 186 CO 0.01 -0.40 0.37 -0.91 0.71 0.00 0.00 177.93 177.72 1pgq h ASN 187 N -0.58 0.80 0.11 3.26 4.21 -1.44 0.20 115.58 122.14 1pgq h ASN 187 Ca -0.01 -0.05 0.01 0.00 1.21 0.00 0.00 56.30 57.46 1pgq h ASN 187 Cb 0.54 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 37.51 1pgq h ASN 187 CO -0.07 0.64 -0.20 1.23 -1.29 0.00 0.00 177.43 177.74 1pgq h GLY 188 N 0.96 -0.37 1.13 2.83 0.00 -1.06 -0.76 103.07 105.79 1pgq h GLY 188 Ca 0.24 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.83 1pgq h GLY 188 CO -0.04 -0.19 0.53 -2.22 0.00 0.00 0.00 176.54 174.62 1pgq h ILE 189 N -0.39 1.15 -0.95 2.60 2.04 -0.42 -0.85 117.51 120.70 1pgq h ILE 189 Ca 0.03 -0.35 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1pgq h ILE 189 Cb 0.41 0.04 -0.06 0.00 -0.74 0.00 0.00 36.82 36.47 1pgq h ILE 189 CO -0.11 0.19 0.62 -0.08 0.00 0.00 0.00 178.15 178.76 1pgq h GLU 190 N 1.02 1.14 -0.55 2.37 4.81 -0.31 -0.46 114.58 122.60 1pgq h GLU 190 Ca 0.31 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1pgq h GLU 190 Cb -0.01 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.09 1pgq h GLU 190 CO -0.08 0.75 0.26 1.88 -0.73 0.00 0.00 179.01 181.08 1pgq h TYR 191 N 1.17 0.81 -0.39 0.92 -1.99 0.24 -2.29 116.97 115.44 1pgq h TYR 191 Ca 0.39 -0.04 0.02 0.00 2.00 0.00 0.00 58.73 61.10 1pgq h TYR 191 Cb 0.05 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 38.51 1pgq h TYR 191 CO -0.01 0.63 0.21 0.78 -0.00 0.00 0.00 178.16 179.78 1pgq h GLY 192 N 0.75 0.53 1.03 3.88 0.00 -0.51 -2.03 103.07 106.72 1pgq h GLY 192 Ca 0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1pgq h GLY 192 CO -0.02 0.13 0.01 -0.55 0.00 0.00 0.00 176.54 176.11 1pgq h ASP 193 N 0.43 0.91 -0.50 0.19 3.32 -0.92 -1.58 116.42 118.28 1pgq h ASP 193 Ca 0.16 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.78 1pgq h ASP 193 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1pgq h ASP 193 CO -0.09 0.99 -0.18 0.24 -1.72 0.00 0.00 179.24 178.48 1pgq h MET 194 N 0.81 1.00 -0.48 3.56 2.86 -1.28 -2.71 114.93 118.69 1pgq h MET 194 Ca 0.15 -0.41 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1pgq h MET 194 Cb 0.51 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 1pgq h MET 194 CO 0.02 1.09 0.14 0.37 1.06 0.00 0.00 176.91 179.59 1pgq h GLN 195 N 0.85 0.75 -0.96 1.72 5.75 -1.18 -0.84 115.11 121.20 1pgq h GLN 195 Ca 0.12 -0.17 0.16 0.00 -0.15 0.00 0.00 58.65 58.61 1pgq h GLN 195 Cb 0.75 -0.11 -0.09 0.00 1.07 0.00 0.00 27.48 29.11 1pgq h GLN 195 CO 0.06 0.72 0.61 -0.07 -2.65 0.00 0.00 178.83 177.49 1pgq h LEU 196 N 0.64 0.76 -0.06 -2.39 3.38 -1.24 -0.91 115.31 115.50 1pgq h LEU 196 Ca 0.15 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1pgq h LEU 196 Cb 0.28 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pgq h LEU 196 CO -0.00 0.35 -0.25 0.40 0.09 0.00 0.00 178.44 179.03 1pgq h ILE 197 N 0.79 1.44 -0.87 1.22 2.04 -1.07 -1.50 117.51 119.55 1pgq h ILE 197 Ca 0.51 -1.67 0.19 0.00 1.00 0.00 0.00 64.86 64.89 1pgq h ILE 197 Cb 0.74 2.34 -0.11 0.00 -0.74 0.00 0.00 36.82 39.05 1pgq h ILE 197 CO -0.27 0.47 0.40 0.00 0.00 0.00 0.00 178.15 178.75 1pgq h GLU 199 N 0.48 0.52 -0.69 0.00 5.08 -1.05 0.83 114.58 119.75 1pgq h GLU 199 Ca 0.52 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.78 1pgq h GLU 199 Cb 0.90 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 1pgq h GLU 199 CO -0.46 0.62 0.41 0.00 -1.00 0.00 0.00 179.01 178.58 1pgq h ALA 200 N 0.88 0.91 -0.62 3.43 0.00 -0.14 -1.28 119.26 122.44 1pgq h ALA 200 Ca 0.09 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1pgq h ALA 200 Cb 0.36 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1pgq h ALA 200 CO 0.01 0.13 0.24 -0.92 0.00 0.00 0.00 179.25 178.71 1pgq h TYR 201 N 0.78 0.96 -0.65 0.00 3.20 -0.75 -2.02 116.97 118.48 1pgq h TYR 201 Ca 0.29 -0.08 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 1pgq h TYR 201 Cb 0.10 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1pgq h TYR 201 CO -0.06 0.76 0.13 1.25 -1.64 0.00 0.00 178.16 178.60 1pgq h HIS 202 N 0.87 1.10 -0.37 -3.82 2.76 -0.15 -1.04 115.15 114.49 1pgq h HIS 202 Ca 0.21 -0.14 -0.10 0.00 -2.20 0.00 0.00 60.37 58.14 1pgq h HIS 202 Cb 0.22 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1pgq h HIS 202 CO 0.01 0.91 -0.17 -0.07 -1.30 0.00 0.00 177.93 177.32 1pgq h LEU 203 N 0.98 0.79 -0.49 0.26 3.38 -1.04 -1.58 115.31 117.62 1pgq h LEU 203 Ca 0.20 -0.40 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1pgq h LEU 203 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1pgq h LEU 203 CO 0.01 1.02 -0.03 0.24 0.09 0.00 0.00 178.44 179.77 1pgq h MET 204 N 0.57 0.88 0.62 1.13 2.86 -1.28 -1.89 114.93 117.82 1pgq h MET 204 Ca 0.09 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 1pgq h MET 204 Cb 0.71 -0.07 0.01 0.00 0.06 0.00 0.00 31.60 32.30 1pgq h MET 204 CO 0.05 0.93 -0.30 -0.22 1.06 0.00 0.00 176.91 178.44 1pgq h LYS 205 N 0.74 -0.80 0.14 1.72 3.64 -1.16 -1.10 116.57 119.75 1pgq h LYS 205 Ca 0.13 0.05 -0.30 0.00 -1.27 0.00 0.00 60.65 59.27 1pgq h LYS 205 Cb 0.55 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1pgq h LYS 205 CO 0.03 -0.53 -1.44 -0.44 -2.27 0.00 0.00 179.45 174.80 1pgq h ASP 206 N -1.09 0.47 0.02 4.20 5.19 -1.41 -2.33 116.42 121.46 1pgq h ASP 206 Ca -0.08 -0.58 -0.13 0.00 -0.62 0.00 0.00 57.03 55.62 1pgq h ASP 206 Cb 0.63 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1pgq h ASP 206 CO 0.14 1.47 -0.70 0.58 -3.12 0.00 0.00 179.24 177.61 1pgq h VAL 207 N 0.08 1.35 0.00 -1.35 2.07 -1.52 -3.39 116.25 113.49 1pgq h VAL 207 Ca -0.21 -2.30 0.00 0.00 0.82 0.00 0.00 66.70 65.01 1pgq h VAL 207 Cb 2.03 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 34.64 1pgq h VAL 207 CO 0.19 0.51 -0.60 0.25 0.02 0.00 0.00 177.57 177.94 1pgq h LEU 208 N -0.89 0.00 0.88 2.57 5.85 -1.32 -3.40 115.31 119.00 1pgq h LEU 208 Ca -0.18 -0.19 -0.26 0.00 0.84 0.00 0.00 57.88 58.09 1pgq h LEU 208 Cb 1.24 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 1pgq h LEU 208 CO -0.07 0.09 -0.26 0.61 -0.34 0.00 0.00 178.44 178.48 1pgq n GLY 209 N 1.32 1.03 3.75 3.75 0.00 -0.46 -4.95 105.19 109.63 1pgq n GLY 209 Ca 0.03 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 1pgq n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgq s LEU 210 N -3.08 4.48 0.66 0.99 1.02 -0.94 -5.00 118.68 116.80 1pgq s LEU 210 Ca 0.00 2.28 -0.11 0.00 0.02 0.00 0.00 54.13 56.32 1pgq s LEU 210 Cb 0.00 -3.62 -0.02 0.00 0.02 0.00 0.00 46.19 42.58 1pgq s LEU 210 CO 0.00 -0.30 1.05 -0.83 0.02 0.00 0.00 176.35 176.29 1pgq s GLY 211 N -0.28 1.65 0.57 -3.19 0.00 -1.26 -4.58 107.32 100.24 1pgq s GLY 211 Ca 0.49 -0.13 0.30 0.00 0.00 0.00 0.00 44.72 45.38 1pgq s GLY 211 CO 0.39 0.17 2.20 0.45 0.00 0.00 0.00 173.10 176.32 1pgq h HIS 212 N -0.49 0.00 0.11 1.90 3.86 -1.96 -1.54 115.15 117.03 1pgq h HIS 212 Ca -0.44 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.76 1pgq h HIS 212 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 1pgq h HIS 212 CO 0.61 0.04 -0.06 0.87 0.86 0.00 0.00 177.93 180.25 1pgq h LYS 213 N 0.00 -0.15 -0.48 2.45 1.57 -1.94 -0.80 116.57 117.22 1pgq h LYS 213 Ca -0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1pgq h LYS 213 Cb 0.11 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1pgq h LYS 213 CO 0.01 0.15 0.16 0.93 -0.57 0.00 0.00 179.45 180.12 1pgq h GLU 214 N -0.44 0.75 -0.36 3.15 3.07 -1.76 -0.69 114.58 118.29 1pgq h GLU 214 Ca -0.02 -0.16 0.06 0.00 -0.50 0.00 0.00 59.36 58.75 1pgq h GLU 214 Cb 0.36 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.11 1pgq h GLU 214 CO 0.03 0.70 0.03 0.52 -1.40 0.00 0.00 179.01 178.88 1pgq h MET 215 N 0.65 0.13 -0.93 2.33 2.86 -1.32 0.49 114.93 119.13 1pgq h MET 215 Ca 0.16 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1pgq h MET 215 Cb 0.26 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1pgq h MET 215 CO -0.01 0.08 0.62 0.00 1.06 0.00 0.00 176.91 178.67 1pgq h ALA 216 N 1.30 1.34 -0.77 6.32 0.00 -0.34 -1.26 119.26 125.84 1pgq h ALA 216 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1pgq h ALA 216 Cb 0.23 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1pgq h ALA 216 CO -0.27 0.61 0.50 -0.22 0.00 0.00 0.00 179.25 179.87 1pgq h LYS 217 N 1.26 1.03 -0.02 0.00 3.64 0.49 -1.01 116.57 121.96 1pgq h LYS 217 Ca 0.34 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1pgq h LYS 217 Cb -0.14 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.45 1pgq h LYS 217 CO -0.08 0.69 0.00 0.00 -2.27 0.00 0.00 179.45 177.80 1pgq h ALA 218 N 1.27 0.02 -0.69 5.00 0.00 -0.38 -1.28 119.26 123.21 1pgq h ALA 218 Ca 0.28 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1pgq h ALA 218 Cb -0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1pgq h ALA 218 CO -0.06 -0.38 0.39 0.74 0.00 0.00 0.00 179.25 179.94 1pgq h PHE 219 N -0.17 0.71 -0.46 0.00 0.04 -0.61 -1.85 116.94 114.59 1pgq h PHE 219 Ca 0.01 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.84 1pgq h PHE 219 Cb 0.20 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.10 1pgq h PHE 219 CO -0.01 0.33 0.22 0.93 -0.60 0.00 0.00 178.31 179.18 1pgq h GLU 220 N 0.70 0.42 -0.82 1.51 5.08 -0.93 -0.65 114.58 119.89 1pgq h GLU 220 Ca 0.31 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 1pgq h GLU 220 Cb 0.21 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 1pgq h GLU 220 CO -0.19 0.28 0.53 0.93 -1.00 0.00 0.00 179.01 179.56 1pgq h GLU 221 N 0.43 0.90 -0.50 2.33 3.07 -0.58 -2.76 114.58 117.47 1pgq h GLU 221 Ca 0.20 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.89 1pgq h GLU 221 Cb 0.13 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1pgq h GLU 221 CO -0.15 0.59 -0.15 -1.49 -1.40 0.00 0.00 179.01 176.41 1pgq h TRP 222 N 0.92 1.08 0.00 4.33 4.06 -0.66 -1.86 115.95 123.82 1pgq h TRP 222 Ca 0.35 -0.23 0.00 0.00 2.06 0.00 0.00 58.89 61.06 1pgq h TRP 222 Cb 0.18 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 28.08 1pgq h TRP 222 CO -0.00 1.03 0.00 -1.71 -3.56 0.00 0.00 178.44 174.20 1pgq n ASN 223 N -4.13 0.00 -0.95 -3.49 5.15 -0.32 -1.10 115.26 110.42 1pgq n ASN 223 Ca 0.01 0.44 0.11 0.00 -0.60 0.00 0.00 54.58 54.54 1pgq n ASN 223 Cb 0.42 -0.47 0.13 0.00 -0.53 0.00 0.00 39.78 39.33 1pgq n ASN 223 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1pgq n LYS 224 N -1.47 2.17 0.00 1.20 5.02 -0.71 -3.87 118.16 120.50 1pgq n LYS 224 Ca 0.03 -1.95 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1pgq n LYS 224 Cb 0.10 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1pgq n LYS 224 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1pgq n THR 225 N 1.28 0.00 0.33 -0.18 -2.24 -0.26 -4.92 114.28 108.30 1pgq n THR 225 Ca 0.15 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.15 1pgq n THR 225 Cb 0.56 -0.07 1.18 0.00 -2.10 0.00 0.00 70.33 69.89 1pgq n THR 225 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1pgq h GLU 226 N 0.00 0.00 -0.89 -0.78 3.07 -1.94 -0.57 114.58 113.47 1pgq h GLU 226 Ca 0.00 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 1pgq h GLU 226 Cb 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 1pgq h GLU 226 CO 0.00 0.00 0.06 1.28 -1.40 0.00 0.00 179.01 178.95 1pgq n LEU 227 N -3.03 3.07 -4.59 1.33 4.77 -1.24 -4.54 117.00 112.77 1pgq n LEU 227 Ca -0.03 -1.57 -0.42 0.00 -0.03 0.00 0.00 56.01 53.97 1pgq n LEU 227 Cb 0.08 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1pgq n LEU 227 CO 0.19 0.46 1.81 -0.62 -1.33 0.00 0.00 177.39 177.90 1pgq s ASP 228 N -0.14 5.36 -0.16 -1.43 -1.08 -0.22 -4.28 116.67 114.71 1pgq s ASP 228 Ca 0.19 1.59 -0.28 0.00 -0.52 0.00 0.00 52.55 53.53 1pgq s ASP 228 Cb 0.15 -2.51 0.08 0.00 -1.46 0.00 0.00 42.92 39.17 1pgq s ASP 228 CO 0.05 -2.08 0.73 -0.94 0.52 0.00 0.00 175.17 173.45 1pgq s SER 229 N 8.51 -0.67 0.28 -0.34 1.04 -1.26 -2.66 113.70 118.59 1pgq s SER 229 Ca 0.95 1.02 0.01 0.00 0.48 0.00 0.00 55.95 58.42 1pgq s SER 229 Cb -0.28 0.94 0.59 0.00 0.10 0.00 0.00 66.02 67.38 1pgq s SER 229 CO 0.33 -0.42 1.77 0.15 0.98 0.00 0.00 173.24 176.05 1pgq h PHE 230 N 3.89 0.89 -0.24 5.02 3.57 -1.75 -1.81 116.94 126.51 1pgq h PHE 230 Ca -0.27 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.11 1pgq h PHE 230 Cb 1.15 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1pgq h PHE 230 CO 0.38 0.22 -0.45 -0.07 -2.23 0.00 0.00 178.31 176.16 1pgq h LEU 231 N 0.70 0.65 -0.72 0.59 3.38 -1.83 -0.50 115.31 117.58 1pgq h LEU 231 Ca 0.50 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1pgq h LEU 231 Cb 0.71 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1pgq h LEU 231 CO -0.36 1.01 0.39 0.40 0.09 0.00 0.00 178.44 179.97 1pgq h ILE 232 N 0.49 1.22 0.86 1.22 1.08 -1.73 -1.75 117.51 118.89 1pgq h ILE 232 Ca 0.03 -0.56 -0.04 0.00 -0.39 0.00 0.00 64.86 63.90 1pgq h ILE 232 Cb 0.97 0.28 0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1pgq h ILE 232 CO 0.09 0.24 -0.41 -0.08 -0.69 0.00 0.00 178.15 177.30 1pgq h GLU 233 N 0.99 -1.11 0.00 2.37 4.81 -1.02 -2.58 114.58 118.05 1pgq h GLU 233 Ca 0.25 0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 1pgq h GLU 233 Cb 0.04 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1pgq h GLU 233 CO -0.04 -0.73 -0.13 -0.84 -0.73 0.00 0.00 179.01 176.54 1pgq h ILE 234 N -1.19 0.57 -0.18 2.32 3.07 -1.06 -2.16 117.51 118.87 1pgq h ILE 234 Ca -0.12 -0.57 -0.01 0.00 1.55 0.00 0.00 64.86 65.72 1pgq h ILE 234 Cb 0.89 1.37 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 1pgq h ILE 234 CO 0.19 0.12 0.09 0.74 -1.05 0.00 0.00 178.15 178.24 1pgq h THR 235 N 0.00 1.14 -0.95 0.16 2.02 -1.20 0.72 112.91 114.80 1pgq h THR 235 Ca -0.00 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 66.85 1pgq h THR 235 Cb 0.36 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.77 1pgq h THR 235 CO 0.02 0.13 0.60 0.00 0.37 0.00 0.00 175.52 176.64 1pgq h ALA 236 N 0.95 1.32 -0.14 6.16 0.00 -0.98 -0.48 119.26 126.09 1pgq h ALA 236 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1pgq h ALA 236 Cb 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1pgq h ALA 236 CO -0.01 0.37 0.07 0.77 0.00 0.00 0.00 179.25 180.46 1pgq h SER 237 N 1.09 0.17 -0.85 0.00 0.02 -1.21 -2.17 113.55 110.61 1pgq h SER 237 Ca 0.41 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 1pgq h SER 237 Cb 0.18 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 1pgq h SER 237 CO -0.18 0.22 0.40 0.40 -1.14 0.00 0.00 176.83 176.53 1pgq h ILE 238 N 0.12 1.26 -0.54 3.27 2.04 0.39 -1.54 117.51 122.52 1pgq h ILE 238 Ca 0.05 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 1pgq h ILE 238 Cb 0.08 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1pgq h ILE 238 CO -0.01 0.32 -0.06 -0.07 0.00 0.00 0.00 178.15 178.33 1pgq h LEU 239 N 1.21 0.96 -0.61 1.44 4.07 -1.06 -3.04 115.31 118.28 1pgq h LEU 239 Ca 0.29 -0.29 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 1pgq h LEU 239 Cb 0.13 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 1pgq h LEU 239 CO -0.04 1.05 -0.41 0.11 -1.08 0.00 0.00 178.44 178.07 1pgq h LYS 240 N 0.88 0.64 -6.38 1.13 1.57 -1.01 -3.44 116.57 109.95 1pgq h LYS 240 Ca 0.15 -0.33 -0.64 0.00 -1.87 0.00 0.00 60.65 57.96 1pgq h LYS 240 Cb 0.60 0.01 0.07 0.00 0.08 0.00 0.00 32.23 32.99 1pgq h LYS 240 CO 0.04 0.93 0.46 0.34 -0.57 0.00 0.00 179.45 180.65 1pgq n PHE 241 N -4.03 1.65 -5.09 -1.35 -0.00 -0.61 -4.94 117.46 103.08 1pgq n PHE 241 Ca -0.02 0.57 -0.31 0.00 -0.00 0.00 0.00 57.45 57.69 1pgq n PHE 241 Cb 0.53 -2.36 -0.15 0.00 -0.00 0.00 0.00 39.48 37.49 1pgq n PHE 241 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.76 176.11 1pgq s GLN 242 N 0.06 2.04 0.98 -4.13 -0.21 -1.26 -2.78 119.66 114.36 1pgq s GLN 242 Ca 0.76 -0.97 -0.16 0.00 0.02 0.00 0.00 55.36 55.01 1pgq s GLN 242 Cb -0.82 -2.06 0.22 0.00 1.00 0.00 0.00 33.01 31.35 1pgq s GLN 242 CO 0.48 0.55 1.34 0.34 -2.12 0.00 0.00 175.29 175.88 1pgq s ASP 243 N -0.89 2.90 0.55 5.90 -1.08 0.16 -4.85 116.67 119.35 1pgq s ASP 243 Ca 0.11 0.15 0.24 0.00 -0.52 0.00 0.00 52.55 52.54 1pgq s ASP 243 Cb -0.10 -0.12 1.45 0.00 -1.46 0.00 0.00 42.92 42.69 1pgq s ASP 243 CO 0.01 -2.86 2.06 0.00 0.52 0.00 0.00 175.17 174.90 1pgq h ALA 244 N -1.72 2.17 -0.41 3.66 0.00 -2.01 0.24 119.26 121.19 1pgq h ALA 244 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1pgq h ALA 244 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1pgq h ALA 244 CO 0.33 -0.40 0.00 -0.40 0.00 0.00 0.00 179.25 178.77 1pgq n ASP 245 N -4.21 2.25 -0.21 0.00 5.75 -1.26 -4.94 116.55 113.93 1pgq n ASP 245 Ca 0.04 -1.98 -0.03 0.00 -0.01 0.00 0.00 54.79 52.82 1pgq n ASP 245 Cb 0.41 -0.27 -0.01 0.00 -1.03 0.00 0.00 41.12 40.22 1pgq n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pgq n GLY 246 N 1.18 0.50 3.75 6.12 0.00 0.85 -5.02 105.19 112.57 1pgq n GLY 246 Ca 0.14 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1pgq n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgq s LYS 247 N -1.48 2.66 0.29 1.61 3.01 -1.26 -4.77 119.74 119.80 1pgq s LYS 247 Ca 0.00 -1.18 -0.29 0.00 -1.01 0.00 0.00 55.97 53.49 1pgq s LYS 247 Cb 0.00 -2.41 -0.10 0.00 -1.01 0.00 0.00 37.83 34.31 1pgq s LYS 247 CO 0.00 0.40 1.33 -1.01 0.51 0.00 0.00 175.35 176.58 1pgq s HIS 248 N -2.15 3.10 0.08 3.18 3.76 -1.26 -0.67 115.29 121.33 1pgq s HIS 248 Ca 0.32 1.31 0.07 0.00 -0.15 0.00 0.00 55.06 56.60 1pgq s HIS 248 Cb -0.08 -3.68 -0.22 0.00 1.11 0.00 0.00 32.58 29.71 1pgq s HIS 248 CO 0.23 -1.98 1.13 1.25 -0.85 0.00 0.00 174.74 174.51 1pgq h LEU 249 N 4.09 0.06 -0.46 0.89 5.85 -1.83 -3.37 115.31 120.53 1pgq h LEU 249 Ca -0.47 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1pgq h LEU 249 Cb 1.22 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 1pgq h LEU 249 CO 0.70 1.06 0.20 0.25 -0.34 0.00 0.00 178.44 180.31 1pgq h LEU 250 N 0.01 0.27 -1.04 2.25 5.85 -1.83 0.53 115.31 121.34 1pgq h LEU 250 Ca -0.09 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1pgq h LEU 250 Cb 1.85 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1pgq h LEU 250 CO 0.13 0.19 0.20 -2.65 -0.34 0.00 0.00 178.44 175.97 1pgq n PRO 251 N -4.94 0.10 0.04 5.25 -0.02 -1.26 -2.03 135.00 132.14 1pgq n PRO 251 Ca 0.04 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.16 1pgq n PRO 251 Cb 0.15 -2.04 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 1pgq n PRO 251 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1pgq n LYS 252 N -2.11 0.63 -3.81 -0.52 4.76 0.17 -4.95 118.16 112.33 1pgq n LYS 252 Ca -0.01 0.10 -0.35 0.00 -2.87 0.00 0.00 58.31 55.18 1pgq n LYS 252 Cb 0.22 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.62 1pgq n LYS 252 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1pgq s ILE 253 N -3.15 5.36 0.12 -0.18 -5.25 -0.86 -5.03 121.20 112.20 1pgq s ILE 253 Ca -0.03 0.09 -0.31 0.00 -0.99 0.00 0.00 60.65 59.40 1pgq s ILE 253 Cb 0.10 -3.54 -0.09 0.00 2.95 0.00 0.00 42.46 41.87 1pgq s ILE 253 CO 0.82 0.38 1.59 -0.60 -1.79 0.00 0.00 174.94 175.35 1pgq s ARG 254 N -1.72 4.22 -1.51 0.37 3.52 -1.26 -4.95 118.95 117.61 1pgq s ARG 254 Ca 0.26 2.32 -0.09 0.00 -0.13 0.00 0.00 55.73 58.10 1pgq s ARG 254 Cb -0.13 -3.36 -0.01 0.00 -1.56 0.00 0.00 34.95 29.90 1pgq s ARG 254 CO 0.15 -0.65 2.70 -0.40 -0.81 0.00 0.00 175.30 176.29 1pgq n ASP 255 N 4.69 8.12 -3.80 -2.12 5.75 -1.26 -4.80 116.55 123.14 1pgq n ASP 255 Ca 0.15 -2.79 -0.30 0.00 -0.01 0.00 0.00 54.79 51.83 1pgq n ASP 255 Cb 0.40 -1.50 -0.14 0.00 -1.03 0.00 0.00 41.12 38.84 1pgq n ASP 255 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1pgq s SER 256 N 1.60 4.08 -0.06 -1.12 0.15 -1.26 -4.62 113.70 112.48 1pgq s SER 256 Ca 0.62 -2.14 -0.30 0.00 0.70 0.00 0.00 55.95 54.83 1pgq s SER 256 Cb 0.18 -1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 1pgq s SER 256 CO -0.07 -0.35 1.27 0.00 1.20 0.00 0.00 173.24 175.29 1pgq s ALA 257 N 0.95 3.54 0.69 5.45 0.00 -1.26 -4.90 121.76 126.23 1pgq s ALA 257 Ca 0.13 0.67 -0.11 0.00 0.00 0.00 0.00 51.96 52.65 1pgq s ALA 257 Cb -0.20 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1pgq s ALA 257 CO -0.12 -0.87 1.08 0.20 0.00 0.00 0.00 175.76 176.05 1pgq s GLY 258 N 1.68 1.64 0.04 0.00 0.00 -1.26 -4.70 107.32 104.71 1pgq s GLY 258 Ca 0.58 -0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.05 1pgq s GLY 258 CO 0.22 0.09 -0.04 1.20 0.00 0.00 0.00 173.10 174.57 1pgq s GLN 259 N -5.29 0.45 -0.45 2.90 -0.21 -1.26 -5.07 119.66 110.73 1pgq s GLN 259 Ca 0.57 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 55.24 1pgq s GLN 259 Cb -0.11 0.02 0.39 0.00 1.00 0.00 0.00 33.01 34.31 1pgq s GLN 259 CO 0.53 -0.04 0.98 1.17 -2.12 0.00 0.00 175.29 175.81 1pgq n LYS 260 N 1.19 2.63 0.00 2.91 3.00 -1.26 -5.05 118.16 121.58 1pgq n LYS 260 Ca -0.21 -4.24 0.00 0.00 -0.00 0.00 0.00 58.31 53.86 1pgq n LYS 260 Cb 0.56 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.60 1pgq n LYS 260 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pgq n GLY 261 N -0.23 0.00 0.27 3.14 0.00 -1.26 -4.72 105.19 102.38 1pgq n GLY 261 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.31 1pgq n GLY 261 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pgq h THR 262 N 0.00 0.96 -0.57 2.61 1.35 -1.96 -1.74 112.91 113.56 1pgq h THR 262 Ca 0.00 -0.25 -0.09 0.00 -0.55 0.00 0.00 66.41 65.52 1pgq h THR 262 Cb 0.00 0.19 -0.02 0.00 -1.73 0.00 0.00 68.15 66.59 1pgq h THR 262 CO 0.00 0.13 -0.01 1.23 -0.25 0.00 0.00 175.52 176.62 1pgq h GLY 263 N 0.71 1.09 0.02 5.82 0.00 -1.84 -2.34 103.07 106.53 1pgq h GLY 263 Ca 0.32 -0.81 0.08 0.00 0.00 0.00 0.00 47.33 46.91 1pgq h GLY 263 CO -0.19 0.75 -0.23 1.70 0.00 0.00 0.00 176.54 178.57 1pgq h LYS 264 N 0.90 -0.17 -0.60 4.80 3.64 -1.90 -2.58 116.57 120.66 1pgq h LYS 264 Ca 0.16 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1pgq h LYS 264 Cb 0.56 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1pgq h LYS 264 CO 0.03 -0.11 0.36 -1.49 -2.27 0.00 0.00 179.45 175.97 1pgq h TRP 265 N -0.17 0.78 0.34 1.91 6.55 -0.80 -1.57 115.95 123.00 1pgq h TRP 265 Ca 0.18 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 60.01 1pgq h TRP 265 Cb 0.45 -0.26 0.00 0.00 -0.86 0.00 0.00 29.16 28.50 1pgq h TRP 265 CO -0.44 0.52 -0.17 1.15 -1.05 0.00 0.00 178.44 178.46 1pgq h THR 266 N 0.83 0.66 -0.25 1.49 2.02 -1.06 -1.41 112.91 115.19 1pgq h THR 266 Ca 0.22 -0.03 0.05 0.00 0.77 0.00 0.00 66.41 67.41 1pgq h THR 266 Cb -0.03 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1pgq h THR 266 CO -0.04 0.01 -0.03 0.00 0.37 0.00 0.00 175.52 175.83 1pgq h ALA 267 N 0.18 0.19 -0.90 6.16 0.00 -1.25 -0.66 119.26 122.99 1pgq h ALA 267 Ca -0.05 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1pgq h ALA 267 Cb 0.37 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 1pgq h ALA 267 CO 0.08 -0.45 0.58 0.82 0.00 0.00 0.00 179.25 180.28 1pgq h ILE 268 N 0.04 0.97 -0.25 0.00 2.04 -1.14 -2.12 117.51 117.04 1pgq h ILE 268 Ca 0.12 -0.31 -0.14 0.00 1.00 0.00 0.00 64.86 65.53 1pgq h ILE 268 Cb 0.17 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1pgq h ILE 268 CO -0.23 0.16 -0.43 0.28 0.00 0.00 0.00 178.15 177.94 1pgq h SER 269 N 0.89 0.66 -0.17 1.72 0.02 -0.00 -0.92 113.55 115.74 1pgq h SER 269 Ca 0.42 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1pgq h SER 269 Cb 0.41 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 1pgq h SER 269 CO -0.18 1.00 0.09 0.00 -1.14 0.00 0.00 176.83 176.60 1pgq h ALA 270 N 1.03 0.21 0.23 3.77 0.00 -0.77 -0.34 119.26 123.38 1pgq h ALA 270 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1pgq h ALA 270 Cb 0.95 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1pgq h ALA 270 CO 0.09 -0.33 -0.13 -0.07 0.00 0.00 0.00 179.25 178.80 1pgq h LEU 271 N 0.20 -0.32 -0.51 0.00 -0.00 -1.14 0.44 115.31 113.98 1pgq h LEU 271 Ca 0.07 0.02 0.07 0.00 -0.00 0.00 0.00 57.88 58.04 1pgq h LEU 271 Cb 0.00 0.09 -0.06 0.00 -0.00 0.00 0.00 40.66 40.70 1pgq h LEU 271 CO -0.04 -0.21 0.17 -0.33 -0.00 0.00 0.00 178.44 178.03 1pgq h GLU 272 N -0.34 0.34 -0.01 1.13 5.08 -0.87 -3.01 114.58 116.90 1pgq h GLU 272 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1pgq h GLU 272 Cb 0.28 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1pgq h GLU 272 CO 0.03 0.22 -0.25 0.66 -1.00 0.00 0.00 179.01 178.67 1pgq n TYR 273 N -5.02 0.00 -2.46 4.33 4.01 -0.16 -4.97 117.16 112.89 1pgq n TYR 273 Ca 0.06 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.77 1pgq n TYR 273 Cb 0.21 -0.09 0.01 0.00 -0.31 0.00 0.00 39.34 39.16 1pgq n TYR 273 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pgq n GLY 274 N 1.33 0.60 3.45 2.72 0.00 0.14 -5.04 105.19 108.39 1pgq n GLY 274 Ca 0.13 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 1pgq n GLY 274 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pgq s VAL 275 N -2.76 4.41 -0.90 1.61 1.01 -0.26 -5.03 120.40 118.48 1pgq s VAL 275 Ca 0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 1pgq s VAL 275 Cb -0.02 -3.09 -0.08 0.00 0.00 0.00 0.00 36.38 33.18 1pgq s VAL 275 CO 0.07 0.29 2.36 -0.81 0.00 0.00 0.00 175.10 177.01 1pgq n PRO 276 N 4.94 2.28 -2.28 2.72 -0.04 -1.26 -4.44 135.00 136.92 1pgq n PRO 276 Ca -0.16 -1.47 -0.42 0.00 -0.04 0.00 0.00 63.50 61.42 1pgq n PRO 276 Cb 0.51 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.55 1pgq n PRO 276 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1pgq n VAL 277 N 3.82 3.61 0.10 0.52 0.31 -1.26 -4.81 118.33 120.62 1pgq n VAL 277 Ca 0.49 -3.60 -0.18 0.00 -0.01 0.00 0.00 64.34 61.03 1pgq n VAL 277 Cb 0.23 -2.40 -0.12 0.00 -0.91 0.00 0.00 33.84 30.64 1pgq n VAL 277 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1pgq h THR 278 N 5.18 1.41 -0.28 2.52 1.35 -1.95 -3.25 112.91 117.89 1pgq h THR 278 Ca 0.46 -2.78 -0.08 0.00 -0.55 0.00 0.00 66.41 63.46 1pgq h THR 278 Cb 0.81 2.81 -0.01 0.00 -1.73 0.00 0.00 68.15 70.04 1pgq h THR 278 CO 1.57 0.82 -0.15 0.25 -0.25 0.00 0.00 175.52 177.76 1pgq h LEU 279 N 0.15 0.62 -0.96 3.87 6.46 -1.90 -1.45 115.31 122.10 1pgq h LEU 279 Ca -0.15 -0.42 0.02 0.00 -0.12 0.00 0.00 57.88 57.21 1pgq h LEU 279 Cb 1.91 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 41.62 1pgq h LEU 279 CO 0.21 0.90 0.64 0.40 -0.62 0.00 0.00 178.44 179.97 1pgq h ILE 280 N 0.34 1.23 0.01 4.05 2.04 -1.89 0.91 117.51 124.19 1pgq h ILE 280 Ca 0.06 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1pgq h ILE 280 Cb 0.68 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1pgq h ILE 280 CO 0.04 0.23 -0.06 1.23 0.00 0.00 0.00 178.15 179.60 1pgq h GLY 281 N 1.28 -0.07 1.70 5.37 0.00 -1.54 -0.62 103.07 109.19 1pgq h GLY 281 Ca 0.36 0.07 -0.00 0.00 0.00 0.00 0.00 47.33 47.75 1pgq h GLY 281 CO -0.09 -0.06 0.17 0.83 0.00 0.00 0.00 176.54 177.39 1pgq h GLU 282 N -0.10 0.40 0.27 4.80 4.39 -0.11 -1.15 114.58 123.08 1pgq h GLU 282 Ca 0.02 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1pgq h GLU 282 Cb 0.13 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1pgq h GLU 282 CO -0.06 0.29 -0.13 0.00 -1.16 0.00 0.00 179.01 177.96 1pgq h ALA 283 N 1.78 -0.36 -0.55 3.43 0.00 -0.55 0.94 119.26 123.95 1pgq h ALA 283 Ca 0.11 -0.20 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1pgq h ALA 283 Cb 0.00 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1pgq h ALA 283 CO -0.02 -0.46 0.17 0.28 0.00 0.00 0.00 179.25 179.22 1pgq h VAL 284 N -0.84 0.75 -0.36 0.00 2.07 -0.46 0.41 116.25 117.83 1pgq h VAL 284 Ca -0.04 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1pgq h VAL 284 Cb 0.51 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1pgq h VAL 284 CO 0.06 0.06 -0.11 -0.26 0.02 0.00 0.00 177.57 177.34 1pgq h PHE 285 N 0.33 0.68 -0.20 1.57 0.04 -1.28 -1.43 116.94 116.65 1pgq h PHE 285 Ca 0.28 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.85 1pgq h PHE 285 Cb 0.35 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 1pgq h PHE 285 CO -0.19 0.72 -0.23 0.00 -0.60 0.00 0.00 178.31 178.01 1pgq h ALA 286 N 1.30 1.24 -0.32 2.45 0.00 0.13 -1.43 119.26 122.63 1pgq h ALA 286 Ca 0.10 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1pgq h ALA 286 Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1pgq h ALA 286 CO 0.03 0.50 -0.32 0.00 0.00 0.00 0.00 179.25 179.46 1pgq h ARG 287 N 0.33 0.70 -0.97 0.00 3.08 -0.57 -2.42 114.38 114.53 1pgq h ARG 287 Ca 0.05 -0.32 0.01 0.00 0.07 0.00 0.00 59.98 59.79 1pgq h ARG 287 Cb 0.59 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.58 1pgq h ARG 287 CO 0.04 0.92 0.63 0.00 -1.07 0.00 0.00 179.97 180.50 1pgq h LEU 289 N 1.32 0.43 -1.63 0.00 6.46 -1.15 -2.82 115.31 117.93 1pgq h LEU 289 Ca 0.36 -0.22 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 1pgq h LEU 289 Cb -0.14 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 1pgq h LEU 289 CO -0.07 0.54 -0.21 0.77 -0.62 0.00 0.00 178.44 178.85 1pgq h SER 290 N 0.31 0.00 0.02 1.25 4.64 -1.16 -1.98 113.55 116.63 1pgq h SER 290 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1pgq h SER 290 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1pgq h SER 290 CO -0.00 0.21 -0.01 0.28 -0.87 0.00 0.00 176.83 176.44 1pgq h SER 291 N 0.00 0.00 -0.77 4.97 0.02 -1.24 -3.00 113.55 113.54 1pgq h SER 291 Ca -0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 1pgq h SER 291 Cb 0.43 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.87 1pgq h SER 291 CO 0.03 0.01 1.85 0.18 -1.14 0.00 0.00 176.83 177.76 1pgq n LEU 292 N -3.72 7.46 -0.08 5.07 4.32 -0.75 -4.62 117.00 124.69 1pgq n LEU 292 Ca -0.03 -4.38 -0.12 0.00 -0.02 0.00 0.00 56.01 51.46 1pgq n LEU 292 Cb 0.09 -1.38 -0.05 0.00 -1.62 0.00 0.00 43.42 40.46 1pgq n LEU 292 CO 0.26 1.94 0.68 0.50 -1.22 0.00 0.00 177.39 179.56 1pgq h LYS 293 N 4.08 0.45 -0.38 3.23 3.11 -1.75 -1.49 116.57 123.82 1pgq h LYS 293 Ca 0.60 -0.19 -0.02 0.00 -2.81 0.00 0.00 60.65 58.23 1pgq h LYS 293 Cb 0.55 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 1pgq h LYS 293 CO 1.24 0.71 0.16 -0.44 -2.81 0.00 0.00 179.45 178.30 1pgq h ASP 294 N 0.17 0.52 -0.89 4.20 3.32 -1.90 -2.27 116.42 119.56 1pgq h ASP 294 Ca 0.05 -0.16 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1pgq h ASP 294 Cb 0.56 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 1pgq h ASP 294 CO 0.03 0.54 0.58 -0.08 -1.72 0.00 0.00 179.24 178.58 1pgq h GLU 295 N 0.47 1.09 -0.42 3.56 4.81 -1.86 -2.11 114.58 120.12 1pgq h GLU 295 Ca 0.13 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1pgq h GLU 295 Cb 0.18 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1pgq h GLU 295 CO -0.01 0.72 -0.27 0.00 -0.73 0.00 0.00 179.01 178.73 1pgq h ARG 296 N 1.13 0.90 -0.82 1.92 3.08 -1.00 0.93 114.38 120.52 1pgq h ARG 296 Ca 0.35 -0.40 0.12 0.00 0.07 0.00 0.00 59.98 60.11 1pgq h ARG 296 Cb -0.01 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1pgq h ARG 296 CO -0.11 1.06 0.53 0.82 -1.07 0.00 0.00 179.97 181.19 1pgq h ILE 297 N 0.77 0.90 -0.00 2.04 2.04 -0.82 0.84 117.51 123.27 1pgq h ILE 297 Ca 0.09 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1pgq h ILE 297 Cb 0.83 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1pgq h ILE 297 CO 0.07 0.12 -0.01 1.56 0.00 0.00 0.00 178.15 179.89 1pgq h GLN 298 N 0.68 0.02 -0.42 2.37 1.08 -0.89 -3.27 115.11 114.68 1pgq h GLN 298 Ca 0.39 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.55 1pgq h GLN 298 Cb 0.57 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.98 1pgq h GLN 298 CO -0.16 0.62 0.16 0.00 -0.95 0.00 0.00 178.83 178.51 1pgq h ALA 299 N 0.39 1.50 0.00 3.87 0.00 0.28 -2.51 119.26 122.80 1pgq h ALA 299 Ca -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1pgq h ALA 299 Cb 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pgq h ALA 299 CO 0.00 0.38 -0.14 0.66 0.00 0.00 0.00 179.25 180.16 1pgq h SER 300 N 0.59 0.00 0.56 0.00 4.64 -0.93 0.31 113.55 118.72 1pgq h SER 300 Ca 0.14 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.31 1pgq h SER 300 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1pgq h SER 300 CO -0.01 0.14 -0.69 0.11 -0.87 0.00 0.00 176.83 175.50 1pgq h LYS 301 N 0.00 0.12 0.00 4.77 1.57 -1.50 -3.38 116.57 118.15 1pgq h LYS 301 Ca -0.00 -0.09 -0.34 0.00 -1.87 0.00 0.00 60.65 58.34 1pgq h LYS 301 Cb 0.25 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 1pgq h LYS 301 CO 0.02 0.76 -2.29 1.17 -0.57 0.00 0.00 179.45 178.54 1pgq n LYS 302 N -3.76 0.60 -3.39 3.15 4.81 -0.61 -4.99 118.16 113.97 1pgq n LYS 302 Ca -0.02 0.12 -0.38 0.00 -0.87 0.00 0.00 58.31 57.17 1pgq n LYS 302 Cb 0.68 -1.46 -0.06 0.00 0.02 0.00 0.00 35.03 34.21 1pgq n LYS 302 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1pgq s LEU 303 N -6.27 4.31 0.12 3.14 1.43 0.10 -5.05 118.68 116.46 1pgq s LEU 303 Ca -0.29 0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 1pgq s LEU 303 Cb 0.08 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1pgq s LEU 303 CO 0.54 0.09 0.27 -0.54 0.23 0.00 0.00 176.35 176.94 1pgq s LYS 304 N 0.24 3.46 0.22 1.70 -0.14 -1.26 -4.68 119.74 119.27 1pgq s LYS 304 Ca 0.24 -0.48 0.03 0.00 -1.36 0.00 0.00 55.97 54.39 1pgq s LYS 304 Cb -0.15 -2.97 0.03 0.00 -1.68 0.00 0.00 37.83 33.05 1pgq s LYS 304 CO 0.10 0.54 0.23 0.41 -0.76 0.00 0.00 175.35 175.87 1pgq n GLY 305 N -0.22 2.47 3.75 -3.33 0.00 -1.26 -5.10 105.19 101.50 1pgq n GLY 305 Ca -0.06 -2.20 -0.31 0.00 0.00 0.00 0.00 46.02 43.46 1pgq n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1pgq s PRO 306 N -2.94 2.05 0.26 1.61 0.04 -1.26 -4.95 135.00 129.81 1pgq s PRO 306 Ca 0.18 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.13 1pgq s PRO 306 Cb -0.01 -1.87 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 1pgq s PRO 306 CO 0.11 -1.81 1.57 -1.14 0.04 0.00 0.00 177.00 175.77 1pgq s GLN 307 N -4.87 4.16 -0.37 4.56 0.74 -1.26 -4.85 119.66 117.78 1pgq s GLN 307 Ca 0.62 2.50 -0.29 0.00 0.05 0.00 0.00 55.36 58.24 1pgq s GLN 307 Cb -0.18 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.87 1pgq s GLN 307 CO 0.56 -0.59 1.46 1.21 -0.55 0.00 0.00 175.29 177.38 1pgq s ASN 308 N 0.58 6.34 -0.32 6.67 2.47 -1.26 -4.97 114.94 124.45 1pgq s ASN 308 Ca 0.64 1.02 -0.05 0.00 0.42 0.00 0.00 52.86 54.89 1pgq s ASN 308 Cb -0.46 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 36.84 1pgq s ASN 308 CO 0.44 -1.40 0.06 -0.63 -3.72 0.00 0.00 177.10 171.85 1pgq s ILE 309 N 5.43 3.50 0.46 -5.21 1.01 -1.26 -5.11 121.20 120.03 1pgq s ILE 309 Ca 0.64 -1.15 -0.22 0.00 0.00 0.00 0.00 60.65 59.91 1pgq s ILE 309 Cb -0.16 -2.96 -0.10 0.00 0.01 0.00 0.00 42.46 39.24 1pgq s ILE 309 CO 0.31 -0.10 0.78 -2.65 0.00 0.00 0.00 174.94 173.28 1pgq n PRO 310 N 4.75 0.92 -2.07 2.79 -0.02 -1.26 -4.88 135.00 135.23 1pgq n PRO 310 Ca -0.13 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 1pgq n PRO 310 Cb 0.45 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.07 1pgq n PRO 310 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1pgq s PHE 311 N -1.42 2.33 -0.32 6.00 5.36 -1.26 -4.94 117.98 123.72 1pgq s PHE 311 Ca 0.65 0.42 0.03 0.00 -0.96 0.00 0.00 56.93 57.07 1pgq s PHE 311 Cb -0.54 -3.84 0.09 0.00 -0.34 0.00 0.00 43.02 38.38 1pgq s PHE 311 CO 0.56 -3.38 0.01 -2.00 -1.46 0.00 0.00 175.22 168.95 1pgq s GLU 312 N 3.35 1.81 0.00 10.12 2.12 -1.26 -5.04 118.70 129.79 1pgq s GLU 312 Ca 0.70 -1.68 0.00 0.00 0.36 0.00 0.00 54.97 54.35 1pgq s GLU 312 Cb -0.33 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 30.92 1pgq s GLU 312 CO 0.28 -0.82 0.00 0.41 -0.54 0.00 0.00 175.26 174.59 1pgq n GLY 313 N 4.35 -2.06 3.72 -1.50 0.00 -1.26 -5.12 105.19 103.33 1pgq n GLY 313 Ca -0.03 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.41 1pgq n GLY 313 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pgq s ASP 314 N -1.23 6.93 0.18 1.61 2.15 -1.26 -4.95 116.67 120.09 1pgq s ASP 314 Ca 0.00 1.12 -0.11 0.00 0.43 0.00 0.00 52.55 53.99 1pgq s ASP 314 Cb 0.00 -2.39 0.08 0.00 -0.30 0.00 0.00 42.92 40.31 1pgq s ASP 314 CO 0.00 -0.08 1.69 0.11 -0.17 0.00 0.00 175.17 176.72 1pgq h LYS 315 N 6.68 0.97 -0.66 4.34 1.57 -1.99 -1.91 116.57 125.57 1pgq h LYS 315 Ca -0.41 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.09 1pgq h LYS 315 Cb 1.19 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 1pgq h LYS 315 CO 0.75 0.88 0.22 0.87 -0.57 0.00 0.00 179.45 181.60 1pgq h LYS 316 N 0.89 1.02 -0.59 3.15 1.57 -1.99 0.54 116.57 121.15 1pgq h LYS 316 Ca 0.19 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1pgq h LYS 316 Cb 0.33 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1pgq h LYS 316 CO -0.00 0.88 0.27 0.77 -0.57 0.00 0.00 179.45 180.79 1pgq h SER 317 N 0.96 0.79 -0.45 0.86 0.02 -1.95 -1.93 113.55 111.85 1pgq h SER 317 Ca 0.22 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1pgq h SER 317 Cb 0.27 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 1pgq h SER 317 CO -0.01 0.72 -0.04 0.15 -1.14 0.00 0.00 176.83 176.51 1pgq h PHE 318 N 0.81 0.90 -0.14 3.45 3.57 -1.00 -0.55 116.94 123.99 1pgq h PHE 318 Ca 0.20 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1pgq h PHE 318 Cb 0.15 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1pgq h PHE 318 CO 0.00 0.88 0.10 1.25 -2.23 0.00 0.00 178.31 178.32 1pgq h LEU 319 N 0.66 0.00 0.20 0.59 5.85 -0.42 -0.28 115.31 121.90 1pgq h LEU 319 Ca 0.12 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1pgq h LEU 319 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1pgq h LEU 319 CO 0.03 0.00 -0.10 -0.08 -0.34 0.00 0.00 178.44 177.95 1pgq h GLU 320 N 0.00 -0.26 -0.97 1.25 4.22 -0.65 -2.66 114.58 115.50 1pgq h GLU 320 Ca 0.07 0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.69 1pgq h GLU 320 Cb 0.27 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 29.49 1pgq h GLU 320 CO -0.00 0.10 0.61 -0.44 -2.18 0.00 0.00 179.01 177.10 1pgq h ASP 321 N -0.69 0.74 -0.36 1.04 3.32 0.49 -0.03 116.42 120.93 1pgq h ASP 321 Ca -0.03 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 1pgq h ASP 321 Cb 0.49 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1pgq h ASP 321 CO 0.05 0.33 -0.36 0.40 -1.72 0.00 0.00 179.24 177.93 1pgq h ILE 322 N 0.76 1.27 -0.45 0.35 2.04 -1.23 0.03 117.51 120.29 1pgq h ILE 322 Ca 0.52 -1.54 0.09 0.00 1.00 0.00 0.00 64.86 64.93 1pgq h ILE 322 Cb 0.80 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 38.16 1pgq h ILE 322 CO -0.29 0.51 -0.09 -0.09 0.00 0.00 0.00 178.15 178.20 1pgq h ARG 323 N 0.75 0.02 -0.32 2.37 1.12 -0.67 -0.40 114.38 117.25 1pgq h ARG 323 Ca 0.07 -0.00 -0.13 0.00 -1.11 0.00 0.00 59.98 58.80 1pgq h ARG 323 Cb 0.95 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.89 1pgq h ARG 323 CO 0.09 0.01 -0.33 0.87 -3.11 0.00 0.00 179.97 177.50 1pgq h LYS 324 N 0.02 0.70 -0.13 0.20 1.79 -1.06 -1.72 116.57 116.38 1pgq h LYS 324 Ca 0.22 -0.33 -0.04 0.00 -2.18 0.00 0.00 60.65 58.32 1pgq h LYS 324 Cb 0.33 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1pgq h LYS 324 CO -0.44 0.94 -0.06 0.00 -1.08 0.00 0.00 179.45 178.81 1pgq h ALA 325 N 1.04 0.18 -1.01 3.86 0.00 -0.42 -0.74 119.26 122.17 1pgq h ALA 325 Ca 0.06 -0.26 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1pgq h ALA 325 Cb 0.85 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1pgq h ALA 325 CO 0.07 -0.03 0.65 1.25 0.00 0.00 0.00 179.25 181.19 1pgq h LEU 326 N -0.08 1.04 0.09 0.00 6.46 -1.00 -1.74 115.31 120.08 1pgq h LEU 326 Ca 0.03 0.01 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1pgq h LEU 326 Cb 0.52 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1pgq h LEU 326 CO 0.02 0.66 -0.04 0.22 -0.62 0.00 0.00 178.44 178.67 1pgq h TYR 327 N 1.17 -0.11 -0.97 1.25 3.20 -1.24 -1.54 116.97 118.73 1pgq h TYR 327 Ca 0.44 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.39 1pgq h TYR 327 Cb 0.18 0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 1pgq h TYR 327 CO -0.00 0.42 0.62 0.00 -1.64 0.00 0.00 178.16 177.55 1pgq h ALA 328 N -0.07 1.39 -0.21 1.82 0.00 -1.05 -1.61 119.26 119.52 1pgq h ALA 328 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1pgq h ALA 328 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1pgq h ALA 328 CO 0.02 0.34 0.03 0.77 0.00 0.00 0.00 179.25 180.41 1pgq h SER 329 N 1.07 0.33 -0.69 0.00 0.02 -1.39 -2.39 113.55 110.50 1pgq h SER 329 Ca 0.44 -0.26 0.12 0.00 -0.84 0.00 0.00 61.79 61.25 1pgq h SER 329 Cb 0.27 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.64 1pgq h SER 329 CO -0.21 0.51 0.25 0.50 -1.14 0.00 0.00 176.83 176.75 1pgq h LYS 330 N 0.14 0.40 0.10 3.45 3.64 -0.59 -0.35 116.57 123.35 1pgq h LYS 330 Ca 0.06 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1pgq h LYS 330 Cb 0.32 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1pgq h LYS 330 CO 0.00 0.26 -0.27 0.82 -2.27 0.00 0.00 179.45 178.00 1pgq h ILE 331 N 0.41 0.41 -0.73 2.00 2.04 -1.11 -1.11 117.51 119.42 1pgq h ILE 331 Ca 0.37 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.26 1pgq h ILE 331 Cb 0.52 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1pgq h ILE 331 CO -0.38 0.00 0.48 0.40 0.00 0.00 0.00 178.15 178.65 1pgq h ILE 332 N -0.47 1.11 -0.49 -0.67 5.03 -0.74 0.24 117.51 121.51 1pgq h ILE 332 Ca 0.03 -0.30 -0.11 0.00 -0.12 0.00 0.00 64.86 64.37 1pgq h ILE 332 Cb 0.50 0.15 -0.02 0.00 -3.03 0.00 0.00 36.82 34.43 1pgq h ILE 332 CO -0.16 0.16 -0.10 -1.28 -0.68 0.00 0.00 178.15 176.08 1pgq h SER 333 N 0.88 0.95 -0.13 1.72 0.87 -0.39 -1.56 113.55 115.90 1pgq h SER 333 Ca 0.29 -0.35 -0.19 0.00 -1.23 0.00 0.00 61.79 60.30 1pgq h SER 333 Cb 0.06 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1pgq h SER 333 CO -0.08 1.08 -0.64 1.88 -0.53 0.00 0.00 176.83 178.54 1pgq h TYR 334 N 0.80 0.96 -0.83 2.24 -1.99 -0.35 0.65 116.97 118.46 1pgq h TYR 334 Ca 0.13 -0.38 0.04 0.00 2.00 0.00 0.00 58.73 60.52 1pgq h TYR 334 Cb 0.66 -0.17 -0.05 0.00 2.00 0.00 0.00 36.73 39.17 1pgq h TYR 334 CO 0.05 1.18 0.53 0.00 -0.00 0.00 0.00 178.16 179.92 1pgq h ALA 335 N 0.72 1.09 -0.40 3.88 0.00 -0.86 -0.09 119.26 123.60 1pgq h ALA 335 Ca -0.01 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1pgq h ALA 335 Cb 1.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1pgq h ALA 335 CO 0.13 0.35 -0.35 1.96 0.00 0.00 0.00 179.25 181.34 1pgq h GLN 336 N 1.02 0.93 -0.07 0.00 4.20 -1.13 -2.49 115.11 117.58 1pgq h GLN 336 Ca 0.33 -0.47 0.04 0.00 0.06 0.00 0.00 58.65 58.61 1pgq h GLN 336 Cb 0.03 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 1pgq h GLN 336 CO -0.12 1.12 -0.20 0.78 -0.67 0.00 0.00 178.83 179.75 1pgq h GLY 337 N 0.82 -0.22 2.00 3.46 0.00 0.29 -1.94 103.07 107.49 1pgq h GLY 337 Ca 0.07 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.64 1pgq h GLY 337 CO 0.09 -0.18 0.00 0.74 0.00 0.00 0.00 176.54 177.19 1pgq h PHE 338 N -0.28 0.00 -0.30 5.60 -1.00 -1.08 -2.00 116.94 117.88 1pgq h PHE 338 Ca 0.08 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.79 1pgq h PHE 338 Cb 0.39 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.94 1pgq h PHE 338 CO -0.27 0.00 -0.09 0.52 -1.61 0.00 0.00 178.31 176.85 1pgq h MET 339 N 0.00 0.49 0.39 1.51 2.86 -0.89 -1.00 114.93 118.29 1pgq h MET 339 Ca 0.00 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 1pgq h MET 339 Cb 0.69 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1pgq h MET 339 CO 0.00 0.59 -0.19 1.25 1.06 0.00 0.00 176.91 179.63 1pgq h LEU 340 N 0.46 -0.44 -0.78 1.22 6.46 -0.80 -0.93 115.31 120.49 1pgq h LEU 340 Ca 0.09 -0.10 0.14 0.00 -0.12 0.00 0.00 57.88 57.89 1pgq h LEU 340 Cb 0.45 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 40.40 1pgq h LEU 340 CO 0.02 -0.15 0.36 -0.07 -0.62 0.00 0.00 178.44 177.98 1pgq h LEU 341 N -0.74 0.40 -0.09 2.25 4.07 -1.27 -0.76 115.31 119.17 1pgq h LEU 341 Ca -0.05 0.10 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1pgq h LEU 341 Cb 0.51 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.29 1pgq h LEU 341 CO 0.09 0.17 0.06 -0.09 -1.08 0.00 0.00 178.44 177.59 1pgq h ARG 342 N 0.53 0.12 -0.22 1.13 2.43 -1.09 -0.72 114.38 116.56 1pgq h ARG 342 Ca 0.42 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.49 1pgq h ARG 342 Cb 0.60 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1pgq h ARG 342 CO -0.37 0.08 -0.27 0.37 -1.51 0.00 0.00 179.97 178.27 1pgq h GLN 343 N 0.12 0.41 -0.11 0.20 5.75 -0.01 -1.90 115.11 119.58 1pgq h GLN 343 Ca 0.03 -0.16 -0.13 0.00 -0.15 0.00 0.00 58.65 58.24 1pgq h GLN 343 Cb -0.01 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 1pgq h GLN 343 CO -0.01 0.65 -0.51 0.00 -2.65 0.00 0.00 178.83 176.31 1pgq h ALA 344 N 1.35 0.93 -0.32 3.38 0.00 -0.93 0.10 119.26 123.77 1pgq h ALA 344 Ca 0.05 -0.48 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1pgq h ALA 344 Cb 0.67 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1pgq h ALA 344 CO 0.05 0.67 0.20 0.00 0.00 0.00 0.00 179.25 180.17 1pgq h ALA 345 N 1.23 0.41 -0.10 0.00 0.00 -0.37 0.29 119.26 120.72 1pgq h ALA 345 Ca 0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1pgq h ALA 345 Cb 0.98 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1pgq h ALA 345 CO 0.08 -0.15 -0.45 1.79 0.00 0.00 0.00 179.25 180.52 1pgq h THR 346 N 0.41 1.33 -0.20 0.00 1.35 -0.96 0.44 112.91 115.28 1pgq h THR 346 Ca 0.12 -1.63 -0.07 0.00 -0.55 0.00 0.00 66.41 64.28 1pgq h THR 346 Cb -0.03 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1pgq h THR 346 CO -0.04 0.48 -0.17 -0.08 -0.25 0.00 0.00 175.52 175.46 1pgq h GLU 347 N 0.20 0.46 -0.01 4.72 4.57 -0.23 -3.34 114.58 120.96 1pgq h GLU 347 Ca 0.01 -0.23 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1pgq h GLU 347 Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 1pgq h GLU 347 CO 0.07 0.80 -0.33 1.19 -1.18 0.00 0.00 179.01 179.56 1pgq n PHE 348 N -4.48 0.00 -2.43 0.92 3.72 0.04 -5.04 117.46 110.18 1pgq n PHE 348 Ca -0.05 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.28 1pgq n PHE 348 Cb 0.38 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.96 1pgq n PHE 348 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pgq n GLY 349 N 1.06 -0.01 3.50 1.37 0.00 0.11 -5.05 105.19 106.17 1pgq n GLY 349 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1pgq n GLY 349 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pgq s TRP 350 N -3.18 2.63 -0.70 1.61 0.51 -0.99 -4.99 118.94 113.85 1pgq s TRP 350 Ca 0.14 -0.21 -0.10 0.00 -2.12 0.00 0.00 56.10 53.81 1pgq s TRP 350 Cb -0.02 -1.47 0.18 0.00 -0.81 0.00 0.00 33.47 31.35 1pgq s TRP 350 CO 0.34 0.31 0.59 0.99 -0.51 0.00 0.00 176.95 178.67 1pgq s THR 351 N -0.99 4.78 0.40 2.01 2.01 -1.26 -4.63 115.64 117.95 1pgq s THR 351 Ca 0.16 -2.48 -0.16 0.00 0.31 0.00 0.00 61.69 59.52 1pgq s THR 351 Cb -0.11 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 1pgq s THR 351 CO 0.07 -0.94 0.84 -0.76 -0.69 0.00 0.00 174.62 173.15 1pgq s LEU 352 N 0.33 3.92 -0.44 4.42 1.43 -1.26 -4.86 118.68 122.22 1pgq s LEU 352 Ca 0.15 1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 54.56 1pgq s LEU 352 Cb -0.17 -4.27 0.08 0.00 0.03 0.00 0.00 46.19 41.86 1pgq s LEU 352 CO -0.05 -0.34 0.30 0.21 0.23 0.00 0.00 176.35 176.70 1pgq s ASN 353 N -2.52 5.80 0.29 2.29 3.84 -1.26 -4.97 114.94 118.41 1pgq s ASN 353 Ca 0.57 -1.45 0.00 0.00 0.21 0.00 0.00 52.86 52.19 1pgq s ASN 353 Cb -0.10 -2.05 0.44 0.00 -0.55 0.00 0.00 41.25 38.99 1pgq s ASN 353 CO 0.21 -0.57 1.82 1.88 -2.79 0.00 0.00 177.10 177.64 1pgq h TYR 354 N 8.52 0.75 -0.17 0.43 0.05 -1.96 -1.05 116.97 123.54 1pgq h TYR 354 Ca -0.25 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.38 1pgq h TYR 354 Cb 1.09 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.60 1pgq h TYR 354 CO 0.62 0.68 -0.22 0.78 -1.05 0.00 0.00 178.16 178.97 1pgq h GLY 355 N 0.93 0.33 0.95 3.88 0.00 -1.87 -0.47 103.07 106.82 1pgq h GLY 355 Ca 0.14 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1pgq h GLY 355 CO 0.01 0.22 -0.05 -1.33 0.00 0.00 0.00 176.54 175.39 1pgq h GLY 356 N 0.95 -0.14 0.90 4.60 0.00 -1.60 -1.39 103.07 106.39 1pgq h GLY 356 Ca 0.05 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.44 1pgq h GLY 356 CO 0.04 -0.05 -0.01 -2.22 0.00 0.00 0.00 176.54 174.29 1pgq h ILE 357 N -0.19 0.95 -0.85 2.60 2.04 -1.22 -0.29 117.51 120.55 1pgq h ILE 357 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.97 1pgq h ILE 357 Cb 0.15 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 1pgq h ILE 357 CO 0.02 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.65 1pgq h ALA 358 N 1.04 1.26 -0.27 1.87 0.00 -0.87 -0.14 119.26 122.14 1pgq h ALA 358 Ca 0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1pgq h ALA 358 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1pgq h ALA 358 CO -0.05 0.02 0.05 1.25 0.00 0.00 0.00 179.25 180.52 1pgq h LEU 359 N 0.73 0.41 -2.79 0.00 7.12 -0.97 -2.18 115.31 117.63 1pgq h LEU 359 Ca 0.44 -0.25 -0.00 0.00 0.13 0.00 0.00 57.88 58.20 1pgq h LEU 359 Cb 0.51 -0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1pgq h LEU 359 CO -0.30 0.56 -0.00 0.24 -0.13 0.00 0.00 178.44 178.80 1pgq h MET 360 N 0.25 0.00 -0.03 1.25 2.86 0.77 0.12 114.93 120.16 1pgq h MET 360 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1pgq h MET 360 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 1pgq h MET 360 CO 0.00 0.00 -0.02 0.91 1.06 0.00 0.00 176.91 178.87 1pgq n TRP 361 N -3.29 0.00 0.15 -0.22 8.01 -0.76 -4.36 117.44 116.98 1pgq n TRP 361 Ca -0.03 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.24 1pgq n TRP 361 Cb 0.08 -0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.45 1pgq n TRP 361 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.69 176.59 1pgq h ARG 362 N 4.39 0.00 -3.79 -0.99 2.43 -0.32 -3.30 114.38 112.80 1pgq h ARG 362 Ca 0.00 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.06 1pgq h ARG 362 Cb 0.94 0.00 -0.16 0.00 -0.42 0.00 0.00 29.97 30.33 1pgq h ARG 362 CO 0.00 0.16 -0.46 0.20 -1.51 0.00 0.00 179.97 178.35 1pgq s GLY 363 N -4.37 0.15 0.00 2.80 0.00 -1.25 -3.98 107.32 100.66 1pgq s GLY 363 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1pgq s GLY 363 CO 0.73 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.71 1pgq n GLY 364 N 0.45 1.95 3.70 0.20 0.00 -1.26 -4.45 105.19 105.79 1pgq n GLY 364 Ca -0.17 -0.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.95 1pgq n GLY 364 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgq h ILE 366 N -1.63 0.73 -0.36 0.00 5.03 -1.90 -1.90 117.51 117.49 1pgq h ILE 366 Ca -0.44 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 1pgq h ILE 366 Cb 1.26 0.90 0.00 0.00 -3.03 0.00 0.00 36.82 35.95 1pgq h ILE 366 CO 0.46 0.00 0.00 2.30 -0.68 0.00 0.00 178.15 180.23 1pgq n ILE 367 N -4.21 0.67 -1.77 -0.67 -5.35 -1.26 -4.34 119.36 102.44 1pgq n ILE 367 Ca 0.01 -0.54 -0.41 0.00 -0.27 0.00 0.00 62.75 61.54 1pgq n ILE 367 Cb 0.26 0.13 -0.00 0.00 -1.74 0.00 0.00 39.64 38.28 1pgq n ILE 367 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 1pgq n ARG 368 N 0.54 2.69 -3.54 6.28 1.85 -0.72 -4.89 116.66 118.88 1pgq n ARG 368 Ca 0.13 0.95 -0.07 0.00 -1.00 0.00 0.00 57.85 57.85 1pgq n ARG 368 Cb 0.39 -2.70 -0.02 0.00 -1.05 0.00 0.00 32.46 29.09 1pgq n ARG 368 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1pgq s SER 369 N 0.05 -0.29 0.43 2.89 1.04 -1.26 -2.38 113.70 114.19 1pgq s SER 369 Ca 0.56 0.03 0.16 0.00 0.48 0.00 0.00 55.95 57.18 1pgq s SER 369 Cb -0.48 0.30 1.05 0.00 0.10 0.00 0.00 66.02 66.99 1pgq s SER 369 CO 0.59 -0.47 1.92 0.58 0.98 0.00 0.00 173.24 176.84 1pgq h VAL 370 N 2.05 0.80 -0.16 5.02 2.07 -1.84 -2.18 116.25 122.01 1pgq h VAL 370 Ca -0.18 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1pgq h VAL 370 Cb 1.21 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1pgq h VAL 370 CO 0.28 0.08 -0.17 0.15 0.02 0.00 0.00 177.57 177.93 1pgq h PHE 371 N 0.42 -0.44 -0.04 1.57 3.57 -1.80 -1.79 116.94 118.44 1pgq h PHE 371 Ca 0.37 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.91 1pgq h PHE 371 Cb 0.84 0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 1pgq h PHE 371 CO -0.00 -0.24 0.13 -0.07 -2.23 0.00 0.00 178.31 175.90 1pgq h LEU 372 N -0.20 0.00 0.21 0.59 -0.00 -1.72 -1.37 115.31 112.82 1pgq h LEU 372 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.98 1pgq h LEU 372 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.02 1pgq h LEU 372 CO -0.28 0.00 -0.10 1.23 -0.00 0.00 0.00 178.44 179.29 1pgq h GLY 373 N 0.00 -0.30 1.68 0.83 0.00 -1.41 0.00 103.07 103.87 1pgq h GLY 373 Ca 0.02 0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1pgq h GLY 373 CO -0.00 -0.11 0.01 0.50 0.00 0.00 0.00 176.54 176.94 1pgq h LYS 374 N -0.55 0.40 -0.57 4.80 1.79 -1.20 -1.17 116.57 120.08 1pgq h LYS 374 Ca -0.03 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.33 1pgq h LYS 374 Cb 0.41 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 1pgq h LYS 374 CO 0.05 0.42 0.19 0.82 -1.08 0.00 0.00 179.45 179.86 1pgq h ILE 375 N 0.40 1.24 -0.46 1.86 2.04 -1.22 -2.42 117.51 118.94 1pgq h ILE 375 Ca 0.09 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1pgq h ILE 375 Cb 0.25 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1pgq h ILE 375 CO 0.00 0.30 0.22 0.50 0.00 0.00 0.00 178.15 179.17 1pgq h LYS 376 N 0.80 0.67 -0.00 2.37 3.64 0.19 -2.47 116.57 121.77 1pgq h LYS 376 Ca 0.19 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1pgq h LYS 376 Cb 0.26 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1pgq h LYS 376 CO -0.01 0.58 -0.04 -0.40 -2.27 0.00 0.00 179.45 177.31 1pgq n ASP 377 N -4.63 0.43 -0.04 4.20 5.68 -0.75 -0.64 116.55 120.80 1pgq n ASP 377 Ca 0.01 -0.85 -0.14 0.00 -0.50 0.00 0.00 54.79 53.31 1pgq n ASP 377 Cb 0.12 -0.06 -0.08 0.00 -1.14 0.00 0.00 41.12 39.96 1pgq n ASP 377 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pgq h ALA 378 N 3.87 0.18 0.00 2.12 0.00 -0.98 -1.95 119.26 122.49 1pgq h ALA 378 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1pgq h ALA 378 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pgq h ALA 378 CO 0.00 0.14 -0.01 0.74 0.00 0.00 0.00 179.25 180.11 1pgq h PHE 379 N -0.08 0.00 -0.02 0.00 0.04 -1.17 -2.09 116.94 113.62 1pgq h PHE 379 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1pgq h PHE 379 Cb 0.81 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.96 1pgq h PHE 379 CO 0.11 0.00 -0.21 -0.44 -0.60 0.00 0.00 178.31 177.17 1pgq h ASP 380 N 0.00 0.22 -0.89 2.17 3.32 -0.87 -2.00 116.42 118.37 1pgq h ASP 380 Ca 0.00 -0.72 0.21 0.00 0.02 0.00 0.00 57.03 56.54 1pgq h ASP 380 Cb 0.86 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 40.28 1pgq h ASP 380 CO 0.00 0.90 0.59 -0.09 -1.72 0.00 0.00 179.24 178.92 1pgq h ARG 381 N -0.45 0.35 -1.02 3.56 2.43 -1.28 -3.37 114.38 114.60 1pgq h ARG 381 Ca -0.02 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1pgq h ARG 381 Cb 0.92 -0.08 -0.21 0.00 -0.42 0.00 0.00 29.97 30.17 1pgq h ARG 381 CO 0.04 0.23 -0.38 1.21 -1.51 0.00 0.00 179.97 179.57 1pgq s ASN 382 N -5.66 -1.56 0.00 -3.80 3.84 -0.79 -5.02 114.94 101.95 1pgq s ASN 382 Ca -0.08 0.23 0.26 0.00 0.21 0.00 0.00 52.86 53.48 1pgq s ASN 382 Cb 0.22 2.02 1.40 0.00 -0.55 0.00 0.00 41.25 44.34 1pgq s ASN 382 CO 0.78 -0.30 1.89 -0.81 -2.79 0.00 0.00 177.10 175.87 1pgq n PRO 383 N 5.42 0.53 -0.26 0.43 -0.04 -0.75 -3.18 135.00 137.16 1pgq n PRO 383 Ca 0.04 0.03 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 1pgq n PRO 383 Cb 0.54 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.73 1pgq n PRO 383 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1pgq n GLY 384 N 0.80 2.43 3.65 0.55 0.00 -1.26 -4.95 105.19 106.40 1pgq n GLY 384 Ca 0.15 -0.60 -0.49 0.00 0.00 0.00 0.00 46.02 45.09 1pgq n GLY 384 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pgq n LEU 385 N 1.12 2.61 0.10 0.99 7.94 -1.19 -4.92 117.00 123.64 1pgq n LEU 385 Ca 0.18 1.08 -0.16 0.00 -1.11 0.00 0.00 56.01 56.00 1pgq n LEU 385 Cb 0.53 -1.33 -0.11 0.00 0.53 0.00 0.00 43.42 43.04 1pgq n LEU 385 CO 0.13 -0.53 0.01 1.56 -1.11 0.00 0.00 177.39 177.45 1pgq h GLN 386 N 5.83 0.37 -2.46 1.96 4.20 -1.94 -3.47 115.11 119.61 1pgq h GLN 386 Ca -0.46 -0.53 -0.08 0.00 0.06 0.00 0.00 58.65 57.64 1pgq h GLN 386 Cb 1.29 0.18 -0.25 0.00 0.30 0.00 0.00 27.48 29.00 1pgq h GLN 386 CO 0.86 1.22 -0.19 1.21 -0.67 0.00 0.00 178.83 181.26 1pgq s ASN 387 N -7.19 -0.63 0.48 1.46 3.84 -1.26 -4.90 114.94 106.73 1pgq s ASN 387 Ca -0.05 1.07 0.32 0.00 0.21 0.00 0.00 52.86 54.41 1pgq s ASN 387 Cb 0.07 0.97 1.42 0.00 -0.55 0.00 0.00 41.25 43.16 1pgq s ASN 387 CO 0.89 -0.20 1.72 0.25 -2.79 0.00 0.00 177.10 176.97 1pgq h LEU 388 N 6.83 0.18 -1.33 3.21 5.85 -1.91 -0.33 115.31 127.81 1pgq h LEU 388 Ca -0.34 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1pgq h LEU 388 Cb 1.19 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1pgq h LEU 388 CO 0.24 -0.02 0.00 -0.07 -0.34 0.00 0.00 178.44 178.26 1pgq h LEU 389 N 0.13 0.00 -0.33 2.25 3.38 -1.94 -2.09 115.31 116.72 1pgq h LEU 389 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.65 1pgq h LEU 389 Cb 2.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.06 1pgq h LEU 389 CO -0.19 0.00 -0.32 0.18 0.09 0.00 0.00 178.44 178.20 1pgq n LEU 390 N -2.66 0.84 -4.71 1.67 4.32 -0.14 -3.52 117.00 112.80 1pgq n LEU 390 Ca 0.01 -0.17 -0.42 0.00 -0.02 0.00 0.00 56.01 55.41 1pgq n LEU 390 Cb 0.22 -0.16 -0.03 0.00 -1.62 0.00 0.00 43.42 41.82 1pgq n LEU 390 CO 0.22 0.17 0.73 -0.62 -1.22 0.00 0.00 177.39 176.66 1pgq s ASP 391 N -2.65 7.32 0.35 -1.43 2.15 -0.78 -4.88 116.67 116.73 1pgq s ASP 391 Ca 0.20 1.76 0.13 0.00 0.43 0.00 0.00 52.55 55.08 1pgq s ASP 391 Cb 0.19 -2.57 0.99 0.00 -0.30 0.00 0.00 42.92 41.23 1pgq s ASP 391 CO 0.57 -0.29 1.72 0.44 -0.17 0.00 0.00 175.17 177.45 1pgq h ASP 392 N 6.64 0.58 0.14 -0.34 3.32 -1.88 -0.20 116.42 124.69 1pgq h ASP 392 Ca -0.41 0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1pgq h ASP 392 Cb 1.22 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 1pgq h ASP 392 CO 0.76 0.05 -0.12 0.15 -1.72 0.00 0.00 179.24 178.36 1pgq h PHE 393 N 0.48 -0.30 -0.09 4.55 3.57 -1.93 0.49 116.94 123.70 1pgq h PHE 393 Ca 0.66 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 62.10 1pgq h PHE 393 Cb 1.42 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 40.28 1pgq h PHE 393 CO -0.01 -0.18 -0.14 0.74 -2.23 0.00 0.00 178.31 176.49 1pgq h PHE 394 N -0.27 0.32 -0.78 0.41 0.04 -1.68 0.58 116.94 115.55 1pgq h PHE 394 Ca -0.00 -0.11 0.17 0.00 2.80 0.00 0.00 57.97 60.83 1pgq h PHE 394 Cb 0.25 -0.06 -0.11 0.00 2.20 0.00 0.00 35.95 38.23 1pgq h PHE 394 CO -0.11 0.73 0.26 -0.22 -0.60 0.00 0.00 178.31 178.37 1pgq h LYS 395 N -0.19 0.34 0.11 1.51 3.64 -0.99 0.54 116.57 121.54 1pgq h LYS 395 Ca 0.01 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.10 1pgq h LYS 395 Cb 0.70 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1pgq h LYS 395 CO 0.03 0.23 -1.20 0.77 -2.27 0.00 0.00 179.45 177.01 1pgq h SER 396 N 0.35 0.53 -0.81 4.20 0.02 -0.84 -2.88 113.55 114.13 1pgq h SER 396 Ca 0.45 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1pgq h SER 396 Cb 0.76 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 1pgq h SER 396 CO -0.48 1.38 0.40 0.00 -1.14 0.00 0.00 176.83 176.99 1pgq h ALA 397 N 0.55 1.04 -0.22 3.77 0.00 0.52 -1.58 119.26 123.33 1pgq h ALA 397 Ca -0.14 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 1pgq h ALA 397 Cb 1.90 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1pgq h ALA 397 CO 0.21 0.59 -0.13 0.28 0.00 0.00 0.00 179.25 180.20 1pgq h VAL 398 N 1.14 1.31 -0.47 0.00 2.07 -1.08 -1.90 116.25 117.33 1pgq h VAL 398 Ca 0.28 -1.23 0.09 0.00 0.82 0.00 0.00 66.70 66.66 1pgq h VAL 398 Cb 0.10 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1pgq h VAL 398 CO -0.04 0.38 0.32 -0.08 0.02 0.00 0.00 177.57 178.17 1pgq h GLU 399 N 0.18 0.22 0.12 1.57 4.81 -1.23 0.79 114.58 121.05 1pgq h GLU 399 Ca 0.05 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 1pgq h GLU 399 Cb 0.64 -0.05 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1pgq h GLU 399 CO 0.04 0.15 -0.79 -0.91 -0.73 0.00 0.00 179.01 176.77 1pgq h ASN 400 N 0.23 0.48 0.95 1.04 2.35 -1.23 -3.33 115.58 116.07 1pgq h ASN 400 Ca 0.22 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 55.02 1pgq h ASN 400 Cb 0.56 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1pgq h ASN 400 CO -0.04 1.37 -0.09 0.00 -1.65 0.00 0.00 177.43 177.02 1pgq h GLN 402 N 0.00 -0.15 0.00 0.00 4.15 -0.98 -0.95 115.11 117.18 1pgq h GLN 402 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1pgq h GLN 402 Cb 0.59 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1pgq h GLN 402 CO 0.01 -0.10 0.00 -0.40 -1.93 0.00 0.00 178.83 176.41 1pgq n ASP 403 N -4.46 0.00 -0.02 -0.69 5.68 -1.26 -1.98 116.55 113.81 1pgq n ASP 403 Ca -0.01 0.47 -0.13 0.00 -0.50 0.00 0.00 54.79 54.62 1pgq n ASP 403 Cb 0.20 -0.49 -0.10 0.00 -1.14 0.00 0.00 41.12 39.60 1pgq n ASP 403 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1pgq h SER 404 N 0.00 0.04 -0.52 -1.12 0.02 -1.74 -1.14 113.55 109.10 1pgq h SER 404 Ca 0.00 -0.49 0.08 0.00 -0.84 0.00 0.00 61.79 60.55 1pgq h SER 404 Cb 0.42 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.88 1pgq h SER 404 CO 0.00 0.52 0.14 -0.25 -1.14 0.00 0.00 176.83 176.10 1pgq h TRP 405 N -0.44 0.23 -0.14 3.45 7.01 -0.97 0.19 115.95 125.29 1pgq h TRP 405 Ca 0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 1pgq h TRP 405 Cb 0.51 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1pgq h TRP 405 CO 0.09 0.03 0.02 0.00 -2.79 0.00 0.00 178.44 175.79 1pgq h ARG 406 N 0.29 0.24 -0.38 2.65 3.08 -1.44 -2.03 114.38 116.79 1pgq h ARG 406 Ca 0.26 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.26 1pgq h ARG 406 Cb 0.33 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1pgq h ARG 406 CO -0.31 0.44 0.26 -0.09 -1.07 0.00 0.00 179.97 179.19 1pgq h ARG 407 N 0.00 0.46 -0.15 0.04 2.43 -0.81 -0.48 114.38 115.87 1pgq h ARG 407 Ca 0.04 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1pgq h ARG 407 Cb 0.32 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1pgq h ARG 407 CO 0.00 0.31 -0.21 0.00 -1.51 0.00 0.00 179.97 178.56 1pgq h ALA 408 N 1.77 0.23 -0.16 2.80 0.00 -0.47 -2.87 119.26 120.55 1pgq h ALA 408 Ca 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1pgq h ALA 408 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1pgq h ALA 408 CO -0.03 0.17 0.04 0.82 0.00 0.00 0.00 179.25 180.25 1pgq h ILE 409 N 0.03 1.20 -0.29 0.00 2.04 -0.81 -1.57 117.51 118.10 1pgq h ILE 409 Ca 0.02 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.32 1pgq h ILE 409 Cb 0.77 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.09 1pgq h ILE 409 CO 0.05 0.19 -0.11 0.28 0.00 0.00 0.00 178.15 178.56 1pgq h SER 410 N 0.07 -0.38 -0.34 1.72 0.02 -1.18 -0.31 113.55 113.15 1pgq h SER 410 Ca 0.05 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1pgq h SER 410 Cb 0.25 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1pgq h SER 410 CO -0.00 -0.14 0.22 0.74 -1.14 0.00 0.00 176.83 176.51 1pgq h THR 411 N -0.05 1.09 -0.27 -2.27 2.02 -1.43 -1.26 112.91 110.73 1pgq h THR 411 Ca 0.15 -0.18 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1pgq h THR 411 Cb 0.28 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1pgq h THR 411 CO -0.33 0.09 -0.03 1.23 0.37 0.00 0.00 175.52 176.85 1pgq h GLY 412 N 0.45 0.24 0.51 2.16 0.00 -0.60 0.32 103.07 106.15 1pgq h GLY 412 Ca 0.12 0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.55 1pgq h GLY 412 CO -0.03 -0.08 -0.16 -2.08 0.00 0.00 0.00 176.54 174.20 1pgq h VAL 413 N 0.04 0.59 -0.96 4.60 2.07 -1.01 0.14 116.25 121.73 1pgq h VAL 413 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 1pgq h VAL 413 Cb 0.19 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1pgq h VAL 413 CO -0.25 0.00 0.63 1.56 0.02 0.00 0.00 177.57 179.53 1pgq h GLN 414 N -0.22 1.17 -0.00 1.57 1.08 -0.65 -2.75 115.11 115.30 1pgq h GLN 414 Ca 0.08 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1pgq h GLN 414 Cb 0.33 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1pgq h GLN 414 CO -0.21 0.77 -0.19 0.00 -0.95 0.00 0.00 178.83 178.25 1pgq n ALA 415 N -2.36 2.81 -1.40 3.87 0.00 0.05 -4.79 120.51 118.68 1pgq n ALA 415 Ca 0.13 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1pgq n ALA 415 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1pgq n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pgq n GLY 416 N 1.49 0.40 3.68 0.00 0.00 0.35 -4.89 105.19 106.23 1pgq n GLY 416 Ca 0.07 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 1pgq n GLY 416 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pgq s ILE 417 N -2.00 5.04 -0.08 -0.61 1.09 -0.30 -5.01 121.20 119.34 1pgq s ILE 417 Ca 0.00 1.21 -0.29 0.00 -1.10 0.00 0.00 60.65 60.46 1pgq s ILE 417 Cb 0.00 -3.95 -0.06 0.00 -1.06 0.00 0.00 42.46 37.39 1pgq s ILE 417 CO 0.00 0.15 1.85 -2.16 -0.10 0.00 0.00 174.94 174.69 1pgq s PRO 418 N 1.61 3.92 -0.43 2.79 0.04 -1.26 -4.44 135.00 137.22 1pgq s PRO 418 Ca 0.30 2.22 0.10 0.00 0.04 0.00 0.00 61.00 63.66 1pgq s PRO 418 Cb -0.16 -4.12 0.37 0.00 0.04 0.00 0.00 34.50 30.63 1pgq s PRO 418 CO 0.11 -1.17 0.88 -1.33 0.04 0.00 0.00 177.00 175.53 1pgq n MET 419 N 7.65 1.98 -0.16 4.56 2.81 -1.26 -4.89 117.12 127.81 1pgq n MET 419 Ca 0.21 -3.95 -0.12 0.00 -1.81 0.00 0.00 57.70 52.03 1pgq n MET 419 Cb 0.43 -1.86 -0.08 0.00 -0.71 0.00 0.00 33.22 31.00 1pgq n MET 419 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 1pgq h PRO 420 N 2.95 -0.33 -0.36 0.03 0.13 -1.93 -2.27 132.00 130.22 1pgq h PRO 420 Ca 0.10 0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1pgq h PRO 420 Cb 0.85 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1pgq h PRO 420 CO 0.64 -0.22 -0.15 0.00 -0.23 0.00 0.00 178.00 178.04 1pgq h PHE 422 N 0.59 0.92 0.04 0.00 -1.00 -1.87 -2.53 116.94 113.09 1pgq h PHE 422 Ca 0.10 -0.20 -0.16 0.00 2.81 0.00 0.00 57.97 60.53 1pgq h PHE 422 Cb 0.59 -0.23 0.01 0.00 3.61 0.00 0.00 35.95 39.94 1pgq h PHE 422 CO 0.03 0.93 -0.64 1.79 -1.61 0.00 0.00 178.31 178.80 1pgq h THR 423 N 0.73 1.46 -0.83 -1.55 1.35 -1.21 -2.98 112.91 109.88 1pgq h THR 423 Ca 0.11 -2.21 0.17 0.00 -0.55 0.00 0.00 66.41 63.94 1pgq h THR 423 Cb 0.69 2.79 -0.06 0.00 -1.73 0.00 0.00 68.15 69.83 1pgq h THR 423 CO 0.05 0.63 0.55 0.71 -0.25 0.00 0.00 175.52 177.22 1pgq h THR 424 N -0.21 0.74 -0.00 6.82 1.35 -1.25 -0.33 112.91 120.03 1pgq h THR 424 Ca -0.09 -0.14 -0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1pgq h THR 424 Cb 1.39 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1pgq h THR 424 CO 0.12 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.47 1pgq h ALA 425 N 1.62 0.00 -0.52 6.62 0.00 -1.46 0.21 119.26 125.74 1pgq h ALA 425 Ca 0.42 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1pgq h ALA 425 Cb 1.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1pgq h ALA 425 CO -0.15 -0.35 0.25 -0.07 0.00 0.00 0.00 179.25 178.92 1pgq h LEU 426 N -0.28 0.69 -0.69 0.00 3.38 -1.07 -1.09 115.31 116.25 1pgq h LEU 426 Ca 0.00 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1pgq h LEU 426 Cb 0.29 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1pgq h LEU 426 CO 0.00 0.63 0.44 0.28 0.09 0.00 0.00 178.44 179.88 1pgq h SER 427 N 0.69 0.73 -0.15 -0.43 0.02 -0.98 -0.91 113.55 112.52 1pgq h SER 427 Ca 0.18 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1pgq h SER 427 Cb 0.13 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1pgq h SER 427 CO -0.02 0.51 -0.01 0.15 -1.14 0.00 0.00 176.83 176.31 1pgq h PHE 428 N 0.87 0.31 -0.00 3.45 3.57 -0.34 -0.63 116.94 124.16 1pgq h PHE 428 Ca 0.27 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1pgq h PHE 428 Cb -0.01 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 1pgq h PHE 428 CO -0.04 0.52 -0.30 -0.92 -2.23 0.00 0.00 178.31 175.34 1pgq h TYR 429 N 0.00 -0.82 0.00 0.41 3.20 -0.73 0.54 116.97 119.57 1pgq h TYR 429 Ca 0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1pgq h TYR 429 Cb 0.41 0.36 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 1pgq h TYR 429 CO 0.04 -0.39 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.53 1pgq h ASP 430 N -0.45 0.00 0.25 -2.11 3.32 -1.21 -1.73 116.42 114.50 1pgq h ASP 430 Ca 0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1pgq h ASP 430 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1pgq h ASP 430 CO -0.25 0.20 -0.12 1.23 -1.72 0.00 0.00 179.24 178.58 1pgq h GLY 431 N 0.93 -0.36 1.05 2.75 0.00 0.06 -3.10 103.07 104.41 1pgq h GLY 431 Ca -0.00 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1pgq h GLY 431 CO 0.03 -0.13 0.23 -1.82 0.00 0.00 0.00 176.54 174.84 1pgq h TYR 432 N -0.66 1.18 -0.45 5.60 3.20 -0.76 -2.57 116.97 122.51 1pgq h TYR 432 Ca -0.03 -0.12 0.05 0.00 3.14 0.00 0.00 58.73 61.77 1pgq h TYR 432 Cb 0.46 -0.34 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 1pgq h TYR 432 CO 0.02 0.93 0.30 0.00 -1.64 0.00 0.00 178.16 177.77 1pgq h ARG 433 N 1.08 0.40 -5.90 1.82 3.08 -1.41 -3.43 114.38 110.02 1pgq h ARG 433 Ca 0.24 -0.02 -0.58 0.00 0.07 0.00 0.00 59.98 59.68 1pgq h ARG 433 Cb 0.31 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1pgq h ARG 433 CO -0.01 0.26 0.35 -1.01 -1.07 0.00 0.00 179.97 178.49 1pgq s HIS 434 N -5.38 3.41 -0.80 3.04 3.76 -0.97 -4.91 115.29 113.43 1pgq s HIS 434 Ca -0.08 1.20 0.25 0.00 -0.15 0.00 0.00 55.06 56.29 1pgq s HIS 434 Cb 0.18 -2.98 0.95 0.00 1.11 0.00 0.00 32.58 31.84 1pgq s HIS 434 CO 0.73 -0.23 1.78 0.00 -0.85 0.00 0.00 174.74 176.17 1pgq n ALA 435 N 5.20 2.12 -3.72 -1.40 0.00 -1.26 -4.58 120.51 116.88 1pgq n ALA 435 Ca 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1pgq n ALA 435 Cb 0.49 -1.43 -0.18 0.00 0.00 0.00 0.00 19.45 18.33 1pgq n ALA 435 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1pgq s MET 436 N -3.09 0.27 0.14 0.00 -2.45 -1.26 -5.14 119.30 107.76 1pgq s MET 436 Ca 0.10 0.23 0.10 0.00 -1.25 0.00 0.00 55.69 54.87 1pgq s MET 436 Cb 0.14 -0.72 -0.04 0.00 1.25 0.00 0.00 34.83 35.46 1pgq s MET 436 CO 0.50 -0.30 -0.25 -0.51 1.05 0.00 0.00 175.02 175.51 1pgq s LEU 437 N 1.98 2.34 0.00 4.11 1.43 -1.26 -5.03 118.68 122.25 1pgq s LEU 437 Ca 0.04 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1pgq s LEU 437 Cb -0.12 -1.12 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1pgq s LEU 437 CO -0.04 0.14 0.26 -0.81 0.23 0.00 0.00 176.35 176.13 1pgq n PRO 438 N 0.82 0.43 0.19 1.29 -0.04 -1.26 -3.76 135.00 132.67 1pgq n PRO 438 Ca -0.17 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1pgq n PRO 438 Cb 0.54 -1.23 0.58 0.00 -0.04 0.00 0.00 33.50 33.35 1pgq n PRO 438 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pgq h ALA 439 N 1.55 1.00 0.00 0.55 0.00 -2.01 -2.04 119.26 118.31 1pgq h ALA 439 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1pgq h ALA 439 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1pgq h ALA 439 CO 0.00 0.00 -0.40 -2.95 0.00 0.00 0.00 179.25 175.90 1pgq h ASN 440 N 0.00 0.00 -0.30 0.00 -1.07 -2.00 -2.13 115.58 110.08 1pgq h ASN 440 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 56.30 56.20 1pgq h ASN 440 Cb 0.41 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.65 1pgq h ASN 440 CO 0.00 0.40 -0.48 0.25 0.07 0.00 0.00 177.43 177.67 1pgq h LEU 441 N 0.00 0.95 -0.48 6.14 5.85 -1.70 0.10 115.31 126.17 1pgq h LEU 441 Ca -0.00 -0.51 0.10 0.00 0.84 0.00 0.00 57.88 58.30 1pgq h LEU 441 Cb 0.71 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 41.38 1pgq h LEU 441 CO 0.05 1.28 -0.11 0.40 -0.34 0.00 0.00 178.44 179.72 1pgq h ILE 442 N 0.64 0.52 -0.67 4.05 1.08 -1.54 0.22 117.51 121.82 1pgq h ILE 442 Ca 0.03 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.48 1pgq h ILE 442 Cb 1.08 0.52 -0.03 0.00 -3.07 0.00 0.00 36.82 35.32 1pgq h ILE 442 CO 0.11 0.00 0.35 1.56 -0.69 0.00 0.00 178.15 179.49 1pgq h GLN 443 N 0.01 0.95 -0.37 2.37 1.08 -1.00 0.05 115.11 118.20 1pgq h GLN 443 Ca 0.23 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1pgq h GLN 443 Cb 0.35 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1pgq h GLN 443 CO -0.49 0.73 0.04 0.00 -0.95 0.00 0.00 178.83 178.16 1pgq h ALA 444 N 1.17 0.49 -0.12 3.87 0.00 -0.16 -1.26 119.26 123.25 1pgq h ALA 444 Ca 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pgq h ALA 444 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1pgq h ALA 444 CO -0.04 0.21 0.07 1.96 0.00 0.00 0.00 179.25 181.46 1pgq h GLN 445 N 0.45 0.16 -0.68 0.00 4.20 -0.74 -1.29 115.11 117.21 1pgq h GLN 445 Ca 0.11 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1pgq h GLN 445 Cb 0.39 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 1pgq h GLN 445 CO 0.01 0.14 0.29 0.00 -0.67 0.00 0.00 178.83 178.61 1pgq h ARG 446 N 0.12 0.99 -0.16 1.46 3.08 -0.90 0.94 114.38 119.91 1pgq h ARG 446 Ca 0.04 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1pgq h ARG 446 Cb 0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1pgq h ARG 446 CO -0.01 0.79 -0.31 0.22 -1.07 0.00 0.00 179.97 179.60 1pgq h ASP 447 N 0.98 0.32 0.00 7.04 3.58 -0.80 -0.69 116.42 126.85 1pgq h ASP 447 Ca 0.23 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1pgq h ASP 447 Cb 0.16 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1pgq h ASP 447 CO -0.02 0.62 0.00 0.00 -2.88 0.00 0.00 179.24 176.96 1pgq n TYR 448 N -4.10 0.00 0.25 0.28 4.19 -0.53 -2.39 117.16 114.85 1pgq n TYR 448 Ca -0.01 0.00 0.12 0.00 3.31 0.00 0.00 57.90 61.32 1pgq n TYR 448 Cb 0.42 -0.39 0.59 0.00 0.49 0.00 0.00 39.34 40.45 1pgq n TYR 448 CO 0.00 0.00 0.00 0.27 0.91 0.00 0.00 176.86 178.04 1pgq h PHE 449 N 0.00 0.00 0.00 2.98 -5.15 -0.97 -3.35 116.94 110.45 1pgq h PHE 449 Ca 0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.69 1pgq h PHE 449 Cb 0.00 0.00 -0.17 0.00 0.22 0.00 0.00 35.95 36.00 1pgq h PHE 449 CO 0.08 0.15 -0.69 0.41 -2.00 0.00 0.00 178.31 176.26 1pgq n GLY 450 N -0.10 1.53 2.38 6.09 0.00 -0.28 -5.02 105.19 109.78 1pgq n GLY 450 Ca -0.00 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 1pgq n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgq n ALA 451 N -0.02 -0.67 0.64 4.61 0.00 -1.01 -4.87 120.51 119.20 1pgq n ALA 451 Ca 0.06 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.75 1pgq n ALA 451 Cb 0.89 -1.62 0.46 0.00 0.00 0.00 0.00 19.45 19.18 1pgq n ALA 451 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1pgq n HIS 452 N -3.29 0.51 -0.56 0.00 8.25 -1.09 -4.91 115.22 114.14 1pgq n HIS 452 Ca -0.16 0.17 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 1pgq n HIS 452 Cb 0.60 -0.78 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 1pgq n HIS 452 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1pgq n THR 453 N -1.94 -0.20 -3.63 1.59 -2.24 -1.26 -4.93 114.28 101.67 1pgq n THR 453 Ca 0.05 0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 62.01 1pgq n THR 453 Cb 0.31 -0.48 -0.04 0.00 -2.10 0.00 0.00 70.33 68.03 1pgq n THR 453 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1pgq s TYR 454 N -3.04 -0.22 0.13 4.78 1.13 -0.32 -4.67 117.35 115.14 1pgq s TYR 454 Ca 0.00 -0.09 0.04 0.00 -1.41 0.00 0.00 57.07 55.61 1pgq s TYR 454 Cb 0.00 0.33 -0.04 0.00 -1.10 0.00 0.00 41.96 41.15 1pgq s TYR 454 CO 0.00 -0.78 0.14 -1.21 -2.51 0.00 0.00 175.55 171.19 1pgq s GLU 455 N -3.82 3.00 0.40 -3.49 2.02 -1.26 -0.94 118.70 114.61 1pgq s GLU 455 Ca 0.05 -0.74 -0.10 0.00 0.02 0.00 0.00 54.97 54.19 1pgq s GLU 455 Cb 0.01 -2.74 -0.06 0.00 0.10 0.00 0.00 34.13 31.44 1pgq s GLU 455 CO -0.10 0.53 0.76 -0.51 0.02 0.00 0.00 175.26 175.96 1pgq s LEU 456 N -2.83 3.83 0.17 1.80 2.01 -1.25 -4.99 118.68 117.42 1pgq s LEU 456 Ca 0.31 1.10 -0.14 0.00 0.01 0.00 0.00 54.13 55.42 1pgq s LEU 456 Cb -0.11 -3.98 0.06 0.00 0.01 0.00 0.00 46.19 42.17 1pgq s LEU 456 CO 0.24 -0.40 1.79 0.25 1.01 0.00 0.00 176.35 179.24 1pgq h LEU 457 N 1.23 0.66 -9.69 1.79 5.85 -1.99 -3.26 115.31 109.91 1pgq h LEU 457 Ca -0.47 -0.08 -0.61 0.00 0.84 0.00 0.00 57.88 57.56 1pgq h LEU 457 Cb 1.19 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1pgq h LEU 457 CO 0.64 0.55 -0.22 0.00 -0.34 0.00 0.00 178.44 179.06 1pgq s ALA 458 N -5.92 3.71 -0.16 1.25 0.00 -1.26 -4.37 121.76 115.01 1pgq s ALA 458 Ca -0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 51.96 51.57 1pgq s ALA 458 Cb 0.12 -2.35 -0.00 0.00 0.00 0.00 0.00 23.12 20.89 1pgq s ALA 458 CO 0.76 0.50 0.14 1.63 0.00 0.00 0.00 175.76 178.78 1pgq n LYS 459 N 1.73 -0.65 -1.74 0.00 4.76 -1.26 -5.06 118.16 115.94 1pgq n LYS 459 Ca -0.14 0.12 -0.40 0.00 -2.87 0.00 0.00 58.31 55.03 1pgq n LYS 459 Cb 0.52 -2.58 0.03 0.00 -1.84 0.00 0.00 35.03 31.16 1pgq n LYS 459 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1pgq n PRO 460 N -1.58 1.96 0.00 1.97 -0.02 -1.23 -3.76 135.00 132.34 1pgq n PRO 460 Ca -0.03 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1pgq n PRO 460 Cb 0.52 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1pgq n PRO 460 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pgq n GLY 461 N 0.71 3.11 3.73 -1.23 0.00 -1.26 -5.05 105.19 105.20 1pgq n GLY 461 Ca 0.07 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 1pgq n GLY 461 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pgq s GLN 462 N 0.00 4.42 -0.16 1.61 -0.21 -1.25 -5.04 119.66 119.02 1pgq s GLN 462 Ca 0.00 0.86 -0.04 0.00 0.02 0.00 0.00 55.36 56.19 1pgq s GLN 462 Cb 0.00 -3.41 -0.03 0.00 1.00 0.00 0.00 33.01 30.58 1pgq s GLN 462 CO 0.00 0.18 -0.02 -0.06 -2.12 0.00 0.00 175.29 173.27 1pgq s PHE 463 N 0.40 3.05 0.12 0.91 0.40 -1.26 -4.24 117.98 117.36 1pgq s PHE 463 Ca 0.36 -0.29 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 1pgq s PHE 463 Cb -0.18 -1.99 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1pgq s PHE 463 CO 0.18 -0.05 0.01 0.42 0.70 0.00 0.00 175.22 176.49 1pgq s ILE 464 N 0.45 3.95 -0.21 0.64 -1.09 -0.12 -4.86 121.20 119.97 1pgq s ILE 464 Ca -0.03 -1.14 -0.01 0.00 -2.23 0.00 0.00 60.65 57.24 1pgq s ILE 464 Cb -0.14 -2.93 0.06 0.00 -1.58 0.00 0.00 42.46 37.87 1pgq s ILE 464 CO 0.03 0.03 -0.01 -2.28 -1.23 0.00 0.00 174.94 171.47 1pgq s HIS 465 N -1.48 1.65 0.23 3.97 5.65 -1.26 -1.18 115.29 122.87 1pgq s HIS 465 Ca 0.27 -1.24 -0.22 0.00 0.25 0.00 0.00 55.06 54.11 1pgq s HIS 465 Cb -0.11 -1.28 -0.08 0.00 -1.18 0.00 0.00 32.58 29.93 1pgq s HIS 465 CO 0.19 -0.68 0.78 0.99 -0.65 0.00 0.00 174.74 175.37 1pgq s THR 466 N 1.65 4.46 -0.50 0.89 2.01 -1.26 -5.03 115.64 117.84 1pgq s THR 466 Ca -0.03 1.48 -0.18 0.00 0.31 0.00 0.00 61.69 63.27 1pgq s THR 466 Cb -0.18 -3.95 0.07 0.00 0.01 0.00 0.00 72.50 68.45 1pgq s THR 466 CO -0.07 0.27 0.56 0.21 -0.69 0.00 0.00 174.62 174.90 1pgq s ASN 467 N -1.53 6.20 -0.02 3.53 2.47 -1.26 -4.82 114.94 119.51 1pgq s ASN 467 Ca 0.43 -1.10 -0.00 0.00 0.42 0.00 0.00 52.86 52.60 1pgq s ASN 467 Cb -0.18 -2.26 -0.00 0.00 -1.45 0.00 0.00 41.25 37.36 1pgq s ASN 467 CO 0.23 -0.84 -0.01 -0.50 -3.72 0.00 0.00 177.10 172.26 1pgq h TRP 468 N 8.94 0.00 0.00 0.43 4.06 -1.94 -3.44 115.95 124.00 1pgq h TRP 468 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1pgq h TRP 468 Cb 1.10 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.26 1pgq h TRP 468 CO 0.72 0.00 0.00 2.41 -3.56 0.00 0.00 178.44 178.01 1pgq n THR 469 N -2.47 0.00 -4.41 1.49 -1.04 -1.26 -3.28 114.28 103.30 1pgq n THR 469 Ca -0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 1pgq n THR 469 Cb 0.01 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.37 1pgq n THR 469 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1pgq s GLY 470 N 0.00 0.57 -1.13 3.41 0.00 -1.26 -5.04 107.32 103.87 1pgq s GLY 470 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 1pgq s GLY 470 CO 0.00 -0.04 1.60 1.57 0.00 0.00 0.00 173.10 176.23 1pgq n HIS 471 N 3.39 2.39 0.00 1.90 -0.00 -1.21 -4.84 115.22 116.86 1pgq n HIS 471 Ca -0.19 -2.61 0.00 0.00 0.46 0.00 0.00 57.72 55.37 1pgq n HIS 471 Cb 0.54 -1.42 0.00 0.00 -0.12 0.00 0.00 29.99 28.99 1pgq n HIS 471 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1pgq n GLY 472 N 1.60 0.23 0.00 1.57 0.00 -1.26 -5.22 105.19 102.11 1pgq n GLY 472 Ca 0.30 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1pgq n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93