#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pgj s MET 2 N 0.00 4.50 0.16 4.33 -1.94 0.16 -4.81 119.30 121.71 1pgj s MET 2 Ca 0.00 1.96 -0.04 0.00 -1.71 0.00 0.00 55.69 55.90 1pgj s MET 2 Cb 0.00 -3.17 -0.00 0.00 2.01 0.00 0.00 34.83 33.67 1pgj s MET 2 CO 0.00 -0.01 1.39 -0.44 -0.01 0.00 0.00 175.02 175.96 1pgj h ASP 3 N 4.12 0.60 -5.04 3.03 3.32 -0.45 -2.07 116.42 119.93 1pgj h ASP 3 Ca -0.47 -0.40 -0.09 0.00 0.02 0.00 0.00 57.03 56.09 1pgj h ASP 3 Cb 1.22 -0.18 -0.17 0.00 0.22 0.00 0.00 39.33 40.42 1pgj h ASP 3 CO 0.69 1.16 -0.21 0.54 -1.72 0.00 0.00 179.24 179.69 1pgj s VAL 4 N -3.63 0.07 -0.04 -1.35 0.11 -1.02 -4.73 120.40 109.82 1pgj s VAL 4 Ca -0.07 -0.59 0.06 0.00 -2.93 0.00 0.00 61.98 58.45 1pgj s VAL 4 Cb 0.10 -0.90 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 1pgj s VAL 4 CO 0.86 -0.32 -0.20 -0.83 -3.33 0.00 0.00 175.10 171.27 1pgj s GLY 5 N -1.94 1.39 -0.15 6.54 0.00 -0.72 -0.31 107.32 112.14 1pgj s GLY 5 Ca -0.06 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.63 1pgj s GLY 5 CO -0.02 -0.84 -0.21 0.14 0.00 0.00 0.00 173.10 172.17 1pgj s VAL 6 N -0.64 2.00 -0.25 1.40 1.01 0.27 -2.16 120.40 122.03 1pgj s VAL 6 Ca 0.10 -0.93 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 1pgj s VAL 6 Cb -0.10 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 1pgj s VAL 6 CO -0.00 0.54 0.08 -0.69 0.00 0.00 0.00 175.10 175.03 1pgj s VAL 7 N 0.97 4.40 0.00 2.92 1.01 -0.12 -1.14 120.40 128.43 1pgj s VAL 7 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1pgj s VAL 7 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.17 1pgj s VAL 7 CO -0.05 0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1pgj n GLY 8 N 4.91 0.59 2.73 4.51 0.00 0.15 0.37 105.19 118.45 1pgj n GLY 8 Ca -0.16 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 1pgj n GLY 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pgj n LEU 9 N 0.00 7.16 0.00 0.99 4.77 -1.26 -3.94 117.00 124.72 1pgj n LEU 9 Ca 0.00 -4.78 0.00 0.00 -0.03 0.00 0.00 56.01 51.20 1pgj n LEU 9 Cb 0.00 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 1pgj n LEU 9 CO 0.00 1.66 0.00 0.61 -1.33 0.00 0.00 177.39 178.33 1pgj n GLY 10 N 2.27 1.60 0.07 -0.72 0.00 -1.26 -4.62 105.19 102.53 1pgj n GLY 10 Ca 0.47 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 1pgj n GLY 10 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1pgj h VAL 11 N 0.00 1.16 0.09 1.61 -1.51 -1.94 -3.23 116.25 112.43 1pgj h VAL 11 Ca 0.00 -0.48 -0.00 0.00 -1.23 0.00 0.00 66.70 64.99 1pgj h VAL 11 Cb 0.00 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1pgj h VAL 11 CO 0.00 0.14 -0.04 0.24 -1.23 0.00 0.00 177.57 176.67 1pgj h MET 12 N -0.06 -0.11 -0.94 5.19 2.86 -1.92 -3.33 114.93 116.62 1pgj h MET 12 Ca 0.02 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 57.89 1pgj h MET 12 Cb 0.19 0.03 -0.18 0.00 0.06 0.00 0.00 31.60 31.70 1pgj h MET 12 CO -0.00 0.06 -0.12 0.78 1.06 0.00 0.00 176.91 178.69 1pgj h GLY 13 N -1.02 0.89 0.84 8.32 0.00 -1.70 0.16 103.07 110.56 1pgj h GLY 13 Ca -0.01 0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1pgj h GLY 13 CO 0.02 -0.40 -0.16 0.00 0.00 0.00 0.00 176.54 176.00 1pgj h ALA 14 N 1.93 0.32 -0.31 3.60 0.00 -1.74 -2.32 119.26 120.74 1pgj h ALA 14 Ca 0.50 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1pgj h ALA 14 Cb 0.88 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1pgj h ALA 14 CO -0.92 0.21 0.12 -0.91 0.00 0.00 0.00 179.25 177.74 1pgj h ASN 15 N 0.19 0.43 0.46 0.00 2.35 -1.44 -2.43 115.58 115.14 1pgj h ASN 15 Ca 0.04 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1pgj h ASN 15 Cb 0.68 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1pgj h ASN 15 CO 0.04 0.49 -0.44 0.25 -1.65 0.00 0.00 177.43 176.13 1pgj h LEU 16 N 0.34 -1.18 -0.82 1.61 5.85 -0.77 -0.93 115.31 119.41 1pgj h LEU 16 Ca 0.10 0.10 0.12 0.00 0.84 0.00 0.00 57.88 59.04 1pgj h LEU 16 Cb 0.20 0.39 -0.13 0.00 0.37 0.00 0.00 40.66 41.49 1pgj h LEU 16 CO -0.01 -0.60 -0.41 0.00 -0.34 0.00 0.00 178.44 177.08 1pgj h ALA 17 N -0.62 -0.06 -0.11 1.25 0.00 -1.30 -0.55 119.26 117.86 1pgj h ALA 17 Ca -0.05 0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1pgj h ALA 17 Cb 0.79 1.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1pgj h ALA 17 CO -0.05 -0.72 -0.42 -0.07 0.00 0.00 0.00 179.25 178.00 1pgj h LEU 18 N -0.08 -1.30 -0.78 0.00 4.07 -1.08 0.70 115.31 116.84 1pgj h LEU 18 Ca 0.27 0.17 0.10 0.00 0.08 0.00 0.00 57.88 58.50 1pgj h LEU 18 Cb 0.56 0.53 -0.12 0.00 1.08 0.00 0.00 40.66 42.71 1pgj h LEU 18 CO -0.86 -0.43 -0.46 -1.13 -1.08 0.00 0.00 178.44 174.48 1pgj h ASN 19 N -0.50 -1.64 0.15 -0.43 -0.73 0.24 0.62 115.58 113.30 1pgj h ASN 19 Ca 0.07 0.28 -0.06 0.00 1.87 0.00 0.00 56.30 58.46 1pgj h ASN 19 Cb 0.63 0.77 -0.01 0.00 0.27 0.00 0.00 38.32 39.97 1pgj h ASN 19 CO -0.39 -0.30 -0.24 0.40 -0.37 0.00 0.00 177.43 176.54 1pgj h ILE 20 N -0.12 1.21 -0.07 2.57 2.04 -0.15 -1.32 117.51 121.67 1pgj h ILE 20 Ca 0.22 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.07 1pgj h ILE 20 Cb 0.54 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1pgj h ILE 20 CO -0.82 0.30 0.00 0.00 0.00 0.00 0.00 178.15 177.63 1pgj h ALA 21 N 1.61 0.09 0.00 1.87 0.00 0.54 -2.75 119.26 120.62 1pgj h ALA 21 Ca 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1pgj h ALA 21 Cb 0.51 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 1pgj h ALA 21 CO 0.04 -0.24 -0.05 1.49 0.00 0.00 0.00 179.25 180.49 1pgj h GLU 22 N -0.17 0.00 0.00 0.00 4.81 0.33 0.61 114.58 120.16 1pgj h GLU 22 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1pgj h GLU 22 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1pgj h GLU 22 CO 0.00 0.05 0.00 1.63 -0.73 0.00 0.00 179.01 179.96 1pgj n LYS 23 N -3.63 0.61 -0.11 1.92 4.76 -0.54 -4.91 118.16 116.26 1pgj n LYS 23 Ca -0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1pgj n LYS 23 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 1pgj n LYS 23 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1pgj n GLY 24 N 0.99 0.69 3.86 0.72 0.00 0.21 -5.08 105.19 106.58 1pgj n GLY 24 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1pgj n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pgj s PHE 25 N -2.14 3.61 -0.26 1.61 0.40 -1.06 -5.03 117.98 115.10 1pgj s PHE 25 Ca 0.00 0.82 -0.27 0.00 -0.60 0.00 0.00 56.93 56.88 1pgj s PHE 25 Cb 0.00 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.36 1pgj s PHE 25 CO 0.00 0.54 0.95 0.15 0.70 0.00 0.00 175.22 177.56 1pgj s LYS 26 N -1.78 4.17 -0.22 0.44 1.02 -1.26 -4.25 119.74 117.86 1pgj s LYS 26 Ca 0.31 1.09 0.02 0.00 0.02 0.00 0.00 55.97 57.41 1pgj s LYS 26 Cb -0.14 -3.67 0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1pgj s LYS 26 CO 0.17 -0.64 -0.15 0.14 -0.92 0.00 0.00 175.35 173.95 1pgj s VAL 27 N 3.12 2.16 0.31 3.17 -7.23 0.16 0.31 120.40 122.41 1pgj s VAL 27 Ca 0.40 -1.22 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 1pgj s VAL 27 Cb -0.15 -2.07 -0.10 0.00 0.56 0.00 0.00 36.38 34.63 1pgj s VAL 27 CO 0.09 0.29 1.18 0.00 -0.31 0.00 0.00 175.10 176.35 1pgj s ALA 28 N 1.22 3.41 0.20 1.32 0.00 0.58 -2.70 121.76 125.78 1pgj s ALA 28 Ca -0.01 1.04 0.10 0.00 0.00 0.00 0.00 51.96 53.09 1pgj s ALA 28 Cb -0.16 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 1pgj s ALA 28 CO -0.09 -0.38 -0.21 0.54 0.00 0.00 0.00 175.76 175.62 1pgj s VAL 29 N -1.19 2.18 -0.23 0.00 0.11 0.25 -0.56 120.40 120.95 1pgj s VAL 29 Ca 0.48 -2.05 -0.16 0.00 -2.93 0.00 0.00 61.98 57.31 1pgj s VAL 29 Cb -0.35 -2.05 0.07 0.00 -1.53 0.00 0.00 36.38 32.52 1pgj s VAL 29 CO 0.45 -0.23 0.59 0.12 -3.33 0.00 0.00 175.10 172.70 1pgj s PHE 30 N -1.94 -0.81 0.16 1.54 5.36 -0.30 -2.71 117.98 119.29 1pgj s PHE 30 Ca 0.20 1.74 0.05 0.00 -0.96 0.00 0.00 56.93 57.97 1pgj s PHE 30 Cb -0.07 0.40 -0.04 0.00 -0.34 0.00 0.00 43.02 42.97 1pgj s PHE 30 CO 0.09 -0.41 -0.12 1.21 -1.46 0.00 0.00 175.22 174.54 1pgj s ASN 31 N 1.12 2.01 0.04 6.13 2.47 -1.26 0.30 114.94 125.75 1pgj s ASN 31 Ca -0.06 -0.98 -0.31 0.00 0.42 0.00 0.00 52.86 51.92 1pgj s ASN 31 Cb -0.06 -0.05 -0.18 0.00 -1.45 0.00 0.00 41.25 39.52 1pgj s ASN 31 CO -0.11 -0.26 1.38 0.03 -3.72 0.00 0.00 177.10 174.41 1pgj h ARG 32 N 2.83 -0.96 -5.41 0.43 -0.00 -1.99 -3.36 114.38 105.92 1pgj h ARG 32 Ca -0.37 0.07 -0.63 0.00 -0.50 0.00 0.00 59.98 58.54 1pgj h ARG 32 Cb 1.20 0.22 -0.15 0.00 0.00 0.00 0.00 29.97 31.24 1pgj h ARG 32 CO 0.61 -0.62 0.52 0.99 0.00 0.00 0.00 179.97 181.47 1pgj s THR 33 N -5.38 4.35 0.45 2.04 2.01 -1.26 -4.90 115.64 112.95 1pgj s THR 33 Ca -0.17 -0.38 0.26 0.00 0.31 0.00 0.00 61.69 61.71 1pgj s THR 33 Cb 0.02 -4.67 0.46 0.00 0.01 0.00 0.00 72.50 68.32 1pgj s THR 33 CO 0.53 -1.43 1.75 0.22 -0.69 0.00 0.00 174.62 175.01 1pgj h TYR 34 N 9.54 0.45 -0.61 4.92 3.20 -1.93 -1.58 116.97 130.96 1pgj h TYR 34 Ca -0.29 0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.72 1pgj h TYR 34 Cb 1.07 -0.13 -0.12 0.00 1.54 0.00 0.00 36.73 39.10 1pgj h TYR 34 CO 0.96 0.00 -0.17 0.66 -1.64 0.00 0.00 178.16 177.97 1pgj h SER 35 N 0.23 -0.64 -0.88 -2.11 4.64 -1.94 0.56 113.55 113.41 1pgj h SER 35 Ca 0.63 0.19 0.11 0.00 -0.47 0.00 0.00 61.79 62.24 1pgj h SER 35 Cb 1.91 0.40 -0.08 0.00 -0.31 0.00 0.00 62.40 64.32 1pgj h SER 35 CO -0.23 -0.22 0.51 0.50 -0.87 0.00 0.00 176.83 176.52 1pgj h LYS 36 N -0.02 0.81 -0.98 4.77 3.64 -1.70 0.19 116.57 123.27 1pgj h LYS 36 Ca 0.29 -0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.75 1pgj h LYS 36 Cb 0.46 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.02 1pgj h LYS 36 CO -0.64 0.54 0.62 0.77 -2.27 0.00 0.00 179.45 178.47 1pgj h SER 37 N 0.83 0.87 0.81 4.20 0.02 -0.97 0.21 113.55 119.52 1pgj h SER 37 Ca 0.43 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.39 1pgj h SER 37 Cb 0.42 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 62.85 1pgj h SER 37 CO -0.26 0.45 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.16 1pgj h GLU 38 N 0.93 -1.04 -1.01 3.45 4.39 -0.23 0.50 114.58 121.57 1pgj h GLU 38 Ca 0.49 0.07 0.24 0.00 0.34 0.00 0.00 59.36 60.50 1pgj h GLU 38 Cb 0.54 0.24 -0.12 0.00 -0.10 0.00 0.00 28.75 29.31 1pgj h GLU 38 CO -0.25 -0.70 0.61 1.49 -1.16 0.00 0.00 179.01 179.00 1pgj h GLU 39 N -1.21 0.57 0.90 2.33 4.81 -0.70 0.15 114.58 121.43 1pgj h GLU 39 Ca -0.11 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1pgj h GLU 39 Cb 0.83 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.09 1pgj h GLU 39 CO 0.18 0.38 -0.43 0.35 -0.73 0.00 0.00 179.01 178.76 1pgj h PHE 40 N 0.59 -1.12 -0.86 0.92 3.57 -0.33 -1.59 116.94 118.12 1pgj h PHE 40 Ca 0.63 -0.03 0.20 0.00 3.53 0.00 0.00 57.97 62.30 1pgj h PHE 40 Cb 1.21 0.37 -0.06 0.00 2.79 0.00 0.00 35.95 40.25 1pgj h PHE 40 CO -0.01 -0.69 0.58 0.52 -2.23 0.00 0.00 178.31 176.48 1pgj h MET 41 N -1.29 0.36 0.02 1.11 2.86 0.29 -2.72 114.93 115.56 1pgj h MET 41 Ca -0.12 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1pgj h MET 41 Cb 0.92 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1pgj h MET 41 CO 0.20 0.24 -0.01 -0.22 1.06 0.00 0.00 176.91 178.18 1pgj h LYS 42 N 0.37 -0.02 0.00 1.72 3.64 -0.37 0.11 116.57 122.02 1pgj h LYS 42 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1pgj h LYS 42 Cb 1.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1pgj h LYS 42 CO -0.15 -0.02 0.35 0.00 -2.27 0.00 0.00 179.45 177.37 1pgj h ALA 43 N -1.99 1.28 0.00 5.00 0.00 -1.09 0.11 119.26 122.58 1pgj h ALA 43 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pgj h ALA 43 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1pgj h ALA 43 CO 0.00 -0.28 -0.01 0.09 0.00 0.00 0.00 179.25 179.05 1pgj n ASN 44 N -2.33 2.22 -0.18 0.00 3.02 -1.04 -4.72 115.26 112.22 1pgj n ASN 44 Ca -0.01 -2.89 -0.07 0.00 -0.03 0.00 0.00 54.58 51.58 1pgj n ASN 44 Cb 0.38 -0.36 0.02 0.00 -0.61 0.00 0.00 39.78 39.21 1pgj n ASN 44 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pgj h ALA 45 N 0.00 0.67 0.00 5.41 0.00 0.20 -3.04 119.26 122.49 1pgj h ALA 45 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1pgj h ALA 45 Cb 0.94 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1pgj h ALA 45 CO 0.00 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1pgj n SER 46 N -4.68 0.76 -4.55 0.00 3.41 -1.26 -4.74 113.62 102.56 1pgj n SER 46 Ca 0.03 0.61 -0.40 0.00 -0.26 0.00 0.00 58.87 58.85 1pgj n SER 46 Cb 0.05 -0.80 0.02 0.00 -0.26 0.00 0.00 64.21 63.21 1pgj n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pgj n ALA 47 N -1.78 -0.47 0.31 7.33 0.00 -1.15 -4.84 120.51 119.91 1pgj n ALA 47 Ca 0.04 0.14 0.18 0.00 0.00 0.00 0.00 53.44 53.81 1pgj n ALA 47 Cb 0.35 -1.97 0.99 0.00 0.00 0.00 0.00 19.45 18.82 1pgj n ALA 47 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pgj h PRO 48 N 1.00 0.00 -0.32 0.00 0.11 -1.91 -2.81 132.00 128.06 1pgj h PRO 48 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1pgj h PRO 48 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1pgj h PRO 48 CO 0.53 0.02 0.00 1.97 -0.21 0.00 0.00 178.00 180.32 1pgj n PHE 49 N -3.37 0.99 0.04 0.65 1.16 -1.26 -4.66 117.46 111.01 1pgj n PHE 49 Ca -0.02 -0.79 0.00 0.00 -1.87 0.00 0.00 57.45 54.77 1pgj n PHE 49 Cb 0.14 -0.28 0.02 0.00 -1.61 0.00 0.00 39.48 37.75 1pgj n PHE 49 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1pgj n ALA 50 N -0.16 1.18 0.62 1.98 0.00 -1.06 -0.52 120.51 122.56 1pgj n ALA 50 Ca 0.20 -0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1pgj n ALA 50 Cb 0.84 -1.01 0.33 0.00 0.00 0.00 0.00 19.45 19.60 1pgj n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pgj n GLY 51 N -1.28 -1.60 0.85 0.00 0.00 -1.26 -3.17 105.19 98.73 1pgj n GLY 51 Ca 0.00 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.03 1pgj n GLY 51 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pgj n ASN 52 N -2.18 2.56 -4.18 1.61 3.02 0.33 -4.78 115.26 111.63 1pgj n ASN 52 Ca 0.05 -1.85 -0.40 0.00 -0.03 0.00 0.00 54.58 52.35 1pgj n ASN 52 Cb 0.43 -0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.37 1pgj n ASN 52 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pgj s LEU 53 N -1.61 5.68 -0.42 3.41 1.43 -1.19 -0.66 118.68 125.32 1pgj s LEU 53 Ca 0.35 -2.36 -0.15 0.00 -1.03 0.00 0.00 54.13 50.94 1pgj s LEU 53 Cb 0.20 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.47 1pgj s LEU 53 CO 0.29 -0.55 0.33 -0.75 0.23 0.00 0.00 176.35 175.90 1pgj s LYS 54 N 0.68 2.99 0.31 1.70 2.20 -1.10 -5.01 119.74 121.50 1pgj s LYS 54 Ca 0.12 -1.02 -0.17 0.00 -0.36 0.00 0.00 55.97 54.54 1pgj s LYS 54 Cb -0.21 -3.99 -0.09 0.00 -1.51 0.00 0.00 37.83 32.02 1pgj s LYS 54 CO -0.03 -0.79 0.76 0.00 -0.36 0.00 0.00 175.35 174.93 1pgj s ALA 55 N 1.73 3.31 0.19 3.13 0.00 -1.26 -0.59 121.76 128.28 1pgj s ALA 55 Ca 0.06 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1pgj s ALA 55 Cb -0.19 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 1pgj s ALA 55 CO 0.10 0.31 -0.06 -0.06 0.00 0.00 0.00 175.76 176.04 1pgj s PHE 56 N -1.87 1.45 -0.22 0.00 0.40 -1.10 -4.88 117.98 111.75 1pgj s PHE 56 Ca 0.52 -0.81 -0.16 0.00 -0.60 0.00 0.00 56.93 55.88 1pgj s PHE 56 Cb -0.12 -0.78 -0.09 0.00 0.51 0.00 0.00 43.02 42.54 1pgj s PHE 56 CO 0.18 0.06 -0.29 -0.85 0.70 0.00 0.00 175.22 175.02 1pgj n GLU 57 N -0.32 0.55 -4.82 0.44 0.00 -1.26 -4.72 120.64 110.51 1pgj n GLU 57 Ca -0.08 0.29 -0.31 0.00 0.00 0.00 0.00 57.16 57.07 1pgj n GLU 57 Cb 0.62 -1.51 -0.14 0.00 0.00 0.00 0.00 31.44 30.41 1pgj n GLU 57 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 1pgj s THR 58 N -2.63 2.51 0.19 3.84 -4.23 -1.26 -4.96 115.64 109.09 1pgj s THR 58 Ca -0.32 -1.22 -0.12 0.00 -1.18 0.00 0.00 61.69 58.85 1pgj s THR 58 Cb 0.08 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 72.01 1pgj s THR 58 CO 0.45 0.39 1.75 0.24 -0.54 0.00 0.00 174.62 176.91 1pgj h MET 59 N 4.77 0.37 -0.12 3.99 2.86 -1.98 -0.84 114.93 123.98 1pgj h MET 59 Ca -0.47 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.18 1pgj h MET 59 Cb 1.15 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.72 1pgj h MET 59 CO 0.46 0.25 0.11 1.05 1.06 0.00 0.00 176.91 179.84 1pgj h GLU 60 N 0.38 0.00 0.18 1.72 9.09 -1.96 0.35 114.58 124.35 1pgj h GLU 60 Ca 0.25 0.00 -0.32 0.00 0.05 0.00 0.00 59.36 59.33 1pgj h GLU 60 Cb 0.26 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.37 1pgj h GLU 60 CO -0.24 0.00 -1.58 0.00 0.05 0.00 0.00 179.01 177.24 1pgj h ALA 61 N 1.89 0.10 -0.95 1.06 0.00 -1.62 -3.24 119.26 116.50 1pgj h ALA 61 Ca 0.06 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1pgj h ALA 61 Cb 0.28 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1pgj h ALA 61 CO -0.00 0.89 0.61 0.35 0.00 0.00 0.00 179.25 181.10 1pgj h PHE 62 N -0.01 1.21 0.00 0.00 3.04 -0.32 -2.58 116.94 118.29 1pgj h PHE 62 Ca -0.31 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 61.58 1pgj h PHE 62 Cb 2.01 -0.41 -0.01 0.00 2.56 0.00 0.00 35.95 40.10 1pgj h PHE 62 CO 0.12 0.78 -0.35 0.00 -2.02 0.00 0.00 178.31 176.83 1pgj h ALA 63 N 1.33 1.07 0.00 2.41 0.00 -0.44 -3.02 119.26 120.61 1pgj h ALA 63 Ca 0.34 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1pgj h ALA 63 Cb -0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1pgj h ALA 63 CO -0.07 0.44 -0.52 0.00 0.00 0.00 0.00 179.25 179.10 1pgj h ALA 64 N 1.65 0.74 0.00 0.00 0.00 -1.48 -3.29 119.26 116.87 1pgj h ALA 64 Ca -0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1pgj h ALA 64 Cb 0.82 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1pgj h ALA 64 CO 0.05 0.44 -0.20 0.66 0.00 0.00 0.00 179.25 180.20 1pgj h SER 65 N 0.00 0.00 -3.57 0.00 4.64 -1.39 -3.45 113.55 109.79 1pgj h SER 65 Ca -0.02 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.78 1pgj h SER 65 Cb 1.28 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 1pgj h SER 65 CO 0.04 0.20 0.38 -0.76 -0.87 0.00 0.00 176.83 175.82 1pgj s LEU 66 N -6.88 4.50 -0.00 5.97 1.43 -1.24 0.41 118.68 122.87 1pgj s LEU 66 Ca -0.00 1.85 -0.30 0.00 -1.03 0.00 0.00 54.13 54.65 1pgj s LEU 66 Cb 0.11 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.67 1pgj s LEU 66 CO 0.62 -0.08 1.67 -1.59 0.23 0.00 0.00 176.35 177.20 1pgj s LYS 67 N -0.10 4.19 0.15 1.70 -2.85 -0.78 -4.69 119.74 117.36 1pgj s LYS 67 Ca 0.47 2.26 -0.34 0.00 -1.00 0.00 0.00 55.97 57.37 1pgj s LYS 67 Cb -0.25 -3.86 -0.13 0.00 -2.06 0.00 0.00 37.83 31.53 1pgj s LYS 67 CO 0.31 -0.80 1.62 1.17 0.10 0.00 0.00 175.35 177.75 1pgj n LYS 68 N 6.58 2.26 -2.72 1.78 4.81 -1.26 -3.03 118.16 126.58 1pgj n LYS 68 Ca 0.17 0.82 -0.40 0.00 -0.87 0.00 0.00 58.31 58.02 1pgj n LYS 68 Cb 0.42 -2.61 -0.06 0.00 0.02 0.00 0.00 35.03 32.81 1pgj n LYS 68 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1pgj s PRO 69 N 1.19 4.83 1.01 1.64 0.02 -1.26 -5.12 135.00 137.30 1pgj s PRO 69 Ca 0.79 1.51 -0.12 0.00 0.02 0.00 0.00 61.00 63.21 1pgj s PRO 69 Cb -0.65 -3.28 0.19 0.00 0.02 0.00 0.00 34.50 30.79 1pgj s PRO 69 CO 0.38 0.47 1.08 1.03 -0.33 0.00 0.00 177.00 179.62 1pgj s ARG 70 N -1.09 0.33 -0.15 5.54 3.00 -1.17 -4.80 118.95 120.61 1pgj s ARG 70 Ca 0.42 0.98 -0.04 0.00 0.00 0.00 0.00 55.73 57.09 1pgj s ARG 70 Cb -0.26 -1.69 0.07 0.00 0.00 0.00 0.00 34.95 33.07 1pgj s ARG 70 CO 0.33 -2.92 0.23 0.15 0.00 0.00 0.00 175.30 173.08 1pgj s LYS 71 N -4.69 0.14 -0.15 3.54 1.02 -1.26 -1.46 119.74 116.88 1pgj s LYS 71 Ca 0.66 0.50 -0.00 0.00 0.02 0.00 0.00 55.97 57.15 1pgj s LYS 71 Cb -0.22 -0.54 0.03 0.00 -0.52 0.00 0.00 37.83 36.59 1pgj s LYS 71 CO 0.60 -0.44 -0.08 0.00 -0.92 0.00 0.00 175.35 174.51 1pgj s ALA 72 N 2.36 1.54 -0.31 5.17 0.00 -1.08 -1.76 121.76 127.68 1pgj s ALA 72 Ca 0.04 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.96 1pgj s ALA 72 Cb -0.13 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.94 1pgj s ALA 72 CO -0.09 -0.60 0.88 -0.51 0.00 0.00 0.00 175.76 175.44 1pgj s LEU 73 N 1.61 4.04 -0.54 0.00 1.43 -0.92 -0.96 118.68 123.34 1pgj s LEU 73 Ca 0.03 0.79 -0.23 0.00 -1.03 0.00 0.00 54.13 53.69 1pgj s LEU 73 Cb -0.14 -3.23 0.05 0.00 0.03 0.00 0.00 46.19 42.90 1pgj s LEU 73 CO -0.08 -0.70 0.85 -0.63 0.23 0.00 0.00 176.35 176.01 1pgj s ILE 74 N 3.18 4.53 -0.39 -0.59 1.01 0.97 -0.95 121.20 128.97 1pgj s ILE 74 Ca 0.37 0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.09 1pgj s ILE 74 Cb -0.13 -4.47 0.59 0.00 0.01 0.00 0.00 42.46 38.45 1pgj s ILE 74 CO 0.13 -1.04 1.73 0.18 0.00 0.00 0.00 174.94 175.94 1pgj n LEU 75 N 7.08 5.67 -4.44 2.97 4.77 0.16 -2.40 117.00 130.82 1pgj n LEU 75 Ca -0.01 -3.73 -0.44 0.00 -0.03 0.00 0.00 56.01 51.80 1pgj n LEU 75 Cb 0.47 -0.75 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1pgj n LEU 75 CO 0.61 1.18 0.14 -0.69 -1.33 0.00 0.00 177.39 177.30 1pgj s VAL 76 N -3.36 5.08 -0.26 4.08 1.01 -1.22 -4.56 120.40 121.17 1pgj s VAL 76 Ca 0.52 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1pgj s VAL 76 Cb 0.45 -4.14 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1pgj s VAL 76 CO 0.06 -0.59 1.84 -1.10 0.00 0.00 0.00 175.10 175.30 1pgj s GLN 77 N 2.10 3.47 0.00 2.72 -0.21 -1.26 -4.60 119.66 121.88 1pgj s GLN 77 Ca 0.10 1.67 0.00 0.00 0.02 0.00 0.00 55.36 57.15 1pgj s GLN 77 Cb -0.20 -4.18 0.00 0.00 1.00 0.00 0.00 33.01 29.62 1pgj s GLN 77 CO 0.11 -1.70 0.00 0.00 -2.12 0.00 0.00 175.29 171.58 1pgj n ALA 78 N 9.89 0.00 0.08 6.09 0.00 -1.26 -4.94 120.51 130.37 1pgj n ALA 78 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1pgj n ALA 78 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 1pgj n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pgj n GLY 79 N 0.00 -0.98 0.07 0.00 0.00 -1.26 -4.77 105.19 98.25 1pgj n GLY 79 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1pgj n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgj h ALA 80 N 0.00 0.03 -0.70 4.61 0.00 -1.98 -3.13 119.26 118.09 1pgj h ALA 80 Ca 0.00 -0.48 0.10 0.00 0.00 0.00 0.00 54.91 54.53 1pgj h ALA 80 Cb 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1pgj h ALA 80 CO 0.00 0.10 0.46 0.00 0.00 0.00 0.00 179.25 179.81 1pgj h ALA 81 N -0.29 1.92 -0.66 0.00 0.00 -1.93 0.18 119.26 118.47 1pgj h ALA 81 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pgj h ALA 81 Cb 0.82 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1pgj h ALA 81 CO -0.02 -0.07 0.39 1.15 0.00 0.00 0.00 179.25 180.70 1pgj h THR 82 N 0.55 1.19 -0.34 0.00 2.02 -1.81 0.39 112.91 114.90 1pgj h THR 82 Ca 0.32 -0.44 -0.14 0.00 0.77 0.00 0.00 66.41 66.92 1pgj h THR 82 Cb 0.53 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1pgj h THR 82 CO -0.11 0.20 -0.37 0.44 0.37 0.00 0.00 175.52 176.06 1pgj h ASP 83 N 0.90 0.84 -0.32 4.18 3.32 -0.73 -0.49 116.42 124.12 1pgj h ASP 83 Ca 0.24 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1pgj h ASP 83 Cb -0.01 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1pgj h ASP 83 CO -0.04 1.11 0.18 -1.28 -1.72 0.00 0.00 179.24 177.49 1pgj h SER 84 N 0.66 0.39 -0.66 6.45 0.87 0.05 -1.66 113.55 119.65 1pgj h SER 84 Ca 0.06 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1pgj h SER 84 Cb 0.92 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 1pgj h SER 84 CO 0.08 0.36 0.38 0.74 -0.53 0.00 0.00 176.83 177.86 1pgj h THR 85 N 0.39 1.20 -0.08 2.23 2.02 -0.15 -1.84 112.91 116.68 1pgj h THR 85 Ca 0.11 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1pgj h THR 85 Cb 0.05 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1pgj h THR 85 CO -0.02 0.22 0.05 0.40 0.37 0.00 0.00 175.52 176.54 1pgj h ILE 86 N 0.90 1.02 -0.05 3.11 2.04 -0.52 -1.74 117.51 122.28 1pgj h ILE 86 Ca 0.23 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 66.02 1pgj h ILE 86 Cb 0.01 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1pgj h ILE 86 CO -0.04 0.02 -0.09 -0.33 0.00 0.00 0.00 178.15 177.71 1pgj h GLU 87 N 0.12 0.15 -0.15 2.37 4.39 -0.50 -0.39 114.58 120.57 1pgj h GLU 87 Ca 0.03 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.66 1pgj h GLU 87 Cb -0.01 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.60 1pgj h GLU 87 CO -0.01 0.67 -0.41 1.96 -1.16 0.00 0.00 179.01 180.07 1pgj h GLN 88 N -0.35 -0.38 -0.01 2.33 1.08 -0.97 -2.70 115.11 114.11 1pgj h GLN 88 Ca 0.00 0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.25 1pgj h GLN 88 Cb 0.66 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 28.13 1pgj h GLN 88 CO 0.02 -0.26 -0.51 -0.07 -0.95 0.00 0.00 178.83 177.06 1pgj h LEU 89 N -0.40 -1.58 -1.36 1.46 3.38 -1.39 -2.69 115.31 112.72 1pgj h LEU 89 Ca 0.03 0.18 0.45 0.00 0.09 0.00 0.00 57.88 58.62 1pgj h LEU 89 Cb 0.49 0.60 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1pgj h LEU 89 CO -0.35 -0.49 0.84 0.50 0.09 0.00 0.00 178.44 179.02 1pgj h LYS 90 N -0.63 0.06 0.00 1.13 3.64 -0.87 0.37 116.57 120.26 1pgj h LYS 90 Ca 0.01 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1pgj h LYS 90 Cb 0.68 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1pgj h LYS 90 CO -0.35 0.04 -0.13 -0.22 -2.27 0.00 0.00 179.45 176.52 1pgj h LYS 91 N 0.06 0.09 0.00 1.90 1.63 -1.16 -3.27 116.57 115.81 1pgj h LYS 91 Ca 0.84 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 60.55 1pgj h LYS 91 Cb 2.62 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 34.28 1pgj h LYS 91 CO -0.46 0.87 0.00 1.33 -3.45 0.00 0.00 179.45 177.74 1pgj n VAL 92 N -4.60 0.00 -4.03 2.00 0.24 -0.20 -4.85 118.33 106.88 1pgj n VAL 92 Ca -0.10 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.95 1pgj n VAL 92 Cb 0.45 -0.49 -0.04 0.00 -1.47 0.00 0.00 33.84 32.29 1pgj n VAL 92 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1pgj s PHE 93 N -2.00 3.29 0.17 6.34 0.40 -0.05 -4.90 117.98 121.22 1pgj s PHE 93 Ca 0.44 0.02 0.06 0.00 -0.60 0.00 0.00 56.93 56.85 1pgj s PHE 93 Cb 0.20 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 1pgj s PHE 93 CO 0.34 0.51 0.08 -1.21 0.70 0.00 0.00 175.22 175.63 1pgj s GLU 94 N -3.30 2.68 -0.37 0.44 2.02 -1.26 -4.95 118.70 113.96 1pgj s GLU 94 Ca 0.33 -0.98 -0.40 0.00 0.02 0.00 0.00 54.97 53.93 1pgj s GLU 94 Cb -0.10 -2.51 -0.15 0.00 0.10 0.00 0.00 34.13 31.46 1pgj s GLU 94 CO 0.26 0.47 1.98 0.36 0.02 0.00 0.00 175.26 178.34 1pgj n LYS 95 N -0.27 0.77 0.00 1.61 -0.00 -1.26 -1.35 118.16 117.65 1pgj n LYS 95 Ca -0.09 0.25 0.00 0.00 -0.00 0.00 0.00 58.31 58.47 1pgj n LYS 95 Cb 0.55 -2.04 0.00 0.00 -0.00 0.00 0.00 35.03 33.54 1pgj n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1pgj n GLY 96 N 5.75 1.92 3.16 2.58 0.00 -0.21 -4.99 105.19 113.40 1pgj n GLY 96 Ca 0.38 -0.57 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1pgj n GLY 96 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pgj n ASP 97 N 0.07 -2.65 -4.24 1.61 8.00 -0.46 -4.30 116.55 114.58 1pgj n ASP 97 Ca 0.00 -0.20 -0.26 0.00 0.71 0.00 0.00 54.79 55.05 1pgj n ASP 97 Cb 0.00 -0.84 -0.14 0.00 -0.02 0.00 0.00 41.12 40.12 1pgj n ASP 97 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pgj s ILE 98 N -2.15 1.65 -0.14 0.53 1.01 -0.54 -0.31 121.20 121.25 1pgj s ILE 98 Ca 0.47 -1.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 1pgj s ILE 98 Cb -0.07 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 41.02 1pgj s ILE 98 CO 0.56 0.27 -0.04 -0.76 0.00 0.00 0.00 174.94 174.97 1pgj s LEU 99 N -1.00 1.27 -0.26 2.97 1.43 -0.01 -2.63 118.68 120.46 1pgj s LEU 99 Ca 0.08 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1pgj s LEU 99 Cb -0.09 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.35 1pgj s LEU 99 CO 0.01 -0.17 0.01 -0.69 0.23 0.00 0.00 176.35 175.74 1pgj s VAL 100 N 1.73 3.63 -0.45 -1.59 1.01 -0.13 -2.02 120.40 122.57 1pgj s VAL 100 Ca 0.03 -0.61 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 1pgj s VAL 100 Cb -0.14 -2.78 0.04 0.00 0.00 0.00 0.00 36.38 33.50 1pgj s VAL 100 CO -0.07 0.25 0.52 -0.62 0.00 0.00 0.00 175.10 175.17 1pgj s ASP 101 N 1.48 6.22 0.00 3.32 2.15 0.58 -0.02 116.67 130.40 1pgj s ASP 101 Ca 0.04 -0.76 0.17 0.00 0.43 0.00 0.00 52.55 52.42 1pgj s ASP 101 Cb -0.16 -2.25 0.48 0.00 -0.30 0.00 0.00 42.92 40.69 1pgj s ASP 101 CO -0.00 -0.70 1.40 0.35 -0.17 0.00 0.00 175.17 176.04 1pgj n THR 102 N 5.52 0.71 -0.22 1.71 -2.24 -1.01 -0.45 114.28 118.30 1pgj n THR 102 Ca -0.07 -0.71 -0.06 0.00 -2.27 0.00 0.00 64.05 60.94 1pgj n THR 102 Cb 0.46 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.01 1pgj n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pgj n GLY 103 N 1.35 -2.00 0.00 3.38 0.00 -1.23 -4.50 105.19 102.20 1pgj n GLY 103 Ca 0.18 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.95 1pgj n GLY 103 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pgj n ASN 104 N -4.33 0.00 -4.87 1.61 2.85 -1.26 -4.52 115.26 104.73 1pgj n ASN 104 Ca 0.01 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.21 1pgj n ASN 104 Cb 0.14 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.14 1pgj n ASN 104 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pgj s ALA 105 N -2.00 4.33 0.35 5.20 0.00 -1.26 -4.85 121.76 123.53 1pgj s ALA 105 Ca 0.00 -1.20 -0.28 0.00 0.00 0.00 0.00 51.96 50.47 1pgj s ALA 105 Cb 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 23.12 22.39 1pgj s ALA 105 CO 0.00 -0.36 1.46 1.58 0.00 0.00 0.00 175.76 178.44 1pgj n HIS 106 N -1.66 2.79 0.24 0.00 -0.00 -1.26 -4.85 115.22 110.48 1pgj n HIS 106 Ca -0.04 0.44 0.14 0.00 0.46 0.00 0.00 57.72 58.72 1pgj n HIS 106 Cb 0.65 -2.52 0.80 0.00 -0.12 0.00 0.00 29.99 28.80 1pgj n HIS 106 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 1pgj h PHE 107 N 3.21 0.00 -0.68 1.57 -0.00 -1.86 -0.53 116.94 118.65 1pgj h PHE 107 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 57.97 57.46 1pgj h PHE 107 Cb 1.25 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.17 1pgj h PHE 107 CO 0.53 0.00 0.34 0.87 -0.00 0.00 0.00 178.31 180.05 1pgj h LYS 108 N 0.00 0.97 -0.48 6.09 1.57 -1.92 -1.69 116.57 121.11 1pgj h LYS 108 Ca 0.04 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.60 1pgj h LYS 108 Cb 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1pgj h LYS 108 CO -0.00 0.74 -0.10 -0.44 -0.57 0.00 0.00 179.45 179.08 1pgj h ASP 109 N 0.96 0.86 -0.77 0.86 3.32 -1.45 -2.70 116.42 117.51 1pgj h ASP 109 Ca 0.24 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.97 1pgj h ASP 109 Cb 0.09 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1pgj h ASP 109 CO -0.03 0.98 0.27 1.56 -1.72 0.00 0.00 179.24 180.29 1pgj h GLN 110 N 0.78 1.18 -0.12 3.56 1.08 -1.24 -0.94 115.11 119.41 1pgj h GLN 110 Ca 0.13 -0.24 0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1pgj h GLN 110 Cb 0.61 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1pgj h GLN 110 CO 0.04 0.98 0.09 0.78 -0.95 0.00 0.00 178.83 179.77 1pgj h GLY 111 N 1.13 0.00 0.00 3.46 0.00 -1.01 -1.52 103.07 105.13 1pgj h GLY 111 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1pgj h GLY 111 CO -0.01 0.00 0.00 -2.13 0.00 0.00 0.00 176.54 174.40 1pgj n ARG 112 N -4.50 0.00 -0.30 4.80 0.63 -0.61 -2.85 116.66 113.83 1pgj n ARG 112 Ca -0.00 0.41 0.14 0.00 -0.92 0.00 0.00 57.85 57.47 1pgj n ARG 112 Cb 0.21 -1.04 0.27 0.00 0.45 0.00 0.00 32.46 32.35 1pgj n ARG 112 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1pgj n ARG 113 N -1.73 -0.07 0.12 -0.14 1.74 -0.46 -0.97 116.66 115.16 1pgj n ARG 113 Ca 0.00 1.30 -0.05 0.00 -0.77 0.00 0.00 57.85 58.33 1pgj n ARG 113 Cb 0.00 -2.07 -0.02 0.00 -1.02 0.00 0.00 32.46 29.34 1pgj n ARG 113 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1pgj h ALA 114 N 1.74 -1.03 -0.90 7.54 0.00 -1.42 -2.79 119.26 122.39 1pgj h ALA 114 Ca 0.54 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.63 1pgj h ALA 114 Cb 1.13 0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 1pgj h ALA 114 CO -0.81 -1.02 0.17 1.96 0.00 0.00 0.00 179.25 179.55 1pgj h GLN 115 N -0.31 0.12 0.92 0.00 4.20 -0.90 -1.40 115.11 117.74 1pgj h GLN 115 Ca -0.03 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1pgj h GLN 115 Cb 0.24 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.00 1pgj h GLN 115 CO 0.04 0.08 -0.44 1.96 -0.67 0.00 0.00 178.83 179.80 1pgj h GLN 116 N 0.13 -1.19 -0.59 1.46 4.20 -1.36 -3.25 115.11 114.51 1pgj h GLN 116 Ca 0.57 0.08 0.12 0.00 0.06 0.00 0.00 58.65 59.48 1pgj h GLN 116 Cb 1.17 0.27 -0.11 0.00 0.30 0.00 0.00 27.48 29.12 1pgj h GLN 116 CO -0.74 -0.79 -0.09 -0.07 -0.67 0.00 0.00 178.83 176.47 1pgj h LEU 117 N -1.24 -0.44 -1.31 1.46 3.38 -1.00 -1.45 115.31 114.71 1pgj h LEU 117 Ca -0.13 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1pgj h LEU 117 Cb 0.95 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1pgj h LEU 117 CO 0.21 -0.17 0.48 -0.33 0.09 0.00 0.00 178.44 178.73 1pgj h GLU 118 N 0.04 0.88 0.00 1.13 5.08 -1.29 0.76 114.58 121.18 1pgj h GLU 118 Ca 0.29 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1pgj h GLU 118 Cb 0.46 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1pgj h GLU 118 CO -0.57 0.58 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 1pgj n ALA 119 N -2.43 2.05 0.07 3.43 0.00 -0.61 -1.84 120.51 121.17 1pgj n ALA 119 Ca 0.09 -0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.51 1pgj n ALA 119 Cb 0.11 -1.35 0.13 0.00 0.00 0.00 0.00 19.45 18.33 1pgj n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pgj n ALA 120 N -1.42 2.30 0.00 0.00 0.00 0.24 -5.01 120.51 116.62 1pgj n ALA 120 Ca 0.07 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.56 1pgj n ALA 120 Cb 0.22 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1pgj n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pgj n GLY 121 N 0.65 2.55 3.93 0.00 0.00 0.13 -4.91 105.19 107.54 1pgj n GLY 121 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1pgj n GLY 121 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgj s LEU 122 N 0.00 4.01 -0.13 0.99 1.43 -0.96 -1.05 118.68 122.98 1pgj s LEU 122 Ca 0.00 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 1pgj s LEU 122 Cb 0.00 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.79 1pgj s LEU 122 CO 0.00 -0.27 0.01 -0.13 0.23 0.00 0.00 176.35 176.19 1pgj s ARG 123 N -4.08 3.40 0.34 1.70 0.52 0.57 -3.15 118.95 118.25 1pgj s ARG 123 Ca 0.41 -0.41 0.08 0.00 -0.52 0.00 0.00 55.73 55.30 1pgj s ARG 123 Cb -0.10 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.39 1pgj s ARG 123 CO 0.35 0.50 0.09 0.12 0.02 0.00 0.00 175.30 176.37 1pgj s PHE 124 N -0.30 2.64 -0.29 -0.53 5.36 -1.26 -0.83 117.98 122.77 1pgj s PHE 124 Ca 0.07 -0.41 -0.13 0.00 -0.96 0.00 0.00 56.93 55.50 1pgj s PHE 124 Cb -0.12 -1.59 0.13 0.00 -0.34 0.00 0.00 43.02 41.10 1pgj s PHE 124 CO 0.02 0.39 0.77 -1.17 -1.46 0.00 0.00 175.22 173.77 1pgj s LEU 125 N -3.79 -0.91 -0.27 6.12 2.96 -0.86 -3.91 118.68 118.01 1pgj s LEU 125 Ca 0.37 1.31 -0.13 0.00 -0.22 0.00 0.00 54.13 55.45 1pgj s LEU 125 Cb -0.01 2.12 -0.04 0.00 0.50 0.00 0.00 46.19 48.75 1pgj s LEU 125 CO 0.21 -0.19 0.28 -0.83 -1.32 0.00 0.00 176.35 174.51 1pgj s GLY 126 N 2.38 1.91 -0.04 7.98 0.00 -0.85 -0.30 107.32 118.40 1pgj s GLY 126 Ca -0.06 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.73 1pgj s GLY 126 CO -0.18 0.81 -0.05 -0.29 0.00 0.00 0.00 173.10 173.39 1pgj s MET 127 N 1.89 0.83 0.42 2.90 0.00 0.40 -2.18 119.30 123.56 1pgj s MET 127 Ca 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 55.69 55.60 1pgj s MET 127 Cb -0.16 -0.82 -0.05 0.00 0.00 0.00 0.00 34.83 33.81 1pgj s MET 127 CO 0.10 -0.05 0.73 0.20 0.00 0.00 0.00 175.02 176.01 1pgj s GLY 128 N 0.78 1.69 -0.04 2.11 0.00 -0.35 -3.56 107.32 107.95 1pgj s GLY 128 Ca -0.11 -0.43 -0.01 0.00 0.00 0.00 0.00 44.72 44.17 1pgj s GLY 128 CO 0.00 -0.27 0.05 -0.42 0.00 0.00 0.00 173.10 172.46 1pgj s ILE 129 N -2.50 -0.07 0.06 0.90 1.01 -1.26 -1.64 121.20 117.71 1pgj s ILE 129 Ca 0.48 0.35 0.06 0.00 0.00 0.00 0.00 60.65 61.53 1pgj s ILE 129 Cb -0.10 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 1pgj s ILE 129 CO 0.38 0.16 -0.17 -0.55 0.00 0.00 0.00 174.94 174.76 1pgj s SER 130 N 1.81 1.98 0.00 3.58 0.15 -0.73 -4.85 113.70 115.64 1pgj s SER 130 Ca 0.00 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1pgj s SER 130 Cb -0.12 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.07 1pgj s SER 130 CO -0.03 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1pgj n GLY 131 N 1.54 0.55 7.00 9.45 0.00 -1.20 -1.97 105.19 120.56 1pgj n GLY 131 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1pgj n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgj n GLY 132 N 0.00 -1.25 0.24 -0.02 0.00 -1.26 -2.02 105.19 100.88 1pgj n GLY 132 Ca 0.00 -1.25 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 1pgj n GLY 132 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pgj h GLU 133 N 0.00 -0.54 -0.27 1.61 4.81 -1.99 -1.01 114.58 117.20 1pgj h GLU 133 Ca 0.00 0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1pgj h GLU 133 Cb 0.00 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1pgj h GLU 133 CO 0.00 -0.36 0.12 0.93 -0.73 0.00 0.00 179.01 178.97 1pgj h GLU 134 N -0.56 0.39 -0.91 1.92 5.08 -1.96 -2.70 114.58 115.84 1pgj h GLU 134 Ca -0.05 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1pgj h GLU 134 Cb 0.43 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1pgj h GLU 134 CO 0.09 0.39 0.57 0.78 -1.00 0.00 0.00 179.01 179.83 1pgj h GLY 135 N 0.29 1.39 0.99 -3.84 0.00 -1.32 0.10 103.07 100.68 1pgj h GLY 135 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1pgj h GLY 135 CO -0.01 0.26 0.20 0.00 0.00 0.00 0.00 176.54 176.99 1pgj h ALA 136 N 1.44 0.40 -0.32 3.60 0.00 -1.00 0.68 119.26 124.06 1pgj h ALA 136 Ca 0.41 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1pgj h ALA 136 Cb 0.23 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1pgj h ALA 136 CO -0.19 -0.12 -0.46 -0.09 0.00 0.00 0.00 179.25 178.39 1pgj h ARG 137 N 0.42 0.83 0.02 0.00 9.65 -1.13 -3.33 114.38 120.84 1pgj h ARG 137 Ca 0.11 -0.47 -0.35 0.00 -1.10 0.00 0.00 59.98 58.17 1pgj h ARG 137 Cb -0.02 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 1pgj h ARG 137 CO -0.02 1.11 -2.17 1.63 2.80 0.00 0.00 179.97 183.32 1pgj n LYS 138 N -4.03 0.68 0.00 0.20 5.02 0.32 -4.38 118.16 115.97 1pgj n LYS 138 Ca -0.03 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1pgj n LYS 138 Cb 0.58 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 1pgj n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgj n GLY 139 N 1.84 1.08 0.00 0.72 0.00 0.22 -4.81 105.19 104.24 1pgj n GLY 139 Ca -0.31 0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1pgj n GLY 139 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1pgj n PRO 140 N 0.00 1.02 -4.53 1.61 -0.04 -0.47 -3.50 135.00 129.09 1pgj n PRO 140 Ca 0.00 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1pgj n PRO 140 Cb 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.34 1pgj n PRO 140 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1pgj s ALA 141 N -2.77 2.58 0.15 0.55 0.00 -0.83 -0.47 121.76 120.97 1pgj s ALA 141 Ca 0.00 -1.28 0.10 0.00 0.00 0.00 0.00 51.96 50.78 1pgj s ALA 141 Cb 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 1pgj s ALA 141 CO 0.00 0.57 -0.23 -0.06 0.00 0.00 0.00 175.76 176.04 1pgj s PHE 142 N -1.01 2.13 -0.37 0.00 0.08 -1.05 -1.77 117.98 115.99 1pgj s PHE 142 Ca 0.16 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1pgj s PHE 142 Cb -0.10 -1.10 0.14 0.00 -0.57 0.00 0.00 43.02 41.38 1pgj s PHE 142 CO 0.07 0.37 0.22 -0.06 -0.10 0.00 0.00 175.22 175.71 1pgj s PHE 143 N -1.45 0.94 0.27 0.36 0.08 -0.65 -4.28 117.98 113.24 1pgj s PHE 143 Ca 0.15 -1.77 -0.12 0.00 0.12 0.00 0.00 56.93 55.31 1pgj s PHE 143 Cb -0.09 -1.08 -0.08 0.00 -0.57 0.00 0.00 43.02 41.21 1pgj s PHE 143 CO 0.07 -0.82 0.63 -2.14 -0.10 0.00 0.00 175.22 172.86 1pgj s PRO 144 N 0.92 3.90 -0.12 0.24 0.02 -1.25 -1.22 135.00 137.49 1pgj s PRO 144 Ca 0.18 0.46 -0.17 0.00 0.02 0.00 0.00 61.00 61.49 1pgj s PRO 144 Cb -0.23 -2.56 0.04 0.00 0.02 0.00 0.00 34.50 31.78 1pgj s PRO 144 CO 0.00 0.25 0.44 0.20 -0.33 0.00 0.00 177.00 177.56 1pgj s GLY 145 N -2.30 -0.32 0.00 0.52 0.00 -0.92 -0.41 107.32 103.88 1pgj s GLY 145 Ca 0.50 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.28 1pgj s GLY 145 CO 0.19 0.86 0.00 0.61 0.00 0.00 0.00 173.10 174.77 1pgj n GLY 146 N 2.32 0.49 3.67 0.20 0.00 -0.46 -2.01 105.19 109.40 1pgj n GLY 146 Ca -0.16 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 1pgj n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pgj s THR 147 N -3.46 2.89 0.37 2.61 2.01 -1.25 -4.30 115.64 114.51 1pgj s THR 147 Ca 0.00 0.12 0.14 0.00 0.31 0.00 0.00 61.69 62.26 1pgj s THR 147 Cb 0.00 -3.08 0.36 0.00 0.01 0.00 0.00 72.50 69.79 1pgj s THR 147 CO 0.00 -0.01 1.79 -0.07 -0.69 0.00 0.00 174.62 175.64 1pgj h LEU 148 N 9.74 0.54 -0.02 4.42 3.38 -1.96 0.11 115.31 131.52 1pgj h LEU 148 Ca -0.47 0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.32 1pgj h LEU 148 Cb 1.22 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.98 1pgj h LEU 148 CO 0.94 0.16 -1.09 0.77 0.09 0.00 0.00 178.44 179.31 1pgj h SER 149 N 0.51 0.69 -0.79 -0.43 4.64 -2.01 -3.27 113.55 112.88 1pgj h SER 149 Ca 0.56 -0.60 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 1pgj h SER 149 Cb 1.25 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 63.08 1pgj h SER 149 CO -0.30 1.41 0.52 0.58 -0.87 0.00 0.00 176.83 178.17 1pgj h VAL 150 N 0.26 1.05 0.39 0.95 2.07 -1.37 -2.74 116.25 116.86 1pgj h VAL 150 Ca -0.13 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1pgj h VAL 150 Cb 1.75 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 1pgj h VAL 150 CO 0.20 0.16 -0.39 -0.25 0.02 0.00 0.00 177.57 177.31 1pgj h TRP 151 N 0.87 -1.06 -1.13 1.57 -0.00 -1.49 -2.70 115.95 112.01 1pgj h TRP 151 Ca 0.33 0.01 0.32 0.00 -0.00 0.00 0.00 58.89 59.55 1pgj h TRP 151 Cb 0.21 0.41 -0.06 0.00 -0.00 0.00 0.00 29.16 29.72 1pgj h TRP 151 CO -0.00 -0.54 0.79 0.93 -0.00 0.00 0.00 178.44 179.62 1pgj h GLU 152 N -0.80 0.10 -0.20 2.65 4.39 -1.61 0.17 114.58 119.29 1pgj h GLU 152 Ca -0.03 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 1pgj h GLU 152 Cb 0.71 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1pgj h GLU 152 CO -0.06 0.07 -0.22 0.93 -1.16 0.00 0.00 179.01 178.57 1pgj h GLU 153 N 0.10 0.49 0.00 2.33 4.39 -1.51 -3.32 114.58 117.06 1pgj h GLU 153 Ca 0.57 -0.27 -0.11 0.00 0.34 0.00 0.00 59.36 59.90 1pgj h GLU 153 Cb 2.04 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.69 1pgj h GLU 153 CO -0.09 0.85 -0.74 0.97 -1.16 0.00 0.00 179.01 178.84 1pgj h ILE 154 N 0.16 0.64 -0.87 3.13 2.10 -0.68 -3.40 117.51 118.58 1pgj h ILE 154 Ca 0.03 -1.98 0.15 0.00 1.08 0.00 0.00 64.86 64.14 1pgj h ILE 154 Cb 0.77 2.22 -0.15 0.00 -1.09 0.00 0.00 36.82 38.57 1pgj h ILE 154 CO 0.05 0.37 -0.28 -1.14 -1.08 0.00 0.00 178.15 176.07 1pgj n ARG 155 N -3.09 -0.14 -0.18 2.19 0.63 0.32 -1.85 116.66 114.55 1pgj n ARG 155 Ca -0.01 1.35 -0.02 0.00 -0.92 0.00 0.00 57.85 58.26 1pgj n ARG 155 Cb 0.73 -2.02 0.08 0.00 0.45 0.00 0.00 32.46 31.71 1pgj n ARG 155 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1pgj h PRO 156 N 0.00 0.36 -0.21 -0.14 0.11 -1.81 0.13 132.00 130.43 1pgj h PRO 156 Ca 0.36 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.44 1pgj h PRO 156 Cb 0.58 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 1pgj h PRO 156 CO -0.88 0.24 0.08 0.82 -0.21 0.00 0.00 178.00 178.04 1pgj h ILE 157 N 0.37 1.17 0.09 4.15 1.08 -1.68 -2.79 117.51 119.90 1pgj h ILE 157 Ca 0.27 -0.53 -0.28 0.00 -0.39 0.00 0.00 64.86 63.93 1pgj h ILE 157 Cb 0.31 1.13 0.02 0.00 -3.07 0.00 0.00 36.82 35.21 1pgj h ILE 157 CO -0.28 0.17 -1.18 -0.37 -0.69 0.00 0.00 178.15 175.80 1pgj h VAL 158 N 0.18 1.33 0.00 1.67 -1.51 -1.30 -3.13 116.25 113.48 1pgj h VAL 158 Ca 0.07 -2.52 -0.00 0.00 -1.23 0.00 0.00 66.70 63.02 1pgj h VAL 158 Cb 0.19 2.66 -0.00 0.00 -2.13 0.00 0.00 31.29 32.01 1pgj h VAL 158 CO -0.00 0.76 -0.01 -0.33 -1.23 0.00 0.00 177.57 176.75 1pgj h GLU 159 N 0.25 0.00 0.04 5.19 5.08 -0.78 0.55 114.58 124.91 1pgj h GLU 159 Ca -0.16 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 57.97 1pgj h GLU 159 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 1pgj h GLU 159 CO 0.22 0.01 -1.01 0.00 -1.00 0.00 0.00 179.01 177.23 1pgj h ALA 160 N 1.99 0.32 0.00 3.43 0.00 -1.54 -3.30 119.26 120.16 1pgj h ALA 160 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1pgj h ALA 160 Cb 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pgj h ALA 160 CO 0.00 0.88 -0.65 0.00 0.00 0.00 0.00 179.25 179.48 1pgj n ALA 161 N -2.52 3.76 -1.25 0.00 0.00 -0.49 -4.94 120.51 115.07 1pgj n ALA 161 Ca -0.07 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.67 1pgj n ALA 161 Cb 0.88 -1.04 0.10 0.00 0.00 0.00 0.00 19.45 19.39 1pgj n ALA 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pgj s ALA 162 N -3.02 2.09 0.50 0.00 0.00 0.06 -3.76 121.76 117.64 1pgj s ALA 162 Ca 0.10 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 1pgj s ALA 162 Cb 0.17 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 1pgj s ALA 162 CO 0.74 -1.90 1.01 0.00 0.00 0.00 0.00 175.76 175.61 1pgj s ALA 163 N -2.91 2.94 -0.15 0.00 0.00 0.38 -4.70 121.76 117.31 1pgj s ALA 163 Ca 0.62 0.40 -0.05 0.00 0.00 0.00 0.00 51.96 52.93 1pgj s ALA 163 Cb -0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1pgj s ALA 163 CO 0.56 -0.28 0.01 0.15 0.00 0.00 0.00 175.76 176.20 1pgj s LYS 164 N -3.60 3.69 1.00 0.00 3.01 -1.26 -0.56 119.74 122.02 1pgj s LYS 164 Ca 0.63 -0.44 -0.16 0.00 -1.01 0.00 0.00 55.97 55.00 1pgj s LYS 164 Cb -0.13 -3.01 0.20 0.00 -1.01 0.00 0.00 37.83 33.89 1pgj s LYS 164 CO 0.24 0.32 1.23 0.00 0.51 0.00 0.00 175.35 177.66 1pgj s ALA 165 N 0.17 1.80 -2.00 5.17 0.00 -0.03 -4.87 121.76 122.00 1pgj s ALA 165 Ca 0.01 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.02 1pgj s ALA 165 Cb -0.13 -2.85 0.31 0.00 0.00 0.00 0.00 23.12 20.45 1pgj s ALA 165 CO 0.02 -2.65 0.76 -0.40 0.00 0.00 0.00 175.76 173.49 1pgj n ASP 166 N -3.98 0.00 -0.41 0.00 5.75 -1.26 -1.06 116.55 115.59 1pgj n ASP 166 Ca 0.13 -0.19 0.08 0.00 -0.01 0.00 0.00 54.79 54.80 1pgj n ASP 166 Cb 0.60 0.00 0.17 0.00 -1.03 0.00 0.00 41.12 40.86 1pgj n ASP 166 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1pgj n ASP 167 N -0.96 2.94 0.00 -1.12 5.68 -1.26 -4.96 116.55 116.86 1pgj n ASP 167 Ca 0.04 -2.88 0.00 0.00 -0.50 0.00 0.00 54.79 51.44 1pgj n ASP 167 Cb 0.02 -0.42 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1pgj n ASP 167 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pgj n GLY 168 N -0.86 1.77 3.73 6.12 0.00 -0.22 -4.99 105.19 110.74 1pgj n GLY 168 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1pgj n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pgj s ARG 169 N -0.08 4.54 0.18 1.61 0.52 -1.26 -4.75 118.95 119.71 1pgj s ARG 169 Ca 0.00 1.76 -0.30 0.00 -0.52 0.00 0.00 55.73 56.67 1pgj s ARG 169 Cb 0.00 -3.28 -0.07 0.00 0.52 0.00 0.00 34.95 32.11 1pgj s ARG 169 CO 0.00 -0.02 1.06 -1.25 0.02 0.00 0.00 175.30 175.12 1pgj s PRO 170 N -0.11 4.64 -1.32 3.54 0.04 -1.26 -0.86 135.00 139.67 1pgj s PRO 170 Ca 0.52 1.66 -0.10 0.00 0.04 0.00 0.00 61.00 63.11 1pgj s PRO 170 Cb -0.30 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 30.88 1pgj s PRO 170 CO 0.34 0.14 2.51 0.00 0.04 0.00 0.00 177.00 180.04 1pgj s VAL 172 N 2.94 0.04 -0.19 0.00 1.01 -1.26 -2.53 120.40 120.41 1pgj s VAL 172 Ca 0.56 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 1pgj s VAL 172 Cb 0.15 -0.57 0.13 0.00 0.00 0.00 0.00 36.38 36.09 1pgj s VAL 172 CO -0.04 -0.18 1.05 0.28 0.00 0.00 0.00 175.10 176.21 1pgj s THR 173 N -0.85 0.00 -0.15 3.92 -1.32 -1.26 -4.99 115.64 110.99 1pgj s THR 173 Ca -0.09 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.09 1pgj s THR 173 Cb -0.04 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 1pgj s THR 173 CO 0.03 0.00 1.28 -0.32 -2.21 0.00 0.00 174.62 173.40 1pgj s MET 174 N -0.87 4.24 0.21 7.08 1.75 -1.26 -3.91 119.30 126.54 1pgj s MET 174 Ca 0.00 1.70 0.24 0.00 -1.25 0.00 0.00 55.69 56.37 1pgj s MET 174 Cb -0.01 -3.76 0.29 0.00 2.84 0.00 0.00 34.83 34.18 1pgj s MET 174 CO -0.01 -0.70 1.33 -0.91 -0.65 0.00 0.00 175.02 174.09 1pgj h ASN 175 N 8.23 0.00 -4.19 1.11 2.35 -1.11 -3.46 115.58 118.50 1pgj h ASN 175 Ca -0.28 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1pgj h ASN 175 Cb 1.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1pgj h ASN 175 CO 0.96 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 177.40 1pgj n GLY 176 N 1.24 0.95 3.69 2.83 0.00 -1.25 -3.86 105.19 108.79 1pgj n GLY 176 Ca 0.03 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1pgj n GLY 176 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pgj s SER 177 N -1.33 2.74 0.84 1.61 1.04 -1.04 -1.35 113.70 116.21 1pgj s SER 177 Ca 0.00 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1pgj s SER 177 Cb 0.00 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1pgj s SER 177 CO 0.00 -3.06 0.00 0.61 0.98 0.00 0.00 173.24 171.77 1pgj n GLY 178 N -1.22 3.03 0.48 7.32 0.00 -1.26 -2.08 105.19 111.45 1pgj n GLY 178 Ca 0.05 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.19 1pgj n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pgj n GLY 179 N 0.00 0.41 0.35 -0.02 0.00 -1.26 -3.15 105.19 101.52 1pgj n GLY 179 Ca 0.00 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.97 1pgj n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgj h ALA 180 N 3.10 1.77 -0.16 4.61 0.00 -1.67 0.13 119.26 127.04 1pgj h ALA 180 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1pgj h ALA 180 Cb 0.42 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1pgj h ALA 180 CO 0.03 -0.20 -0.17 0.78 0.00 0.00 0.00 179.25 179.70 1pgj h GLY 181 N 0.65 0.44 2.00 0.00 0.00 -1.73 -2.42 103.07 102.00 1pgj h GLY 181 Ca 0.62 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 1pgj h GLY 181 CO -0.43 0.41 -0.16 1.76 0.00 0.00 0.00 176.54 178.12 1pgj h SER 182 N 0.04 0.00 -0.02 0.19 0.02 -1.38 -2.00 113.55 110.39 1pgj h SER 182 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1pgj h SER 182 Cb 0.71 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.25 1pgj h SER 182 CO 0.04 0.16 -0.07 0.00 -1.14 0.00 0.00 176.83 175.83 1pgj h VAL 184 N -0.48 1.04 -0.79 0.00 2.07 -1.18 -0.54 116.25 116.38 1pgj h VAL 184 Ca -0.00 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1pgj h VAL 184 Cb 0.68 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1pgj h VAL 184 CO 0.01 0.17 0.31 0.50 0.02 0.00 0.00 177.57 178.58 1pgj h LYS 185 N 0.91 1.18 0.45 1.57 3.11 -1.34 0.63 116.57 123.08 1pgj h LYS 185 Ca 0.34 -0.22 -0.02 0.00 -2.81 0.00 0.00 60.65 57.95 1pgj h LYS 185 Cb 0.14 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.18 1pgj h LYS 185 CO -0.16 0.96 -0.25 1.98 -2.81 0.00 0.00 179.45 179.16 1pgj h MET 186 N 1.14 -0.64 0.00 1.90 4.05 -0.10 -0.59 114.93 120.70 1pgj h MET 186 Ca 0.26 0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.68 1pgj h MET 186 Cb 0.22 0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1pgj h MET 186 CO -0.02 -0.42 -0.21 1.88 0.23 0.00 0.00 176.91 178.36 1pgj h TYR 187 N -0.66 0.00 0.24 1.39 0.05 -1.04 -0.76 116.97 116.19 1pgj h TYR 187 Ca -0.06 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1pgj h TYR 187 Cb 0.53 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1pgj h TYR 187 CO -0.07 0.21 -0.12 1.25 -1.05 0.00 0.00 178.16 178.38 1pgj h HIS 188 N 0.00 -0.30 0.00 4.88 -0.00 -0.36 -1.20 115.15 118.17 1pgj h HIS 188 Ca -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1pgj h HIS 188 Cb 0.52 0.10 -0.00 0.00 -0.00 0.00 0.00 27.41 28.03 1pgj h HIS 188 CO 0.00 -0.07 -0.01 -0.91 -0.00 0.00 0.00 177.93 176.94 1pgj h ASN 189 N -0.49 0.00 -0.13 3.26 -0.26 -0.32 -1.29 115.58 116.35 1pgj h ASN 189 Ca -0.03 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.68 1pgj h ASN 189 Cb 0.37 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 37.62 1pgj h ASN 189 CO 0.05 0.01 -0.04 -1.28 -1.06 0.00 0.00 177.43 175.12 1pgj h SER 190 N 0.00 0.27 0.36 5.81 0.87 -0.11 -2.29 113.55 118.45 1pgj h SER 190 Ca -0.00 -0.38 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 1pgj h SER 190 Cb 0.04 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1pgj h SER 190 CO 0.00 0.59 -0.48 1.23 -0.53 0.00 0.00 176.83 177.64 1pgj h GLY 191 N -0.06 0.17 0.70 5.77 0.00 -0.43 -2.72 103.07 106.49 1pgj h GLY 191 Ca 0.03 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.22 1pgj h GLY 191 CO 0.02 0.16 -0.04 -2.09 0.00 0.00 0.00 176.54 174.58 1pgj h GLU 192 N 0.12 -0.00 -0.01 4.80 4.81 -1.12 -0.95 114.58 122.22 1pgj h GLU 192 Ca 0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1pgj h GLU 192 Cb 0.90 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.24 1pgj h GLU 192 CO 0.07 -0.00 -0.28 1.88 -0.73 0.00 0.00 179.01 179.94 1pgj h TYR 193 N -0.00 -0.77 -0.72 0.92 -1.99 -1.11 0.10 116.97 113.40 1pgj h TYR 193 Ca 0.07 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.90 1pgj h TYR 193 Cb 0.11 0.34 -0.06 0.00 2.00 0.00 0.00 36.73 39.12 1pgj h TYR 193 CO -0.18 -0.38 0.40 0.00 -0.00 0.00 0.00 178.16 178.00 1pgj h ALA 194 N 0.37 0.98 -0.36 3.88 0.00 -1.29 -1.37 119.26 121.48 1pgj h ALA 194 Ca 0.07 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1pgj h ALA 194 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1pgj h ALA 194 CO -0.25 0.06 -0.22 0.82 0.00 0.00 0.00 179.25 179.66 1pgj h ILE 195 N 0.71 1.29 -0.83 0.00 1.08 -0.63 -1.60 117.51 117.53 1pgj h ILE 195 Ca 0.33 -1.36 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 1pgj h ILE 195 Cb 0.24 1.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.34 1pgj h ILE 195 CO -0.21 0.45 0.46 -0.07 -0.69 0.00 0.00 178.15 178.09 1pgj h LEU 196 N 0.57 1.03 -1.04 1.44 3.38 -0.65 -1.38 115.31 118.66 1pgj h LEU 196 Ca 0.07 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 1pgj h LEU 196 Cb 0.77 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1pgj h LEU 196 CO 0.06 0.82 -0.11 -0.61 0.09 0.00 0.00 178.44 178.70 1pgj h GLN 197 N 1.16 0.57 -0.67 1.13 5.75 -1.10 -0.13 115.11 121.82 1pgj h GLN 197 Ca 0.29 -0.16 -0.03 0.00 -0.15 0.00 0.00 58.65 58.59 1pgj h GLN 197 Cb 0.02 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1pgj h GLN 197 CO -0.05 0.67 0.28 0.82 -2.65 0.00 0.00 178.83 177.90 1pgj h ILE 198 N 0.52 1.24 -0.30 2.39 2.04 -0.25 0.11 117.51 123.26 1pgj h ILE 198 Ca 0.10 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1pgj h ILE 198 Cb 0.50 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1pgj h ILE 198 CO 0.03 0.29 -0.09 -0.50 0.00 0.00 0.00 178.15 177.88 1pgj h TRP 199 N 0.94 0.66 -0.99 1.37 4.06 -1.09 -1.80 115.95 119.10 1pgj h TRP 199 Ca 0.22 -0.15 0.10 0.00 2.06 0.00 0.00 58.89 61.13 1pgj h TRP 199 Cb 0.18 -0.16 -0.08 0.00 -1.00 0.00 0.00 29.16 28.10 1pgj h TRP 199 CO 0.01 0.78 0.62 0.78 -3.56 0.00 0.00 178.44 177.08 1pgj h GLY 200 N 0.34 1.58 0.95 1.49 0.00 -0.54 -0.16 103.07 106.73 1pgj h GLY 200 Ca 0.07 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 1pgj h GLY 200 CO 0.03 0.21 0.03 0.83 0.00 0.00 0.00 176.54 177.65 1pgj h GLU 201 N 1.04 0.71 -0.70 4.80 5.08 -0.59 -2.02 114.58 122.90 1pgj h GLU 201 Ca 0.47 -0.21 0.10 0.00 -1.00 0.00 0.00 59.36 58.71 1pgj h GLU 201 Cb 0.37 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.48 1pgj h GLU 201 CO -0.23 0.77 0.34 0.28 -1.00 0.00 0.00 179.01 179.16 1pgj h VAL 202 N 0.55 0.83 0.48 3.13 2.07 -0.20 0.38 116.25 123.49 1pgj h VAL 202 Ca 0.12 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1pgj h VAL 202 Cb 0.43 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1pgj h VAL 202 CO 0.01 0.10 -0.30 0.15 0.02 0.00 0.00 177.57 177.56 1pgj h PHE 203 N 0.57 -0.79 -0.57 1.57 3.57 -1.00 -1.13 116.94 119.16 1pgj h PHE 203 Ca 0.35 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.93 1pgj h PHE 203 Cb 0.38 0.28 -0.07 0.00 2.79 0.00 0.00 35.95 39.33 1pgj h PHE 203 CO -0.12 -0.46 0.16 0.22 -2.23 0.00 0.00 178.31 175.88 1pgj h ASP 204 N -0.75 0.10 -0.17 0.41 1.82 -0.47 0.23 116.42 117.60 1pgj h ASP 204 Ca -0.05 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1pgj h ASP 204 Cb 0.61 0.10 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 1pgj h ASP 204 CO 0.05 0.07 0.10 0.40 -1.61 0.00 0.00 179.24 178.25 1pgj h ILE 205 N 0.32 1.08 -0.49 2.25 2.04 -0.05 -0.96 117.51 121.69 1pgj h ILE 205 Ca 0.29 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.87 1pgj h ILE 205 Cb 0.38 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1pgj h ILE 205 CO -0.33 0.07 -0.07 -0.07 0.00 0.00 0.00 178.15 177.74 1pgj h LEU 206 N 0.20 0.86 -0.85 1.44 3.38 -0.81 -0.87 115.31 118.66 1pgj h LEU 206 Ca 0.06 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1pgj h LEU 206 Cb 0.03 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1pgj h LEU 206 CO -0.01 0.96 0.08 0.03 0.09 0.00 0.00 178.44 179.59 1pgj h ARG 207 N 0.79 0.94 -0.58 1.13 2.47 -0.70 -1.30 114.38 117.12 1pgj h ARG 207 Ca 0.14 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.57 1pgj h ARG 207 Cb 0.58 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 1pgj h ARG 207 CO 0.04 0.88 0.15 0.00 0.56 0.00 0.00 179.97 181.60 1pgj h ALA 208 N 1.20 0.77 0.00 0.04 0.00 -0.90 -2.08 119.26 118.28 1pgj h ALA 208 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1pgj h ALA 208 Cb 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1pgj h ALA 208 CO 0.01 0.46 0.00 -1.33 0.00 0.00 0.00 179.25 178.39 1pgj n MET 209 N -4.38 0.74 0.00 0.00 2.81 -0.35 -4.81 117.12 111.12 1pgj n MET 209 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 1pgj n MET 209 Cb 0.23 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 1pgj n MET 209 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pgj n GLY 210 N 0.35 0.45 3.80 3.03 0.00 -0.78 -1.37 105.19 110.67 1pgj n GLY 210 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1pgj n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pgj s LEU 211 N 0.00 4.12 0.54 0.99 1.02 -0.56 -5.00 118.68 119.79 1pgj s LEU 211 Ca 0.00 1.79 0.05 0.00 0.02 0.00 0.00 54.13 55.98 1pgj s LEU 211 Cb 0.00 -4.29 0.05 0.00 0.02 0.00 0.00 46.19 41.97 1pgj s LEU 211 CO 0.00 -0.26 0.75 0.54 0.02 0.00 0.00 176.35 177.40 1pgj s ASN 212 N -1.89 5.21 0.36 2.29 2.20 -1.26 -4.24 114.94 117.60 1pgj s ASN 212 Ca 0.57 -0.36 0.11 0.00 -0.94 0.00 0.00 52.86 52.24 1pgj s ASN 212 Cb -0.14 -0.44 0.89 0.00 -2.00 0.00 0.00 41.25 39.55 1pgj s ASN 212 CO 0.19 -1.18 1.82 0.78 -2.94 0.00 0.00 177.10 175.77 1pgj h ASN 213 N 0.17 0.62 -0.22 3.54 4.21 -1.97 -1.87 115.58 120.06 1pgj h ASN 213 Ca -0.38 0.07 -0.05 0.00 1.21 0.00 0.00 56.30 57.14 1pgj h ASN 213 Cb 1.29 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 1pgj h ASN 213 CO 0.46 0.25 -0.07 0.44 -1.29 0.00 0.00 177.43 177.21 1pgj h ASP 214 N 0.62 0.45 0.05 5.81 3.32 -1.95 -2.87 116.42 121.86 1pgj h ASP 214 Ca 0.52 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1pgj h ASP 214 Cb 0.98 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 1pgj h ASP 214 CO -0.27 0.73 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.53 1pgj h GLU 215 N 0.17 0.17 0.15 3.56 5.08 -1.74 -2.31 114.58 119.65 1pgj h GLU 215 Ca 0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1pgj h GLU 215 Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1pgj h GLU 215 CO 0.03 0.30 -0.07 0.28 -1.00 0.00 0.00 179.01 178.55 1pgj h VAL 216 N 0.16 0.99 -0.95 3.13 2.07 -1.42 -2.96 116.25 117.26 1pgj h VAL 216 Ca 0.03 -0.63 0.18 0.00 0.82 0.00 0.00 66.70 67.11 1pgj h VAL 216 Cb 0.33 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 1pgj h VAL 216 CO 0.02 0.15 0.61 0.00 0.02 0.00 0.00 177.57 178.36 1pgj h ALA 217 N 0.30 1.86 -0.26 1.67 0.00 -1.24 0.28 119.26 121.87 1pgj h ALA 217 Ca -0.02 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1pgj h ALA 217 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1pgj h ALA 217 CO 0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 179.25 179.03 1pgj h ALA 218 N 1.61 1.39 -0.00 0.00 0.00 -1.27 0.24 119.26 121.23 1pgj h ALA 218 Ca 0.51 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 1pgj h ALA 218 Cb 0.91 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1pgj h ALA 218 CO -0.27 0.42 -0.86 -0.24 0.00 0.00 0.00 179.25 178.30 1pgj h VAL 219 N 0.39 1.48 -0.33 0.00 3.04 -0.35 -0.31 116.25 120.17 1pgj h VAL 219 Ca 0.08 -2.57 -0.04 0.00 -1.01 0.00 0.00 66.70 63.16 1pgj h VAL 219 Cb 0.39 2.43 -0.01 0.00 -2.01 0.00 0.00 31.29 32.09 1pgj h VAL 219 CO 0.02 0.75 0.07 -0.07 -1.01 0.00 0.00 177.57 177.33 1pgj h LEU 220 N 0.12 0.52 -1.33 3.16 4.07 -0.63 0.24 115.31 121.46 1pgj h LEU 220 Ca -0.04 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.68 1pgj h LEU 220 Cb 1.48 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 43.05 1pgj h LEU 220 CO 0.13 0.63 0.45 -0.33 -1.08 0.00 0.00 178.44 178.25 1pgj h GLU 221 N 0.38 0.90 -0.27 1.13 5.08 -0.50 0.23 114.58 121.52 1pgj h GLU 221 Ca 0.10 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.28 1pgj h GLU 221 Cb 0.32 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1pgj h GLU 221 CO 0.00 0.59 -0.33 0.22 -1.00 0.00 0.00 179.01 178.49 1pgj h ASP 222 N 0.92 0.77 0.07 1.42 1.82 -0.48 -2.22 116.42 118.72 1pgj h ASP 222 Ca 0.25 -0.49 -0.05 0.00 -0.39 0.00 0.00 57.03 56.35 1pgj h ASP 222 Cb -0.10 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.68 1pgj h ASP 222 CO -0.05 1.11 -0.15 -0.50 -1.61 0.00 0.00 179.24 178.04 1pgj h TRP 223 N 0.45 0.17 -0.44 0.28 6.55 0.67 -1.79 115.95 121.84 1pgj h TRP 223 Ca 0.04 -0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.78 1pgj h TRP 223 Cb 0.91 -0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 29.15 1pgj h TRP 223 CO 0.08 0.31 -0.03 -0.22 -1.05 0.00 0.00 178.44 177.53 1pgj h LYS 224 N 0.16 0.80 0.00 0.49 3.64 -0.41 -2.82 116.57 118.43 1pgj h LYS 224 Ca 0.03 -0.27 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1pgj h LYS 224 Cb 0.36 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1pgj h LYS 224 CO 0.02 0.88 -0.25 0.66 -2.27 0.00 0.00 179.45 178.49 1pgj h SER 225 N 0.64 0.00 0.43 4.20 4.64 -0.73 -1.52 113.55 121.22 1pgj h SER 225 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1pgj h SER 225 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1pgj h SER 225 CO 0.03 0.25 0.00 0.29 -0.87 0.00 0.00 176.83 176.53 1pgj n LYS 226 N -3.62 0.14 0.00 4.77 5.02 -0.78 -4.91 118.16 118.77 1pgj n LYS 226 Ca -0.01 0.16 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1pgj n LYS 226 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1pgj n LYS 226 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1pgj n ASN 227 N -1.38 0.00 -0.34 4.39 5.15 -0.57 -4.81 115.26 117.70 1pgj n ASN 227 Ca 0.06 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.09 1pgj n ASN 227 Cb 0.16 0.00 0.21 0.00 -0.53 0.00 0.00 39.78 39.63 1pgj n ASN 227 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1pgj h PHE 228 N 0.00 1.13 -0.24 1.20 3.57 -1.85 -2.57 116.94 118.18 1pgj h PHE 228 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pgj h PHE 228 Cb 0.00 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.37 1pgj h PHE 228 CO 0.00 0.56 0.00 1.28 -2.23 0.00 0.00 178.31 177.92 1pgj n LEU 229 N -4.52 2.42 -4.60 0.59 4.77 -1.26 -4.06 117.00 110.34 1pgj n LEU 229 Ca 0.16 -1.01 -0.50 0.00 -0.03 0.00 0.00 56.01 54.62 1pgj n LEU 229 Cb 0.23 -0.15 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1pgj n LEU 229 CO 0.31 0.51 1.60 1.17 -1.33 0.00 0.00 177.39 179.65 1pgj n LYS 230 N 0.83 1.64 -3.71 3.23 4.81 -0.97 -4.77 118.16 119.20 1pgj n LYS 230 Ca 0.17 0.55 -0.09 0.00 -0.87 0.00 0.00 58.31 58.07 1pgj n LYS 230 Cb 0.45 -2.56 -0.03 0.00 0.02 0.00 0.00 35.03 32.91 1pgj n LYS 230 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1pgj s SER 231 N 5.47 -0.32 0.05 3.14 1.04 -1.26 -0.64 113.70 121.19 1pgj s SER 231 Ca 1.00 -0.43 -0.25 0.00 0.48 0.00 0.00 55.95 56.75 1pgj s SER 231 Cb -0.77 0.62 -0.17 0.00 0.10 0.00 0.00 66.02 65.80 1pgj s SER 231 CO 0.52 -1.11 1.56 0.22 0.98 0.00 0.00 173.24 175.41 1pgj h TYR 232 N 2.11 -0.11 -0.76 5.02 3.20 -1.79 -1.80 116.97 122.83 1pgj h TYR 232 Ca -0.27 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.71 1pgj h TYR 232 Cb 1.27 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 1pgj h TYR 232 CO 0.35 0.07 0.50 0.52 -1.64 0.00 0.00 178.16 177.96 1pgj h MET 233 N -0.27 0.58 -0.01 1.82 2.86 -1.84 0.02 114.93 118.08 1pgj h MET 233 Ca -0.01 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1pgj h MET 233 Cb 0.23 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1pgj h MET 233 CO 0.02 0.38 0.00 1.25 1.06 0.00 0.00 176.91 179.63 1pgj h LEU 234 N 0.60 0.02 -0.54 1.22 5.85 -1.75 -1.85 115.31 118.86 1pgj h LEU 234 Ca 0.36 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.94 1pgj h LEU 234 Cb 0.59 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 1pgj h LEU 234 CO -0.13 0.25 0.10 0.44 -0.34 0.00 0.00 178.44 178.76 1pgj h ASP 235 N -0.21 -0.01 0.36 1.25 3.32 -0.22 -0.13 116.42 120.78 1pgj h ASP 235 Ca 0.00 0.10 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1pgj h ASP 235 Cb 0.24 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 1pgj h ASP 235 CO 0.00 0.02 -0.27 0.16 -1.72 0.00 0.00 179.24 177.43 1pgj h ILE 236 N 0.24 1.05 -0.29 0.35 3.07 -1.01 -1.75 117.51 119.17 1pgj h ILE 236 Ca 0.28 -0.97 -0.14 0.00 1.55 0.00 0.00 64.86 65.58 1pgj h ILE 236 Cb 0.39 1.54 -0.01 0.00 -0.27 0.00 0.00 36.82 38.47 1pgj h ILE 236 CO -0.36 0.26 -0.38 0.28 -1.05 0.00 0.00 178.15 176.90 1pgj h SER 237 N 0.00 0.72 -0.36 2.16 0.02 -0.17 0.11 113.55 116.03 1pgj h SER 237 Ca -0.00 -0.32 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1pgj h SER 237 Cb 0.52 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1pgj h SER 237 CO 0.03 1.02 0.09 0.40 -1.14 0.00 0.00 176.83 177.24 1pgj h ILE 238 N 0.56 1.22 0.13 3.27 2.04 -0.65 0.61 117.51 124.70 1pgj h ILE 238 Ca 0.05 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1pgj h ILE 238 Cb 0.91 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1pgj h ILE 238 CO 0.08 0.26 -0.09 0.00 0.00 0.00 0.00 178.15 178.40 1pgj h ALA 239 N 0.93 -0.20 -0.83 1.87 0.00 -0.97 -1.49 119.26 118.57 1pgj h ALA 239 Ca 0.11 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1pgj h ALA 239 Cb 0.30 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1pgj h ALA 239 CO 0.00 -0.62 0.42 0.00 0.00 0.00 0.00 179.25 179.05 1pgj h ALA 240 N 0.65 1.23 -0.12 0.00 0.00 -0.59 0.24 119.26 120.67 1pgj h ALA 240 Ca -0.01 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.78 1pgj h ALA 240 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pgj h ALA 240 CO 0.00 -0.09 -0.76 0.00 0.00 0.00 0.00 179.25 178.40 1pgj h ALA 241 N 1.54 0.44 0.00 0.00 0.00 -0.54 -3.27 119.26 117.43 1pgj h ALA 241 Ca 0.45 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1pgj h ALA 241 Cb 0.61 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pgj h ALA 241 CO -0.35 0.72 -0.33 0.00 0.00 0.00 0.00 179.25 179.29 1pgj h ARG 242 N 0.42 0.00 -6.21 0.00 3.08 -0.61 -3.43 114.38 107.63 1pgj h ARG 242 Ca -0.04 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.33 1pgj h ARG 242 Cb 1.36 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.50 1pgj h ARG 242 CO 0.14 0.33 0.03 0.00 -1.07 0.00 0.00 179.97 179.40 1pgj n ALA 243 N -2.18 -1.73 -2.53 0.04 0.00 0.01 -4.91 120.51 109.20 1pgj n ALA 243 Ca 0.03 0.48 -0.23 0.00 0.00 0.00 0.00 53.44 53.71 1pgj n ALA 243 Cb 0.66 -1.88 -0.15 0.00 0.00 0.00 0.00 19.45 18.08 1pgj n ALA 243 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1pgj s LYS 244 N -0.57 1.27 0.89 0.00 1.02 -1.26 -1.69 119.74 119.40 1pgj s LYS 244 Ca 0.73 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.97 1pgj s LYS 244 Cb -0.93 -1.25 0.12 0.00 -0.52 0.00 0.00 37.83 35.25 1pgj s LYS 244 CO 0.55 0.34 1.10 0.34 -0.92 0.00 0.00 175.35 176.75 1pgj s ASP 245 N -0.55 3.63 0.32 2.83 -1.08 0.22 -4.77 116.67 117.27 1pgj s ASP 245 Ca 0.06 1.34 0.04 0.00 -0.52 0.00 0.00 52.55 53.47 1pgj s ASP 245 Cb -0.07 -2.02 0.66 0.00 -1.46 0.00 0.00 42.92 40.03 1pgj s ASP 245 CO -0.00 -2.52 1.86 0.50 0.52 0.00 0.00 175.17 175.53 1pgj h LYS 246 N -1.47 0.85 -0.51 4.34 1.63 -2.01 0.55 116.57 119.95 1pgj h LYS 246 Ca -0.50 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.25 1pgj h LYS 246 Cb 1.29 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.73 1pgj h LYS 246 CO 0.57 0.56 0.00 -0.40 -3.45 0.00 0.00 179.45 176.73 1pgj n ASP 247 N -4.58 0.73 -1.11 4.20 5.75 -1.26 -4.87 116.55 115.41 1pgj n ASP 247 Ca 0.17 -2.02 -0.12 0.00 -0.01 0.00 0.00 54.79 52.81 1pgj n ASP 247 Cb 0.38 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1pgj n ASP 247 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pgj n GLY 248 N 0.30 0.58 3.68 6.12 0.00 0.18 -5.04 105.19 111.00 1pgj n GLY 248 Ca 0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 1pgj n GLY 248 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pgj s SER 249 N -2.68 4.18 0.14 1.61 1.04 -1.25 -4.86 113.70 111.89 1pgj s SER 249 Ca 0.00 -1.16 -0.31 0.00 0.48 0.00 0.00 55.95 54.96 1pgj s SER 249 Cb 0.00 -0.46 -0.08 0.00 0.10 0.00 0.00 66.02 65.58 1pgj s SER 249 CO 0.00 -0.45 1.39 -0.31 0.98 0.00 0.00 173.24 174.85 1pgj s TYR 250 N -2.62 3.22 0.21 5.02 2.02 -1.26 0.71 117.35 124.65 1pgj s TYR 250 Ca 0.38 0.97 -0.10 0.00 -0.37 0.00 0.00 57.07 57.95 1pgj s TYR 250 Cb 0.05 -3.70 0.27 0.00 -0.40 0.00 0.00 41.96 38.18 1pgj s TYR 250 CO 0.20 -2.40 1.73 1.25 -1.57 0.00 0.00 175.55 174.76 1pgj h LEU 251 N 6.49 0.16 -1.55 -1.29 5.85 -1.62 -2.57 115.31 120.78 1pgj h LEU 251 Ca -0.43 0.08 0.36 0.00 0.84 0.00 0.00 57.88 58.74 1pgj h LEU 251 Cb 1.21 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.22 1pgj h LEU 251 CO 0.85 0.10 0.82 0.71 -0.34 0.00 0.00 178.44 180.58 1pgj h THR 252 N 0.36 0.32 0.00 1.05 1.35 -1.85 0.23 112.91 114.37 1pgj h THR 252 Ca 0.30 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1pgj h THR 252 Cb 0.39 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1pgj h THR 252 CO -0.32 0.03 0.00 -0.62 -0.25 0.00 0.00 175.52 174.36 1pgj n GLU 253 N -4.52 0.11 -0.00 4.72 -0.58 -0.97 -2.36 120.64 117.04 1pgj n GLU 253 Ca 0.31 0.28 0.08 0.00 -0.42 0.00 0.00 57.16 57.41 1pgj n GLU 253 Cb 1.23 -1.68 0.07 0.00 -0.57 0.00 0.00 31.44 30.49 1pgj n GLU 253 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1pgj n HIS 254 N -1.88 0.00 -2.95 -0.32 8.25 0.79 -4.96 115.22 114.16 1pgj n HIS 254 Ca 0.04 -0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.08 1pgj n HIS 254 Cb 0.25 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 1pgj n HIS 254 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pgj s VAL 255 N -1.38 4.92 0.02 1.59 1.01 -1.00 -5.03 120.40 120.54 1pgj s VAL 255 Ca 0.19 1.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.39 1pgj s VAL 255 Cb 0.14 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.36 1pgj s VAL 255 CO 0.21 0.05 1.52 -0.32 0.00 0.00 0.00 175.10 176.56 1pgj s MET 256 N 2.06 4.24 -1.25 2.72 1.75 -1.26 -4.90 119.30 122.66 1pgj s MET 256 Ca 0.36 2.13 -0.12 0.00 -1.25 0.00 0.00 55.69 56.81 1pgj s MET 256 Cb -0.16 -3.62 -0.06 0.00 2.84 0.00 0.00 34.83 33.83 1pgj s MET 256 CO 0.12 -0.66 2.37 -0.40 -0.65 0.00 0.00 175.02 175.80 1pgj n ASP 257 N 5.62 5.37 -3.73 1.11 5.75 -1.26 -4.79 116.55 124.62 1pgj n ASP 257 Ca 0.15 -2.60 -0.26 0.00 -0.01 0.00 0.00 54.79 52.07 1pgj n ASP 257 Cb 0.42 -1.39 -0.17 0.00 -1.03 0.00 0.00 41.12 38.95 1pgj n ASP 257 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1pgj s ARG 258 N 3.27 0.52 -0.34 0.11 0.52 -1.26 -4.57 118.95 117.21 1pgj s ARG 258 Ca 0.54 -0.16 -0.17 0.00 -0.52 0.00 0.00 55.73 55.41 1pgj s ARG 258 Cb 0.14 -1.63 -0.01 0.00 0.52 0.00 0.00 34.95 33.98 1pgj s ARG 258 CO -0.03 -0.52 0.48 0.42 0.02 0.00 0.00 175.30 175.67 1pgj s ILE 259 N 1.95 5.06 0.72 1.52 1.01 -1.26 -4.96 121.20 125.23 1pgj s ILE 259 Ca 0.02 0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.89 1pgj s ILE 259 Cb -0.15 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1pgj s ILE 259 CO -0.07 -0.15 1.09 -0.83 0.00 0.00 0.00 174.94 174.98 1pgj s GLY 260 N 1.73 1.63 0.13 6.18 0.00 -1.26 -4.77 107.32 110.96 1pgj s GLY 260 Ca 0.17 -0.27 -0.15 0.00 0.00 0.00 0.00 44.72 44.47 1pgj s GLY 260 CO 0.12 0.10 0.38 -1.35 0.00 0.00 0.00 173.10 172.35 1pgj s SER 261 N -4.22 -0.19 -0.07 1.64 1.04 -1.26 -5.07 113.70 105.57 1pgj s SER 261 Ca 0.58 -0.38 0.11 0.00 0.48 0.00 0.00 55.95 56.74 1pgj s SER 261 Cb -0.12 0.46 0.16 0.00 0.10 0.00 0.00 66.02 66.63 1pgj s SER 261 CO 0.53 -0.85 1.08 0.29 0.98 0.00 0.00 173.24 175.26 1pgj n LYS 262 N -0.21 1.93 0.00 4.02 5.02 -1.26 -5.06 118.16 122.60 1pgj n LYS 262 Ca -0.15 -2.09 0.00 0.00 -2.02 0.00 0.00 58.31 54.05 1pgj n LYS 262 Cb 0.63 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1pgj n LYS 262 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pgj n GLY 263 N -1.02 3.10 0.31 0.72 0.00 -1.26 -4.93 105.19 102.11 1pgj n GLY 263 Ca 0.09 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 45.23 1pgj n GLY 263 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1pgj h THR 264 N 0.00 0.18 -0.40 2.61 1.35 -1.94 -0.17 112.91 114.54 1pgj h THR 264 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 66.41 65.88 1pgj h THR 264 Cb 0.00 0.18 -0.03 0.00 -1.73 0.00 0.00 68.15 66.57 1pgj h THR 264 CO 0.00 0.00 0.22 1.23 -0.25 0.00 0.00 175.52 176.72 1pgj h GLY 265 N -0.03 0.55 0.64 5.82 0.00 -1.84 -2.01 103.07 106.20 1pgj h GLY 265 Ca 0.35 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.59 1pgj h GLY 265 CO -0.81 0.13 0.37 -2.00 0.00 0.00 0.00 176.54 174.23 1pgj h LEU 266 N 0.45 0.54 -0.29 3.11 5.85 -1.52 -2.17 115.31 121.28 1pgj h LEU 266 Ca 0.16 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.74 1pgj h LEU 266 Cb 0.04 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1pgj h LEU 266 CO -0.09 0.34 -0.53 -0.50 -0.34 0.00 0.00 178.44 177.32 1pgj h TRP 267 N 0.68 1.08 -0.51 1.25 6.55 -0.82 -2.04 115.95 122.15 1pgj h TRP 267 Ca 0.31 -0.39 -0.00 0.00 0.95 0.00 0.00 58.89 59.76 1pgj h TRP 267 Cb 0.22 -0.20 -0.03 0.00 -0.86 0.00 0.00 29.16 28.29 1pgj h TRP 267 CO -0.08 1.21 0.31 0.77 -1.05 0.00 0.00 178.44 179.60 1pgj h SER 268 N 0.65 0.60 -0.36 -3.49 0.02 -1.13 0.15 113.55 109.99 1pgj h SER 268 Ca 0.02 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1pgj h SER 268 Cb 1.14 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1pgj h SER 268 CO 0.12 0.46 -0.10 0.00 -1.14 0.00 0.00 176.83 176.16 1pgj h ALA 269 N 1.65 0.49 -0.19 3.77 0.00 -1.17 -0.88 119.26 122.93 1pgj h ALA 269 Ca 0.18 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1pgj h ALA 269 Cb -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1pgj h ALA 269 CO -0.04 0.36 -0.40 1.96 0.00 0.00 0.00 179.25 181.14 1pgj h GLN 270 N 0.49 0.43 0.03 0.00 4.20 -0.56 -2.27 115.11 117.42 1pgj h GLN 270 Ca 0.09 -0.21 -0.24 0.00 0.06 0.00 0.00 58.65 58.34 1pgj h GLN 270 Cb 0.62 -0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.41 1pgj h GLN 270 CO 0.04 0.76 -1.02 0.93 -0.67 0.00 0.00 178.83 178.87 1pgj h GLU 271 N 0.36 0.46 -1.00 1.46 4.39 -0.59 0.08 114.58 119.74 1pgj h GLU 271 Ca 0.03 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.24 1pgj h GLU 271 Cb 0.86 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.61 1pgj h GLU 271 CO 0.07 1.18 0.66 0.00 -1.16 0.00 0.00 179.01 179.76 1pgj h ALA 272 N 0.63 1.36 -0.21 3.43 0.00 -1.08 0.20 119.26 123.59 1pgj h ALA 272 Ca -0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1pgj h ALA 272 Cb 1.67 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pgj h ALA 272 CO 0.18 0.54 -0.16 1.25 0.00 0.00 0.00 179.25 181.06 1pgj h LEU 273 N 1.25 0.50 0.02 0.00 5.85 -1.33 -1.06 115.31 120.55 1pgj h LEU 273 Ca 0.41 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1pgj h LEU 273 Cb 0.03 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1pgj h LEU 273 CO -0.13 0.85 -0.05 -0.08 -0.34 0.00 0.00 178.44 178.68 1pgj h GLU 274 N 0.16 -0.08 0.00 1.25 4.57 0.50 -2.15 114.58 118.83 1pgj h GLU 274 Ca 0.04 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1pgj h GLU 274 Cb 0.69 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1pgj h GLU 274 CO 0.04 -0.05 0.00 0.44 -1.18 0.00 0.00 179.01 178.26 1pgj n ILE 275 N -2.70 1.24 -0.68 2.32 -5.35 0.55 -4.88 119.36 109.87 1pgj n ILE 275 Ca -0.01 0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.89 1pgj n ILE 275 Cb 0.04 -1.33 0.00 0.00 -1.74 0.00 0.00 39.64 36.61 1pgj n ILE 275 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pgj n GLY 276 N -0.68 0.66 3.73 3.28 0.00 -0.49 -5.04 105.19 106.65 1pgj n GLY 276 Ca 0.01 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1pgj n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pgj s VAL 277 N -2.00 4.64 -0.05 1.61 1.01 -0.70 -4.98 120.40 119.94 1pgj s VAL 277 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.55 1pgj s VAL 277 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1pgj s VAL 277 CO 0.00 0.32 1.29 -2.16 0.00 0.00 0.00 175.10 174.55 1pgj s PRO 278 N 0.08 4.31 -0.41 2.72 0.04 -1.26 -4.52 135.00 135.96 1pgj s PRO 278 Ca 0.44 1.79 0.08 0.00 0.04 0.00 0.00 61.00 63.34 1pgj s PRO 278 Cb -0.22 -3.60 0.25 0.00 0.04 0.00 0.00 34.50 30.97 1pgj s PRO 278 CO 0.26 -0.53 0.60 0.00 0.04 0.00 0.00 177.00 177.37 1pgj n ALA 279 N 5.47 1.61 -0.17 8.56 0.00 -1.26 -4.93 120.51 129.79 1pgj n ALA 279 Ca 0.12 -2.96 -0.05 0.00 0.00 0.00 0.00 53.44 50.55 1pgj n ALA 279 Cb 0.45 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 19.02 1pgj n ALA 279 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1pgj h PRO 280 N 4.03 0.53 -0.63 0.00 0.13 -1.91 -2.50 132.00 131.64 1pgj h PRO 280 Ca 0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1pgj h PRO 280 Cb 0.91 -0.12 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 1pgj h PRO 280 CO 0.43 0.35 0.29 0.77 -0.23 0.00 0.00 178.00 179.61 1pgj h SER 281 N 0.54 0.82 -0.00 1.44 0.02 -1.91 -0.60 113.55 113.86 1pgj h SER 281 Ca 0.22 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1pgj h SER 281 Cb 0.09 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 1pgj h SER 281 CO -0.13 0.71 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.96 1pgj h LEU 282 N 0.90 0.39 0.03 5.07 3.38 -1.81 -2.22 115.31 121.04 1pgj h LEU 282 Ca 0.22 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1pgj h LEU 282 Cb 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pgj h LEU 282 CO -0.03 0.63 -0.01 0.78 0.09 0.00 0.00 178.44 179.90 1pgj h ASN 283 N 0.35 -0.03 0.17 -0.43 2.35 -0.95 -3.22 115.58 113.83 1pgj h ASN 283 Ca 0.06 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1pgj h ASN 283 Cb 0.60 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1pgj h ASN 283 CO 0.04 0.76 0.00 0.24 -1.65 0.00 0.00 177.43 176.82 1pgj h MET 284 N -0.88 0.00 -0.27 0.81 2.86 -1.16 -0.87 114.93 115.42 1pgj h MET 284 Ca -0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1pgj h MET 284 Cb 0.74 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.39 1pgj h MET 284 CO 0.01 0.00 -0.35 0.00 1.06 0.00 0.00 176.91 177.63 1pgj h ALA 285 N 2.05 0.40 -0.21 6.32 0.00 -1.40 0.34 119.26 126.76 1pgj h ALA 285 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1pgj h ALA 285 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1pgj h ALA 285 CO 0.00 0.47 -0.22 0.28 0.00 0.00 0.00 179.25 179.78 1pgj h VAL 286 N 0.44 1.33 -0.91 0.00 2.07 -1.28 -3.04 116.25 114.86 1pgj h VAL 286 Ca 0.03 -1.38 0.05 0.00 0.82 0.00 0.00 66.70 66.22 1pgj h VAL 286 Cb 0.93 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.39 1pgj h VAL 286 CO 0.08 0.42 0.58 0.58 0.02 0.00 0.00 177.57 179.26 1pgj h VAL 287 N 0.20 1.10 -0.87 2.57 2.07 -1.17 0.00 116.25 120.15 1pgj h VAL 287 Ca 0.03 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.27 1pgj h VAL 287 Cb 0.77 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1pgj h VAL 287 CO 0.05 0.20 0.57 0.77 0.02 0.00 0.00 177.57 179.18 1pgj h SER 288 N 1.09 0.80 -0.22 0.57 4.64 -0.84 0.20 113.55 119.78 1pgj h SER 288 Ca 0.38 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.55 1pgj h SER 288 Cb 0.09 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1pgj h SER 288 CO -0.15 0.48 -0.51 0.03 -0.87 0.00 0.00 176.83 175.82 1pgj h ARG 289 N 0.89 0.74 -0.95 4.77 3.08 -0.94 -2.83 114.38 119.13 1pgj h ARG 289 Ca 0.40 -0.50 0.08 0.00 0.07 0.00 0.00 59.98 60.03 1pgj h ARG 289 Cb 0.36 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 1pgj h ARG 289 CO -0.16 1.12 0.62 1.96 -1.07 0.00 0.00 179.97 182.43 1pgj h GLN 290 N 0.47 1.02 -0.32 0.04 4.20 0.24 -0.53 115.11 120.23 1pgj h GLN 290 Ca 0.00 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.72 1pgj h GLN 290 Cb 1.12 -0.23 -0.07 0.00 0.30 0.00 0.00 27.48 28.60 1pgj h GLN 290 CO 0.11 0.67 -0.15 0.74 -0.67 0.00 0.00 178.83 179.54 1pgj h PHE 291 N 1.05 -0.36 -0.31 2.96 0.04 -0.43 -2.72 116.94 117.17 1pgj h PHE 291 Ca 0.43 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.22 1pgj h PHE 291 Cb 0.28 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1pgj h PHE 291 CO -0.00 -0.22 0.15 1.79 -0.60 0.00 0.00 178.31 179.43 1pgj h THR 292 N -0.10 1.15 -0.33 -1.55 1.35 -1.02 -2.53 112.91 109.89 1pgj h THR 292 Ca 0.16 -0.42 0.10 0.00 -0.55 0.00 0.00 66.41 65.69 1pgj h THR 292 Cb 0.34 0.86 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1pgj h THR 292 CO -0.38 0.15 0.49 0.24 -0.25 0.00 0.00 175.52 175.77 1pgj h MET 293 N 0.37 0.00 -1.54 4.72 2.86 -1.02 -1.86 114.93 118.45 1pgj h MET 293 Ca 0.11 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.27 1pgj h MET 293 Cb 0.11 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.58 1pgj h MET 293 CO -0.01 0.00 0.56 0.66 1.06 0.00 0.00 176.91 179.18 1pgj n TYR 294 N -3.41 2.05 -0.09 -0.22 4.02 -0.95 -4.60 117.16 113.96 1pgj n TYR 294 Ca 0.06 -2.23 -0.06 0.00 -0.01 0.00 0.00 57.90 55.65 1pgj n TYR 294 Cb 0.63 -1.18 -0.00 0.00 -0.02 0.00 0.00 39.34 38.77 1pgj n TYR 294 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1pgj h LYS 295 N 2.05 -0.10 -0.22 -0.72 1.63 -1.53 -0.61 116.57 117.06 1pgj h LYS 295 Ca 0.41 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.25 1pgj h LYS 295 Cb 0.78 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.40 1pgj h LYS 295 CO 1.03 -0.07 -0.02 1.15 -3.45 0.00 0.00 179.45 178.09 1pgj h THR 296 N -0.10 0.81 -0.34 1.00 2.02 -1.89 -0.41 112.91 114.00 1pgj h THR 296 Ca 0.17 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1pgj h THR 296 Cb 0.36 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1pgj h THR 296 CO -0.39 0.01 0.18 -0.08 0.37 0.00 0.00 175.52 175.61 1pgj h GLU 297 N 0.04 0.48 -0.96 6.66 4.81 -1.81 -1.50 114.58 122.30 1pgj h GLU 297 Ca 0.11 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1pgj h GLU 297 Cb 0.15 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1pgj h GLU 297 CO -0.20 0.41 0.63 0.00 -0.73 0.00 0.00 179.01 179.11 1pgj h ARG 298 N 0.43 1.16 -0.69 1.92 3.08 -0.77 0.26 114.38 119.77 1pgj h ARG 298 Ca 0.12 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1pgj h ARG 298 Cb 0.07 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 1pgj h ARG 298 CO -0.02 0.77 0.13 1.96 -1.07 0.00 0.00 179.97 181.74 1pgj h GLN 299 N 1.20 1.12 -0.06 0.04 4.20 -0.75 -1.89 115.11 118.97 1pgj h GLN 299 Ca 0.39 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1pgj h GLN 299 Cb 0.03 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 1pgj h GLN 299 CO -0.13 1.01 -0.01 0.00 -0.67 0.00 0.00 178.83 179.03 1pgj h ALA 300 N 1.06 0.08 -0.98 3.87 0.00 -0.53 -2.38 119.26 120.38 1pgj h ALA 300 Ca 0.21 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.03 1pgj h ALA 300 Cb 0.42 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1pgj h ALA 300 CO 0.01 -0.22 0.62 -0.91 0.00 0.00 0.00 179.25 178.75 1pgj h ASN 301 N -0.21 0.93 -0.15 0.00 2.35 -0.88 -1.46 115.58 116.17 1pgj h ASN 301 Ca 0.02 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1pgj h ASN 301 Cb 0.38 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 1pgj h ASN 301 CO 0.00 0.53 0.09 0.00 -1.65 0.00 0.00 177.43 176.40 1pgj h ALA 302 N 1.50 0.19 -0.75 -0.83 0.00 -1.22 -1.97 119.26 116.18 1pgj h ALA 302 Ca 0.47 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.37 1pgj h ALA 302 Cb 0.38 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1pgj h ALA 302 CO -0.24 -0.30 0.47 0.77 0.00 0.00 0.00 179.25 179.95 1pgj h SER 303 N 0.16 0.78 0.36 0.00 0.02 -0.77 -1.91 113.55 112.20 1pgj h SER 303 Ca 0.05 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1pgj h SER 303 Cb 0.03 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1pgj h SER 303 CO -0.01 0.54 -0.24 0.78 -1.14 0.00 0.00 176.83 176.76 1pgj h ASN 304 N 0.93 0.00 -2.09 3.07 2.35 -1.12 -3.34 115.58 115.37 1pgj h ASN 304 Ca 0.30 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.49 1pgj h ASN 304 Cb 0.01 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 38.01 1pgj h ASN 304 CO -0.11 0.24 -1.02 0.00 -1.65 0.00 0.00 177.43 174.89 1pgj n ALA 305 N -2.41 2.44 -1.64 -0.83 0.00 -0.76 -5.10 120.51 112.21 1pgj n ALA 305 Ca -0.02 -3.16 -0.50 0.00 0.00 0.00 0.00 53.44 49.76 1pgj n ALA 305 Cb 0.32 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 1pgj n ALA 305 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pgj n PRO 306 N 2.10 1.63 -4.24 0.00 -0.02 -0.77 -2.80 135.00 130.90 1pgj n PRO 306 Ca 0.25 0.59 -0.34 0.00 -2.02 0.00 0.00 63.50 61.98 1pgj n PRO 306 Cb 0.51 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.64 1pgj n PRO 306 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pgj n GLY 307 N 3.16 -0.32 0.17 -1.23 0.00 -1.26 -4.85 105.19 100.85 1pgj n GLY 307 Ca 0.19 0.13 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 1pgj n GLY 307 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1pgj h ILE 308 N -1.52 1.39 0.00 -0.61 2.10 -1.89 -3.19 117.51 113.80 1pgj h ILE 308 Ca -0.61 -2.26 0.00 0.00 1.08 0.00 0.00 64.86 63.07 1pgj h ILE 308 Cb 1.39 2.22 0.00 0.00 -1.09 0.00 0.00 36.82 39.34 1pgj h ILE 308 CO 0.75 0.68 0.00 0.35 -1.08 0.00 0.00 178.15 178.85 1pgj n THR 309 N -3.80 0.21 -1.59 2.19 -2.24 -1.26 -4.92 114.28 102.87 1pgj n THR 309 Ca -0.05 0.05 -0.52 0.00 -2.27 0.00 0.00 64.05 61.26 1pgj n THR 309 Cb 0.75 -0.72 -0.06 0.00 -2.10 0.00 0.00 70.33 68.20 1pgj n THR 309 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1pgj n GLN 310 N -1.16 1.17 -4.57 -0.78 7.27 -1.21 -4.83 117.38 113.28 1pgj n GLN 310 Ca 0.12 0.42 -0.26 0.00 0.07 0.00 0.00 57.00 57.36 1pgj n GLN 310 Cb 0.12 -2.07 -0.11 0.00 2.41 0.00 0.00 30.24 30.60 1pgj n GLN 310 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1pgj s SER 311 N 0.51 3.35 0.55 1.69 1.04 -1.26 -5.04 113.70 114.54 1pgj s SER 311 Ca 0.84 -1.39 0.32 0.00 0.48 0.00 0.00 55.95 56.21 1pgj s SER 311 Cb -0.95 -0.23 1.58 0.00 0.10 0.00 0.00 66.02 66.52 1pgj s SER 311 CO 0.47 -0.53 2.09 1.55 0.98 0.00 0.00 173.24 177.79 1pgj h PRO 312 N 1.87 0.00 0.00 4.02 0.13 -1.80 -3.49 132.00 132.72 1pgj h PRO 312 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1pgj h PRO 312 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1pgj h PRO 312 CO 0.76 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 1pgj n GLY 313 N -0.48 -1.42 3.15 1.56 0.00 -0.56 -4.99 105.19 102.44 1pgj n GLY 313 Ca -0.01 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.51 1pgj n GLY 313 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pgj s TYR 314 N -1.31 -1.15 -0.14 1.61 6.14 -1.26 -4.82 117.35 116.42 1pgj s TYR 314 Ca 0.00 0.71 -0.17 0.00 0.64 0.00 0.00 57.07 58.25 1pgj s TYR 314 Cb 0.00 0.21 -0.04 0.00 0.42 0.00 0.00 41.96 42.55 1pgj s TYR 314 CO 0.00 -0.67 0.44 0.99 0.64 0.00 0.00 175.55 176.95 1pgj s THR 315 N 2.90 5.21 0.04 4.34 2.01 -1.26 -4.38 115.64 124.49 1pgj s THR 315 Ca 0.18 0.85 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 1pgj s THR 315 Cb -0.06 -3.77 -0.07 0.00 0.01 0.00 0.00 72.50 68.61 1pgj s THR 315 CO -0.24 0.33 1.47 -0.76 -0.69 0.00 0.00 174.62 174.73 1pgj s LEU 316 N 0.68 4.34 0.12 4.42 1.43 -0.47 -4.93 118.68 124.27 1pgj s LEU 316 Ca 0.23 2.25 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 1pgj s LEU 316 Cb -0.15 -3.57 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 1pgj s LEU 316 CO 0.09 -0.76 1.40 0.50 0.23 0.00 0.00 176.35 177.81 1pgj h LYS 317 N 7.80 0.89 -3.76 1.70 3.64 -1.96 -3.39 116.57 121.48 1pgj h LYS 317 Ca -0.40 -0.57 -0.68 0.00 -1.27 0.00 0.00 60.65 57.74 1pgj h LYS 317 Cb 1.19 0.07 -0.37 0.00 -0.41 0.00 0.00 32.23 32.71 1pgj h LYS 317 CO 0.90 1.20 -0.51 1.21 -2.27 0.00 0.00 179.45 179.99 1pgj s ASN 318 N -6.96 4.91 0.00 4.20 3.84 -1.26 -4.97 114.94 114.70 1pgj s ASN 318 Ca -0.11 -2.72 0.00 0.00 0.21 0.00 0.00 52.86 50.24 1pgj s ASN 318 Cb 0.10 -1.76 0.00 0.00 -0.55 0.00 0.00 41.25 39.04 1pgj s ASN 318 CO 0.89 -0.35 0.78 0.29 -2.79 0.00 0.00 177.10 175.92 1pgj n LYS 319 N 3.59 0.91 -4.20 0.43 5.02 -1.26 -4.54 118.16 118.11 1pgj n LYS 319 Ca 0.05 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 1pgj n LYS 319 Cb 0.37 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.13 1pgj n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pgj s SER 320 N 0.69 4.92 0.66 4.39 0.15 -1.26 -4.99 113.70 118.26 1pgj s SER 320 Ca 0.00 -0.17 0.28 0.00 0.70 0.00 0.00 55.95 56.76 1pgj s SER 320 Cb 0.00 -1.16 1.54 0.00 -1.71 0.00 0.00 66.02 64.69 1pgj s SER 320 CO 0.00 0.20 1.87 -0.65 1.20 0.00 0.00 173.24 175.87 1pgj h PRO 321 N 3.72 0.00 -0.01 5.44 0.11 -1.91 0.93 132.00 140.29 1pgj h PRO 321 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pgj h PRO 321 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pgj h PRO 321 CO 0.58 0.00 -0.16 -1.13 -0.21 0.00 0.00 178.00 177.08 1pgj n SER 322 N -2.92 1.13 -4.73 -2.05 3.41 -1.26 -4.57 113.62 102.64 1pgj n SER 322 Ca -0.01 -1.07 -0.39 0.00 -0.26 0.00 0.00 58.87 57.13 1pgj n SER 322 Cb 0.43 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.48 1pgj n SER 322 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pgj n GLY 323 N 1.28 0.70 0.26 5.00 0.00 0.32 -4.88 105.19 107.86 1pgj n GLY 323 Ca 0.15 0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.29 1pgj n GLY 323 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pgj h PRO 324 N 1.73 0.31 -0.30 1.61 0.13 -1.89 -2.34 132.00 131.24 1pgj h PRO 324 Ca -0.50 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.43 1pgj h PRO 324 Cb 1.30 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 1pgj h PRO 324 CO 0.58 0.20 -0.52 0.93 -0.23 0.00 0.00 178.00 178.96 1pgj h GLU 325 N 0.32 0.89 0.00 0.86 3.07 -1.94 -2.59 114.58 115.18 1pgj h GLU 325 Ca 0.37 -0.55 -0.02 0.00 -0.50 0.00 0.00 59.36 58.67 1pgj h GLU 325 Cb 0.58 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 1pgj h GLU 325 CO -0.43 1.19 -0.08 0.82 -1.40 0.00 0.00 179.01 179.10 1pgj h ILE 326 N 0.69 0.70 0.00 3.13 2.04 -1.77 0.28 117.51 122.57 1pgj h ILE 326 Ca 0.02 -0.33 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 1pgj h ILE 326 Cb 1.13 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1pgj h ILE 326 CO 0.12 0.08 -0.50 0.11 0.00 0.00 0.00 178.15 177.96 1pgj h LYS 327 N 0.00 0.00 -0.27 2.37 1.57 -1.14 -1.71 116.57 117.39 1pgj h LYS 327 Ca -0.00 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.62 1pgj h LYS 327 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 1pgj h LYS 327 CO 0.01 0.50 -0.49 1.96 -0.57 0.00 0.00 179.45 180.86 1pgj h GLN 328 N 0.00 0.73 -0.30 3.15 4.20 -0.15 -2.92 115.11 119.82 1pgj h GLN 328 Ca -0.00 -0.43 -0.06 0.00 0.06 0.00 0.00 58.65 58.22 1pgj h GLN 328 Cb 1.26 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1pgj h GLN 328 CO 0.06 1.05 -0.05 1.25 -0.67 0.00 0.00 178.83 180.47 1pgj h LEU 329 N 0.57 0.56 -0.40 1.46 5.85 -0.87 -2.65 115.31 119.83 1pgj h LEU 329 Ca 0.03 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.45 1pgj h LEU 329 Cb 1.06 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.85 1pgj h LEU 329 CO 0.10 0.78 -0.50 0.22 -0.34 0.00 0.00 178.44 178.71 1pgj h TYR 330 N 0.33 -1.49 -0.71 1.25 3.20 -1.15 0.55 116.97 118.95 1pgj h TYR 330 Ca 0.08 0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.07 1pgj h TYR 330 Cb 0.52 0.70 -0.04 0.00 1.54 0.00 0.00 36.73 39.46 1pgj h TYR 330 CO 0.05 -0.47 0.47 -0.44 -1.64 0.00 0.00 178.16 176.12 1pgj h ASP 331 N -0.37 0.70 0.54 -2.11 3.32 -1.41 -1.02 116.42 116.07 1pgj h ASP 331 Ca 0.10 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1pgj h ASP 331 Cb 0.60 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1pgj h ASP 331 CO -0.58 0.47 -0.27 0.28 -1.72 0.00 0.00 179.24 177.42 1pgj h SER 332 N 0.81 -0.64 -0.20 6.45 0.02 -0.80 -1.87 113.55 117.32 1pgj h SER 332 Ca 0.30 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.32 1pgj h SER 332 Cb 0.15 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1pgj h SER 332 CO -0.09 -0.45 -0.08 0.58 -1.14 0.00 0.00 176.83 175.64 1pgj h VAL 333 N -0.74 0.72 -0.40 2.27 2.07 0.03 0.15 116.25 120.34 1pgj h VAL 333 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1pgj h VAL 333 Cb 0.57 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 1pgj h VAL 333 CO 0.11 0.00 -0.22 0.00 0.02 0.00 0.00 177.57 177.49 1pgj h ILE 335 N -0.15 1.26 -0.35 0.00 2.04 -0.92 -1.50 117.51 117.90 1pgj h ILE 335 Ca 0.20 -0.98 0.05 0.00 1.00 0.00 0.00 64.86 65.13 1pgj h ILE 335 Cb 0.45 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 1pgj h ILE 335 CO -0.49 0.32 0.06 0.00 0.00 0.00 0.00 178.15 178.03 1pgj h ALA 336 N 0.83 0.36 -0.63 1.87 0.00 -0.06 0.04 119.26 121.67 1pgj h ALA 336 Ca 0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pgj h ALA 336 Cb 0.46 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1pgj h ALA 336 CO 0.02 -0.34 0.32 0.82 0.00 0.00 0.00 179.25 180.06 1pgj h ILE 337 N 0.18 1.21 -0.97 0.00 2.04 -0.67 -1.74 117.51 117.56 1pgj h ILE 337 Ca 0.17 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.49 1pgj h ILE 337 Cb 0.19 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1pgj h ILE 337 CO -0.23 0.24 0.63 0.40 0.00 0.00 0.00 178.15 179.20 1pgj h ILE 338 N 0.87 1.13 0.00 -0.67 2.04 -0.18 -0.22 117.51 120.48 1pgj h ILE 338 Ca 0.22 -0.41 -0.09 0.00 1.00 0.00 0.00 64.86 65.58 1pgj h ILE 338 Cb 0.10 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.00 1pgj h ILE 338 CO -0.03 0.22 -0.44 0.77 0.00 0.00 0.00 178.15 178.67 1pgj h SER 339 N 1.19 0.00 -0.12 1.72 4.64 -0.48 -0.01 113.55 120.48 1pgj h SER 339 Ca 0.40 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1pgj h SER 339 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1pgj h SER 339 CO -0.14 0.44 0.05 0.00 -0.87 0.00 0.00 176.83 176.30 1pgj h TYR 341 N 0.05 0.54 -0.12 0.00 0.05 -1.03 -1.68 116.97 114.77 1pgj h TYR 341 Ca 0.04 0.01 0.04 0.00 0.05 0.00 0.00 58.73 58.88 1pgj h TYR 341 Cb 0.16 -0.18 -0.07 0.00 1.01 0.00 0.00 36.73 37.65 1pgj h TYR 341 CO -0.02 0.33 -0.42 0.00 -1.05 0.00 0.00 178.16 177.00 1pgj h ALA 342 N 1.18 -0.59 -0.41 3.88 0.00 -0.53 -1.06 119.26 121.72 1pgj h ALA 342 Ca 0.17 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1pgj h ALA 342 Cb -0.04 0.78 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1pgj h ALA 342 CO -0.05 -0.92 0.18 1.96 0.00 0.00 0.00 179.25 180.41 1pgj h GLN 343 N -0.49 0.36 -0.62 0.00 4.20 -1.00 -0.77 115.11 116.78 1pgj h GLN 343 Ca 0.07 -0.02 0.11 0.00 0.06 0.00 0.00 58.65 58.88 1pgj h GLN 343 Cb 0.62 -0.08 -0.09 0.00 0.30 0.00 0.00 27.48 28.24 1pgj h GLN 343 CO -0.39 0.23 0.16 1.98 -0.67 0.00 0.00 178.83 180.14 1pgj h MET 344 N 0.37 0.29 -0.13 1.46 4.05 -0.39 -0.09 114.93 120.49 1pgj h MET 344 Ca 0.18 -0.02 -0.16 0.00 -0.28 0.00 0.00 59.70 59.43 1pgj h MET 344 Cb 0.13 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 1pgj h MET 344 CO -0.16 0.19 -0.60 0.74 0.23 0.00 0.00 176.91 177.31 1pgj h PHE 345 N 0.29 0.55 -0.48 1.39 0.04 -0.52 -2.45 116.94 115.76 1pgj h PHE 345 Ca 0.32 -0.21 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 1pgj h PHE 345 Cb 0.47 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1pgj h PHE 345 CO -0.23 0.92 0.07 1.96 -0.60 0.00 0.00 178.31 180.43 1pgj h GLN 346 N 0.32 0.75 -0.26 1.51 1.08 -0.24 0.64 115.11 118.91 1pgj h GLN 346 Ca -0.00 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 57.00 1pgj h GLN 346 Cb 1.13 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1pgj h GLN 346 CO 0.10 0.72 0.06 0.00 -0.95 0.00 0.00 178.83 178.77 1pgj h LEU 348 N 0.25 0.26 -0.48 0.00 3.38 -1.08 0.58 115.31 118.22 1pgj h LEU 348 Ca 0.08 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.13 1pgj h LEU 348 Cb 0.28 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 1pgj h LEU 348 CO 0.00 0.19 0.14 0.03 0.09 0.00 0.00 178.44 178.89 1pgj h ARG 349 N 0.33 0.28 -0.55 1.13 3.08 -0.76 -1.30 114.38 116.60 1pgj h ARG 349 Ca 0.10 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 60.03 1pgj h ARG 349 Cb -0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1pgj h ARG 349 CO -0.05 0.19 -0.07 0.93 -1.07 0.00 0.00 179.97 179.90 1pgj h GLU 350 N 0.29 1.01 -0.35 0.04 4.39 -1.04 -2.52 114.58 116.41 1pgj h GLU 350 Ca 0.24 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1pgj h GLU 350 Cb 0.28 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1pgj h GLU 350 CO -0.27 1.03 0.17 1.98 -1.16 0.00 0.00 179.01 180.76 1pgj h MET 351 N 0.91 0.47 -0.12 2.33 4.05 -0.26 -0.88 114.93 121.42 1pgj h MET 351 Ca 0.15 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1pgj h MET 351 Cb 0.63 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1pgj h MET 351 CO 0.04 0.37 -0.12 0.22 0.23 0.00 0.00 176.91 177.64 1pgj h ASP 352 N 0.48 0.32 -0.35 1.39 3.58 -0.86 0.34 116.42 121.33 1pgj h ASP 352 Ca 0.12 -0.48 0.06 0.00 0.42 0.00 0.00 57.03 57.15 1pgj h ASP 352 Cb 0.04 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 40.95 1pgj h ASP 352 CO -0.02 0.74 0.03 0.11 -2.88 0.00 0.00 179.24 177.22 1pgj h LYS 353 N -0.09 0.13 -0.12 0.28 1.57 -1.03 0.70 116.57 118.01 1pgj h LYS 353 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1pgj h LYS 353 Cb 0.65 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1pgj h LYS 353 CO 0.03 0.08 -0.06 0.28 -0.57 0.00 0.00 179.45 179.22 1pgj h VAL 354 N 0.13 1.32 -0.09 0.50 2.07 -1.10 -3.25 116.25 115.83 1pgj h VAL 354 Ca 0.17 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.61 1pgj h VAL 354 Cb 0.22 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1pgj h VAL 354 CO -0.26 0.31 0.00 1.41 0.02 0.00 0.00 177.57 179.05 1pgj n HIS 355 N -4.70 0.09 -3.30 1.57 8.25 0.10 -4.99 115.22 112.24 1pgj n HIS 355 Ca -0.06 -0.04 -0.24 0.00 -0.26 0.00 0.00 57.72 57.12 1pgj n HIS 355 Cb 0.28 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.40 1pgj n HIS 355 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1pgj n ASN 356 N 0.90 -4.66 0.28 0.41 2.85 0.24 -4.87 115.26 110.42 1pgj n ASN 356 Ca 0.16 -0.39 0.17 0.00 -0.11 0.00 0.00 54.58 54.41 1pgj n ASN 356 Cb 0.50 -3.80 0.94 0.00 1.24 0.00 0.00 39.78 38.65 1pgj n ASN 356 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1pgj h PHE 357 N -1.24 0.00 -1.18 1.20 0.04 -1.85 -3.46 116.94 110.45 1pgj h PHE 357 Ca -0.48 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.23 1pgj h PHE 357 Cb 1.32 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.48 1pgj h PHE 357 CO 0.61 0.00 -0.10 0.41 -0.60 0.00 0.00 178.31 178.64 1pgj n GLY 358 N -1.31 0.51 3.75 -1.45 0.00 -1.26 -2.49 105.19 102.93 1pgj n GLY 358 Ca -0.02 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1pgj n GLY 358 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pgj s LEU 359 N -1.52 4.36 -0.85 0.99 2.96 -1.25 -4.71 118.68 118.67 1pgj s LEU 359 Ca 0.05 2.81 -0.06 0.00 -0.22 0.00 0.00 54.13 56.71 1pgj s LEU 359 Cb -0.02 -3.63 0.22 0.00 0.50 0.00 0.00 46.19 43.26 1pgj s LEU 359 CO 0.06 -0.82 0.75 0.21 -1.32 0.00 0.00 176.35 175.23 1pgj s ASN 360 N 0.50 6.20 0.21 3.68 3.84 -1.26 -4.97 114.94 123.15 1pgj s ASN 360 Ca 0.62 -3.25 -0.17 0.00 0.21 0.00 0.00 52.86 50.27 1pgj s ASN 360 Cb -0.45 -2.01 0.22 0.00 -0.55 0.00 0.00 41.25 38.45 1pgj s ASN 360 CO 0.44 -0.33 1.58 0.25 -2.79 0.00 0.00 177.10 176.25 1pgj h LEU 361 N 6.78 -1.06 -1.89 3.21 5.85 -1.94 -0.30 115.31 125.94 1pgj h LEU 361 Ca 0.11 0.25 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 1pgj h LEU 361 Cb 0.91 0.58 -0.00 0.00 0.37 0.00 0.00 40.66 42.51 1pgj h LEU 361 CO 0.82 -0.29 -0.13 1.55 -0.34 0.00 0.00 178.44 180.06 1pgj h PRO 362 N -0.08 0.00 -0.02 5.25 0.13 -1.92 -1.41 132.00 133.95 1pgj h PRO 362 Ca 0.30 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.22 1pgj h PRO 362 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1pgj h PRO 362 CO -0.78 0.13 -0.89 0.00 -0.23 0.00 0.00 178.00 176.22 1pgj h ALA 363 N 1.87 0.41 -0.09 -0.56 0.00 -1.47 -2.91 119.26 116.51 1pgj h ALA 363 Ca -0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1pgj h ALA 363 Cb 0.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pgj h ALA 363 CO 0.02 0.80 -0.10 1.15 0.00 0.00 0.00 179.25 181.12 1pgj h THR 364 N 0.25 1.37 -0.68 0.00 2.02 -0.92 -3.24 112.91 111.72 1pgj h THR 364 Ca -0.07 -1.27 0.03 0.00 0.77 0.00 0.00 66.41 65.87 1pgj h THR 364 Cb 1.51 2.01 -0.04 0.00 -1.74 0.00 0.00 68.15 69.89 1pgj h THR 364 CO 0.15 0.36 0.42 0.40 0.37 0.00 0.00 175.52 177.22 1pgj h ILE 365 N -0.20 1.09 -0.84 3.11 2.04 -1.36 -1.61 117.51 119.74 1pgj h ILE 365 Ca 0.01 -0.28 0.22 0.00 1.00 0.00 0.00 64.86 65.81 1pgj h ILE 365 Cb 0.62 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 1pgj h ILE 365 CO 0.02 0.15 0.58 0.00 0.00 0.00 0.00 178.15 178.91 1pgj h ALA 366 N 1.29 2.51 -0.00 1.87 0.00 -1.54 0.34 119.26 123.73 1pgj h ALA 366 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pgj h ALA 366 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pgj h ALA 366 CO -0.11 -0.76 0.00 0.25 0.00 0.00 0.00 179.25 178.63 1pgj n THR 367 N -4.39 0.00 0.70 0.00 -2.24 -0.60 -2.96 114.28 104.79 1pgj n THR 367 Ca 0.17 -0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.06 1pgj n THR 367 Cb 0.79 -0.04 0.01 0.00 -2.10 0.00 0.00 70.33 68.98 1pgj n THR 367 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1pgj n PHE 368 N -0.54 0.15 0.31 4.78 3.01 0.12 -4.53 117.46 120.75 1pgj n PHE 368 Ca 0.02 0.04 0.17 0.00 1.01 0.00 0.00 57.45 58.70 1pgj n PHE 368 Cb 0.01 -0.31 0.98 0.00 -0.01 0.00 0.00 39.48 40.16 1pgj n PHE 368 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pgj h ARG 369 N 0.00 0.00 -4.09 -1.08 3.08 -1.65 -3.25 114.38 107.39 1pgj h ARG 369 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 1pgj h ARG 369 Cb 0.66 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.60 1pgj h ARG 369 CO 0.00 0.01 -0.31 0.00 -1.07 0.00 0.00 179.97 178.60 1pgj s ALA 370 N -4.44 0.48 0.00 0.04 0.00 -1.26 -4.10 121.76 112.49 1pgj s ALA 370 Ca -0.05 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1pgj s ALA 370 Cb 0.14 1.21 0.00 0.00 0.00 0.00 0.00 23.12 24.47 1pgj s ALA 370 CO 0.51 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.94 1pgj n GLY 371 N -0.38 0.67 3.71 0.00 0.00 -1.26 -4.48 105.19 103.45 1pgj n GLY 371 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1pgj n GLY 371 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pgj h ILE 373 N -1.56 1.25 0.00 0.00 1.08 -1.90 -3.07 117.51 113.31 1pgj h ILE 373 Ca -0.49 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 62.79 1pgj h ILE 373 Cb 1.28 1.55 0.00 0.00 -3.07 0.00 0.00 36.82 36.58 1pgj h ILE 373 CO 0.53 0.35 0.00 0.18 -0.69 0.00 0.00 178.15 178.52 1pgj n LEU 374 N -4.13 0.00 -4.62 1.44 4.77 -1.26 -4.27 117.00 108.93 1pgj n LEU 374 Ca -0.01 0.33 -0.37 0.00 -0.03 0.00 0.00 56.01 55.92 1pgj n LEU 374 Cb 0.39 -0.33 0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1pgj n LEU 374 CO 0.39 -0.10 0.54 0.00 -1.33 0.00 0.00 177.39 176.89 1pgj n GLN 375 N -1.33 0.74 0.00 3.23 10.64 -1.16 -4.91 117.38 124.59 1pgj n GLN 375 Ca 0.09 0.30 0.00 0.00 -1.83 0.00 0.00 57.00 55.56 1pgj n GLN 375 Cb 0.18 -2.19 0.00 0.00 -0.86 0.00 0.00 30.24 27.36 1pgj n GLN 375 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1pgj n GLY 376 N 1.23 1.84 0.25 2.61 0.00 -1.26 -3.19 105.19 106.67 1pgj n GLY 376 Ca 0.14 -1.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1pgj n GLY 376 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pgj h TYR 377 N 0.00 -0.53 -1.22 1.61 3.20 -1.15 -2.28 116.97 116.60 1pgj h TYR 377 Ca 0.00 0.04 0.35 0.00 3.14 0.00 0.00 58.73 62.26 1pgj h TYR 377 Cb 0.00 0.28 -0.05 0.00 1.54 0.00 0.00 36.73 38.51 1pgj h TYR 377 CO 0.00 -0.28 0.95 -0.07 -1.64 0.00 0.00 178.16 177.11 1pgj h LEU 378 N -0.17 0.00 -2.60 2.82 3.38 -1.81 0.55 115.31 117.48 1pgj h LEU 378 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1pgj h LEU 378 Cb 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pgj h LEU 378 CO -0.42 0.00 -0.01 -0.07 0.09 0.00 0.00 178.44 178.03 1pgj h LEU 379 N 0.00 0.00 0.59 1.67 -0.00 -1.76 -2.77 115.31 113.04 1pgj h LEU 379 Ca 0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 58.43 1pgj h LEU 379 Cb 2.47 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 43.14 1pgj h LEU 379 CO -0.01 0.01 -0.28 0.50 -0.00 0.00 0.00 178.44 178.66 1pgj h LYS 380 N 0.00 -0.76 0.00 1.13 3.64 -1.07 -1.73 116.57 117.77 1pgj h LYS 380 Ca -0.00 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1pgj h LYS 380 Cb 0.10 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1pgj h LYS 380 CO 0.00 -0.51 -0.10 -1.00 -2.27 0.00 0.00 179.45 175.57 1pgj h PRO 381 N -1.13 0.00 -0.06 1.90 0.13 -1.71 -1.80 132.00 129.33 1pgj h PRO 381 Ca -0.08 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.87 1pgj h PRO 381 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1pgj h PRO 381 CO 0.13 0.10 -0.73 0.52 -0.23 0.00 0.00 178.00 177.80 1pgj h MET 382 N 0.00 0.34 -0.27 0.86 2.86 -1.48 -0.02 114.93 117.23 1pgj h MET 382 Ca -0.00 -0.28 -0.07 0.00 -2.06 0.00 0.00 59.70 57.29 1pgj h MET 382 Cb 0.37 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1pgj h MET 382 CO 0.01 0.92 -0.10 1.15 1.06 0.00 0.00 176.91 179.96 1pgj h THR 383 N 0.23 1.29 -0.75 2.22 2.02 -0.50 -2.78 112.91 114.64 1pgj h THR 383 Ca -0.03 -1.15 -0.02 0.00 0.77 0.00 0.00 66.41 65.98 1pgj h THR 383 Cb 1.29 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 1pgj h THR 383 CO 0.12 0.36 0.39 -0.33 0.37 0.00 0.00 175.52 176.43 1pgj h GLU 384 N 0.29 1.07 -0.48 6.66 5.08 -1.25 -1.28 114.58 124.67 1pgj h GLU 384 Ca 0.06 -0.14 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 1pgj h GLU 384 Cb 0.59 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1pgj h GLU 384 CO 0.03 0.82 0.21 0.00 -1.00 0.00 0.00 179.01 179.07 1pgj h ALA 385 N 1.20 0.59 0.00 3.43 0.00 -0.92 0.61 119.26 124.18 1pgj h ALA 385 Ca 0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1pgj h ALA 385 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pgj h ALA 385 CO -0.04 -0.17 0.00 1.19 0.00 0.00 0.00 179.25 180.24 1pgj n PHE 386 N -4.95 0.50 -0.04 0.00 3.72 -1.01 -1.51 117.46 114.18 1pgj n PHE 386 Ca 0.04 0.16 -0.21 0.00 -0.05 0.00 0.00 57.45 57.39 1pgj n PHE 386 Cb 0.16 -0.76 -0.13 0.00 -0.94 0.00 0.00 39.48 37.81 1pgj n PHE 386 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1pgj h GLU 387 N 0.00 0.14 0.61 -1.08 5.08 -0.07 -3.20 114.58 116.06 1pgj h GLU 387 Ca 0.00 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1pgj h GLU 387 Cb 0.55 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1pgj h GLU 387 CO 0.00 1.11 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.59 1pgj h LYS 388 N -0.56 -0.82 -2.41 2.33 3.64 0.32 -3.39 116.57 115.69 1pgj h LYS 388 Ca -0.31 0.06 -0.59 0.00 -1.27 0.00 0.00 60.65 58.54 1pgj h LYS 388 Cb 1.57 0.19 -0.38 0.00 -0.41 0.00 0.00 32.23 33.19 1pgj h LYS 388 CO -0.04 -0.54 -0.95 1.21 -2.27 0.00 0.00 179.45 176.86 1pgj s ASN 389 N -4.45 1.65 0.57 4.20 3.84 -0.57 -5.01 114.94 115.17 1pgj s ASN 389 Ca -0.17 -3.08 0.00 0.00 0.21 0.00 0.00 52.86 49.82 1pgj s ASN 389 Cb 0.04 -0.50 0.00 0.00 -0.55 0.00 0.00 41.25 40.24 1pgj s ASN 389 CO 0.62 -0.17 0.88 -2.65 -2.79 0.00 0.00 177.10 172.99 1pgj n PRO 390 N 2.84 0.03 -0.97 0.43 -0.02 -1.21 -0.63 135.00 135.47 1pgj n PRO 390 Ca 0.29 0.82 -0.09 0.00 -2.02 0.00 0.00 63.50 62.50 1pgj n PRO 390 Cb 0.47 -2.26 0.18 0.00 -0.02 0.00 0.00 33.50 31.86 1pgj n PRO 390 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pgj n ASN 391 N -2.24 3.00 -4.75 2.55 3.02 -1.26 -5.03 115.26 110.55 1pgj n ASN 391 Ca 0.00 -3.78 -0.41 0.00 -0.03 0.00 0.00 54.58 50.36 1pgj n ASN 391 Cb 0.88 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 1pgj n ASN 391 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1pgj s ILE 392 N -3.45 2.85 0.25 2.41 2.07 0.19 -4.87 121.20 120.66 1pgj s ILE 392 Ca 0.47 0.74 -0.07 0.00 -1.41 0.00 0.00 60.65 60.39 1pgj s ILE 392 Cb 0.42 -3.47 0.32 0.00 0.13 0.00 0.00 42.46 39.85 1pgj s ILE 392 CO 0.01 0.13 1.62 0.77 -1.91 0.00 0.00 174.94 175.55 1pgj h SER 393 N 4.73 -0.47 -4.71 4.50 4.64 -1.96 -3.44 113.55 116.84 1pgj h SER 393 Ca -0.46 0.22 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1pgj h SER 393 Cb 1.22 0.41 -0.20 0.00 -0.31 0.00 0.00 62.40 63.51 1pgj h SER 393 CO 0.74 -0.23 0.29 0.21 -0.87 0.00 0.00 176.83 176.98 1pgj s ASN 394 N -5.18 -0.58 0.54 4.97 3.84 -1.26 -5.06 114.94 112.21 1pgj s ASN 394 Ca -0.14 0.64 0.21 0.00 0.21 0.00 0.00 52.86 53.78 1pgj s ASN 394 Cb 0.23 0.49 1.39 0.00 -0.55 0.00 0.00 41.25 42.81 1pgj s ASN 394 CO 0.76 -0.52 2.12 0.25 -2.79 0.00 0.00 177.10 176.92 1pgj h LEU 395 N 2.92 0.00 -1.47 3.21 5.85 -1.87 -2.01 115.31 121.94 1pgj h LEU 395 Ca -0.25 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1pgj h LEU 395 Cb 1.15 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1pgj h LEU 395 CO 0.36 0.00 -0.25 0.24 -0.34 0.00 0.00 178.44 178.45 1pgj h MET 396 N 0.00 0.00 -0.78 1.25 2.86 -1.95 -2.83 114.93 113.48 1pgj h MET 396 Ca 0.07 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.79 1pgj h MET 396 Cb 0.28 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.87 1pgj h MET 396 CO -0.00 0.25 0.45 0.00 1.06 0.00 0.00 176.91 178.67 1pgj h ALA 398 N 1.42 1.35 -0.35 0.00 0.00 -1.68 -0.51 119.26 119.49 1pgj h ALA 398 Ca 0.37 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 55.07 1pgj h ALA 398 Cb 0.28 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.95 1pgj h ALA 398 CO -0.22 -0.20 -0.19 1.19 0.00 0.00 0.00 179.25 179.83 1pgj n PHE 399 N -3.22 1.13 -0.20 0.00 3.01 0.10 -4.75 117.46 113.54 1pgj n PHE 399 Ca -0.01 -1.71 0.10 0.00 1.01 0.00 0.00 57.45 56.84 1pgj n PHE 399 Cb 0.25 -0.48 0.39 0.00 -0.01 0.00 0.00 39.48 39.64 1pgj n PHE 399 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1pgj h GLN 400 N 1.14 0.65 0.23 -1.08 3.07 -0.95 -1.18 115.11 117.00 1pgj h GLN 400 Ca 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 58.65 58.90 1pgj h GLN 400 Cb 1.51 -0.15 0.00 0.00 0.08 0.00 0.00 27.48 28.93 1pgj h GLN 400 CO 0.40 0.43 -0.11 1.15 0.09 0.00 0.00 178.83 180.79 1pgj h THR 401 N 0.66 0.83 -0.33 1.86 2.02 -1.85 -1.11 112.91 115.00 1pgj h THR 401 Ca 0.36 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1pgj h THR 401 Cb 0.50 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1pgj h THR 401 CO -0.13 0.10 0.22 -0.33 0.37 0.00 0.00 175.52 175.74 1pgj h GLU 402 N -0.55 0.43 -0.66 6.66 3.07 -1.86 -2.17 114.58 119.50 1pgj h GLU 402 Ca -0.03 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1pgj h GLU 402 Cb 0.40 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1pgj h GLU 402 CO 0.05 0.29 0.36 0.82 -1.40 0.00 0.00 179.01 179.13 1pgj h ILE 403 N 0.44 1.21 -0.34 3.13 2.04 -1.17 -2.40 117.51 120.43 1pgj h ILE 403 Ca 0.12 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1pgj h ILE 403 Cb -0.05 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 1pgj h ILE 403 CO -0.03 0.23 0.17 0.03 0.00 0.00 0.00 178.15 178.56 1pgj h ARG 404 N 0.91 0.49 -0.82 2.37 3.08 -0.92 0.07 114.38 119.56 1pgj h ARG 404 Ca 0.23 -0.07 0.12 0.00 0.07 0.00 0.00 59.98 60.34 1pgj h ARG 404 Cb 0.05 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 29.93 1pgj h ARG 404 CO -0.04 0.43 0.43 0.00 -1.07 0.00 0.00 179.97 179.72 1pgj h ALA 405 N 1.03 1.20 -0.02 0.04 0.00 -0.99 -3.13 119.26 117.39 1pgj h ALA 405 Ca 0.12 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1pgj h ALA 405 Cb 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1pgj h ALA 405 CO -0.02 -0.03 -0.10 0.41 0.00 0.00 0.00 179.25 179.51 1pgj n GLY 406 N -1.32 -0.00 0.25 0.00 0.00 -0.94 -4.70 105.19 98.48 1pgj n GLY 406 Ca 0.15 -0.42 0.02 0.00 0.00 0.00 0.00 46.02 45.77 1pgj n GLY 406 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pgj h LEU 407 N 2.43 0.28 -0.64 0.99 5.85 -0.92 0.82 115.31 124.11 1pgj h LEU 407 Ca 0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1pgj h LEU 407 Cb 0.57 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1pgj h LEU 407 CO 0.00 0.15 0.23 -0.61 -0.34 0.00 0.00 178.44 177.88 1pgj h GLN 408 N 0.46 0.98 -0.86 1.25 5.75 -1.84 0.97 115.11 121.81 1pgj h GLN 408 Ca 0.34 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.66 1pgj h GLN 408 Cb 0.44 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.79 1pgj h GLN 408 CO -0.32 0.84 0.56 -0.91 -2.65 0.00 0.00 178.83 176.34 1pgj h ASN 409 N 0.91 1.00 -0.35 -0.69 4.21 -1.63 0.46 115.58 119.49 1pgj h ASN 409 Ca 0.21 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1pgj h ASN 409 Cb 0.24 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1pgj h ASN 409 CO -0.01 0.73 0.22 0.22 -1.29 0.00 0.00 177.43 177.30 1pgj h TYR 410 N 1.17 0.45 -0.62 1.19 5.03 0.04 0.30 116.97 124.53 1pgj h TYR 410 Ca 0.31 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.60 1pgj h TYR 410 Cb -0.11 -0.15 -0.03 0.00 1.55 0.00 0.00 36.73 37.99 1pgj h TYR 410 CO -0.01 0.31 0.27 0.00 -1.32 0.00 0.00 178.16 177.41 1pgj h ARG 411 N 0.47 0.91 -0.52 1.82 3.08 0.91 -2.49 114.38 118.57 1pgj h ARG 411 Ca 0.13 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.92 1pgj h ARG 411 Cb -0.03 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 1pgj h ARG 411 CO -0.03 0.75 -0.10 -0.44 -1.07 0.00 0.00 179.97 179.09 1pgj h ASP 412 N 0.86 0.98 -0.03 7.04 3.32 0.23 -2.12 116.42 126.70 1pgj h ASP 412 Ca 0.21 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 1pgj h ASP 412 Cb 0.16 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.44 1pgj h ASP 412 CO -0.02 1.10 0.01 -0.03 -1.72 0.00 0.00 179.24 178.58 1pgj h MET 413 N 0.85 0.05 0.00 3.56 4.05 -0.83 0.21 114.93 122.82 1pgj h MET 413 Ca 0.14 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.49 1pgj h MET 413 Cb 0.66 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.44 1pgj h MET 413 CO 0.05 0.18 -0.29 -0.39 0.23 0.00 0.00 176.91 176.68 1pgj h VAL 414 N -0.10 0.87 -0.23 -5.77 -1.51 -1.46 0.72 116.25 108.77 1pgj h VAL 414 Ca 0.01 -1.16 -0.01 0.00 -1.23 0.00 0.00 66.70 64.31 1pgj h VAL 414 Cb 0.15 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.00 1pgj h VAL 414 CO -0.00 0.29 0.08 0.00 -1.23 0.00 0.00 177.57 176.71 1pgj h ALA 415 N 1.71 0.30 -0.42 5.19 0.00 -1.05 0.14 119.26 125.13 1pgj h ALA 415 Ca -0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1pgj h ALA 415 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1pgj h ALA 415 CO 0.04 -0.10 -0.02 1.25 0.00 0.00 0.00 179.25 180.42 1pgj h LEU 416 N 0.21 0.74 -1.06 0.00 5.85 -0.41 -2.15 115.31 118.48 1pgj h LEU 416 Ca 0.08 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 1pgj h LEU 416 Cb 0.20 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1pgj h LEU 416 CO -0.00 0.88 0.20 0.40 -0.34 0.00 0.00 178.44 179.57 1pgj h ILE 417 N 0.58 1.22 -0.03 4.05 2.04 -0.69 -1.36 117.51 123.32 1pgj h ILE 417 Ca 0.12 -0.73 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1pgj h ILE 417 Cb 0.51 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1pgj h ILE 417 CO 0.02 0.28 -0.00 0.74 0.00 0.00 0.00 178.15 179.19 1pgj h THR 418 N 0.85 1.28 0.01 -0.27 2.02 -0.74 -1.63 112.91 114.44 1pgj h THR 418 Ca 0.20 -0.86 -0.20 0.00 0.77 0.00 0.00 66.41 66.32 1pgj h THR 418 Cb 0.22 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1pgj h THR 418 CO -0.01 0.23 -0.93 0.77 0.37 0.00 0.00 175.52 175.95 1pgj h SER 419 N -0.30 0.13 0.00 4.18 4.64 -1.39 -3.39 113.55 117.42 1pgj h SER 419 Ca 0.01 -0.11 -0.25 0.00 -0.47 0.00 0.00 61.79 60.97 1pgj h SER 419 Cb 0.37 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.37 1pgj h SER 419 CO 0.00 0.98 -2.07 0.29 -0.87 0.00 0.00 176.83 175.16 1pgj n LYS 420 N -3.54 1.16 -4.03 4.77 4.76 -0.52 -4.55 118.16 116.21 1pgj n LYS 420 Ca -0.02 -0.04 -0.25 0.00 -2.87 0.00 0.00 58.31 55.13 1pgj n LYS 420 Cb 0.85 -1.42 -0.04 0.00 -1.84 0.00 0.00 35.03 32.58 1pgj n LYS 420 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1pgj s LEU 421 N -5.03 4.02 -0.68 -0.35 1.43 -0.61 -1.50 118.68 115.95 1pgj s LEU 421 Ca -0.08 -0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 52.96 1pgj s LEU 421 Cb 0.06 -2.60 0.21 0.00 0.03 0.00 0.00 46.19 43.90 1pgj s LEU 421 CO 0.69 0.04 2.37 -0.62 0.23 0.00 0.00 176.35 179.05 1pgj n GLU 422 N -0.63 2.69 -4.18 1.70 1.02 -1.26 -4.77 120.64 115.20 1pgj n GLU 422 Ca -0.08 -3.02 -0.16 0.00 -0.02 0.00 0.00 57.16 53.89 1pgj n GLU 422 Cb 0.55 -2.22 -0.13 0.00 -0.02 0.00 0.00 31.44 29.62 1pgj n GLU 422 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1pgj s VAL 423 N -3.71 0.62 -0.10 2.62 -7.23 -1.26 -5.11 120.40 106.23 1pgj s VAL 423 Ca 0.55 -0.69 -0.20 0.00 -1.81 0.00 0.00 61.98 59.83 1pgj s VAL 423 Cb 0.40 -0.59 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 1pgj s VAL 423 CO -0.32 -0.07 0.56 -0.44 -0.31 0.00 0.00 175.10 174.52 1pgj s SER 424 N -0.84 6.79 -0.57 4.85 0.01 -1.26 -4.93 113.70 117.74 1pgj s SER 424 Ca -0.02 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.25 1pgj s SER 424 Cb -0.06 -2.33 0.26 0.00 0.21 0.00 0.00 66.02 64.10 1pgj s SER 424 CO 0.00 -0.05 0.71 2.30 0.41 0.00 0.00 173.24 176.61 1pgj n ILE 425 N 3.73 1.66 0.12 1.44 -5.35 -1.26 -4.97 119.36 114.73 1pgj n ILE 425 Ca -0.05 -4.95 -0.16 0.00 -0.27 0.00 0.00 62.75 57.32 1pgj n ILE 425 Cb 0.51 -2.00 -0.09 0.00 -1.74 0.00 0.00 39.64 36.33 1pgj n ILE 425 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1pgj h PRO 426 N 4.04 -0.71 -0.19 6.28 0.11 -1.95 -2.03 132.00 137.56 1pgj h PRO 426 Ca 0.16 0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 1pgj h PRO 426 Cb 0.71 0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1pgj h PRO 426 CO 0.74 -0.47 -0.36 0.28 -0.21 0.00 0.00 178.00 177.98 1pgj h VAL 427 N -0.74 1.34 -0.42 3.15 2.07 -1.93 -1.24 116.25 118.48 1pgj h VAL 427 Ca -0.01 -1.60 -0.00 0.00 0.82 0.00 0.00 66.70 65.91 1pgj h VAL 427 Cb 0.73 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 1pgj h VAL 427 CO -0.26 0.49 0.26 -0.07 0.02 0.00 0.00 177.57 178.01 1pgj h LEU 428 N 0.23 0.50 0.17 2.57 3.38 -1.93 -1.24 115.31 119.00 1pgj h LEU 428 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1pgj h LEU 428 Cb 0.96 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1pgj h LEU 428 CO 0.08 0.38 -0.08 -1.28 0.09 0.00 0.00 178.44 177.63 1pgj h SER 429 N 0.58 -0.19 -0.95 -0.43 0.87 -1.32 -3.07 113.55 109.05 1pgj h SER 429 Ca 0.15 -0.34 0.10 0.00 -1.23 0.00 0.00 61.79 60.47 1pgj h SER 429 Cb -0.03 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 1pgj h SER 429 CO -0.03 0.34 0.61 0.00 -0.53 0.00 0.00 176.83 177.22 1pgj h ALA 430 N -0.26 1.58 -0.79 6.23 0.00 -1.01 -2.03 119.26 122.99 1pgj h ALA 430 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pgj h ALA 430 Cb 0.53 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1pgj h ALA 430 CO 0.04 0.21 0.43 0.77 0.00 0.00 0.00 179.25 180.70 1pgj h SER 431 N 0.95 0.98 -0.51 0.00 0.02 -1.29 -0.62 113.55 113.08 1pgj h SER 431 Ca 0.45 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.25 1pgj h SER 431 Cb 0.43 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1pgj h SER 431 CO -0.21 0.80 0.14 0.25 -1.14 0.00 0.00 176.83 176.67 1pgj h LEU 432 N 1.09 0.81 -0.93 5.07 5.85 -1.27 -1.49 115.31 124.44 1pgj h LEU 432 Ca 0.28 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 1pgj h LEU 432 Cb 0.03 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1pgj h LEU 432 CO -0.04 0.79 -0.11 0.78 -0.34 0.00 0.00 178.44 179.51 1pgj h ASN 433 N 0.84 0.64 -0.11 1.25 2.35 -1.16 -0.47 115.58 118.92 1pgj h ASN 433 Ca 0.18 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1pgj h ASN 433 Cb 0.30 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1pgj h ASN 433 CO -0.00 0.78 0.06 0.22 -1.65 0.00 0.00 177.43 176.84 1pgj h TYR 434 N 0.60 0.14 0.57 1.19 3.20 -0.14 0.16 116.97 122.69 1pgj h TYR 434 Ca 0.11 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1pgj h TYR 434 Cb 0.54 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 1pgj h TYR 434 CO 0.02 0.15 -0.36 0.28 -1.64 0.00 0.00 178.16 176.61 1pgj h VAL 435 N 0.09 0.26 -0.26 1.81 2.07 -0.87 -0.93 116.25 118.42 1pgj h VAL 435 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1pgj h VAL 435 Cb 0.05 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1pgj h VAL 435 CO -0.01 0.00 0.10 0.71 0.02 0.00 0.00 177.57 178.40 1pgj h THR 436 N -0.89 0.96 -0.55 2.57 1.35 -1.00 -2.92 112.91 112.43 1pgj h THR 436 Ca -0.07 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1pgj h THR 436 Cb 0.73 0.70 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 1pgj h THR 436 CO 0.06 0.04 0.29 0.00 -0.25 0.00 0.00 175.52 175.67 1pgj h ALA 437 N 1.15 0.70 0.00 6.62 0.00 -0.59 -2.96 119.26 124.19 1pgj h ALA 437 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pgj h ALA 437 Cb 0.06 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1pgj h ALA 437 CO -0.10 0.23 0.00 0.52 0.00 0.00 0.00 179.25 179.90 1pgj h MET 438 N 0.74 0.00 -0.61 0.00 2.86 -1.00 -2.34 114.93 114.58 1pgj h MET 438 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1pgj h MET 438 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1pgj h MET 438 CO -0.03 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.13 1pgj n PHE 439 N -2.96 0.93 -3.61 -0.22 3.72 -1.12 -4.92 117.46 109.28 1pgj n PHE 439 Ca -0.00 -0.53 -0.40 0.00 -0.05 0.00 0.00 57.45 56.47 1pgj n PHE 439 Cb 0.22 -0.06 -0.11 0.00 -0.94 0.00 0.00 39.48 38.59 1pgj n PHE 439 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1pgj s THR 440 N -1.20 4.72 0.10 4.37 2.01 -0.88 -5.00 115.64 119.75 1pgj s THR 440 Ca 0.43 -0.54 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 1pgj s THR 440 Cb 0.24 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 1pgj s THR 440 CO 0.27 -0.06 1.69 -0.65 -0.69 0.00 0.00 174.62 175.18 1pgj h PRO 441 N 8.41 0.23 -5.04 4.92 0.11 -1.91 -3.40 132.00 135.31 1pgj h PRO 441 Ca -0.30 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.12 1pgj h PRO 441 Cb 1.13 -0.04 -0.33 0.00 0.11 0.00 0.00 31.00 31.87 1pgj h PRO 441 CO 0.64 0.24 -0.83 0.99 -0.21 0.00 0.00 178.00 178.83 1pgj s THR 442 N -5.83 2.38 -0.44 -1.15 2.01 -1.26 -5.07 115.64 106.28 1pgj s THR 442 Ca -0.13 -0.85 -0.15 0.00 0.31 0.00 0.00 61.69 60.87 1pgj s THR 442 Cb 0.07 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.60 1pgj s THR 442 CO 0.69 0.50 0.34 -0.76 -0.69 0.00 0.00 174.62 174.70 1pgj s LEU 443 N 1.33 5.33 0.27 4.42 1.43 -1.26 -4.97 118.68 125.23 1pgj s LEU 443 Ca 0.05 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.02 1pgj s LEU 443 Cb -0.13 -2.16 0.41 0.00 0.03 0.00 0.00 46.19 44.34 1pgj s LEU 443 CO -0.11 -0.54 1.90 0.11 0.23 0.00 0.00 176.35 177.95 1pgj h LYS 444 N 8.67 1.14 -0.03 1.70 6.56 -1.99 -2.19 116.57 130.43 1pgj h LYS 444 Ca -0.27 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.26 1pgj h LYS 444 Cb 1.11 -0.26 -0.00 0.00 -0.57 0.00 0.00 32.23 32.52 1pgj h LYS 444 CO 0.79 0.76 0.05 0.10 -2.06 0.00 0.00 179.45 179.09 1pgj h TYR 445 N 1.18 0.00 0.00 -1.35 -0.00 -2.00 0.25 116.97 115.04 1pgj h TYR 445 Ca 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.07 1pgj h TYR 445 Cb 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.83 1pgj h TYR 445 CO -0.00 0.00 -0.33 0.78 -0.00 0.00 0.00 178.16 178.61 1pgj h GLY 446 N 0.00 0.00 0.68 0.10 0.00 -1.82 -1.03 103.07 101.00 1pgj h GLY 446 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.27 1pgj h GLY 446 CO -0.00 0.00 -0.25 1.46 0.00 0.00 0.00 176.54 177.75 1pgj h GLN 447 N 0.00 0.33 0.44 4.80 4.20 -0.58 -2.58 115.11 121.72 1pgj h GLN 447 Ca -0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1pgj h GLN 447 Cb 0.91 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1pgj h GLN 447 CO 0.04 0.85 -0.21 1.25 -0.67 0.00 0.00 178.83 180.09 1pgj h LEU 448 N -0.14 -0.50 -1.18 1.46 5.85 -1.33 -2.53 115.31 116.94 1pgj h LEU 448 Ca -0.01 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.69 1pgj h LEU 448 Cb 0.86 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.96 1pgj h LEU 448 CO 0.05 -0.14 0.58 0.58 -0.34 0.00 0.00 178.44 179.17 1pgj h VAL 449 N -0.90 1.01 -0.33 1.05 2.07 -1.33 0.16 116.25 117.98 1pgj h VAL 449 Ca -0.06 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1pgj h VAL 449 Cb 0.57 -0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 1pgj h VAL 449 CO 0.10 0.17 0.12 -1.28 0.02 0.00 0.00 177.57 176.71 1pgj h SER 450 N 0.95 0.15 -0.08 0.57 0.87 -1.43 -1.75 113.55 112.82 1pgj h SER 450 Ca 0.40 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.98 1pgj h SER 450 Cb 0.31 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1pgj h SER 450 CO -0.16 0.12 0.01 -0.07 -0.53 0.00 0.00 176.83 176.20 1pgj h LEU 451 N 0.27 0.13 -0.76 2.23 3.38 -0.78 -3.14 115.31 116.64 1pgj h LEU 451 Ca 0.15 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.04 1pgj h LEU 451 Cb 0.11 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.70 1pgj h LEU 451 CO -0.14 0.35 0.12 1.56 0.09 0.00 0.00 178.44 180.41 1pgj h GLN 452 N -0.10 0.18 -0.12 1.13 4.20 -0.69 0.36 115.11 120.07 1pgj h GLN 452 Ca 0.02 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.76 1pgj h GLN 452 Cb 0.28 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1pgj h GLN 452 CO 0.00 0.12 0.09 0.00 -0.67 0.00 0.00 178.83 178.38 1pgj h ARG 453 N 0.19 0.00 -0.15 1.46 3.08 -1.28 -0.37 114.38 117.31 1pgj h ARG 453 Ca 0.43 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.30 1pgj h ARG 453 Cb 0.78 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.83 1pgj h ARG 453 CO -0.59 0.00 -0.64 0.22 -1.07 0.00 0.00 179.97 177.89 1pgj h ASP 454 N 0.00 0.82 -0.42 7.04 3.58 -0.32 -2.06 116.42 125.07 1pgj h ASP 454 Ca 0.06 -0.62 0.08 0.00 0.42 0.00 0.00 57.03 56.98 1pgj h ASP 454 Cb 0.24 -0.24 -0.09 0.00 1.72 0.00 0.00 39.33 40.96 1pgj h ASP 454 CO -0.00 1.31 -0.28 0.58 -2.88 0.00 0.00 179.24 177.97 1pgj h VAL 455 N 0.39 0.29 0.03 2.25 2.07 -0.44 0.23 116.25 121.07 1pgj h VAL 455 Ca -0.04 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.13 1pgj h VAL 455 Cb 1.27 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1pgj h VAL 455 CO 0.13 0.00 -2.17 2.22 0.02 0.00 0.00 177.57 177.77 1pgj n PHE 456 N -5.41 0.54 1.01 1.57 1.16 -1.20 -4.50 117.46 110.64 1pgj n PHE 456 Ca 0.02 0.15 0.11 0.00 -1.87 0.00 0.00 57.45 55.85 1pgj n PHE 456 Cb 0.32 -1.08 -0.02 0.00 -1.61 0.00 0.00 39.48 37.09 1pgj n PHE 456 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1pgj n GLY 457 N 1.92 -0.66 3.02 4.97 0.00 -0.78 -4.97 105.19 108.70 1pgj n GLY 457 Ca -0.33 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 1pgj n GLY 457 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pgj n ARG 458 N -0.96 -3.54 0.17 1.61 5.12 0.81 -4.85 116.66 115.02 1pgj n ARG 458 Ca 0.06 0.66 0.13 0.00 -1.93 0.00 0.00 57.85 56.78 1pgj n ARG 458 Cb 0.38 -5.40 0.53 0.00 -1.16 0.00 0.00 32.46 26.81 1pgj n ARG 458 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1pgj h HIS 459 N -0.86 0.00 -0.68 -1.55 3.86 -1.74 -3.48 115.15 110.70 1pgj h HIS 459 Ca -0.44 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.85 1pgj h HIS 459 Cb 1.30 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.74 1pgj h HIS 459 CO 0.63 0.00 -0.17 0.41 0.86 0.00 0.00 177.93 179.66 1pgj n GLY 460 N 0.15 -1.97 3.23 2.45 0.00 -1.26 -4.99 105.19 102.80 1pgj n GLY 460 Ca 0.02 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 1pgj n GLY 460 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pgj s TYR 461 N -2.09 -0.18 0.54 1.61 -0.85 -0.56 -4.68 117.35 111.14 1pgj s TYR 461 Ca 0.00 0.28 -0.16 0.00 -0.52 0.00 0.00 57.07 56.67 1pgj s TYR 461 Cb 0.00 0.09 -0.06 0.00 0.38 0.00 0.00 41.96 42.37 1pgj s TYR 461 CO 0.00 -0.37 1.01 -1.21 -1.52 0.00 0.00 175.55 173.46 1pgj s GLU 462 N -1.24 3.74 0.16 -3.49 2.02 -1.26 -1.52 118.70 117.11 1pgj s GLU 462 Ca -0.13 1.01 0.10 0.00 0.02 0.00 0.00 54.97 55.97 1pgj s GLU 462 Cb -0.05 -2.10 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 1pgj s GLU 462 CO 0.04 -0.45 -0.20 1.03 0.02 0.00 0.00 175.26 175.70 1pgj s ARG 463 N -4.15 1.67 0.25 1.61 0.52 -1.26 -4.94 118.95 112.65 1pgj s ARG 463 Ca 0.60 -1.36 0.24 0.00 -0.52 0.00 0.00 55.73 54.68 1pgj s ARG 463 Cb -0.12 -1.98 0.33 0.00 0.52 0.00 0.00 34.95 33.70 1pgj s ARG 463 CO 0.34 0.43 1.41 -0.39 0.02 0.00 0.00 175.30 177.12 1pgj h VAL 464 N 3.31 0.00 0.00 3.52 -1.51 -1.97 -3.38 116.25 116.23 1pgj h VAL 464 Ca -0.48 -0.77 -0.14 0.00 -1.23 0.00 0.00 66.70 64.07 1pgj h VAL 464 Cb 1.19 1.52 -0.03 0.00 -2.13 0.00 0.00 31.29 31.85 1pgj h VAL 464 CO 0.47 0.00 -1.84 -0.90 -1.23 0.00 0.00 177.57 174.07 1pgj n ASP 465 N -2.58 1.53 0.00 4.19 5.68 -1.26 -4.99 116.55 119.12 1pgj n ASP 465 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.32 1pgj n ASP 465 Cb 0.49 1.23 0.00 0.00 -1.14 0.00 0.00 41.12 41.70 1pgj n ASP 465 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1pgj n LYS 466 N -2.30 0.00 -3.53 0.11 5.02 -1.26 -5.16 118.16 111.04 1pgj n LYS 466 Ca -0.14 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.06 1pgj n LYS 466 Cb 0.71 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.69 1pgj n LYS 466 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1pgj s ASP 467 N -0.98 -0.36 0.10 4.39 -1.08 -1.26 -4.95 116.67 112.52 1pgj s ASP 467 Ca 0.00 0.14 0.00 0.00 -0.52 0.00 0.00 52.55 52.17 1pgj s ASP 467 Cb 0.00 0.35 0.00 0.00 -1.46 0.00 0.00 42.92 41.81 1pgj s ASP 467 CO 0.00 -0.52 0.00 0.61 0.52 0.00 0.00 175.17 175.78 1pgj n GLY 468 N 0.09 -1.47 3.92 2.66 0.00 -1.26 -4.90 105.19 104.22 1pgj n GLY 468 Ca -0.09 -1.43 -0.28 0.00 0.00 0.00 0.00 46.02 44.22 1pgj n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pgj s ARG 469 N -1.38 3.56 0.05 1.61 0.52 -1.26 -4.18 118.95 117.88 1pgj s ARG 469 Ca 0.00 -0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.06 1pgj s ARG 469 Cb 0.00 -2.80 -0.02 0.00 0.52 0.00 0.00 34.95 32.65 1pgj s ARG 469 CO 0.00 0.37 -0.17 -2.00 0.02 0.00 0.00 175.30 173.52 1pgj s GLU 470 N -3.24 1.09 -0.09 3.54 2.12 -0.57 -4.91 118.70 116.63 1pgj s GLU 470 Ca 0.40 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.86 1pgj s GLU 470 Cb -0.11 -1.16 0.02 0.00 0.26 0.00 0.00 34.13 33.14 1pgj s GLU 470 CO 0.28 0.29 -0.07 0.45 -0.54 0.00 0.00 175.26 175.67 1pgj s SER 471 N -1.28 1.90 0.40 -1.70 0.15 -1.26 -1.49 113.70 110.41 1pgj s SER 471 Ca 0.04 -0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.21 1pgj s SER 471 Cb -0.09 -0.74 -0.11 0.00 -1.71 0.00 0.00 66.02 63.38 1pgj s SER 471 CO 0.02 -0.10 0.94 0.12 1.20 0.00 0.00 173.24 175.42 1pgj s PHE 472 N 1.49 3.41 -0.52 3.44 5.36 -1.26 -5.02 117.98 124.88 1pgj s PHE 472 Ca 0.00 1.64 -0.21 0.00 -0.96 0.00 0.00 56.93 57.39 1pgj s PHE 472 Cb -0.13 -2.85 0.05 0.00 -0.34 0.00 0.00 43.02 39.74 1pgj s PHE 472 CO -0.05 -0.02 0.77 -0.65 -1.46 0.00 0.00 175.22 173.81 1pgj s GLN 473 N -2.88 3.23 -0.06 10.12 -1.52 -1.26 -4.96 119.66 122.32 1pgj s GLN 473 Ca 0.59 -0.58 -0.06 0.00 -1.95 0.00 0.00 55.36 53.36 1pgj s GLN 473 Cb -0.11 -4.07 -0.04 0.00 -0.22 0.00 0.00 33.01 28.57 1pgj s GLN 473 CO 0.16 -1.32 0.18 -1.58 -0.25 0.00 0.00 175.29 172.48 1pgj s TRP 474 N 3.22 3.58 0.62 0.91 0.52 -1.26 -5.10 118.94 121.43 1pgj s TRP 474 Ca 0.22 0.48 -0.16 0.00 0.02 0.00 0.00 56.10 56.66 1pgj s TRP 474 Cb -0.16 -1.91 -0.02 0.00 -1.15 0.00 0.00 33.47 30.23 1pgj s TRP 474 CO 0.16 0.69 1.12 -1.25 0.02 0.00 0.00 176.95 177.68 1pgj s PRO 475 N -1.47 2.97 0.36 4.98 0.04 -1.26 -4.95 135.00 135.66 1pgj s PRO 475 Ca 0.21 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.44 1pgj s PRO 475 Cb -0.13 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.34 1pgj s PRO 475 CO 0.11 -1.13 1.40 -1.21 0.04 0.00 0.00 177.00 176.21 1pgj s GLU 476 N -3.84 4.20 0.00 4.56 2.02 -1.26 -4.94 118.70 119.44 1pgj s GLU 476 Ca 0.69 2.40 0.05 0.00 0.02 0.00 0.00 54.97 58.12 1pgj s GLU 476 Cb -0.22 -3.00 0.11 0.00 0.10 0.00 0.00 34.13 31.12 1pgj s GLU 476 CO 0.37 -0.39 1.00 1.28 0.02 0.00 0.00 175.26 177.54 1pgj n LEU 477 N 0.58 2.15 0.00 1.80 4.77 -1.26 -5.31 117.00 119.73 1pgj n LEU 477 Ca 0.01 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 1pgj n LEU 477 Cb 0.41 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1pgj n LEU 477 CO 0.61 0.53 0.04 0.00 -1.33 0.00 0.00 177.39 177.23