#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gkf s LYS 11 N 0.00 2.74 -0.26 1.61 1.02 -1.26 -5.11 119.74 118.48 3gkf s LYS 11 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.43 3gkf s LYS 11 Cb 0.00 -2.60 0.05 0.00 -0.52 0.00 0.00 37.83 34.75 3gkf s LYS 11 CO 0.00 0.66 -0.07 0.34 -0.92 0.00 0.00 175.35 175.35 3gkf s ASP 12 N -0.96 4.43 0.00 2.83 2.15 -1.26 -4.95 116.67 118.90 3gkf s ASP 12 Ca 0.14 -1.17 0.25 0.00 0.43 0.00 0.00 52.55 52.20 3gkf s ASP 12 Cb -0.11 -1.62 0.77 0.00 -0.30 0.00 0.00 42.92 41.66 3gkf s ASP 12 CO 0.03 -0.18 1.58 0.49 -0.17 0.00 0.00 175.17 176.92 3gkf n PHE 13 N 4.56 0.09 -3.87 -5.34 3.72 -1.26 -4.95 117.46 110.41 3gkf n PHE 13 Ca -0.15 -0.04 -0.33 0.00 -0.05 0.00 0.00 57.45 56.88 3gkf n PHE 13 Cb 0.44 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.54 -1.63 0.27 -1.08 3.00 -1.26 -4.81 116.66 111.68 3gkf n ARG 14 Ca 0.17 0.35 0.14 0.00 -0.00 0.00 0.00 57.85 58.51 3gkf n ARG 14 Cb 0.42 -3.90 0.75 0.00 0.00 0.00 0.00 32.46 29.72 3gkf n ARG 14 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3gkf h THR 15 N -2.02 0.49 0.00 5.15 1.35 -2.02 -2.41 112.91 113.45 3gkf h THR 15 Ca -0.66 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.69 3gkf h THR 15 Cb 1.38 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3gkf h THR 15 CO 0.54 0.10 0.00 -2.24 -0.25 0.00 0.00 175.52 173.67 3gkf h ASP 16 N 0.00 0.00 -3.80 5.36 2.03 -2.04 -3.41 116.42 114.57 3gkf h ASP 16 Ca -0.00 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.63 3gkf h ASP 16 Cb 0.34 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.47 3gkf h ASP 16 CO 0.01 0.00 -0.79 -1.58 -1.03 0.00 0.00 179.24 175.85 3gkf s GLN 17 N -3.38 2.33 0.02 4.15 0.74 -0.91 -5.10 119.66 117.51 3gkf s GLN 17 Ca 0.05 -1.29 -0.20 0.00 0.05 0.00 0.00 55.36 53.96 3gkf s GLN 17 Cb 0.09 -2.91 -0.06 0.00 1.10 0.00 0.00 33.01 31.23 3gkf s GLN 17 CO 0.51 -0.55 0.59 -1.25 -0.55 0.00 0.00 175.29 174.04 3gkf s PRO 18 N 1.14 4.28 0.27 1.67 0.04 -1.26 -4.91 135.00 136.22 3gkf s PRO 18 Ca -0.07 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 61.39 3gkf s PRO 18 Cb -0.19 -3.31 -0.13 0.00 0.04 0.00 0.00 34.50 30.91 3gkf s PRO 18 CO -0.05 0.45 1.50 0.94 0.04 0.00 0.00 177.00 179.88 3gkf n GLN 19 N 2.42 2.36 -4.35 4.56 7.27 -1.26 -5.00 117.38 123.38 3gkf n GLN 19 Ca -0.08 0.84 -0.19 0.00 0.07 0.00 0.00 57.00 57.64 3gkf n GLN 19 Cb 0.51 -2.56 -0.14 0.00 2.41 0.00 0.00 30.24 30.47 3gkf n GLN 19 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3gkf s LYS 20 N -0.48 0.83 -0.12 3.69 2.20 -1.26 -5.13 119.74 119.47 3gkf s LYS 20 Ca 0.66 -0.56 -0.26 0.00 -0.36 0.00 0.00 55.97 55.44 3gkf s LYS 20 Cb -0.57 -0.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.93 3gkf s LYS 20 CO 0.49 0.20 0.86 -0.80 -0.36 0.00 0.00 175.35 175.75 3gkf s ASN 21 N -0.75 7.06 -0.11 1.43 0.01 -1.26 -5.03 114.94 116.30 3gkf s ASN 21 Ca 0.01 1.30 -0.30 0.00 -0.71 0.00 0.00 52.86 53.17 3gkf s ASN 21 Cb -0.06 -2.48 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 3gkf s ASN 21 CO 0.00 -0.34 1.24 -0.63 -1.51 0.00 0.00 177.10 175.86 3gkf s ILE 22 N 1.76 4.24 0.57 0.60 1.09 -1.26 -5.00 121.20 123.19 3gkf s ILE 22 Ca 0.42 1.53 -0.20 0.00 -1.10 0.00 0.00 60.65 61.30 3gkf s ILE 22 Cb -0.18 -3.99 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 3gkf s ILE 22 CO 0.16 -0.07 1.22 -2.84 -0.10 0.00 0.00 174.94 173.31 3gkf s PRO 23 N 2.88 3.11 -0.35 2.79 0.02 -1.26 -5.01 135.00 137.18 3gkf s PRO 23 Ca 0.56 1.86 -0.09 0.00 0.02 0.00 0.00 61.00 63.35 3gkf s PRO 23 Cb -0.24 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.28 3gkf s PRO 23 CO 0.19 -1.10 0.15 0.12 -0.33 0.00 0.00 177.00 176.02 3gkf s PHE 24 N -1.56 3.24 -0.89 6.54 5.36 -1.26 -4.99 117.98 124.42 3gkf s PHE 24 Ca 0.75 -1.14 0.24 0.00 -0.96 0.00 0.00 56.93 55.81 3gkf s PHE 24 Cb -0.31 -2.35 0.24 0.00 -0.34 0.00 0.00 43.02 40.26 3gkf s PHE 24 CO 0.34 -0.67 1.21 0.25 -1.46 0.00 0.00 175.22 174.90 3gkf n THR 25 N 4.91 0.06 -1.63 0.12 -2.24 -1.26 -4.56 114.28 109.67 3gkf n THR 25 Ca -0.12 -0.07 -0.48 0.00 -2.27 0.00 0.00 64.05 61.11 3gkf n THR 25 Cb 0.46 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 3gkf n THR 25 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3gkf n LEU 26 N -1.65 2.43 -4.65 3.22 7.94 -1.26 -4.72 117.00 118.31 3gkf n LEU 26 Ca 0.04 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.64 3gkf n LEU 26 Cb 0.36 -1.33 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 3gkf n LEU 26 CO 0.38 -0.73 1.55 -0.75 -1.11 0.00 0.00 177.39 176.73 3gkf s LYS 27 N 0.21 4.03 -0.06 1.96 2.20 -1.26 -1.99 119.74 124.83 3gkf s LYS 27 Ca 0.76 2.38 0.00 0.00 -0.36 0.00 0.00 55.97 58.75 3gkf s LYS 27 Cb -0.77 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 31.42 3gkf s LYS 27 CO 0.46 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 3gkf n GLY 28 N 4.55 0.43 0.73 5.54 0.00 -1.23 -3.65 105.19 111.55 3gkf n GLY 28 Ca 0.20 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 46.16 3gkf n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n GLY 30 N -1.13 -1.53 2.07 0.00 0.00 -1.26 -3.95 105.19 99.39 3gkf n GLY 30 Ca 0.23 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3gkf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 31 N -1.57 5.07 -2.52 4.61 0.00 -1.26 -4.95 120.51 119.88 3gkf n ALA 31 Ca 0.06 -3.83 -0.30 0.00 0.00 0.00 0.00 53.44 49.38 3gkf n ALA 31 Cb 0.36 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.60 2.83 1.06 0.00 1.43 -1.25 -5.11 118.68 114.04 3gkf s LEU 32 Ca 0.51 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 3gkf s LEU 32 Cb 0.41 -1.66 0.18 0.00 0.03 0.00 0.00 46.19 45.15 3gkf s LEU 32 CO 0.02 0.18 0.76 -0.67 0.23 0.00 0.00 176.35 176.87 3gkf n ASP 33 N 0.80 -1.34 -0.11 2.29 2.03 -1.26 -4.64 116.55 114.32 3gkf n ASP 33 Ca -0.15 0.09 -0.07 0.00 0.52 0.00 0.00 54.79 55.18 3gkf n ASP 33 Cb 0.52 -1.26 0.01 0.00 -0.72 0.00 0.00 41.12 39.68 3gkf n ASP 33 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 3gkf h TRP 34 N -2.18 0.32 -0.58 -0.67 7.01 -1.99 -1.01 115.95 116.87 3gkf h TRP 34 Ca -0.52 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.49 3gkf h TRP 34 Cb 1.31 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 28.25 3gkf h TRP 34 CO 0.33 0.17 0.33 0.78 -2.79 0.00 0.00 178.44 177.26 3gkf h GLY 35 N 0.36 0.85 0.94 2.65 0.00 -1.92 0.37 103.07 106.32 3gkf h GLY 35 Ca 0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3gkf h GLY 35 CO -0.12 0.36 0.08 1.98 0.00 0.00 0.00 176.54 178.84 3gkf h MET 36 N 0.78 0.66 -0.13 4.80 1.85 -1.58 -0.88 114.93 120.43 3gkf h MET 36 Ca 0.21 -0.17 -0.05 0.00 -0.61 0.00 0.00 59.70 59.08 3gkf h MET 36 Cb 0.01 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 3gkf h MET 36 CO -0.04 0.69 -0.13 1.96 -0.40 0.00 0.00 176.91 178.99 3gkf h GLN 37 N 0.52 0.20 -0.40 0.39 4.20 -0.60 -1.85 115.11 117.56 3gkf h GLN 37 Ca 0.12 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3gkf h GLN 37 Cb 0.34 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 3gkf h GLN 37 CO 0.00 0.34 0.11 1.03 -0.67 0.00 0.00 178.83 179.64 3gkf h SER 38 N 0.19 0.60 -0.26 1.46 0.87 0.65 -0.92 113.55 116.13 3gkf h SER 38 Ca 0.04 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.36 3gkf h SER 38 Cb 0.35 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.15 3gkf h SER 38 CO 0.02 0.66 0.09 0.03 -0.53 0.00 0.00 176.83 177.10 3gkf h ARG 39 N 0.50 0.40 -0.56 2.24 3.08 -0.69 -1.84 114.38 117.51 3gkf h ARG 39 Ca 0.13 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.11 3gkf h ARG 39 Cb 0.29 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3gkf h ARG 39 CO -0.00 0.46 0.37 -0.07 -1.07 0.00 0.00 179.97 179.66 3gkf h LEU 40 N 0.25 0.59 -1.13 3.04 3.38 -1.25 -1.10 115.31 119.10 3gkf h LEU 40 Ca 0.08 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3gkf h LEU 40 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3gkf h LEU 40 CO -0.00 0.42 -0.28 0.28 0.09 0.00 0.00 178.44 178.94 3gkf h SER 41 N 0.69 0.00 -0.55 -0.43 0.02 -0.55 0.20 113.55 112.92 3gkf h SER 41 Ca 0.21 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3gkf h SER 41 Cb 0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 3gkf h SER 41 CO -0.05 0.28 -0.08 0.03 -1.14 0.00 0.00 176.83 175.87 3gkf h ARG 42 N 0.00 1.03 0.02 3.45 3.08 -0.41 -3.35 114.38 118.21 3gkf h ARG 42 Ca -0.00 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 3gkf h ARG 42 Cb 0.76 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3gkf h ARG 42 CO 0.04 1.06 -0.01 0.82 -1.07 0.00 0.00 179.97 180.80 3gkf h ILE 43 N 0.91 1.29 -3.80 2.04 2.04 -1.01 -3.44 117.51 115.53 3gkf h ILE 43 Ca 0.15 -1.82 -0.66 0.00 1.00 0.00 0.00 64.86 63.53 3gkf h ILE 43 Cb 0.65 2.37 -0.18 0.00 -0.74 0.00 0.00 36.82 38.92 3gkf h ILE 43 CO 0.04 0.41 -0.48 -0.36 0.00 0.00 0.00 178.15 177.77 3gkf s PHE 44 N -2.43 3.22 0.09 1.37 0.08 0.59 -4.49 117.98 116.41 3gkf s PHE 44 Ca -0.14 -0.01 -0.34 0.00 0.12 0.00 0.00 56.93 56.55 3gkf s PHE 44 Cb -0.02 -2.44 -0.14 0.00 -0.57 0.00 0.00 43.02 39.85 3gkf s PHE 44 CO 0.53 -0.26 1.63 -1.71 -0.10 0.00 0.00 175.22 175.30 3gkf n ASN 45 N 5.11 3.02 -0.27 1.36 2.85 0.05 -4.50 115.26 122.89 3gkf n ASN 45 Ca -0.13 1.06 -0.07 0.00 -0.11 0.00 0.00 54.58 55.33 3gkf n ASN 45 Cb 0.51 -1.39 0.05 0.00 1.24 0.00 0.00 39.78 40.20 3gkf n ASN 45 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gkf h PRO 46 N 6.55 1.16 0.31 1.20 0.11 -1.90 2.15 132.00 141.58 3gkf h PRO 46 Ca -0.46 -0.26 -0.02 0.00 0.11 0.00 0.00 66.00 65.38 3gkf h PRO 46 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gkf h PRO 46 CO 0.89 0.99 -0.15 0.87 -0.21 0.00 0.00 178.00 180.40 3gkf h LYS 47 N 1.11 -0.40 0.00 1.05 1.79 -1.98 -3.31 116.57 114.83 3gkf h LYS 47 Ca 0.24 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3gkf h LYS 47 Cb 0.33 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3gkf h LYS 47 CO -0.00 -0.26 -1.26 0.25 -1.08 0.00 0.00 179.45 177.10 3gkf n THR 48 N -5.26 0.03 -1.97 -0.16 -2.24 -1.14 -4.97 114.28 98.56 3gkf n THR 48 Ca -0.10 -0.17 -0.13 0.00 -2.27 0.00 0.00 64.05 61.38 3gkf n THR 48 Cb 0.19 0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 3gkf n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gkf n GLY 49 N 1.42 0.33 3.22 3.38 0.00 0.73 -4.97 105.19 109.29 3gkf n GLY 49 Ca 0.02 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 3gkf n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkf s LYS 50 N -4.15 1.15 -0.05 1.61 1.02 -1.18 -4.79 119.74 113.36 3gkf s LYS 50 Ca 0.00 -1.54 -0.10 0.00 0.02 0.00 0.00 55.97 54.35 3gkf s LYS 50 Cb 0.00 0.28 0.02 0.00 -0.52 0.00 0.00 37.83 37.61 3gkf s LYS 50 CO 0.00 -0.37 0.24 -0.08 -0.92 0.00 0.00 175.35 174.22 3gkf s THR 51 N -4.11 0.04 -0.30 2.17 -1.32 -0.33 -0.77 115.64 111.02 3gkf s THR 51 Ca 0.33 -0.32 -0.07 0.00 -1.21 0.00 0.00 61.69 60.43 3gkf s THR 51 Cb 0.06 -0.46 0.02 0.00 -1.51 0.00 0.00 72.50 70.62 3gkf s THR 51 CO 0.09 -0.17 0.08 -0.69 -2.21 0.00 0.00 174.62 171.72 3gkf s VAL 52 N -0.68 3.89 -0.16 5.08 1.01 -1.26 -2.32 120.40 125.96 3gkf s VAL 52 Ca -0.08 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3gkf s VAL 52 Cb -0.04 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 3gkf s VAL 52 CO 0.02 0.02 -0.03 -0.32 0.00 0.00 0.00 175.10 174.78 3gkf s MET 53 N 1.47 3.67 -0.49 2.72 0.00 -0.67 -0.76 119.30 125.24 3gkf s MET 53 Ca 0.01 -0.52 -0.12 0.00 0.00 0.00 0.00 55.69 55.07 3gkf s MET 53 Cb -0.18 -2.93 0.12 0.00 0.00 0.00 0.00 34.83 31.85 3gkf s MET 53 CO 0.02 0.23 0.39 -1.17 0.00 0.00 0.00 175.02 174.49 3gkf s LEU 54 N 0.40 5.83 -0.21 4.11 2.96 -0.23 -3.95 118.68 127.60 3gkf s LEU 54 Ca -0.04 -1.83 -0.09 0.00 -0.22 0.00 0.00 54.13 51.96 3gkf s LEU 54 Cb -0.14 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 3gkf s LEU 54 CO 0.03 -0.74 0.10 0.00 -1.32 0.00 0.00 176.35 174.42 3gkf s ALA 55 N 1.46 3.46 -0.34 5.97 0.00 -1.26 -1.71 121.76 129.33 3gkf s ALA 55 Ca 0.05 -0.84 0.14 0.00 0.00 0.00 0.00 51.96 51.31 3gkf s ALA 55 Cb -0.27 -2.09 0.46 0.00 0.00 0.00 0.00 23.12 21.21 3gkf s ALA 55 CO 0.01 -0.03 1.03 1.97 0.00 0.00 0.00 175.76 178.74 3gkf n PHE 56 N 3.95 1.88 0.89 0.00 1.16 0.56 -4.69 117.46 121.22 3gkf n PHE 56 Ca -0.16 -2.77 0.12 0.00 -1.87 0.00 0.00 57.45 52.77 3gkf n PHE 56 Cb 0.52 -0.28 0.16 0.00 -1.61 0.00 0.00 39.48 38.27 3gkf n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gkf n ASP 57 N -0.28 2.98 0.29 5.98 5.75 -1.23 -4.48 116.55 125.56 3gkf n ASP 57 Ca 0.19 -1.96 0.14 0.00 -0.01 0.00 0.00 54.79 53.15 3gkf n ASP 57 Cb 0.78 -0.05 0.87 0.00 -1.03 0.00 0.00 41.12 41.69 3gkf n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gkf h HIS 58 N 4.48 0.00 -0.08 2.11 -0.00 -1.92 -0.48 115.15 119.25 3gkf h HIS 58 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.39 3gkf h HIS 58 Cb 0.96 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.37 3gkf h HIS 58 CO 0.05 0.02 0.58 0.78 -0.00 0.00 0.00 177.93 179.36 3gkf h GLY 59 N 0.10 0.00 1.66 2.45 0.00 -1.79 -1.95 103.07 103.54 3gkf h GLY 59 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3gkf h GLY 59 CO 0.00 0.00 -0.04 0.10 0.00 0.00 0.00 176.54 176.60 3gkf h TYR 60 N 0.00 0.44 0.00 5.60 -0.00 -1.37 -2.05 116.97 119.58 3gkf h TYR 60 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.72 3gkf h TYR 60 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.80 3gkf h TYR 60 CO 0.00 0.47 0.00 1.97 -0.00 0.00 0.00 178.16 180.60 3gkf n PHE 61 N -4.28 0.00 0.25 0.10 1.16 -1.00 -4.74 117.46 108.95 3gkf n PHE 61 Ca 0.01 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.62 3gkf n PHE 61 Cb 0.25 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.07 3gkf n PHE 61 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gkf n GLN 62 N -0.19 3.32 0.00 3.97 6.02 -0.77 -1.71 117.38 128.02 3gkf n GLN 62 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3gkf n GLN 62 Cb 0.05 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.37 3gkf n GLN 62 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkf n GLY 63 N 1.43 -0.53 3.42 1.08 0.00 -0.79 -4.35 105.19 105.45 3gkf n GLY 63 Ca 0.01 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 3gkf n GLY 63 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gkf n PRO 64 N -0.02 1.85 -0.85 1.61 -0.02 -1.26 -4.05 135.00 132.25 3gkf n PRO 64 Ca 0.00 -2.43 -0.32 0.00 -2.02 0.00 0.00 63.50 58.73 3gkf n PRO 64 Cb 0.00 -3.47 0.15 0.00 -0.02 0.00 0.00 33.50 30.16 3gkf n PRO 64 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gkf n THR 65 N 7.03 0.76 -1.72 3.45 -1.04 -1.26 -4.68 114.28 116.81 3gkf n THR 65 Ca 0.47 -0.10 -0.42 0.00 -2.04 0.00 0.00 64.05 61.96 3gkf n THR 65 Cb 0.45 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.89 3gkf n THR 65 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3gkf s THR 66 N -2.42 2.42 0.00 12.58 2.01 -1.26 -1.33 115.64 127.64 3gkf s THR 66 Ca 0.68 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.73 3gkf s THR 66 Cb -0.25 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3gkf s THR 66 CO 0.56 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3gkf n GLY 67 N 4.17 2.26 0.84 4.40 0.00 -1.26 -4.79 105.19 110.81 3gkf n GLY 67 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.27 3gkf n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gkf n LEU 68 N 0.00 3.55 0.03 0.99 4.77 -0.44 -4.64 117.00 121.27 3gkf n LEU 68 Ca 0.00 -2.53 -0.10 0.00 -0.03 0.00 0.00 56.01 53.35 3gkf n LEU 68 Cb 0.00 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 3gkf n LEU 68 CO 0.00 0.71 0.78 -0.33 -1.33 0.00 0.00 177.39 177.22 3gkf h GLU 69 N 2.09 -0.18 -3.10 3.23 3.07 -1.79 -3.34 114.58 114.56 3gkf h GLU 69 Ca 0.00 0.01 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 1.14 0.04 -0.41 0.00 -0.84 0.00 0.00 28.75 28.69 3gkf h GLU 69 CO 0.13 -0.12 -0.69 1.03 -1.40 0.00 0.00 179.01 177.96 3gkf s ARG 70 N -6.15 1.68 0.26 2.33 1.81 -1.26 -4.93 118.95 112.69 3gkf s ARG 70 Ca -0.14 -2.43 -0.02 0.00 -1.72 0.00 0.00 55.73 51.42 3gkf s ARG 70 Cb 0.09 -2.78 0.48 0.00 -0.45 0.00 0.00 34.95 32.29 3gkf s ARG 70 CO 0.67 -1.18 1.80 0.82 -0.68 0.00 0.00 175.30 176.73 3gkf h ILE 71 N 5.16 0.85 0.00 1.52 1.08 -1.88 -0.64 117.51 123.59 3gkf h ILE 71 Ca 0.01 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3gkf h ILE 71 Cb 0.89 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3gkf h ILE 71 CO 0.58 0.14 -0.03 -2.24 -0.69 0.00 0.00 178.15 175.91 3gkf h ASP 72 N 0.78 0.00 0.00 1.72 2.03 -1.92 -0.73 116.42 118.30 3gkf h ASP 72 Ca 0.44 0.00 -0.11 0.00 -0.73 0.00 0.00 57.03 56.63 3gkf h ASP 72 Cb 0.50 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.98 3gkf h ASP 72 CO -0.29 0.03 -1.16 -0.38 -1.03 0.00 0.00 179.24 176.42 3gkf n ILE 73 N -3.90 1.26 -0.02 4.15 5.41 -0.87 -4.14 119.36 121.25 3gkf n ILE 73 Ca -0.03 0.05 -0.11 0.00 1.00 0.00 0.00 62.75 63.67 3gkf n ILE 73 Cb 0.12 -1.96 -0.05 0.00 -0.71 0.00 0.00 39.64 37.04 3gkf n ILE 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3gkf h ASN 74 N -0.66 0.15 0.28 4.38 -1.24 -1.18 -3.35 115.58 113.96 3gkf h ASN 74 Ca -0.17 -0.03 -0.29 0.00 0.71 0.00 0.00 56.30 56.52 3gkf h ASN 74 Cb 0.93 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.89 3gkf h ASN 74 CO -0.10 0.14 -1.98 -0.38 -1.29 0.00 0.00 177.43 173.82 3gkf n ILE 75 N -4.98 1.34 -0.29 2.57 2.08 -0.39 -4.42 119.36 115.28 3gkf n ILE 75 Ca -0.05 -0.79 0.10 0.00 0.56 0.00 0.00 62.75 62.58 3gkf n ILE 75 Cb 0.04 -0.67 0.25 0.00 -0.75 0.00 0.00 39.64 38.52 3gkf n ILE 75 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gkf h ALA 76 N 1.14 1.25 0.00 -1.39 0.00 -1.40 0.57 119.26 119.43 3gkf h ALA 76 Ca -0.36 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 76 Cb 1.98 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 3gkf h ALA 76 CO 0.05 -0.31 -0.02 -1.35 0.00 0.00 0.00 179.25 177.62 3gkf h PRO 77 N 0.38 0.00 0.00 0.00 0.10 -1.77 -3.11 132.00 127.60 3gkf h PRO 77 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.60 3gkf h PRO 77 Cb 0.89 0.00 0.00 0.00 0.10 0.00 0.00 31.00 31.99 3gkf h PRO 77 CO -0.50 0.02 -0.00 -0.07 0.10 0.00 0.00 178.00 177.55 3gkf h LEU 78 N 0.00 0.00 0.08 2.35 3.38 -0.08 -3.38 115.31 117.65 3gkf h LEU 78 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gkf h LEU 78 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gkf h LEU 78 CO 0.00 0.00 -0.04 -0.26 0.09 0.00 0.00 178.44 178.23 3gkf h PHE 79 N 0.00 -0.11 -0.47 1.13 0.04 -1.55 -2.46 116.94 113.52 3gkf h PHE 79 Ca 0.00 -0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.91 3gkf h PHE 79 Cb 0.99 0.04 -0.02 0.00 2.20 0.00 0.00 35.95 39.16 3gkf h PHE 79 CO 0.00 -0.07 0.52 1.05 -0.60 0.00 0.00 178.31 179.22 3gkf h GLU 80 N -0.11 0.00 -0.64 1.51 4.11 -1.83 -0.22 114.58 117.40 3gkf h GLU 80 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3gkf h GLU 80 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3gkf h GLU 80 CO 0.01 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.81 3gkf n HIS 81 N -3.65 1.36 -4.23 2.06 8.25 -0.93 -4.87 115.22 113.21 3gkf n HIS 81 Ca 0.09 -0.53 -0.29 0.00 -0.26 0.00 0.00 57.72 56.73 3gkf n HIS 81 Cb 0.71 -0.25 -0.09 0.00 1.12 0.00 0.00 29.99 31.48 3gkf n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gkf s ALA 82 N -1.88 3.00 0.00 -1.41 0.00 -0.10 -4.89 121.76 116.48 3gkf s ALA 82 Ca 0.45 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 3gkf s ALA 82 Cb 0.29 -0.89 -0.30 0.00 0.00 0.00 0.00 23.12 22.22 3gkf s ALA 82 CO 0.21 0.60 1.00 -0.44 0.00 0.00 0.00 175.76 177.13 3gkf h ASP 83 N 3.39 0.65 -4.00 0.00 3.32 -1.25 -3.47 116.42 115.06 3gkf h ASP 83 Ca -0.48 -0.88 -0.18 0.00 0.02 0.00 0.00 57.03 55.50 3gkf h ASP 83 Cb 1.18 -0.21 -0.25 0.00 0.22 0.00 0.00 39.33 40.26 3gkf h ASP 83 CO 0.53 1.48 -0.54 0.54 -1.72 0.00 0.00 179.24 179.53 3gkf s VAL 84 N -2.73 0.02 0.04 -1.35 0.11 -1.10 -4.12 120.40 111.27 3gkf s VAL 84 Ca -0.12 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.80 3gkf s VAL 84 Cb 0.03 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 3gkf s VAL 84 CO 0.88 -0.07 0.20 -0.76 -3.33 0.00 0.00 175.10 172.01 3gkf s LEU 85 N -0.19 4.34 -0.12 2.54 1.43 0.22 -1.06 118.68 125.84 3gkf s LEU 85 Ca -0.03 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.33 3gkf s LEU 85 Cb -0.02 -2.86 0.04 0.00 0.03 0.00 0.00 46.19 43.38 3gkf s LEU 85 CO 0.00 0.19 0.01 -0.32 0.23 0.00 0.00 176.35 176.47 3gkf s MET 86 N -2.37 0.66 0.35 1.70 -2.45 -0.69 -0.06 119.30 116.44 3gkf s MET 86 Ca 0.33 -0.09 -0.03 0.00 -1.25 0.00 0.00 55.69 54.65 3gkf s MET 86 Cb -0.13 -1.40 0.01 0.00 1.25 0.00 0.00 34.83 34.56 3gkf s MET 86 CO 0.26 -0.42 0.51 0.00 1.05 0.00 0.00 175.02 176.42 3gkf s THR 88 N -2.72 3.51 0.30 0.00 -4.23 -1.26 -0.90 115.64 110.33 3gkf s THR 88 Ca 0.27 0.49 0.12 0.00 -1.18 0.00 0.00 61.69 61.39 3gkf s THR 88 Cb -0.01 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.41 3gkf s THR 88 CO 0.19 -0.64 1.70 0.08 -0.54 0.00 0.00 174.62 175.41 3gkf h ARG 89 N -0.70 0.00 0.21 3.99 0.11 -1.97 -0.75 114.38 115.27 3gkf h ARG 89 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3gkf h ARG 89 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3gkf h ARG 89 CO 0.63 0.52 -0.10 0.78 0.10 0.00 0.00 179.97 181.89 3gkf h GLY 90 N 1.61 -0.29 0.91 0.08 0.00 -1.96 -2.16 103.07 101.26 3gkf h GLY 90 Ca -0.01 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3gkf h GLY 90 CO 0.07 -0.11 0.08 -2.22 0.00 0.00 0.00 176.54 174.36 3gkf h ILE 91 N -0.54 1.22 -0.07 2.60 1.08 -1.92 -2.61 117.51 117.27 3gkf h ILE 91 Ca -0.03 -0.75 0.04 0.00 -0.39 0.00 0.00 64.86 63.73 3gkf h ILE 91 Cb 0.40 1.06 -0.06 0.00 -3.07 0.00 0.00 36.82 35.15 3gkf h ILE 91 CO 0.05 0.25 -0.44 0.25 -0.69 0.00 0.00 178.15 177.57 3gkf h LEU 92 N 0.40 -1.36 -0.98 1.44 5.85 -1.12 0.89 115.31 120.42 3gkf h LEU 92 Ca 0.11 0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 3gkf h LEU 92 Cb 0.30 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3gkf h LEU 92 CO 0.00 -0.45 0.53 0.03 -0.34 0.00 0.00 178.44 178.21 3gkf h ARG 93 N -0.55 1.23 0.13 1.25 3.08 -1.34 -2.50 114.38 115.68 3gkf h ARG 93 Ca 0.06 -0.12 -0.22 0.00 0.07 0.00 0.00 59.98 59.77 3gkf h ARG 93 Cb 0.65 -0.25 0.02 0.00 0.08 0.00 0.00 29.97 30.47 3gkf h ARG 93 CO -0.37 0.87 -0.94 0.66 -1.07 0.00 0.00 179.97 179.12 3gkf h SER 94 N 1.25 0.60 0.00 7.04 4.64 -1.02 -3.42 113.55 122.64 3gkf h SER 94 Ca 0.32 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3gkf h SER 94 Cb -0.03 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3gkf h SER 94 CO -0.06 1.44 0.00 1.33 -0.87 0.00 0.00 176.83 178.68 3gkf n VAL 95 N -4.03 0.07 -3.62 0.95 0.24 0.25 -4.96 118.33 107.23 3gkf n VAL 95 Ca -0.14 -0.27 -0.38 0.00 -2.04 0.00 0.00 64.34 61.51 3gkf n VAL 95 Cb 0.86 1.42 -0.11 0.00 -1.47 0.00 0.00 33.84 34.54 3gkf n VAL 95 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3gkf s VAL 96 N -0.07 5.00 0.13 3.34 1.01 -0.94 -4.70 120.40 124.16 3gkf s VAL 96 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3gkf s VAL 96 Cb 0.00 -3.45 -0.08 0.00 0.00 0.00 0.00 36.38 32.85 3gkf s VAL 96 CO 0.00 0.17 1.38 -2.84 0.00 0.00 0.00 175.10 173.81 3gkf s PRO 97 N 1.70 4.33 0.35 2.72 0.02 -1.26 -4.71 135.00 138.14 3gkf s PRO 97 Ca 0.06 2.07 0.10 0.00 0.02 0.00 0.00 61.00 63.26 3gkf s PRO 97 Cb -0.16 -3.24 0.86 0.00 0.02 0.00 0.00 34.50 31.97 3gkf s PRO 97 CO 0.09 -0.41 1.82 -1.35 -0.33 0.00 0.00 177.00 176.82 3gkf h PRO 98 N 6.59 0.63 0.00 5.54 0.11 -1.96 0.13 132.00 143.05 3gkf h PRO 98 Ca -0.42 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gkf h PRO 98 Cb 1.21 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gkf h PRO 98 CO 0.85 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 179.06 3gkf n ALA 99 N -2.41 1.88 0.26 -0.75 0.00 -1.26 -2.33 120.51 115.89 3gkf n ALA 99 Ca 0.21 -0.07 0.18 0.00 0.00 0.00 0.00 53.44 53.75 3gkf n ALA 99 Cb 0.59 -1.22 0.91 0.00 0.00 0.00 0.00 19.45 19.73 3gkf n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gkf h THR 100 N 0.00 0.34 -6.56 0.00 2.02 -1.10 -3.44 112.91 104.17 3gkf h THR 100 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.66 3gkf h THR 100 Cb 0.07 0.87 -0.13 0.00 -1.74 0.00 0.00 68.15 67.22 3gkf h THR 100 CO 0.00 0.00 -0.81 -3.20 0.37 0.00 0.00 175.52 171.88 3gkf n ASN 101 N -3.57 -3.75 -4.31 4.18 5.15 -0.98 -4.87 115.26 107.10 3gkf n ASN 101 Ca -0.00 -0.92 -0.28 0.00 -0.60 0.00 0.00 54.58 52.78 3gkf n ASN 101 Cb 0.25 -3.23 -0.14 0.00 -0.53 0.00 0.00 39.78 36.13 3gkf n ASN 101 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3gkf s ARG 102 N -6.78 1.52 0.39 1.20 6.06 -1.26 -5.12 118.95 114.95 3gkf s ARG 102 Ca 0.67 -1.09 -0.27 0.00 -2.50 0.00 0.00 55.73 52.55 3gkf s ARG 102 Cb -0.35 -1.73 -0.09 0.00 0.06 0.00 0.00 34.95 32.83 3gkf s ARG 102 CO 0.89 0.44 1.31 -2.14 -2.50 0.00 0.00 175.30 173.29 3gkf s PRO 103 N -1.41 4.07 0.08 5.12 0.02 -1.26 -4.82 135.00 136.80 3gkf s PRO 103 Ca 0.10 2.18 0.10 0.00 0.02 0.00 0.00 61.00 63.40 3gkf s PRO 103 Cb -0.10 -2.84 -0.03 0.00 0.02 0.00 0.00 34.50 31.55 3gkf s PRO 103 CO 0.03 -0.42 -0.26 0.14 -0.33 0.00 0.00 177.00 176.16 3gkf s VAL 104 N -1.23 2.16 -0.38 3.83 -7.23 -1.26 -0.61 120.40 115.68 3gkf s VAL 104 Ca 0.55 -1.53 -0.07 0.00 -1.81 0.00 0.00 61.98 59.12 3gkf s VAL 104 Cb -0.39 -1.88 0.07 0.00 0.56 0.00 0.00 36.38 34.75 3gkf s VAL 104 CO 0.50 0.25 0.18 -0.69 -0.31 0.00 0.00 175.10 175.02 3gkf s VAL 105 N -0.91 3.82 0.10 1.32 1.01 0.92 -0.96 120.40 125.70 3gkf s VAL 105 Ca 0.12 -1.41 -0.31 0.00 0.00 0.00 0.00 61.98 60.39 3gkf s VAL 105 Cb -0.10 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 3gkf s VAL 105 CO 0.04 -0.39 1.26 -0.76 0.00 0.00 0.00 175.10 175.25 3gkf s LEU 106 N 1.36 4.38 -0.10 3.92 1.43 -0.43 -3.42 118.68 125.82 3gkf s LEU 106 Ca 0.02 2.16 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 3gkf s LEU 106 Cb -0.21 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.39 3gkf s LEU 106 CO 0.01 -0.51 1.38 -0.60 0.23 0.00 0.00 176.35 176.86 3gkf s ARG 107 N 0.83 4.23 -0.12 1.70 6.06 -0.08 -0.24 118.95 131.33 3gkf s ARG 107 Ca 0.60 1.85 0.17 0.00 -2.50 0.00 0.00 55.73 55.85 3gkf s ARG 107 Cb -0.33 -3.78 0.28 0.00 0.06 0.00 0.00 34.95 31.18 3gkf s ARG 107 CO 0.31 -0.71 1.14 0.00 -2.50 0.00 0.00 175.30 173.55 3gkf n ALA 108 N 6.47 2.31 -2.55 6.12 0.00 0.34 -4.53 120.51 128.67 3gkf n ALA 108 Ca 0.14 -2.55 -0.26 0.00 0.00 0.00 0.00 53.44 50.77 3gkf n ALA 108 Cb 0.44 -0.39 -0.11 0.00 0.00 0.00 0.00 19.45 19.40 3gkf n ALA 108 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gkf s SER 109 N -2.77 3.67 0.00 0.00 1.04 -1.20 0.13 113.70 114.56 3gkf s SER 109 Ca 0.30 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.51 3gkf s SER 109 Cb 0.27 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.05 3gkf s SER 109 CO 0.02 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3gkf n GLY 110 N -0.80 -0.72 2.16 7.32 0.00 -0.59 -4.62 105.19 107.94 3gkf n GLY 110 Ca -0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 46.02 45.03 3gkf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 111 N 0.00 -0.03 -2.57 4.61 0.00 -1.26 0.23 120.51 121.48 3gkf n ALA 111 Ca 0.00 0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 3gkf n ALA 111 Cb 0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 3gkf n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gkf s ASN 112 N -2.50 4.72 0.19 0.00 4.22 -1.23 -4.75 114.94 115.59 3gkf s ASN 112 Ca 0.00 -0.70 0.04 0.00 -2.14 0.00 0.00 52.86 50.06 3gkf s ASN 112 Cb 0.00 -0.81 -0.05 0.00 1.28 0.00 0.00 41.25 41.67 3gkf s ASN 112 CO 0.00 -0.21 -0.06 -0.94 -2.04 0.00 0.00 177.10 173.86 3gkf s SER 113 N -3.81 1.83 0.00 3.54 1.04 -1.26 -4.45 113.70 110.59 3gkf s SER 113 Ca 0.36 -1.11 0.16 0.00 0.48 0.00 0.00 55.95 55.84 3gkf s SER 113 Cb -0.04 -0.00 0.86 0.00 0.10 0.00 0.00 66.02 66.94 3gkf s SER 113 CO 0.22 -0.41 1.46 2.30 0.98 0.00 0.00 173.24 177.79 3gkf n ILE 114 N -0.30 0.41 1.18 -1.02 -5.35 -0.70 -2.70 119.36 110.88 3gkf n ILE 114 Ca -0.08 0.10 0.12 0.00 -0.27 0.00 0.00 62.75 62.63 3gkf n ILE 114 Cb 0.62 -0.84 0.29 0.00 -1.74 0.00 0.00 39.64 37.97 3gkf n ILE 114 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gkf n LEU 115 N -1.22 1.21 0.00 7.28 4.77 -1.26 -4.95 117.00 122.82 3gkf n LEU 115 Ca 0.09 -0.36 -0.02 0.00 -0.03 0.00 0.00 56.01 55.69 3gkf n LEU 115 Cb 0.11 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3gkf n LEU 115 CO 0.12 0.23 -0.01 0.00 -1.33 0.00 0.00 177.39 176.40 3gkf n ALA 116 N -0.57 0.07 -1.70 -1.18 0.00 -1.10 -5.11 120.51 110.93 3gkf n ALA 116 Ca 0.11 -0.19 -0.43 0.00 0.00 0.00 0.00 53.44 52.93 3gkf n ALA 116 Cb 0.37 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 3gkf n ALA 116 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gkf n GLU 117 N -0.06 2.69 -0.04 0.00 4.07 -1.26 -4.75 120.64 121.29 3gkf n GLU 117 Ca 0.01 0.97 -0.06 0.00 -0.06 0.00 0.00 57.16 58.02 3gkf n GLU 117 Cb 0.06 -2.83 0.14 0.00 -0.06 0.00 0.00 31.44 28.75 3gkf n GLU 117 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3gkf h LEU 118 N 7.37 0.65 0.00 4.31 5.85 -1.96 -3.00 115.31 128.54 3gkf h LEU 118 Ca -0.45 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.05 3gkf h LEU 118 Cb 1.22 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3gkf h LEU 118 CO 0.95 0.87 0.00 -1.54 -0.34 0.00 0.00 178.44 178.38 3gkf n SER 119 N -4.11 0.00 -4.26 1.25 3.41 -1.26 -4.58 113.62 104.07 3gkf n SER 119 Ca -0.00 -0.82 -0.43 0.00 -0.26 0.00 0.00 58.87 57.36 3gkf n SER 119 Cb 0.42 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3gkf n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkf n ASN 120 N -1.05 4.57 -4.59 4.04 5.15 -1.13 -4.57 115.26 117.68 3gkf n ASN 120 Ca 0.22 -2.90 -0.28 0.00 -0.60 0.00 0.00 54.58 51.02 3gkf n ASN 120 Cb 0.13 -1.71 -0.09 0.00 -0.53 0.00 0.00 39.78 37.58 3gkf n ASN 120 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3gkf s GLU 121 N 3.71 2.15 0.27 1.20 2.02 -1.26 -3.50 118.70 123.29 3gkf s GLU 121 Ca 0.51 -1.11 0.04 0.00 0.02 0.00 0.00 54.97 54.43 3gkf s GLU 121 Cb 0.07 -2.27 -0.06 0.00 0.10 0.00 0.00 34.13 31.98 3gkf s GLU 121 CO 0.02 0.48 0.00 0.00 0.02 0.00 0.00 175.26 175.77 3gkf s ALA 122 N -1.45 2.11 0.19 5.21 0.00 0.13 -4.74 121.76 123.22 3gkf s ALA 122 Ca 0.23 -1.89 -0.31 0.00 0.00 0.00 0.00 51.96 50.00 3gkf s ALA 122 Cb -0.10 0.47 -0.10 0.00 0.00 0.00 0.00 23.12 23.39 3gkf s ALA 122 CO 0.15 -0.22 1.47 0.08 0.00 0.00 0.00 175.76 177.24 3gkf s VAL 123 N -3.28 2.80 -1.86 0.00 1.01 -1.26 -1.54 120.40 116.27 3gkf s VAL 123 Ca 0.31 0.61 0.16 0.00 0.00 0.00 0.00 61.98 63.06 3gkf s VAL 123 Cb 0.06 -3.39 0.10 0.00 0.00 0.00 0.00 36.38 33.15 3gkf s VAL 123 CO 0.12 0.07 0.96 0.00 0.00 0.00 0.00 175.10 176.25 3gkf n ALA 124 N 3.24 2.61 -3.47 5.51 0.00 0.34 -4.83 120.51 123.90 3gkf n ALA 124 Ca 0.10 -0.60 -0.14 0.00 0.00 0.00 0.00 53.44 52.80 3gkf n ALA 124 Cb 0.40 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.28 3gkf n ALA 124 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3gkf s LEU 125 N -1.46 -0.57 0.39 0.00 0.05 -1.25 -4.92 118.68 110.91 3gkf s LEU 125 Ca 0.17 0.27 -0.20 0.00 0.05 0.00 0.00 54.13 54.42 3gkf s LEU 125 Cb 0.13 2.49 -0.10 0.00 -2.05 0.00 0.00 46.19 46.66 3gkf s LEU 125 CO 0.24 -0.78 0.90 -0.94 -0.55 0.00 0.00 176.35 175.21 3gkf s SER 126 N -2.10 6.95 0.56 1.48 1.04 -1.26 -4.90 113.70 115.46 3gkf s SER 126 Ca -0.03 1.61 0.25 0.00 0.48 0.00 0.00 55.95 58.26 3gkf s SER 126 Cb -0.01 -2.51 1.51 0.00 0.10 0.00 0.00 66.02 65.11 3gkf s SER 126 CO -0.04 -0.29 2.10 -0.03 0.98 0.00 0.00 173.24 175.97 3gkf h MET 127 N 2.15 0.00 -0.24 4.02 4.05 -1.97 -0.54 114.93 122.41 3gkf h MET 127 Ca -0.49 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 58.99 3gkf h MET 127 Cb 1.18 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.93 3gkf h MET 127 CO 0.62 0.00 -0.09 0.22 0.23 0.00 0.00 176.91 177.89 3gkf h ASP 128 N 0.00 -0.32 0.49 1.39 3.58 -1.97 0.41 116.42 120.00 3gkf h ASP 128 Ca 0.10 0.09 -0.20 0.00 0.42 0.00 0.00 57.03 57.43 3gkf h ASP 128 Cb 0.45 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 3gkf h ASP 128 CO -0.00 -0.12 -0.86 -0.78 -2.88 0.00 0.00 179.24 174.60 3gkf h ASP 129 N -0.05 0.33 -0.74 2.28 3.58 -1.52 -0.85 116.42 119.44 3gkf h ASP 129 Ca 0.12 -0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 3gkf h ASP 129 Cb 0.24 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 3gkf h ASP 129 CO -0.28 1.04 0.42 0.00 -2.88 0.00 0.00 179.24 177.54 3gkf h ALA 130 N 0.94 1.31 -0.23 -0.78 0.00 -0.42 0.85 119.26 120.92 3gkf h ALA 130 Ca -0.05 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3gkf h ALA 130 Cb 1.48 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3gkf h ALA 130 CO 0.14 0.56 -0.46 0.28 0.00 0.00 0.00 179.25 179.77 3gkf h VAL 131 N 1.05 1.31 0.00 0.00 2.07 -0.08 -2.24 116.25 118.36 3gkf h VAL 131 Ca 0.27 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.10 3gkf h VAL 131 Cb 0.02 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3gkf h VAL 131 CO -0.04 0.52 -0.13 -0.09 0.02 0.00 0.00 177.57 177.85 3gkf h ARG 132 N 0.48 0.00 -0.52 1.57 2.43 -0.01 -1.79 114.38 116.54 3gkf h ARG 132 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3gkf h ARG 132 Cb 0.99 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3gkf h ARG 132 CO 0.09 0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.96 3gkf n LEU 133 N -4.11 2.87 -3.58 3.80 4.77 0.18 -4.95 117.00 115.98 3gkf n LEU 133 Ca -0.02 -1.42 -0.20 0.00 -0.03 0.00 0.00 56.01 54.34 3gkf n LEU 133 Cb 0.21 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 3gkf n LEU 133 CO 0.33 0.71 0.03 -3.20 -1.33 0.00 0.00 177.39 173.94 3gkf n ASN 134 N 1.07 -1.93 -4.86 -1.43 5.15 -0.67 -4.96 115.26 107.63 3gkf n ASN 134 Ca 0.18 -0.72 -0.31 0.00 -0.60 0.00 0.00 54.58 53.13 3gkf n ASN 134 Cb 0.46 -4.58 0.01 0.00 -0.53 0.00 0.00 39.78 35.14 3gkf n ASN 134 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gkf s SER 135 N -4.27 6.16 0.01 1.20 0.01 -0.88 -4.74 113.70 111.18 3gkf s SER 135 Ca 0.05 1.46 0.19 0.00 1.31 0.00 0.00 55.95 58.96 3gkf s SER 135 Cb -0.03 -2.48 -0.19 0.00 0.21 0.00 0.00 66.02 63.54 3gkf s SER 135 CO 0.77 -0.92 0.62 0.00 0.41 0.00 0.00 173.24 174.13 3gkf s ALA 137 N -3.04 -1.44 0.03 0.00 0.00 -1.20 -4.05 121.76 112.05 3gkf s ALA 137 Ca -0.05 0.09 0.08 0.00 0.00 0.00 0.00 51.96 52.08 3gkf s ALA 137 Cb 0.10 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.98 3gkf s ALA 137 CO 0.84 -0.94 -0.24 0.14 0.00 0.00 0.00 175.76 175.56 3gkf s VAL 138 N -3.70 1.91 0.04 0.00 -7.23 -0.63 -1.31 120.40 109.47 3gkf s VAL 138 Ca 0.08 -1.25 0.07 0.00 -1.81 0.00 0.00 61.98 59.07 3gkf s VAL 138 Cb -0.03 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 3gkf s VAL 138 CO -0.00 0.33 -0.21 0.00 -0.31 0.00 0.00 175.10 174.90 3gkf s ALA 139 N -0.76 1.76 0.13 1.32 0.00 0.66 -0.08 121.76 124.78 3gkf s ALA 139 Ca 0.10 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3gkf s ALA 139 Cb -0.09 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 3gkf s ALA 139 CO 0.01 0.40 0.16 0.00 0.00 0.00 0.00 175.76 176.33 3gkf s ALA 140 N -0.77 0.29 -0.06 0.00 0.00 -0.51 0.13 121.76 120.82 3gkf s ALA 140 Ca 0.07 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.93 3gkf s ALA 140 Cb -0.09 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3gkf s ALA 140 CO 0.02 -0.54 0.14 -0.65 0.00 0.00 0.00 175.76 174.72 3gkf s GLN 141 N -3.97 3.37 0.01 0.00 -1.52 -1.26 -0.42 119.66 115.88 3gkf s GLN 141 Ca 0.16 -0.26 0.08 0.00 -1.95 0.00 0.00 55.36 53.39 3gkf s GLN 141 Cb 0.05 -3.10 -0.03 0.00 -0.22 0.00 0.00 33.01 29.72 3gkf s GLN 141 CO -0.02 0.72 -0.23 0.54 -0.25 0.00 0.00 175.29 176.05 3gkf s VAL 142 N -1.15 2.36 -0.55 1.09 0.11 0.17 -4.77 120.40 117.66 3gkf s VAL 142 Ca 0.20 -1.15 0.07 0.00 -2.93 0.00 0.00 61.98 58.17 3gkf s VAL 142 Cb -0.12 -1.90 0.28 0.00 -1.53 0.00 0.00 36.38 33.11 3gkf s VAL 142 CO 0.11 0.47 0.74 -1.22 -3.33 0.00 0.00 175.10 171.87 3gkf n TYR 143 N 2.06 2.52 -1.70 1.54 4.01 -1.26 -0.64 117.16 123.69 3gkf n TYR 143 Ca -0.16 -3.96 -0.43 0.00 -0.16 0.00 0.00 57.90 53.19 3gkf n TYR 143 Cb 0.52 -0.49 -0.01 0.00 -0.31 0.00 0.00 39.34 39.05 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 0.70 1.79 0.00 -0.72 2.08 -1.26 -1.68 119.36 120.26 3gkf n ILE 144 Ca 0.28 -0.45 0.00 0.00 0.56 0.00 0.00 62.75 63.14 3gkf n ILE 144 Cb 0.46 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.78 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 1.06 2.70 3.96 7.39 0.00 -1.26 -4.94 105.19 114.10 3gkf n GLY 145 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -2.08 4.23 0.32 1.61 0.01 -0.68 -4.97 113.70 112.14 3gkf s SER 146 Ca 0.00 0.02 0.04 0.00 1.31 0.00 0.00 55.95 57.32 3gkf s SER 146 Cb 0.00 -0.42 0.55 0.00 0.21 0.00 0.00 66.02 66.36 3gkf s SER 146 CO 0.00 -1.96 1.84 -0.08 0.41 0.00 0.00 173.24 173.45 3gkf h GLU 147 N -0.78 0.54 -0.73 12.44 4.81 -1.94 -2.93 114.58 125.99 3gkf h GLU 147 Ca -0.41 -0.13 -0.48 0.00 -0.13 0.00 0.00 59.36 58.21 3gkf h GLU 147 Cb 1.27 -0.07 -0.28 0.00 0.63 0.00 0.00 28.75 30.30 3gkf h GLU 147 CO 0.46 0.60 0.03 0.66 -0.73 0.00 0.00 179.01 180.02 3gkf n TYR 148 N -4.25 2.43 -0.02 0.92 4.01 -1.26 -4.68 117.16 114.31 3gkf n TYR 148 Ca 0.01 -2.26 0.03 0.00 -0.16 0.00 0.00 57.90 55.52 3gkf n TYR 148 Cb 0.28 -0.77 0.38 0.00 -0.31 0.00 0.00 39.34 38.91 3gkf n TYR 148 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3gkf h GLU 149 N 1.68 0.57 0.18 -0.72 4.81 -1.65 -1.97 114.58 117.48 3gkf h GLU 149 Ca 0.42 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 3gkf h GLU 149 Cb 1.46 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.72 3gkf h GLU 149 CO 0.93 0.43 -0.09 1.25 -0.73 0.00 0.00 179.01 180.81 3gkf h HIS 150 N 0.58 -0.22 -0.87 0.92 2.76 -1.87 -2.40 115.15 114.05 3gkf h HIS 150 Ca 0.15 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.37 3gkf h HIS 150 Cb 0.03 0.07 -0.05 0.00 1.55 0.00 0.00 27.41 29.01 3gkf h HIS 150 CO 0.00 0.07 0.57 0.37 -1.30 0.00 0.00 177.93 177.64 3gkf h GLN 151 N -0.52 0.97 -0.80 5.26 5.75 -1.91 -1.26 115.11 122.60 3gkf h GLN 151 Ca -0.02 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.42 3gkf h GLN 151 Cb 0.40 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.69 3gkf h GLN 151 CO 0.04 0.64 0.53 0.66 -2.65 0.00 0.00 178.83 178.05 3gkf h SER 152 N 1.00 0.93 -0.14 -0.69 4.64 -1.06 0.70 113.55 118.94 3gkf h SER 152 Ca 0.37 -0.03 -0.14 0.00 -0.47 0.00 0.00 61.79 61.52 3gkf h SER 152 Cb 0.16 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3gkf h SER 152 CO -0.13 0.68 -0.45 0.40 -0.87 0.00 0.00 176.83 176.46 3gkf h ILE 153 N 1.09 1.35 -0.94 0.95 2.04 -0.90 -2.25 117.51 118.86 3gkf h ILE 153 Ca 0.29 -1.73 0.19 0.00 1.00 0.00 0.00 64.86 64.61 3gkf h ILE 153 Cb -0.11 2.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.94 3gkf h ILE 153 CO -0.06 0.53 0.60 0.11 0.00 0.00 0.00 178.15 179.33 3gkf h LYS 154 N 0.19 0.53 -0.29 2.37 1.57 -0.82 0.13 116.57 120.25 3gkf h LYS 154 Ca -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3gkf h LYS 154 Cb 1.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3gkf h LYS 154 CO 0.10 0.35 0.17 -0.91 -0.57 0.00 0.00 179.45 178.59 3gkf h ASN 155 N 0.55 0.35 -0.29 0.86 2.35 -0.29 0.42 115.58 119.53 3gkf h ASN 155 Ca 0.50 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 3gkf h ASN 155 Cb 1.05 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 3gkf h ASN 155 CO -0.24 0.31 0.19 0.40 -1.65 0.00 0.00 177.43 176.44 3gkf h ILE 156 N 0.36 1.08 -0.22 2.81 1.08 -0.47 -1.62 117.51 120.51 3gkf h ILE 156 Ca 0.10 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.48 3gkf h ILE 156 Cb 0.03 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.38 3gkf h ILE 156 CO -0.02 0.07 -0.09 0.40 -0.69 0.00 0.00 178.15 177.82 3gkf h ILE 157 N 0.39 0.69 -0.34 -0.67 2.04 -0.51 0.47 117.51 119.58 3gkf h ILE 157 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 3gkf h ILE 157 Cb -0.04 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3gkf h ILE 157 CO -0.02 0.00 -0.01 -0.61 0.00 0.00 0.00 178.15 177.51 3gkf h GLN 158 N -0.06 0.52 -0.27 2.37 4.15 -0.63 0.27 115.11 121.47 3gkf h GLN 158 Ca 0.12 -0.11 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 3gkf h GLN 158 Cb 0.24 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 3gkf h GLN 158 CO -0.26 0.56 -0.37 -0.07 -1.93 0.00 0.00 178.83 176.76 3gkf h LEU 159 N 0.50 0.64 -0.37 -2.39 3.38 -0.22 -2.60 115.31 114.25 3gkf h LEU 159 Ca 0.11 -0.27 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 3gkf h LEU 159 Cb 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3gkf h LEU 159 CO 0.01 0.94 -0.39 0.58 0.09 0.00 0.00 178.44 179.67 3gkf h VAL 160 N 0.51 1.27 -0.96 1.22 2.07 0.17 0.21 116.25 120.74 3gkf h VAL 160 Ca 0.05 -1.57 0.07 0.00 0.82 0.00 0.00 66.70 66.07 3gkf h VAL 160 Cb 0.87 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 3gkf h VAL 160 CO 0.07 0.52 0.62 0.44 0.02 0.00 0.00 177.57 179.25 3gkf h ASP 161 N 0.72 0.98 0.50 0.57 3.32 -0.90 -0.29 116.42 121.33 3gkf h ASP 161 Ca 0.05 0.01 -0.30 0.00 0.02 0.00 0.00 57.03 56.82 3gkf h ASP 161 Cb 0.99 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.35 3gkf h ASP 161 CO 0.10 0.63 -1.37 0.00 -1.72 0.00 0.00 179.24 176.87 3gkf h ALA 162 N 1.48 0.06 -0.24 3.45 0.00 -1.21 -3.27 119.26 119.53 3gkf h ALA 162 Ca 0.42 -0.93 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3gkf h ALA 162 Cb 0.19 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gkf h ALA 162 CO -0.16 0.94 -0.24 0.78 0.00 0.00 0.00 179.25 180.56 3gkf h GLY 163 N 1.23 0.48 1.95 0.00 0.00 -0.09 -2.63 103.07 104.00 3gkf h GLY 163 Ca -0.19 -0.38 -0.10 0.00 0.00 0.00 0.00 47.33 46.65 3gkf h GLY 163 CO 0.21 0.35 -0.47 -0.33 0.00 0.00 0.00 176.54 176.31 3gkf h MET 164 N 0.40 0.06 0.00 4.80 2.07 -1.11 0.72 114.93 121.87 3gkf h MET 164 Ca 0.06 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 3gkf h MET 164 Cb 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.37 3gkf h MET 164 CO 0.05 0.52 0.00 0.87 1.07 0.00 0.00 176.91 179.41 3gkf h LYS 165 N 0.05 0.00 0.00 1.72 1.57 -1.53 -3.33 116.57 115.05 3gkf h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gkf h LYS 165 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 3gkf h LYS 165 CO 0.06 0.00 0.00 1.55 -0.57 0.00 0.00 179.45 180.49 3gkf n VAL 166 N -3.04 0.00 -0.47 0.50 3.14 -0.19 -5.01 118.33 113.26 3gkf n VAL 166 Ca -0.00 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 3gkf n VAL 166 Cb 0.25 1.28 0.00 0.00 -1.06 0.00 0.00 33.84 34.32 3gkf n VAL 166 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3gkf n GLY 167 N 0.21 0.71 3.55 7.55 0.00 0.23 -4.96 105.19 112.49 3gkf n GLY 167 Ca 0.00 -0.49 -0.40 0.00 0.00 0.00 0.00 46.02 45.13 3gkf n GLY 167 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gkf s MET 168 N -0.92 3.65 0.63 1.61 0.00 -0.07 -3.90 119.30 120.31 3gkf s MET 168 Ca 0.00 -0.46 -0.16 0.00 0.00 0.00 0.00 55.69 55.07 3gkf s MET 168 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 34.83 31.05 3gkf s MET 168 CO 0.00 -0.40 1.14 -2.14 0.00 0.00 0.00 175.02 173.62 3gkf s PRO 169 N 1.84 2.86 -0.05 4.11 0.02 -1.26 -4.43 135.00 138.09 3gkf s PRO 169 Ca 0.09 1.54 0.06 0.00 0.02 0.00 0.00 61.00 62.71 3gkf s PRO 169 Cb -0.17 -1.94 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 3gkf s PRO 169 CO 0.11 -1.23 -0.25 0.99 -0.33 0.00 0.00 177.00 176.29 3gkf s THR 170 N -2.08 2.10 -0.19 0.99 2.01 -1.26 -1.60 115.64 115.60 3gkf s THR 170 Ca 0.70 -1.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.60 3gkf s THR 170 Cb -0.23 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 3gkf s THR 170 CO 0.38 0.57 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.55 3gkf s MET 171 N -0.29 3.61 -0.24 4.92 1.75 0.88 -0.81 119.30 129.12 3gkf s MET 171 Ca 0.00 -0.53 -0.10 0.00 -1.25 0.00 0.00 55.69 53.81 3gkf s MET 171 Cb -0.13 -3.04 -0.05 0.00 2.84 0.00 0.00 34.83 34.46 3gkf s MET 171 CO 0.02 0.05 0.15 0.00 -0.65 0.00 0.00 175.02 174.59 3gkf s ALA 172 N 0.90 3.59 -0.18 4.11 0.00 0.14 -1.43 121.76 128.90 3gkf s ALA 172 Ca 0.01 -0.88 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3gkf s ALA 172 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3gkf s ALA 172 CO 0.02 -0.18 0.05 0.08 0.00 0.00 0.00 175.76 175.73 3gkf s VAL 173 N 1.03 4.68 -0.47 0.00 1.01 0.44 -0.83 120.40 126.25 3gkf s VAL 173 Ca 0.07 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.74 3gkf s VAL 173 Cb -0.13 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.18 3gkf s VAL 173 CO 0.04 0.47 0.82 0.42 0.00 0.00 0.00 175.10 176.86 3gkf s THR 174 N 0.31 4.59 0.13 3.92 -4.23 -0.88 0.46 115.64 119.93 3gkf s THR 174 Ca 0.03 0.39 -0.04 0.00 -1.18 0.00 0.00 61.69 60.88 3gkf s THR 174 Cb -0.12 -4.38 -0.05 0.00 1.34 0.00 0.00 72.50 69.29 3gkf s THR 174 CO 0.00 -0.81 0.34 -0.83 -0.54 0.00 0.00 174.62 172.79 3gkf s GLY 175 N 2.32 2.23 0.00 3.99 0.00 0.18 -4.82 107.32 111.21 3gkf s GLY 175 Ca 0.30 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.41 3gkf s GLY 175 CO 0.22 -0.54 0.00 -0.62 0.00 0.00 0.00 173.10 172.16 3gkf n VAL 176 N 0.14 0.00 -2.21 1.40 0.31 -1.26 -4.43 118.33 112.27 3gkf n VAL 176 Ca -0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.26 3gkf n VAL 176 Cb 0.52 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.45 3gkf n VAL 176 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gkf n ARG 182 N 0.00 0.46 -4.18 5.55 0.63 -1.26 -5.07 116.66 112.80 3gkf n ARG 182 Ca 0.00 -0.90 -0.27 0.00 -0.92 0.00 0.00 57.85 55.76 3gkf n ARG 182 Cb 0.00 0.44 -0.05 0.00 0.45 0.00 0.00 32.46 33.31 3gkf n ARG 182 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3gkf s ASP 183 N -0.87 4.44 0.13 6.15 -4.77 -1.26 -4.97 116.67 115.53 3gkf s ASP 183 Ca 0.03 -1.28 -0.24 0.00 -3.30 0.00 0.00 52.55 47.76 3gkf s ASP 183 Cb 0.15 0.12 -0.02 0.00 -1.09 0.00 0.00 42.92 42.07 3gkf s ASP 183 CO -0.04 -0.84 1.64 -0.61 0.70 0.00 0.00 175.17 176.02 3gkf h GLN 184 N 1.13 -0.29 -0.99 2.11 -0.00 -1.92 -1.10 115.11 114.04 3gkf h GLN 184 Ca -0.41 0.02 0.20 0.00 -0.00 0.00 0.00 58.65 58.47 3gkf h GLN 184 Cb 1.29 0.07 -0.10 0.00 0.00 0.00 0.00 27.48 28.73 3gkf h GLN 184 CO 0.66 -0.20 0.62 0.07 0.00 0.00 0.00 178.83 179.98 3gkf h ARG 185 N -0.31 0.64 0.30 1.69 0.11 -1.94 0.71 114.38 115.59 3gkf h ARG 185 Ca 0.09 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3gkf h ARG 185 Cb 0.44 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.38 3gkf h ARG 185 CO -0.28 0.43 -0.15 -0.92 0.10 0.00 0.00 179.97 179.15 3gkf h TYR 186 N 0.66 -0.38 0.00 4.08 3.20 -1.62 -2.45 116.97 120.46 3gkf h TYR 186 Ca 0.57 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.42 3gkf h TYR 186 Cb 1.02 0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 3gkf h TYR 186 CO -0.00 -0.05 -0.06 0.74 -1.64 0.00 0.00 178.16 177.14 3gkf h PHE 187 N -0.73 0.00 0.19 -3.82 0.04 -0.65 -1.32 116.94 110.66 3gkf h PHE 187 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3gkf h PHE 187 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 3gkf h PHE 187 CO 0.02 0.06 -0.09 0.77 -0.60 0.00 0.00 178.31 178.47 3gkf h SER 188 N 0.00 -0.22 -0.14 2.17 0.02 -0.79 0.29 113.55 114.88 3gkf h SER 188 Ca -0.00 -0.03 0.04 0.00 -0.84 0.00 0.00 61.79 60.96 3gkf h SER 188 Cb 0.12 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 3gkf h SER 188 CO 0.01 -0.11 -0.17 0.25 -1.14 0.00 0.00 176.83 175.67 3gkf h LEU 189 N -0.31 -0.52 -0.15 5.07 5.85 -0.83 -1.09 115.31 123.31 3gkf h LEU 189 Ca -0.03 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3gkf h LEU 189 Cb 0.24 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3gkf h LEU 189 CO 0.04 -0.21 0.03 0.00 -0.34 0.00 0.00 178.44 177.96 3gkf h ALA 190 N 0.84 0.20 -0.44 1.25 0.00 -1.04 -1.31 119.26 118.77 3gkf h ALA 190 Ca 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3gkf h ALA 190 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3gkf h ALA 190 CO -0.26 -0.15 0.19 1.79 0.00 0.00 0.00 179.25 180.83 3gkf h THR 191 N 0.05 1.19 -0.27 0.00 1.35 -0.32 -2.44 112.91 112.47 3gkf h THR 191 Ca 0.05 -0.57 -0.03 0.00 -0.55 0.00 0.00 66.41 65.31 3gkf h THR 191 Cb 0.28 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 3gkf h THR 191 CO 0.00 0.21 0.06 -0.09 -0.25 0.00 0.00 175.52 175.45 3gkf h ARG 192 N 0.57 0.43 -0.47 4.72 9.65 -1.10 0.24 114.38 128.42 3gkf h ARG 192 Ca 0.15 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 3gkf h ARG 192 Cb 0.15 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 3gkf h ARG 192 CO -0.02 0.53 0.25 0.82 2.80 0.00 0.00 179.97 184.35 3gkf h ILE 193 N 0.26 0.99 -0.37 1.20 2.04 -1.23 0.15 117.51 120.56 3gkf h ILE 193 Ca 0.08 -0.17 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 3gkf h ILE 193 Cb 0.29 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3gkf h ILE 193 CO 0.00 0.09 0.23 0.00 0.00 0.00 0.00 178.15 178.47 3gkf h ALA 194 N 1.24 0.47 -0.77 1.87 0.00 -1.00 0.44 119.26 121.51 3gkf h ALA 194 Ca 0.20 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3gkf h ALA 194 Cb 0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3gkf h ALA 194 CO -0.12 -0.04 0.28 0.00 0.00 0.00 0.00 179.25 179.36 3gkf h ALA 195 N 1.10 1.00 -0.60 0.00 0.00 -0.61 -2.29 119.26 117.86 3gkf h ALA 195 Ca 0.13 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3gkf h ALA 195 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3gkf h ALA 195 CO -0.03 0.65 -0.02 1.49 0.00 0.00 0.00 179.25 181.35 3gkf h GLU 196 N 1.13 1.08 -0.20 0.00 4.57 -0.35 -2.03 114.58 118.78 3gkf h GLU 196 Ca 0.25 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3gkf h GLU 196 Cb 0.26 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3gkf h GLU 196 CO -0.02 1.06 0.12 0.52 -1.18 0.00 0.00 179.01 179.52 3gkf h MET 197 N 0.98 0.26 0.00 1.92 2.86 -0.37 -3.45 114.93 117.12 3gkf h MET 197 Ca 0.17 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3gkf h MET 197 Cb 0.58 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3gkf h MET 197 CO 0.03 0.18 0.00 0.41 1.06 0.00 0.00 176.91 178.59 3gkf n GLY 198 N -1.50 -0.90 3.74 8.32 0.00 -0.76 -4.92 105.19 109.16 3gkf n GLY 198 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gkf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 199 N 0.00 3.56 -0.02 4.61 0.00 -1.01 -4.84 121.76 124.07 3gkf s ALA 199 Ca 0.00 1.18 0.12 0.00 0.00 0.00 0.00 51.96 53.26 3gkf s ALA 199 Cb 0.00 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.48 3gkf s ALA 199 CO 0.00 -0.61 1.14 1.96 0.00 0.00 0.00 175.76 178.25 3gkf h GLN 200 N 5.37 0.00 -5.93 0.00 7.50 -1.31 -3.42 115.11 117.32 3gkf h GLN 200 Ca -0.45 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.05 3gkf h GLN 200 Cb 1.21 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.44 3gkf h GLN 200 CO 0.78 0.67 -0.87 0.42 -1.50 0.00 0.00 178.83 178.33 3gkf s ILE 201 N -2.79 1.85 -0.13 2.54 1.01 -0.76 -3.80 121.20 119.12 3gkf s ILE 201 Ca 0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3gkf s ILE 201 Cb 0.09 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3gkf s ILE 201 CO 0.80 0.52 -0.11 -0.63 0.00 0.00 0.00 174.94 175.52 3gkf s ILE 202 N -0.22 3.28 -0.12 2.92 -1.09 -0.50 -0.68 121.20 124.78 3gkf s ILE 202 Ca -0.00 -0.58 -0.00 0.00 -2.23 0.00 0.00 60.65 57.83 3gkf s ILE 202 Cb -0.12 -2.39 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 3gkf s ILE 202 CO 0.02 0.52 -0.11 -0.75 -1.23 0.00 0.00 174.94 173.39 3gkf s LYS 203 N 0.26 3.34 0.19 2.79 2.20 -0.01 -0.58 119.74 127.91 3gkf s LYS 203 Ca -0.07 -0.65 -0.04 0.00 -0.36 0.00 0.00 55.97 54.85 3gkf s LYS 203 Cb -0.15 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.52 3gkf s LYS 203 CO 0.05 0.28 0.31 -2.37 -0.36 0.00 0.00 175.35 173.26 3gkf n THR 204 N 3.35 0.00 -3.89 3.43 5.66 0.14 -2.08 114.28 120.88 3gkf n THR 204 Ca -0.18 -0.74 -0.28 0.00 -3.05 0.00 0.00 64.05 59.81 3gkf n THR 204 Cb 0.53 0.53 -0.03 0.00 -1.55 0.00 0.00 70.33 69.81 3gkf n THR 204 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3gkf s TYR 205 N -4.63 3.49 0.45 1.09 2.02 -1.26 0.28 117.35 118.79 3gkf s TYR 205 Ca 0.12 0.20 -0.21 0.00 -0.37 0.00 0.00 57.07 56.81 3gkf s TYR 205 Cb -0.01 -1.73 -0.10 0.00 -0.40 0.00 0.00 41.96 39.72 3gkf s TYR 205 CO 0.09 0.51 0.99 -0.47 -1.57 0.00 0.00 175.55 175.10 3gkf s TYR 206 N -1.70 3.19 -0.04 2.71 5.04 -1.26 -4.93 117.35 120.36 3gkf s TYR 206 Ca 0.35 1.60 0.01 0.00 -2.44 0.00 0.00 57.07 56.60 3gkf s TYR 206 Cb -0.12 -2.95 0.02 0.00 0.35 0.00 0.00 41.96 39.27 3gkf s TYR 206 CO 0.28 -0.41 -0.06 0.08 -1.34 0.00 0.00 175.55 174.11 3gkf s VAL 207 N -2.07 0.63 0.39 3.14 1.01 -1.26 -5.03 120.40 117.22 3gkf s VAL 207 Ca 0.64 -0.19 0.16 0.00 0.00 0.00 0.00 61.98 62.58 3gkf s VAL 207 Cb -0.13 -0.63 0.15 0.00 0.00 0.00 0.00 36.38 35.78 3gkf s VAL 207 CO 0.17 0.24 1.91 -0.33 0.00 0.00 0.00 175.10 177.09 3gkf h GLU 208 N 7.05 0.00 -5.01 2.72 5.08 -1.97 -3.34 114.58 119.12 3gkf h GLU 208 Ca -0.37 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.34 3gkf h GLU 208 Cb 1.16 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.06 3gkf h GLU 208 CO 0.48 0.27 -0.86 0.21 -1.00 0.00 0.00 179.01 178.12 3gkf s LYS 209 N -4.31 2.84 0.00 2.33 2.20 -1.26 -4.81 119.74 116.74 3gkf s LYS 209 Ca -0.03 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 3gkf s LYS 209 Cb 0.14 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 34.03 3gkf s LYS 209 CO 0.69 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 3gkf n GLY 210 N 4.53 0.75 0.37 5.54 0.00 -1.26 -4.40 105.19 110.71 3gkf n GLY 210 Ca -0.20 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 45.78 3gkf n GLY 210 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gkf h PHE 211 N 0.00 0.28 -0.99 1.61 3.57 -1.88 -1.16 116.94 118.38 3gkf h PHE 211 Ca 0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3gkf h PHE 211 Cb 0.00 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 3gkf h PHE 211 CO 0.00 0.12 0.65 0.93 -2.23 0.00 0.00 178.31 177.78 3gkf h GLU 212 N 0.26 1.24 -0.38 1.11 5.08 -1.92 -0.70 114.58 119.27 3gkf h GLU 212 Ca 0.28 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3gkf h GLU 212 Cb 0.76 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 3gkf h GLU 212 CO -0.06 0.82 -0.11 0.00 -1.00 0.00 0.00 179.01 178.66 3gkf h ARG 213 N 1.28 0.67 0.34 2.33 3.08 -1.59 0.23 114.38 120.71 3gkf h ARG 213 Ca 0.39 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 3gkf h ARG 213 Cb -0.04 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3gkf h ARG 213 CO -0.11 0.77 -0.16 0.82 -1.07 0.00 0.00 179.97 180.21 3gkf h ILE 214 N 0.62 0.68 -0.23 2.04 2.04 -1.08 0.65 117.51 122.22 3gkf h ILE 214 Ca 0.11 -0.30 0.03 0.00 1.00 0.00 0.00 64.86 65.69 3gkf h ILE 214 Cb 0.55 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3gkf h ILE 214 CO 0.03 0.06 0.07 0.58 0.00 0.00 0.00 178.15 178.90 3gkf h VAL 215 N -0.62 0.93 -0.54 1.67 2.07 -1.04 -2.37 116.25 116.35 3gkf h VAL 215 Ca -0.05 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gkf h VAL 215 Cb 0.45 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3gkf h VAL 215 CO 0.08 0.03 0.28 0.00 0.02 0.00 0.00 177.57 177.98 3gkf h ALA 216 N 1.15 1.47 0.00 1.67 0.00 -0.41 -1.83 119.26 121.32 3gkf h ALA 216 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3gkf h ALA 216 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3gkf h ALA 216 CO -0.11 0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.97 3gkf n GLY 217 N -1.24 -1.57 3.69 0.00 0.00 0.21 -4.74 105.19 101.54 3gkf n GLY 217 Ca 0.05 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3gkf n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n PRO 219 N 4.05 1.53 -4.31 0.00 -0.04 -1.26 -4.88 135.00 130.08 3gkf n PRO 219 Ca -0.12 -0.78 -0.16 0.00 -0.04 0.00 0.00 63.50 62.40 3gkf n PRO 219 Cb 0.52 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3gkf n PRO 219 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gkf s VAL 220 N -1.96 0.75 0.45 0.52 -7.23 -1.26 -3.55 120.40 108.12 3gkf s VAL 220 Ca 0.38 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.30 3gkf s VAL 220 Cb 0.20 -2.46 -0.08 0.00 0.56 0.00 0.00 36.38 34.59 3gkf s VAL 220 CO 0.32 -0.19 1.36 -2.65 -0.31 0.00 0.00 175.10 173.63 3gkf n PRO 221 N -0.42 2.07 -4.89 4.82 -0.02 -1.24 -4.77 135.00 130.55 3gkf n PRO 221 Ca -0.03 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3gkf n PRO 221 Cb 0.65 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 3gkf n PRO 221 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gkf s ILE 222 N -1.21 2.95 0.01 4.25 1.01 -1.26 -1.41 121.20 125.54 3gkf s ILE 222 Ca 0.62 -0.74 0.07 0.00 0.00 0.00 0.00 60.65 60.61 3gkf s ILE 222 Cb -0.47 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.81 3gkf s ILE 222 CO 0.57 0.57 -0.23 -0.69 0.00 0.00 0.00 174.94 175.16 3gkf s VAL 223 N -0.31 1.81 -0.08 2.92 1.01 0.25 0.44 120.40 126.45 3gkf s VAL 223 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.91 3gkf s VAL 223 Cb -0.13 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 3gkf s VAL 223 CO 0.03 0.40 -0.05 0.27 0.00 0.00 0.00 175.10 175.75 3gkf s ILE 224 N -0.64 3.85 0.31 2.22 -4.36 -0.91 0.24 121.20 121.91 3gkf s ILE 224 Ca 0.09 -0.42 -0.14 0.00 -0.26 0.00 0.00 60.65 59.92 3gkf s ILE 224 Cb -0.09 -2.59 -0.08 0.00 1.25 0.00 0.00 42.46 40.95 3gkf s ILE 224 CO 0.00 0.60 0.70 0.00 0.24 0.00 0.00 174.94 176.48 3gkf s ALA 225 N -0.77 3.37 0.12 2.27 0.00 0.14 0.77 121.76 127.66 3gkf s ALA 225 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.96 3gkf s ALA 225 Cb -0.11 -2.69 -0.10 0.00 0.00 0.00 0.00 23.12 20.22 3gkf s ALA 225 CO 0.02 0.36 1.32 0.78 0.00 0.00 0.00 175.76 178.23 3gkf h GLY 226 N 2.27 0.64 0.00 0.00 0.00 -0.90 -3.40 103.07 101.69 3gkf h GLY 226 Ca -0.48 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 45.86 3gkf h GLY 226 CO 0.66 0.88 0.00 0.61 0.00 0.00 0.00 176.54 178.70 3gkf n GLY 227 N 0.79 -1.23 3.73 4.60 0.00 -1.26 -4.90 105.19 106.92 3gkf n GLY 227 Ca -0.07 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 3gkf n GLY 227 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkf s LYS 228 N 0.00 2.33 0.28 1.61 -2.85 -1.26 -4.46 119.74 115.39 3gkf s LYS 228 Ca 0.00 1.87 -0.30 0.00 -1.00 0.00 0.00 55.97 56.54 3gkf s LYS 228 Cb 0.00 -1.84 -0.12 0.00 -2.06 0.00 0.00 37.83 33.81 3gkf s LYS 228 CO 0.00 -1.72 1.53 1.17 0.10 0.00 0.00 175.35 176.43 3gkf n LYS 229 N -2.36 2.47 -4.39 1.78 3.00 -1.26 -4.83 118.16 112.56 3gkf n LYS 229 Ca 0.14 0.88 -0.20 0.00 -0.00 0.00 0.00 58.31 59.13 3gkf n LYS 229 Cb 0.49 -2.61 -0.10 0.00 0.00 0.00 0.00 35.03 32.81 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -0.33 2.46 0.35 3.14 1.43 -1.26 -5.04 118.68 119.42 3gkf s LEU 230 Ca 0.65 -1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 52.31 3gkf s LEU 230 Cb -0.55 -0.59 -0.12 0.00 0.03 0.00 0.00 46.19 44.97 3gkf s LEU 230 CO 0.50 -0.33 1.43 -0.81 0.23 0.00 0.00 176.35 177.36 3gkf n PRO 231 N -0.51 2.46 -0.18 1.29 -0.04 -1.26 -4.75 135.00 132.01 3gkf n PRO 231 Ca -0.06 0.86 -0.01 0.00 -0.04 0.00 0.00 63.50 64.26 3gkf n PRO 231 Cb 0.63 -2.55 0.08 0.00 -0.04 0.00 0.00 33.50 31.62 3gkf n PRO 231 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3gkf h GLU 232 N 3.07 0.14 -0.77 0.54 3.07 -1.99 0.83 114.58 119.47 3gkf h GLU 232 Ca -0.48 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 58.54 3gkf h GLU 232 Cb 1.26 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 29.02 3gkf h GLU 232 CO 0.66 0.09 0.22 -0.09 -1.40 0.00 0.00 179.01 178.49 3gkf h ARG 233 N 0.15 0.28 -0.33 2.33 1.12 -1.98 0.19 114.38 116.14 3gkf h ARG 233 Ca 0.28 -0.02 -0.15 0.00 -1.11 0.00 0.00 59.98 58.98 3gkf h ARG 233 Cb 0.43 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.31 3gkf h ARG 233 CO -0.43 0.19 -0.40 0.93 -3.11 0.00 0.00 179.97 177.14 3gkf h GLU 234 N 0.29 0.80 -0.27 0.20 5.08 -1.22 -2.13 114.58 117.34 3gkf h GLU 234 Ca 0.45 -0.42 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3gkf h GLU 234 Cb 0.78 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3gkf h GLU 234 CO -0.52 1.06 0.10 0.00 -1.00 0.00 0.00 179.01 178.65 3gkf h ALA 235 N 0.89 0.35 -0.73 3.43 0.00 -0.21 -1.34 119.26 121.64 3gkf h ALA 235 Ca 0.05 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.89 3gkf h ALA 235 Cb 0.97 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3gkf h ALA 235 CO 0.09 -0.06 0.45 -0.07 0.00 0.00 0.00 179.25 179.66 3gkf h LEU 236 N 0.28 0.71 -0.80 0.00 3.38 -0.68 0.20 115.31 118.40 3gkf h LEU 236 Ca 0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3gkf h LEU 236 Cb 0.18 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3gkf h LEU 236 CO -0.01 0.47 0.52 -0.08 0.09 0.00 0.00 178.44 179.44 3gkf h GLU 237 N 0.84 1.03 -0.17 1.13 4.22 -1.05 0.47 114.58 121.05 3gkf h GLU 237 Ca 0.31 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.70 3gkf h GLU 237 Cb 0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3gkf h GLU 237 CO -0.14 0.68 0.06 1.98 -2.18 0.00 0.00 179.01 179.41 3gkf h MET 238 N 1.06 0.14 -0.01 1.92 4.05 -0.21 0.10 114.93 121.98 3gkf h MET 238 Ca 0.30 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.74 3gkf h MET 238 Cb -0.10 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 3gkf h MET 238 CO -0.07 0.09 -0.38 0.00 0.23 0.00 0.00 176.91 176.78 3gkf h TRP 240 N -0.53 0.54 -0.29 0.00 7.01 0.34 -1.10 115.95 121.91 3gkf h TRP 240 Ca 0.06 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.06 3gkf h TRP 240 Cb 0.62 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3gkf h TRP 240 CO -0.39 0.16 0.07 1.96 -2.79 0.00 0.00 178.44 177.45 3gkf h GLN 241 N 0.51 0.46 -0.18 2.65 1.08 -0.35 0.52 115.11 119.81 3gkf h GLN 241 Ca 0.35 -0.11 0.02 0.00 -1.45 0.00 0.00 58.65 57.46 3gkf h GLN 241 Cb 0.42 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 3gkf h GLN 241 CO -0.31 0.54 0.05 0.00 -0.95 0.00 0.00 178.83 178.16 3gkf h ALA 242 N 0.90 0.18 -0.16 3.87 0.00 -0.06 0.63 119.26 124.62 3gkf h ALA 242 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gkf h ALA 242 Cb 0.28 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gkf h ALA 242 CO 0.00 -0.39 0.07 0.82 0.00 0.00 0.00 179.25 179.75 3gkf h ILE 243 N 0.12 1.16 -0.62 0.00 1.08 -1.15 -1.15 117.51 116.95 3gkf h ILE 243 Ca 0.08 -0.47 0.13 0.00 -0.39 0.00 0.00 64.86 64.21 3gkf h ILE 243 Cb 0.06 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 3gkf h ILE 243 CO -0.09 0.15 0.42 -0.78 -0.69 0.00 0.00 178.15 177.16 3gkf h ASP 244 N 0.11 0.24 -0.49 1.72 3.58 -0.57 0.85 116.42 121.86 3gkf h ASP 244 Ca 0.05 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3gkf h ASP 244 Cb 0.17 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.18 3gkf h ASP 244 CO -0.00 0.13 0.00 0.00 -2.88 0.00 0.00 179.24 176.49 3gkf n GLN 245 N -4.44 3.69 -0.11 0.28 6.02 0.18 -4.93 117.38 118.08 3gkf n GLN 245 Ca 0.11 -2.40 0.00 0.00 -0.01 0.00 0.00 57.00 54.70 3gkf n GLN 245 Cb 0.50 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.80 3gkf n GLN 245 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gkf n GLY 246 N 0.71 0.87 3.75 1.08 0.00 0.29 -4.62 105.19 107.27 3gkf n GLY 246 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3gkf n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 247 N -2.04 2.37 -1.06 4.61 0.00 -0.49 -4.85 121.76 120.29 3gkf s ALA 247 Ca 0.00 0.86 0.21 0.00 0.00 0.00 0.00 51.96 53.03 3gkf s ALA 247 Cb 0.00 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.53 3gkf s ALA 247 CO 0.00 -1.45 0.95 0.43 0.00 0.00 0.00 175.76 175.69 3gkf n SER 248 N -2.19 1.02 -3.64 0.00 7.64 0.17 -4.63 113.62 111.98 3gkf n SER 248 Ca 0.13 -0.98 -0.03 0.00 1.01 0.00 0.00 58.87 59.00 3gkf n SER 248 Cb 0.50 0.91 -0.01 0.00 -1.01 0.00 0.00 64.21 64.60 3gkf n SER 248 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gkf s GLY 249 N -2.97 -0.34 0.02 0.23 0.00 -1.12 -1.18 107.32 101.97 3gkf s GLY 249 Ca 0.09 0.66 0.04 0.00 0.00 0.00 0.00 44.72 45.51 3gkf s GLY 249 CO 0.84 0.18 -0.11 -1.34 0.00 0.00 0.00 173.10 172.67 3gkf s VAL 250 N -2.90 0.85 -0.28 1.40 -7.23 -0.98 -2.13 120.40 109.13 3gkf s VAL 250 Ca 0.11 -0.75 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 3gkf s VAL 250 Cb 0.00 -0.77 0.07 0.00 0.56 0.00 0.00 36.38 36.25 3gkf s VAL 250 CO -0.03 0.02 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.10 3gkf s ASP 251 N -0.82 4.53 -0.47 4.85 2.15 0.23 -1.67 116.67 125.47 3gkf s ASP 251 Ca 0.01 -1.60 -0.19 0.00 0.43 0.00 0.00 52.55 51.19 3gkf s ASP 251 Cb -0.06 -1.57 0.04 0.00 -0.30 0.00 0.00 42.92 41.03 3gkf s ASP 251 CO 0.00 -0.24 0.60 -0.04 -0.17 0.00 0.00 175.17 175.32 3gkf s MET 252 N 1.05 3.16 0.00 4.34 -1.94 -1.25 -0.17 119.30 124.48 3gkf s MET 252 Ca -0.04 -0.72 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 3gkf s MET 252 Cb -0.20 -4.03 0.00 0.00 2.01 0.00 0.00 34.83 32.61 3gkf s MET 252 CO -0.06 -1.10 0.00 0.41 -0.01 0.00 0.00 175.02 174.27 3gkf n GLY 253 N 5.12 1.46 0.37 -0.03 0.00 -1.26 -4.01 105.19 106.84 3gkf n GLY 253 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.79 0.00 1.61 -0.00 -1.89 0.83 114.38 115.72 3gkf h ARG 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 3gkf h ARG 254 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 29.97 29.79 3gkf h ARG 254 CO 0.00 0.52 0.00 0.09 0.00 0.00 0.00 179.97 180.58 3gkf n ASN 255 N -4.60 0.00 0.01 7.04 3.02 -1.26 -1.14 115.26 118.33 3gkf n ASN 255 Ca 0.18 0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.99 3gkf n ASN 255 Cb 0.43 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3gkf n ASN 255 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3gkf n ILE 256 N -1.32 0.72 0.29 2.41 5.41 0.28 -4.34 119.36 122.80 3gkf n ILE 256 Ca 0.02 0.25 0.15 0.00 1.00 0.00 0.00 62.75 64.16 3gkf n ILE 256 Cb 0.04 -1.50 0.85 0.00 -0.71 0.00 0.00 39.64 38.32 3gkf n ILE 256 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 3gkf h PHE 257 N -0.15 0.00 0.00 1.39 -5.15 -1.41 -1.45 116.94 110.16 3gkf h PHE 257 Ca 0.00 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.66 3gkf h PHE 257 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.31 3gkf h PHE 257 CO -0.07 0.06 -0.96 1.96 -2.00 0.00 0.00 178.31 177.30 3gkf h GLN 258 N 0.00 0.00 -6.92 6.09 4.20 -1.34 -3.47 115.11 113.67 3gkf h GLN 258 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 3gkf h GLN 258 Cb 0.18 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.11 3gkf h GLN 258 CO 0.01 0.31 0.36 0.45 -0.67 0.00 0.00 178.83 179.29 3gkf n SER 259 N -2.99 1.73 0.28 1.46 2.88 -0.55 -4.87 113.62 111.57 3gkf n SER 259 Ca -0.03 0.91 0.17 0.00 -1.33 0.00 0.00 58.87 58.58 3gkf n SER 259 Cb 0.75 -1.48 0.74 0.00 -0.75 0.00 0.00 64.21 63.47 3gkf n SER 259 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gkf h ASP 260 N 1.01 0.00 -2.17 -3.46 3.32 -1.90 -3.31 116.42 109.91 3gkf h ASP 260 Ca -0.49 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.97 3gkf h ASP 260 Cb 1.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.48 3gkf h ASP 260 CO 0.54 0.05 -0.79 1.41 -1.72 0.00 0.00 179.24 178.73 3gkf n HIS 261 N -3.20 2.03 0.24 4.55 8.25 -1.26 -4.99 115.22 120.84 3gkf n HIS 261 Ca -0.00 -3.92 -0.16 0.00 -0.26 0.00 0.00 57.72 53.38 3gkf n HIS 261 Cb 0.28 -0.46 -0.08 0.00 1.12 0.00 0.00 29.99 30.85 3gkf n HIS 261 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3gkf h PRO 262 N 4.21 -0.76 -0.81 -0.41 0.11 -1.77 -1.92 132.00 130.64 3gkf h PRO 262 Ca 0.15 0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.37 3gkf h PRO 262 Cb 0.75 0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.98 3gkf h PRO 262 CO 0.68 -0.51 0.50 0.28 -0.21 0.00 0.00 178.00 178.74 3gkf h VAL 263 N -0.79 1.04 -0.49 3.15 2.07 -1.94 -0.08 116.25 119.21 3gkf h VAL 263 Ca -0.03 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3gkf h VAL 263 Cb 0.70 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 3gkf h VAL 263 CO -0.07 0.17 0.22 0.00 0.02 0.00 0.00 177.57 177.91 3gkf h ALA 264 N 1.39 0.62 -0.33 1.67 0.00 -1.80 -2.18 119.26 118.63 3gkf h ALA 264 Ca 0.35 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.35 3gkf h ALA 264 Cb 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3gkf h ALA 264 CO -0.17 -0.15 0.04 1.98 0.00 0.00 0.00 179.25 180.95 3gkf h MET 265 N 0.43 0.14 -0.36 0.00 -1.53 -0.24 -1.93 114.93 111.43 3gkf h MET 265 Ca 0.23 -0.01 0.03 0.00 -3.44 0.00 0.00 59.70 56.51 3gkf h MET 265 Cb 0.18 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.17 3gkf h MET 265 CO -0.19 0.09 0.18 0.52 0.14 0.00 0.00 176.91 177.65 3gkf h MET 266 N 0.15 0.35 -0.21 0.39 2.86 -0.81 0.15 114.93 117.81 3gkf h MET 266 Ca 0.16 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 3gkf h MET 266 Cb 0.19 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3gkf h MET 266 CO -0.23 0.23 0.10 0.87 1.06 0.00 0.00 176.91 178.95 3gkf h LYS 267 N 0.36 0.29 0.13 1.72 1.57 -1.16 0.76 116.57 120.24 3gkf h LYS 267 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3gkf h LYS 267 Cb 0.07 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3gkf h LYS 267 CO -0.11 0.23 -0.06 0.00 -0.57 0.00 0.00 179.45 178.93 3gkf h ALA 268 N 1.82 -0.17 -0.64 3.86 0.00 -0.14 -1.50 119.26 122.50 3gkf h ALA 268 Ca 0.08 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3gkf h ALA 268 Cb 0.03 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3gkf h ALA 268 CO -0.01 -0.59 0.13 0.28 0.00 0.00 0.00 179.25 179.06 3gkf h VAL 269 N -0.19 1.26 -0.68 0.00 2.07 0.11 -1.72 116.25 117.11 3gkf h VAL 269 Ca -0.02 -0.98 0.09 0.00 0.82 0.00 0.00 66.70 66.62 3gkf h VAL 269 Cb 0.14 0.66 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3gkf h VAL 269 CO 0.03 0.37 0.32 1.56 0.02 0.00 0.00 177.57 179.87 3gkf h GLN 270 N 0.96 0.54 0.09 1.57 4.20 0.57 0.08 115.11 123.12 3gkf h GLN 270 Ca 0.20 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 3gkf h GLN 270 Cb 0.40 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3gkf h GLN 270 CO 0.01 0.36 -0.04 0.00 -0.67 0.00 0.00 178.83 178.48 3gkf h ALA 271 N 1.42 -0.12 -0.44 3.87 0.00 -0.47 0.02 119.26 123.54 3gkf h ALA 271 Ca 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 3gkf h ALA 271 Cb 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3gkf h ALA 271 CO -0.27 -0.52 0.25 0.28 0.00 0.00 0.00 179.25 178.98 3gkf h VAL 272 N -0.21 1.16 0.30 0.00 2.07 -0.91 0.47 116.25 119.13 3gkf h VAL 272 Ca -0.01 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 3gkf h VAL 272 Cb 0.17 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3gkf h VAL 272 CO 0.02 0.16 -0.14 0.58 0.02 0.00 0.00 177.57 178.21 3gkf h VAL 273 N 0.58 0.00 0.24 2.57 2.07 -0.80 -3.11 116.25 117.80 3gkf h VAL 273 Ca 0.16 -0.37 -0.33 0.00 0.82 0.00 0.00 66.70 66.98 3gkf h VAL 273 Cb 0.04 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.85 3gkf h VAL 273 CO -0.03 0.00 -1.45 0.45 0.02 0.00 0.00 177.57 176.56 3gkf h HIS 274 N -0.77 0.92 -0.01 1.57 -0.00 -1.12 -3.38 115.15 112.36 3gkf h HIS 274 Ca -0.04 -0.67 0.00 0.00 -0.00 0.00 0.00 60.37 59.66 3gkf h HIS 274 Cb 0.31 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 3gkf h HIS 274 CO 0.03 1.53 -0.64 0.72 -0.00 0.00 0.00 177.93 179.57 3gkf n HIS 275 N -3.69 0.00 -0.78 2.45 8.25 -0.71 -4.98 115.22 115.76 3gkf n HIS 275 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3gkf n HIS 275 Cb 1.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.21 3gkf n HIS 275 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gkf n ASN 276 N -0.71 -0.18 -4.51 0.41 3.02 0.08 -4.96 115.26 108.41 3gkf n ASN 276 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.23 3gkf n ASN 276 Cb 0.36 -0.03 0.04 0.00 -0.61 0.00 0.00 39.78 39.54 3gkf n ASN 276 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gkf n GLU 277 N -2.06 0.65 -1.87 3.52 -0.58 -0.96 -4.92 120.64 114.42 3gkf n GLU 277 Ca 0.00 0.25 -0.31 0.00 -0.42 0.00 0.00 57.16 56.68 3gkf n GLU 277 Cb 0.00 -1.81 0.02 0.00 -0.57 0.00 0.00 31.44 29.07 3gkf n GLU 277 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gkf s THR 278 N -1.63 4.37 0.21 2.62 -4.23 -1.26 -4.45 115.64 111.27 3gkf s THR 278 Ca 0.70 0.86 -0.12 0.00 -1.18 0.00 0.00 61.69 61.95 3gkf s THR 278 Cb -0.46 -3.65 0.19 0.00 1.34 0.00 0.00 72.50 69.93 3gkf s THR 278 CO 0.53 -0.92 1.66 0.00 -0.54 0.00 0.00 174.62 175.35 3gkf h ALA 279 N -0.18 0.54 0.59 3.99 0.00 -1.91 -1.58 119.26 120.71 3gkf h ALA 279 Ca -0.45 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3gkf h ALA 279 Cb 1.20 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3gkf h ALA 279 CO 0.60 -0.40 -0.29 -0.44 0.00 0.00 0.00 179.25 178.72 3gkf h ASP 280 N 0.09 -0.69 -0.48 0.00 5.19 -1.97 0.98 116.42 119.54 3gkf h ASP 280 Ca 0.30 0.03 0.10 0.00 -0.62 0.00 0.00 57.03 56.83 3gkf h ASP 280 Cb 0.48 0.18 -0.09 0.00 0.18 0.00 0.00 39.33 40.09 3gkf h ASP 280 CO -0.53 -0.48 -0.09 0.03 -3.12 0.00 0.00 179.24 175.05 3gkf h ARG 281 N -0.80 0.03 -0.23 3.56 3.08 -1.91 0.24 114.38 118.35 3gkf h ARG 281 Ca -0.08 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.02 3gkf h ARG 281 Cb 0.61 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.58 3gkf h ARG 281 CO 0.13 0.02 -0.47 0.00 -1.07 0.00 0.00 179.97 178.57 3gkf h ALA 282 N 1.47 -0.65 -0.88 0.04 0.00 -0.86 -0.35 119.26 118.02 3gkf h ALA 282 Ca 0.23 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.27 3gkf h ALA 282 Cb 0.36 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 18.97 3gkf h ALA 282 CO -0.47 -0.97 0.50 -0.92 0.00 0.00 0.00 179.25 177.39 3gkf h TYR 283 N -0.47 0.89 -0.12 0.00 -0.00 0.22 -0.09 116.97 117.41 3gkf h TYR 283 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.84 3gkf h TYR 283 Cb 0.63 -0.26 -0.01 0.00 -0.00 0.00 0.00 36.73 37.09 3gkf h TYR 283 CO -0.58 0.29 0.07 0.93 -0.00 0.00 0.00 178.16 178.88 3gkf h GLU 284 N 0.75 0.16 0.00 1.82 5.08 0.61 0.19 114.58 123.19 3gkf h GLU 284 Ca 0.46 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.79 3gkf h GLU 284 Cb 0.55 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3gkf h GLU 284 CO -0.31 0.12 -0.08 1.37 -1.00 0.00 0.00 179.01 179.12 3gkf h LEU 285 N 0.14 0.00 0.23 1.33 -0.00 -0.68 0.60 115.31 116.94 3gkf h LEU 285 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.93 3gkf h LEU 285 Cb 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.63 3gkf h LEU 285 CO -0.01 0.08 -0.45 0.22 -0.00 0.00 0.00 178.44 178.28 3gkf h TYR 286 N 0.00 -1.25 -0.75 0.17 3.20 0.12 0.32 116.97 118.77 3gkf h TYR 286 Ca -0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3gkf h TYR 286 Cb 0.33 0.52 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 3gkf h TYR 286 CO 0.00 -0.56 0.29 -0.07 -1.64 0.00 0.00 178.16 176.17 3gkf h LEU 287 N -0.76 1.04 -0.35 2.82 3.38 -0.22 -2.66 115.31 118.57 3gkf h LEU 287 Ca -0.01 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3gkf h LEU 287 Cb 0.73 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3gkf h LEU 287 CO -0.19 0.93 -0.26 -1.28 0.09 0.00 0.00 178.44 177.73 3gkf h SER 288 N 1.10 -0.86 0.83 -0.43 0.87 0.59 -2.91 113.55 112.73 3gkf h SER 288 Ca 0.25 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3gkf h SER 288 Cb 0.23 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3gkf h SER 288 CO -0.02 -0.28 0.00 -0.62 -0.53 0.00 0.00 176.83 175.38 3gkf n GLU 289 N -5.40 0.09 0.00 2.24 -0.58 0.11 -5.05 120.64 112.05 3gkf n GLU 289 Ca 0.01 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 3gkf n GLU 289 Cb 0.31 -1.64 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28