#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 2.66 -0.26 1.61 1.02 -1.26 -5.11 119.74 118.40 3gkf s LYS 11 Ca 0.00 -0.64 0.02 0.00 0.02 0.00 0.00 55.97 55.37 3gkf s LYS 11 Cb 0.00 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.80 3gkf s LYS 11 CO 0.00 0.63 -0.10 0.34 -0.92 0.00 0.00 175.35 175.30 3gkf s ASP 12 N -1.24 4.37 0.00 2.83 2.15 -1.26 -4.95 116.67 118.56 3gkf s ASP 12 Ca 0.16 -1.27 0.27 0.00 0.43 0.00 0.00 52.55 52.13 3gkf s ASP 12 Cb -0.11 -1.57 0.76 0.00 -0.30 0.00 0.00 42.92 41.69 3gkf s ASP 12 CO 0.06 -0.18 1.58 0.49 -0.17 0.00 0.00 175.17 176.95 3gkf n PHE 13 N 4.49 0.00 -3.76 -5.34 3.72 -1.26 -4.96 117.46 110.35 3gkf n PHE 13 Ca -0.15 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.95 3gkf n PHE 13 Cb 0.43 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.99 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 0.39 -1.85 0.25 -1.08 3.00 -1.26 -4.83 116.66 111.28 3gkf n ARG 14 Ca 0.17 0.43 0.10 0.00 -0.00 0.00 0.00 57.85 58.55 3gkf n ARG 14 Cb 0.42 -4.19 0.64 0.00 0.00 0.00 0.00 32.46 29.33 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 -1.92 0.78 0.00 5.15 1.35 -2.02 -2.06 112.91 114.19 3gkf h THR 15 Ca -0.66 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 64.62 3gkf h THR 15 Cb 1.37 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 3gkf h THR 15 CO 0.52 0.15 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 3gkf n ASP 16 N -3.88 0.65 -4.03 5.36 5.75 -1.26 -4.51 116.55 114.62 3gkf n ASP 16 Ca -0.02 0.65 -0.31 0.00 -0.01 0.00 0.00 54.79 55.09 3gkf n ASP 16 Cb 0.24 -0.79 -0.15 0.00 -1.03 0.00 0.00 41.12 39.39 3gkf n ASP 16 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3gkf s GLN 17 N -3.28 2.10 0.05 0.11 0.74 -0.78 -5.11 119.66 113.50 3gkf s GLN 17 Ca 0.05 -1.17 -0.21 0.00 0.05 0.00 0.00 55.36 54.09 3gkf s GLN 17 Cb 0.10 -2.74 -0.06 0.00 1.10 0.00 0.00 33.01 31.40 3gkf s GLN 17 CO 0.41 -0.54 0.60 -1.25 -0.55 0.00 0.00 175.29 173.97 3gkf s PRO 18 N 1.22 4.29 0.25 1.67 0.04 -1.26 -4.92 135.00 136.29 3gkf s PRO 18 Ca -0.07 0.79 -0.31 0.00 0.04 0.00 0.00 61.00 61.45 3gkf s PRO 18 Cb -0.19 -3.28 -0.13 0.00 0.04 0.00 0.00 34.50 30.94 3gkf s PRO 18 CO -0.06 0.52 1.52 0.94 0.04 0.00 0.00 177.00 179.97 3gkf n GLN 19 N 2.11 2.37 -4.51 4.56 7.27 -1.26 -4.99 117.38 122.93 3gkf n GLN 19 Ca -0.08 0.85 -0.21 0.00 0.07 0.00 0.00 57.00 57.63 3gkf n GLN 19 Cb 0.51 -2.58 -0.15 0.00 2.41 0.00 0.00 30.24 30.43 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 -0.20 0.95 -0.10 3.69 2.20 -1.26 -5.12 119.74 119.89 3gkf s LYS 20 Ca 0.68 -0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 55.57 3gkf s LYS 20 Cb -0.58 -0.92 -0.02 0.00 -1.51 0.00 0.00 37.83 34.81 3gkf s LYS 20 CO 0.47 0.25 0.94 -0.80 -0.36 0.00 0.00 175.35 175.85 3gkf s ASN 21 N -0.34 7.18 -0.15 1.43 0.01 -1.26 -5.01 114.94 116.79 3gkf s ASN 21 Ca 0.04 1.44 -0.29 0.00 -0.71 0.00 0.00 52.86 53.34 3gkf s ASN 21 Cb -0.05 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 3gkf s ASN 21 CO -0.00 -0.38 1.22 -0.63 -1.51 0.00 0.00 177.10 175.80 3gkf s ILE 22 N 1.80 4.33 0.60 0.60 1.09 -1.26 -5.00 121.20 123.36 3gkf s ILE 22 Ca 0.46 1.62 -0.19 0.00 -1.10 0.00 0.00 60.65 61.43 3gkf s ILE 22 Cb -0.18 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.14 3gkf s ILE 22 CO 0.18 -0.12 1.26 -2.84 -0.10 0.00 0.00 174.94 173.32 3gkf s PRO 23 N 3.22 2.90 -0.35 2.79 0.02 -1.26 -5.01 135.00 137.31 3gkf s PRO 23 Ca 0.54 1.98 -0.09 0.00 0.02 0.00 0.00 61.00 63.44 3gkf s PRO 23 Cb -0.21 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.36 3gkf s PRO 23 CO 0.15 -1.30 0.15 0.12 -0.33 0.00 0.00 177.00 175.79 3gkf s PHE 24 N -1.47 3.25 -0.79 6.54 5.36 -1.26 -5.00 117.98 124.61 3gkf s PHE 24 Ca 0.78 -1.18 0.24 0.00 -0.96 0.00 0.00 56.93 55.80 3gkf s PHE 24 Cb -0.34 -2.35 0.27 0.00 -0.34 0.00 0.00 43.02 40.25 3gkf s PHE 24 CO 0.38 -0.68 1.23 0.25 -1.46 0.00 0.00 175.22 174.94 3gkf n THR 25 N 4.90 0.14 -1.57 0.12 -2.24 -1.26 -4.57 114.28 109.80 3gkf n THR 25 Ca -0.12 -0.14 -0.50 0.00 -2.27 0.00 0.00 64.05 61.01 3gkf n THR 25 Cb 0.45 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.79 1.43 -4.63 3.22 7.94 -1.26 -4.70 117.00 117.20 3gkf n LEU 26 Ca 0.04 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 3gkf n LEU 26 Cb 0.39 -1.19 -0.03 0.00 0.53 0.00 0.00 43.42 43.12 3gkf n LEU 26 CO 0.38 -1.30 1.73 1.17 -1.11 0.00 0.00 177.39 178.25 3gkf n LYS 27 N 1.92 2.45 -1.02 1.96 4.81 -1.26 -1.93 118.16 125.09 3gkf n LYS 27 Ca 0.16 0.81 -0.01 0.00 -0.87 0.00 0.00 58.31 58.40 3gkf n LYS 27 Cb 0.22 -3.13 -0.00 0.00 0.02 0.00 0.00 35.03 32.14 3gkf n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gkf n GLY 28 N 5.13 0.46 0.86 3.14 0.00 -1.24 -3.68 105.19 109.86 3gkf n GLY 28 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.11 -1.51 2.04 0.00 0.00 -1.26 -3.93 105.19 99.42 3gkf n GLY 30 Ca 0.26 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.56 4.99 -2.55 4.61 0.00 -1.26 -4.96 120.51 119.78 3gkf n ALA 31 Ca 0.07 -3.79 -0.27 0.00 0.00 0.00 0.00 53.44 49.44 3gkf n ALA 31 Cb 0.36 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.38 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 2.91 0.96 0.00 1.43 -1.25 -5.11 118.68 114.02 3gkf s LEU 32 Ca 0.51 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 3gkf s LEU 32 Cb 0.41 -1.62 0.17 0.00 0.03 0.00 0.00 46.19 45.17 3gkf s LEU 32 CO 0.03 0.12 1.09 -0.62 0.23 0.00 0.00 176.35 177.20 3gkf s ASP 33 N -2.70 2.84 0.15 2.29 2.15 -1.26 -4.66 116.67 115.48 3gkf s ASP 33 Ca 0.24 1.58 -0.17 0.00 0.43 0.00 0.00 52.55 54.62 3gkf s ASP 33 Cb -0.09 -2.23 0.05 0.00 -0.30 0.00 0.00 42.92 40.34 3gkf s ASP 33 CO 0.14 -3.05 1.74 -0.25 -0.17 0.00 0.00 175.17 173.59 3gkf h TRP 34 N -1.83 0.17 -0.49 -5.34 7.01 -1.99 -0.64 115.95 112.84 3gkf h TRP 34 Ca -0.51 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.50 3gkf h TRP 34 Cb 1.29 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 28.30 3gkf h TRP 34 CO 0.40 0.06 0.30 0.78 -2.79 0.00 0.00 178.44 177.18 3gkf h GLY 35 N 0.23 0.71 1.06 2.65 0.00 -1.92 0.22 103.07 106.01 3gkf h GLY 35 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.10 3gkf h GLY 35 CO -0.17 0.29 0.02 1.98 0.00 0.00 0.00 176.54 178.66 3gkf h MET 36 N 0.66 1.01 -0.03 4.80 1.85 -1.54 -0.78 114.93 120.89 3gkf h MET 36 Ca 0.18 -0.31 -0.04 0.00 -0.61 0.00 0.00 59.70 58.91 3gkf h MET 36 Cb -0.01 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.91 3gkf h MET 36 CO -0.03 0.99 -0.18 1.96 -0.40 0.00 0.00 176.91 179.25 3gkf h GLN 37 N 0.91 0.05 -0.30 0.39 4.20 -0.61 -2.11 115.11 117.64 3gkf h GLN 37 Ca 0.17 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3gkf h GLN 37 Cb 0.52 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3gkf h GLN 37 CO 0.03 0.24 -0.17 1.03 -0.67 0.00 0.00 178.83 179.28 3gkf h SER 38 N 0.05 0.67 -0.17 1.46 0.87 0.30 -0.40 113.55 116.33 3gkf h SER 38 Ca 0.01 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.13 3gkf h SER 38 Cb 0.35 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.12 3gkf h SER 38 CO 0.02 0.94 0.06 0.03 -0.53 0.00 0.00 176.83 177.35 3gkf h ARG 39 N 0.39 0.26 -0.77 2.24 3.08 -0.89 -2.05 114.38 116.64 3gkf h ARG 39 Ca 0.06 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3gkf h ARG 39 Cb 0.71 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.66 3gkf h ARG 39 CO 0.05 0.37 0.50 -0.07 -1.07 0.00 0.00 179.97 179.75 3gkf h LEU 40 N 0.10 0.60 -1.32 3.04 3.38 -1.36 -0.76 115.31 118.99 3gkf h LEU 40 Ca 0.05 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3gkf h LEU 40 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gkf h LEU 40 CO -0.00 0.36 -0.22 0.28 0.09 0.00 0.00 178.44 178.94 3gkf h SER 41 N 0.67 0.00 -0.42 -0.43 0.02 -0.48 0.80 113.55 113.70 3gkf h SER 41 Ca 0.36 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.17 3gkf h SER 41 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 3gkf h SER 41 CO -0.13 0.22 -0.27 0.03 -1.14 0.00 0.00 176.83 175.53 3gkf h ARG 42 N 0.00 0.93 0.14 3.45 3.08 -0.47 -3.34 114.38 118.18 3gkf h ARG 42 Ca -0.00 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.60 3gkf h ARG 42 Cb 0.65 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3gkf h ARG 42 CO 0.03 1.10 -0.07 0.82 -1.07 0.00 0.00 179.97 180.78 3gkf h ILE 43 N 0.76 0.77 -3.82 2.04 2.04 -1.10 -3.44 117.51 114.75 3gkf h ILE 43 Ca 0.09 -1.21 -0.63 0.00 1.00 0.00 0.00 64.86 64.11 3gkf h ILE 43 Cb 0.86 1.33 -0.16 0.00 -0.74 0.00 0.00 36.82 38.10 3gkf h ILE 43 CO 0.08 0.22 -0.50 -0.36 0.00 0.00 0.00 178.15 177.58 3gkf s PHE 44 N -3.01 3.24 0.06 1.37 0.08 0.20 -4.51 117.98 115.41 3gkf s PHE 44 Ca -0.11 0.16 -0.32 0.00 0.12 0.00 0.00 56.93 56.78 3gkf s PHE 44 Cb 0.00 -2.37 -0.11 0.00 -0.57 0.00 0.00 43.02 39.98 3gkf s PHE 44 CO 0.41 -0.11 1.86 -1.71 -0.10 0.00 0.00 175.22 175.57 3gkf n ASN 45 N 4.90 3.88 -0.37 1.36 2.85 0.77 -4.51 115.26 124.14 3gkf n ASN 45 Ca -0.14 0.97 -0.01 0.00 -0.11 0.00 0.00 54.58 55.29 3gkf n ASN 45 Cb 0.52 -1.50 0.12 0.00 1.24 0.00 0.00 39.78 40.17 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 8.96 1.30 0.28 1.20 0.11 -1.89 4.01 132.00 145.96 3gkf h PRO 46 Ca -0.48 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3gkf h PRO 46 Cb 1.24 -0.29 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3gkf h PRO 46 CO 0.94 0.86 -0.14 0.87 -0.21 0.00 0.00 178.00 180.32 3gkf h LYS 47 N 1.34 -0.36 0.00 1.05 1.79 -1.98 -3.31 116.57 115.09 3gkf h LYS 47 Ca 0.37 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3gkf h LYS 47 Cb -0.12 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 3gkf h LYS 47 CO -0.09 -0.19 -1.37 0.25 -1.08 0.00 0.00 179.45 176.97 3gkf n THR 48 N -5.22 0.00 -2.11 -0.16 -2.24 -1.00 -4.98 114.28 98.57 3gkf n THR 48 Ca -0.10 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 3gkf n THR 48 Cb 0.19 0.61 -0.01 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.41 0.07 3.21 3.38 0.00 1.32 -4.97 105.19 109.62 3gkf n GLY 49 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.41 1.22 -0.06 1.61 1.02 -1.20 -4.77 119.74 113.16 3gkf s LYS 50 Ca 0.00 -1.64 -0.12 0.00 0.02 0.00 0.00 55.97 54.23 3gkf s LYS 50 Cb 0.00 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.55 3gkf s LYS 50 CO 0.00 -0.38 0.30 -0.08 -0.92 0.00 0.00 175.35 174.27 3gkf s THR 51 N -4.11 0.03 -0.30 2.17 -1.32 -0.51 -0.16 115.64 111.43 3gkf s THR 51 Ca 0.39 -0.28 -0.07 0.00 -1.21 0.00 0.00 61.69 60.52 3gkf s THR 51 Cb 0.07 -0.52 0.01 0.00 -1.51 0.00 0.00 72.50 70.55 3gkf s THR 51 CO 0.12 -0.15 0.08 -0.69 -2.21 0.00 0.00 174.62 171.77 3gkf s VAL 52 N -0.66 3.93 -0.15 5.08 1.01 -1.26 -2.67 120.40 125.67 3gkf s VAL 52 Ca -0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 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 0.04 -0.01 -0.32 0.00 0.00 0.00 175.10 174.83 3gkf s MET 53 N 1.48 3.68 -0.47 2.72 0.00 -0.73 -0.55 119.30 125.44 3gkf s MET 53 Ca 0.02 -0.47 -0.12 0.00 0.00 0.00 0.00 55.69 55.12 3gkf s MET 53 Cb -0.18 -2.97 0.10 0.00 0.00 0.00 0.00 34.83 31.79 3gkf s MET 53 CO 0.02 0.29 0.36 -1.17 0.00 0.00 0.00 175.02 174.53 3gkf s LEU 54 N 0.24 5.62 -0.23 4.11 2.96 0.08 -3.95 118.68 127.52 3gkf s LEU 54 Ca -0.01 -1.66 -0.09 0.00 -0.22 0.00 0.00 54.13 52.15 3gkf s LEU 54 Cb -0.13 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.44 3gkf s LEU 54 CO 0.02 -0.67 0.12 0.00 -1.32 0.00 0.00 176.35 174.50 3gkf s ALA 55 N 1.48 3.47 -0.36 5.97 0.00 -1.26 -1.81 121.76 129.26 3gkf s ALA 55 Ca 0.04 -0.89 0.12 0.00 0.00 0.00 0.00 51.96 51.23 3gkf s ALA 55 Cb -0.26 -2.17 0.45 0.00 0.00 0.00 0.00 23.12 21.14 3gkf s ALA 55 CO 0.02 -0.14 1.07 1.97 0.00 0.00 0.00 175.76 178.68 3gkf n PHE 56 N 4.19 2.27 1.10 0.00 1.16 0.99 -4.70 117.46 122.47 3gkf n PHE 56 Ca -0.16 -2.76 0.12 0.00 -1.87 0.00 0.00 57.45 52.79 3gkf n PHE 56 Cb 0.52 -0.24 0.21 0.00 -1.61 0.00 0.00 39.48 38.36 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 -0.38 2.65 0.29 5.98 5.75 -1.23 -4.50 116.55 125.11 3gkf n ASP 57 Ca 0.25 -1.88 0.16 0.00 -0.01 0.00 0.00 54.79 53.31 3gkf n ASP 57 Cb 0.78 -0.01 0.90 0.00 -1.03 0.00 0.00 41.12 41.75 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 4.11 0.00 -0.34 2.11 -0.00 -1.92 -0.18 115.15 118.93 3gkf h HIS 58 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 60.37 60.47 3gkf h HIS 58 Cb 0.87 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 3gkf h HIS 58 CO 0.01 0.04 0.59 0.78 -0.00 0.00 0.00 177.93 179.35 3gkf h GLY 59 N 0.35 0.00 1.55 2.45 0.00 -1.79 -1.25 103.07 104.38 3gkf h GLY 59 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3gkf h GLY 59 CO 0.01 0.00 0.20 0.10 0.00 0.00 0.00 176.54 176.85 3gkf h TYR 60 N 0.00 0.58 0.00 5.60 -0.00 -1.31 -1.75 116.97 120.08 3gkf h TYR 60 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.88 3gkf h TYR 60 Cb 1.34 -0.19 0.00 0.00 0.00 0.00 0.00 36.73 37.88 3gkf h TYR 60 CO 0.00 0.43 0.00 1.97 -0.00 0.00 0.00 178.16 180.56 3gkf n PHE 61 N -4.40 0.00 0.29 0.10 1.16 -1.03 -4.70 117.46 108.88 3gkf n PHE 61 Ca 0.03 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.64 3gkf n PHE 61 Cb 0.12 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.95 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 -0.06 4.13 0.00 3.97 6.02 -0.50 -1.89 117.38 129.05 3gkf n GLN 62 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3gkf n GLN 62 Cb 0.06 -0.87 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 1.28 -0.27 3.33 1.08 0.00 -0.68 -4.28 105.19 105.66 3gkf n GLY 63 Ca 0.01 -1.06 -0.41 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 0.00 2.83 -1.00 1.61 -0.02 -1.26 -3.98 135.00 133.18 3gkf n PRO 64 Ca 0.00 -2.93 -0.33 0.00 -2.02 0.00 0.00 63.50 58.21 3gkf n PRO 64 Cb 0.00 -3.44 0.12 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 6.20 1.25 -1.69 3.45 -1.04 -1.26 -4.67 114.28 116.52 3gkf n THR 65 Ca 0.49 -0.21 -0.45 0.00 -2.04 0.00 0.00 64.05 61.85 3gkf n THR 65 Cb 0.44 -0.96 -0.04 0.00 -1.82 0.00 0.00 70.33 67.95 3gkf n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gkf n THR 66 N -3.34 0.01 0.00 12.58 -1.04 -1.26 -1.25 114.28 119.98 3gkf n THR 66 Ca 0.11 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 3gkf n THR 66 Cb 0.51 -1.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.31 3gkf n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gkf n GLY 67 N 3.64 2.76 0.90 3.41 0.00 -1.26 -4.76 105.19 109.87 3gkf n GLY 67 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 3.50 -0.03 0.99 4.77 -0.38 -4.65 117.00 121.20 3gkf n LEU 68 Ca 0.00 -2.28 -0.08 0.00 -0.03 0.00 0.00 56.01 53.62 3gkf n LEU 68 Cb 0.00 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 3gkf n LEU 68 CO 0.00 0.76 0.80 -0.33 -1.33 0.00 0.00 177.39 177.28 3gkf h GLU 69 N 2.50 -0.07 -3.23 3.23 3.07 -1.79 -3.33 114.58 114.94 3gkf h GLU 69 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 1.01 0.02 -0.40 0.00 -0.84 0.00 0.00 28.75 28.54 3gkf h GLU 69 CO 0.08 -0.05 -0.71 1.03 -1.40 0.00 0.00 179.01 177.96 3gkf s ARG 70 N -6.18 1.41 0.31 2.33 1.81 -1.26 -4.94 118.95 112.43 3gkf s ARG 70 Ca -0.14 -2.06 0.03 0.00 -1.72 0.00 0.00 55.73 51.84 3gkf s ARG 70 Cb 0.11 -2.59 0.61 0.00 -0.45 0.00 0.00 34.95 32.62 3gkf s ARG 70 CO 0.68 -1.12 1.87 0.82 -0.68 0.00 0.00 175.30 176.87 3gkf h ILE 71 N 5.50 0.95 0.00 1.52 1.08 -1.89 -0.90 117.51 123.76 3gkf h ILE 71 Ca -0.04 -0.32 -0.03 0.00 -0.39 0.00 0.00 64.86 64.08 3gkf h ILE 71 Cb 0.93 -0.07 -0.00 0.00 -3.07 0.00 0.00 36.82 34.61 3gkf h ILE 71 CO 0.53 0.17 -0.13 -2.24 -0.69 0.00 0.00 178.15 175.79 3gkf h ASP 72 N 0.93 0.00 0.00 1.72 2.03 -1.92 -0.95 116.42 118.23 3gkf h ASP 72 Ca 0.45 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.63 3gkf h ASP 72 Cb 0.45 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.93 3gkf h ASP 72 CO -0.21 0.13 -1.23 -0.38 -1.03 0.00 0.00 179.24 176.52 3gkf n ILE 73 N -3.43 1.30 0.12 4.15 5.41 -0.93 -4.28 119.36 121.70 3gkf n ILE 73 Ca -0.01 0.03 -0.14 0.00 1.00 0.00 0.00 62.75 63.64 3gkf n ILE 73 Cb 0.30 -2.00 -0.08 0.00 -0.71 0.00 0.00 39.64 37.16 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 -0.71 -0.21 0.55 4.38 -1.24 -1.25 -3.35 115.58 113.75 3gkf h ASN 74 Ca -0.19 -0.05 -0.28 0.00 0.71 0.00 0.00 56.30 56.50 3gkf h ASN 74 Cb 0.98 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 40.04 3gkf h ASN 74 CO -0.11 -0.09 -1.62 0.40 -1.29 0.00 0.00 177.43 174.71 3gkf h ILE 75 N -0.32 0.92 -0.86 2.57 1.08 -1.35 -3.39 117.51 116.16 3gkf h ILE 75 Ca -0.03 -2.74 0.20 0.00 -0.39 0.00 0.00 64.86 61.90 3gkf h ILE 75 Cb 0.24 2.44 -0.12 0.00 -3.07 0.00 0.00 36.82 36.32 3gkf h ILE 75 CO 0.04 0.52 0.35 0.00 -0.69 0.00 0.00 178.15 178.38 3gkf h ALA 76 N 1.02 1.32 0.00 1.87 0.00 -1.39 0.65 119.26 122.73 3gkf h ALA 76 Ca -0.25 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3gkf h ALA 76 Cb 1.97 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3gkf h ALA 76 CO 0.08 -0.31 0.00 -1.00 0.00 0.00 0.00 179.25 178.02 3gkf h PRO 77 N 0.40 0.00 0.00 0.00 0.13 -1.75 -3.12 132.00 127.66 3gkf h PRO 77 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.65 3gkf h PRO 77 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3gkf h PRO 77 CO -0.51 0.00 -0.41 -0.07 -0.23 0.00 0.00 178.00 176.79 3gkf h LEU 78 N 0.00 0.00 -0.11 1.56 3.38 0.09 -3.39 115.31 116.85 3gkf h LEU 78 Ca 0.00 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3gkf h LEU 78 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3gkf h LEU 78 CO 0.00 0.01 -0.03 -0.26 0.09 0.00 0.00 178.44 178.25 3gkf h PHE 79 N 0.00 -0.07 -0.02 1.13 0.04 -1.53 -2.38 116.94 114.11 3gkf h PHE 79 Ca 0.00 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.79 3gkf h PHE 79 Cb 0.95 0.05 -0.00 0.00 2.20 0.00 0.00 35.95 39.15 3gkf h PHE 79 CO 0.00 -0.05 0.18 1.05 -0.60 0.00 0.00 178.31 178.89 3gkf h GLU 80 N -0.01 0.00 -0.69 1.51 4.11 -1.83 -0.88 114.58 116.79 3gkf h GLU 80 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 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 -0.12 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.68 3gkf n HIS 81 N -3.05 1.29 -4.22 2.06 8.25 -0.90 -4.90 115.22 113.76 3gkf n HIS 81 Ca -0.02 -0.55 -0.30 0.00 -0.26 0.00 0.00 57.72 56.59 3gkf n HIS 81 Cb 0.25 -0.14 -0.10 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.51 3.00 0.03 -1.41 0.00 -0.34 -4.89 121.76 116.63 3gkf s ALA 82 Ca 0.50 -1.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 3gkf s ALA 82 Cb 0.30 -0.92 -0.25 0.00 0.00 0.00 0.00 23.12 22.25 3gkf s ALA 82 CO 0.28 0.64 1.11 -0.44 0.00 0.00 0.00 175.76 177.36 3gkf h ASP 83 N 3.54 0.69 -3.95 0.00 3.32 -1.12 -3.47 116.42 115.42 3gkf h ASP 83 Ca -0.49 -0.77 -0.18 0.00 0.02 0.00 0.00 57.03 55.61 3gkf h ASP 83 Cb 1.17 -0.21 -0.26 0.00 0.22 0.00 0.00 39.33 40.25 3gkf h ASP 83 CO 0.53 1.37 -0.52 0.54 -1.72 0.00 0.00 179.24 179.45 3gkf s VAL 84 N -3.17 0.01 0.03 -1.35 0.11 -1.06 -4.10 120.40 110.88 3gkf s VAL 84 Ca -0.12 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 58.84 3gkf s VAL 84 Cb 0.05 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 3gkf s VAL 84 CO 0.87 -0.05 0.17 -0.76 -3.33 0.00 0.00 175.10 172.00 3gkf s LEU 85 N -0.10 4.25 -0.10 2.54 1.43 0.20 -0.74 118.68 126.15 3gkf s LEU 85 Ca -0.02 0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 53.31 3gkf s LEU 85 Cb -0.02 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.51 3gkf s LEU 85 CO 0.00 0.21 0.01 -0.32 0.23 0.00 0.00 176.35 176.49 3gkf s MET 86 N -2.24 0.58 0.33 1.70 -2.45 -0.75 0.32 119.30 116.79 3gkf s MET 86 Ca 0.31 0.01 -0.10 0.00 -1.25 0.00 0.00 55.69 54.66 3gkf s MET 86 Cb -0.13 -1.20 0.02 0.00 1.25 0.00 0.00 34.83 34.77 3gkf s MET 86 CO 0.23 -0.38 0.57 0.00 1.05 0.00 0.00 175.02 176.49 3gkf s THR 88 N -3.15 3.03 0.22 0.00 -4.23 -1.26 -1.28 115.64 108.97 3gkf s THR 88 Ca 0.23 0.34 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 3gkf s THR 88 Cb -0.02 -3.13 -0.08 0.00 1.34 0.00 0.00 72.50 70.61 3gkf s THR 88 CO 0.14 -0.44 1.51 0.08 -0.54 0.00 0.00 174.62 175.38 3gkf h ARG 89 N -1.04 0.09 0.59 3.99 0.11 -1.97 -1.74 114.38 114.40 3gkf h ARG 89 Ca -0.47 -0.08 -0.02 0.00 0.10 0.00 0.00 59.98 59.51 3gkf h ARG 89 Cb 1.27 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.36 3gkf h ARG 89 CO 0.60 0.77 -0.39 0.78 0.10 0.00 0.00 179.97 181.83 3gkf h GLY 90 N 1.90 -1.03 1.02 0.08 0.00 -1.96 -1.83 103.07 101.25 3gkf h GLY 90 Ca -0.01 0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3gkf h GLY 90 CO 0.10 -0.36 0.40 -2.22 0.00 0.00 0.00 176.54 174.46 3gkf h ILE 91 N -0.93 1.24 0.10 2.60 1.08 -1.94 -2.34 117.51 117.32 3gkf h ILE 91 Ca -0.07 -0.62 0.01 0.00 -0.39 0.00 0.00 64.86 63.79 3gkf h ILE 91 Cb 0.77 0.25 -0.02 0.00 -3.07 0.00 0.00 36.82 34.75 3gkf h ILE 91 CO 0.05 0.27 -0.16 0.25 -0.69 0.00 0.00 178.15 177.87 3gkf h LEU 92 N 1.06 -0.44 -0.74 1.44 5.85 -1.25 0.31 115.31 121.54 3gkf h LEU 92 Ca 0.27 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.99 3gkf h LEU 92 Cb 0.07 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 3gkf h LEU 92 CO -0.04 -0.24 0.27 0.03 -0.34 0.00 0.00 178.44 178.12 3gkf h ARG 93 N -0.32 1.13 -0.00 1.25 3.08 -1.21 -2.51 114.38 115.79 3gkf h ARG 93 Ca 0.02 -0.22 -0.18 0.00 0.07 0.00 0.00 59.98 59.66 3gkf h ARG 93 Cb 0.33 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.23 3gkf h ARG 93 CO -0.08 0.94 -0.72 0.66 -1.07 0.00 0.00 179.97 179.70 3gkf h SER 94 N 1.08 0.63 0.00 7.04 4.64 -1.15 -3.42 113.55 122.38 3gkf h SER 94 Ca 0.24 -0.75 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3gkf h SER 94 Cb 0.26 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 3gkf h SER 94 CO -0.01 1.30 0.00 1.33 -0.87 0.00 0.00 176.83 178.58 3gkf n VAL 95 N -4.12 0.06 -3.57 0.95 0.24 0.08 -4.97 118.33 106.99 3gkf n VAL 95 Ca -0.10 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.34 61.63 3gkf n VAL 95 Cb 0.73 1.54 -0.11 0.00 -1.47 0.00 0.00 33.84 34.53 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 -0.06 5.22 0.10 3.34 1.01 -0.95 -4.70 120.40 124.37 3gkf s VAL 96 Ca 0.00 -0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 3gkf s VAL 96 Cb 0.00 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.71 3gkf s VAL 96 CO 0.00 0.12 1.56 -2.84 0.00 0.00 0.00 175.10 173.94 3gkf s PRO 97 N 1.73 4.23 0.40 2.72 0.02 -1.26 -4.72 135.00 138.11 3gkf s PRO 97 Ca 0.06 2.27 0.15 0.00 0.02 0.00 0.00 61.00 63.50 3gkf s PRO 97 Cb -0.17 -3.40 1.01 0.00 0.02 0.00 0.00 34.50 31.97 3gkf s PRO 97 CO 0.10 -0.63 1.84 -1.35 -0.33 0.00 0.00 177.00 176.63 3gkf h PRO 98 N 7.55 0.47 0.00 5.54 0.11 -1.95 0.22 132.00 143.94 3gkf h PRO 98 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gkf h PRO 98 Cb 1.20 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gkf h PRO 98 CO 0.91 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 179.01 3gkf n ALA 99 N -2.48 1.83 0.33 -0.75 0.00 -1.26 -2.43 120.51 115.74 3gkf n ALA 99 Ca 0.20 -0.07 0.21 0.00 0.00 0.00 0.00 53.44 53.78 3gkf n ALA 99 Cb 0.67 -1.21 1.12 0.00 0.00 0.00 0.00 19.45 20.03 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 0.11 -6.81 0.00 2.02 -0.93 -3.44 112.91 103.86 3gkf h THR 100 Ca 0.00 0.00 -0.56 0.00 0.77 0.00 0.00 66.41 66.62 3gkf h THR 100 Cb 0.07 0.96 -0.21 0.00 -1.74 0.00 0.00 68.15 67.24 3gkf h THR 100 CO 0.00 0.00 -0.87 -3.20 0.37 0.00 0.00 175.52 171.82 3gkf n ASN 101 N -3.23 -1.99 -4.30 4.18 5.15 -1.02 -4.87 115.26 109.18 3gkf n ASN 101 Ca -0.03 -1.08 -0.28 0.00 -0.60 0.00 0.00 54.58 52.59 3gkf n ASN 101 Cb 0.11 -2.50 -0.14 0.00 -0.53 0.00 0.00 39.78 36.72 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 -6.96 1.60 0.41 1.20 6.06 -1.26 -5.12 118.95 114.88 3gkf s ARG 102 Ca 0.53 -1.04 -0.26 0.00 -2.50 0.00 0.00 55.73 52.45 3gkf s ARG 102 Cb -0.29 -1.76 -0.09 0.00 0.06 0.00 0.00 34.95 32.87 3gkf s ARG 102 CO 0.95 0.45 1.36 -2.14 -2.50 0.00 0.00 175.30 173.42 3gkf s PRO 103 N -1.24 3.94 0.10 5.12 0.02 -1.26 -4.80 135.00 136.88 3gkf s PRO 103 Ca 0.10 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.51 3gkf s PRO 103 Cb -0.09 -2.78 -0.04 0.00 0.02 0.00 0.00 34.50 31.61 3gkf s PRO 103 CO 0.02 -0.57 -0.27 0.14 -0.33 0.00 0.00 177.00 176.00 3gkf s VAL 104 N -1.22 2.23 -0.35 3.83 -7.23 -1.26 -0.63 120.40 115.77 3gkf s VAL 104 Ca 0.57 -1.62 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 3gkf s VAL 104 Cb -0.41 -1.95 0.04 0.00 0.56 0.00 0.00 36.38 34.63 3gkf s VAL 104 CO 0.53 0.19 0.13 -0.69 -0.31 0.00 0.00 175.10 174.95 3gkf s VAL 105 N -0.97 3.93 0.16 1.32 1.01 0.15 -1.08 120.40 124.93 3gkf s VAL 105 Ca 0.13 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 3gkf s VAL 105 Cb -0.10 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.96 3gkf s VAL 105 CO 0.05 -0.22 1.19 -0.76 0.00 0.00 0.00 175.10 175.36 3gkf s LEU 106 N 1.42 4.44 -0.19 3.92 1.43 -0.55 -3.26 118.68 125.89 3gkf s LEU 106 Ca -0.01 2.19 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 3gkf s LEU 106 Cb -0.20 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.42 3gkf s LEU 106 CO 0.03 -0.38 1.05 -0.60 0.23 0.00 0.00 176.35 176.68 3gkf s ARG 107 N -0.02 4.30 -0.15 1.70 6.06 -0.40 0.01 118.95 130.45 3gkf s ARG 107 Ca 0.54 1.39 0.18 0.00 -2.50 0.00 0.00 55.73 55.34 3gkf s ARG 107 Cb -0.32 -3.62 0.35 0.00 0.06 0.00 0.00 34.95 31.42 3gkf s ARG 107 CO 0.35 -0.56 1.22 0.00 -2.50 0.00 0.00 175.30 173.81 3gkf n ALA 108 N 6.00 2.50 -2.44 6.12 0.00 0.36 -4.54 120.51 128.51 3gkf n ALA 108 Ca 0.11 -2.59 -0.22 0.00 0.00 0.00 0.00 53.44 50.74 3gkf n ALA 108 Cb 0.47 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.68 2.83 0.00 0.00 1.04 -1.22 0.16 113.70 113.84 3gkf s SER 109 Ca 0.35 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.88 3gkf s SER 109 Cb 0.30 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.24 3gkf s SER 109 CO 0.04 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.84 3gkf n GLY 110 N 0.14 -0.62 1.90 7.32 0.00 -0.44 -4.68 105.19 108.82 3gkf n GLY 110 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -2.56 4.61 0.00 -1.26 -0.31 120.51 120.99 3gkf n ALA 111 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3gkf n ALA 111 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.10 5.16 0.19 0.00 4.22 -1.23 -4.78 114.94 116.40 3gkf s ASN 112 Ca 0.00 -0.53 0.02 0.00 -2.14 0.00 0.00 52.86 50.22 3gkf s ASN 112 Cb 0.00 -0.98 -0.05 0.00 1.28 0.00 0.00 41.25 41.51 3gkf s ASN 112 CO 0.00 -0.28 -0.00 -0.44 -2.04 0.00 0.00 177.10 174.34 3gkf s SER 113 N -3.93 1.40 0.00 3.54 0.01 -1.26 -4.44 113.70 109.03 3gkf s SER 113 Ca 0.39 -1.18 0.24 0.00 1.31 0.00 0.00 55.95 56.71 3gkf s SER 113 Cb -0.05 0.08 1.32 0.00 0.21 0.00 0.00 66.02 67.58 3gkf s SER 113 CO 0.25 -0.55 1.82 2.30 0.41 0.00 0.00 173.24 177.47 3gkf n ILE 114 N -0.29 0.15 1.19 1.44 -5.35 -0.79 -2.80 119.36 112.90 3gkf n ILE 114 Ca -0.06 0.04 0.13 0.00 -0.27 0.00 0.00 62.75 62.58 3gkf n ILE 114 Cb 0.63 -0.64 0.35 0.00 -1.74 0.00 0.00 39.64 38.24 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 -1.17 0.90 0.00 7.28 4.77 -1.26 -4.95 117.00 122.56 3gkf n LEU 115 Ca 0.14 -0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 55.91 3gkf n LEU 115 Cb 0.15 -0.15 -0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3gkf n LEU 115 CO 0.17 0.18 -0.01 0.00 -1.33 0.00 0.00 177.39 176.39 3gkf n ALA 116 N -0.85 0.04 -1.71 -1.18 0.00 -1.12 -5.10 120.51 110.59 3gkf n ALA 116 Ca 0.11 -0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3gkf n ALA 116 Cb 0.34 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.86 3gkf n ALA 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gkf s GLU 117 N -2.09 4.13 0.23 0.00 2.56 -1.26 -4.75 118.70 117.53 3gkf s GLU 117 Ca 0.02 2.62 -0.01 0.00 0.00 0.00 0.00 54.97 57.60 3gkf s GLU 117 Cb 0.00 -3.28 0.26 0.00 2.00 0.00 0.00 34.13 33.11 3gkf s GLU 117 CO 0.01 -0.79 1.62 1.25 -0.56 0.00 0.00 175.26 176.79 3gkf h LEU 118 N 7.53 0.58 0.00 2.70 5.85 -1.96 -2.98 115.31 127.03 3gkf h LEU 118 Ca -0.44 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3gkf h LEU 118 Cb 1.21 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3gkf h LEU 118 CO 0.96 0.89 0.00 -1.54 -0.34 0.00 0.00 178.44 178.40 3gkf n SER 119 N -4.05 0.00 -4.27 1.25 3.41 -1.26 -4.60 113.62 104.09 3gkf n SER 119 Ca -0.01 -1.08 -0.43 0.00 -0.26 0.00 0.00 58.87 57.09 3gkf n SER 119 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.96 4.71 -4.52 4.04 5.15 -1.13 -4.55 115.26 118.01 3gkf n ASN 120 Ca 0.22 -2.92 -0.29 0.00 -0.60 0.00 0.00 54.58 50.98 3gkf n ASN 120 Cb 0.10 -1.68 -0.11 0.00 -0.53 0.00 0.00 39.78 37.57 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 3.22 1.89 0.30 1.20 2.02 -1.26 -3.48 118.70 122.59 3gkf s GLU 121 Ca 0.49 -1.14 0.05 0.00 0.02 0.00 0.00 54.97 54.39 3gkf s GLU 121 Cb 0.06 -2.17 -0.06 0.00 0.10 0.00 0.00 34.13 32.06 3gkf s GLU 121 CO 0.02 0.49 0.02 0.00 0.02 0.00 0.00 175.26 175.80 3gkf s ALA 122 N -1.19 2.30 0.25 5.21 0.00 0.58 -4.73 121.76 124.18 3gkf s ALA 122 Ca 0.19 -1.99 -0.30 0.00 0.00 0.00 0.00 51.96 49.87 3gkf s ALA 122 Cb -0.11 0.49 -0.10 0.00 0.00 0.00 0.00 23.12 23.41 3gkf s ALA 122 CO 0.11 -0.23 1.48 0.08 0.00 0.00 0.00 175.76 177.20 3gkf s VAL 123 N -3.22 2.57 -1.44 0.00 1.01 -1.26 -1.32 120.40 116.74 3gkf s VAL 123 Ca 0.33 0.47 0.12 0.00 0.00 0.00 0.00 61.98 62.90 3gkf s VAL 123 Cb 0.07 -3.30 0.12 0.00 0.00 0.00 0.00 36.38 33.27 3gkf s VAL 123 CO 0.14 0.07 0.92 0.00 0.00 0.00 0.00 175.10 176.22 3gkf n ALA 124 N 2.49 2.45 -3.49 5.51 0.00 0.42 -4.79 120.51 123.10 3gkf n ALA 124 Ca 0.08 -0.65 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 3gkf n ALA 124 Cb 0.40 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.99 -0.46 0.44 0.00 0.05 -1.25 -4.91 118.68 111.56 3gkf s LEU 125 Ca 0.15 0.15 -0.17 0.00 0.05 0.00 0.00 54.13 54.31 3gkf s LEU 125 Cb 0.10 2.23 -0.09 0.00 -2.05 0.00 0.00 46.19 46.38 3gkf s LEU 125 CO 0.15 -0.68 0.90 -0.94 -0.55 0.00 0.00 176.35 175.24 3gkf s SER 126 N -2.20 6.72 0.44 1.48 1.04 -1.26 -4.92 113.70 115.00 3gkf s SER 126 Ca 0.01 1.49 0.10 0.00 0.48 0.00 0.00 55.95 58.03 3gkf s SER 126 Cb -0.01 -2.47 0.99 0.00 0.10 0.00 0.00 66.02 64.63 3gkf s SER 126 CO -0.06 -0.44 2.08 -0.03 0.98 0.00 0.00 173.24 175.77 3gkf h MET 127 N 1.45 0.34 -0.72 4.02 4.05 -1.97 -0.92 114.93 121.17 3gkf h MET 127 Ca -0.48 -0.02 0.15 0.00 -0.28 0.00 0.00 59.70 59.07 3gkf h MET 127 Cb 1.18 -0.07 -0.14 0.00 -0.80 0.00 0.00 31.60 31.77 3gkf h MET 127 CO 0.62 0.24 -0.16 0.22 0.23 0.00 0.00 176.91 178.06 3gkf h ASP 128 N 0.35 -0.63 0.87 1.39 3.58 -1.97 0.49 116.42 120.49 3gkf h ASP 128 Ca 0.09 0.21 -0.23 0.00 0.42 0.00 0.00 57.03 57.52 3gkf h ASP 128 Cb -0.01 0.44 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3gkf h ASP 128 CO -0.02 -0.23 -1.11 -0.78 -2.88 0.00 0.00 179.24 174.22 3gkf h ASP 129 N 0.01 0.11 -0.81 2.28 3.58 -1.57 -1.21 116.42 118.83 3gkf h ASP 129 Ca 0.35 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.64 3gkf h ASP 129 Cb 0.55 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 3gkf h ASP 129 CO -0.73 1.10 0.37 0.00 -2.88 0.00 0.00 179.24 177.10 3gkf h ALA 130 N 0.88 1.04 -0.54 -0.78 0.00 -0.62 0.17 119.26 119.42 3gkf h ALA 130 Ca -0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 3gkf h ALA 130 Cb 1.84 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3gkf h ALA 130 CO 0.15 0.62 -0.13 0.28 0.00 0.00 0.00 179.25 180.17 3gkf h VAL 131 N 1.15 1.27 -0.08 0.00 2.07 0.02 -2.28 116.25 118.40 3gkf h VAL 131 Ca 0.28 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 3gkf h VAL 131 Cb 0.14 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3gkf h VAL 131 CO -0.03 0.46 -0.03 -0.09 0.02 0.00 0.00 177.57 177.90 3gkf h ARG 132 N 0.92 0.10 -0.41 1.57 2.43 -0.20 -1.24 114.38 117.54 3gkf h ARG 132 Ca 0.14 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3gkf h ARG 132 Cb 0.70 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3gkf h ARG 132 CO 0.05 0.14 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 3gkf n LEU 133 N -4.44 2.36 -3.69 3.80 4.77 0.51 -4.95 117.00 115.36 3gkf n LEU 133 Ca -0.02 -1.15 -0.23 0.00 -0.03 0.00 0.00 56.01 54.58 3gkf n LEU 133 Cb 0.15 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 3gkf n LEU 133 CO 0.35 0.58 0.07 -3.20 -1.33 0.00 0.00 177.39 173.86 3gkf n ASN 134 N 0.79 -3.22 -4.84 -1.43 5.15 -0.47 -4.95 115.26 106.29 3gkf n ASN 134 Ca 0.15 -0.72 -0.32 0.00 -0.60 0.00 0.00 54.58 53.09 3gkf n ASN 134 Cb 0.38 -4.39 -0.02 0.00 -0.53 0.00 0.00 39.78 35.22 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 -3.90 6.46 0.13 1.20 0.01 -0.91 -4.74 113.70 111.96 3gkf s SER 135 Ca 0.28 1.59 0.21 0.00 1.31 0.00 0.00 55.95 59.35 3gkf s SER 135 Cb -0.13 -2.51 -0.08 0.00 0.21 0.00 0.00 66.02 63.50 3gkf s SER 135 CO 0.79 -0.70 0.90 0.00 0.41 0.00 0.00 173.24 174.63 3gkf s ALA 137 N -3.28 -1.70 0.04 0.00 0.00 -1.22 -4.10 121.76 111.50 3gkf s ALA 137 Ca -0.02 0.41 0.08 0.00 0.00 0.00 0.00 51.96 52.43 3gkf s ALA 137 Cb 0.10 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 3gkf s ALA 137 CO 0.81 -0.93 -0.23 0.14 0.00 0.00 0.00 175.76 175.55 3gkf s VAL 138 N -3.25 1.89 0.04 0.00 -7.23 -0.54 -1.48 120.40 109.84 3gkf s VAL 138 Ca 0.10 -1.27 0.08 0.00 -1.81 0.00 0.00 61.98 59.07 3gkf s VAL 138 Cb -0.01 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 3gkf s VAL 138 CO -0.02 0.30 -0.22 0.00 -0.31 0.00 0.00 175.10 174.85 3gkf s ALA 139 N -0.78 1.90 0.10 1.32 0.00 0.10 -0.08 121.76 124.32 3gkf s ALA 139 Ca 0.10 -1.12 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 3gkf s ALA 139 Cb -0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.64 3gkf s ALA 139 CO 0.02 0.43 0.17 0.00 0.00 0.00 0.00 175.76 176.39 3gkf s ALA 140 N -0.80 -0.03 -0.05 0.00 0.00 -0.55 0.14 121.76 120.47 3gkf s ALA 140 Ca 0.09 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3gkf s ALA 140 Cb -0.09 0.56 -0.05 0.00 0.00 0.00 0.00 23.12 23.54 3gkf s ALA 140 CO 0.02 -0.52 0.26 -0.65 0.00 0.00 0.00 175.76 174.87 3gkf s GLN 141 N -3.90 3.64 -0.03 0.00 -1.52 -1.26 -0.55 119.66 116.04 3gkf s GLN 141 Ca 0.09 0.08 0.03 0.00 -1.95 0.00 0.00 55.36 53.61 3gkf s GLN 141 Cb 0.05 -3.18 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 3gkf s GLN 141 CO -0.08 0.72 -0.12 0.54 -0.25 0.00 0.00 175.29 176.11 3gkf s VAL 142 N -1.09 3.27 -0.57 1.09 0.11 0.17 -4.77 120.40 118.61 3gkf s VAL 142 Ca 0.20 -0.73 0.07 0.00 -2.93 0.00 0.00 61.98 58.58 3gkf s VAL 142 Cb -0.14 -2.33 0.26 0.00 -1.53 0.00 0.00 36.38 32.64 3gkf s VAL 142 CO 0.09 0.53 0.70 -1.22 -3.33 0.00 0.00 175.10 171.87 3gkf n TYR 143 N 2.07 2.57 -1.72 1.54 4.01 -1.26 -0.81 117.16 123.56 3gkf n TYR 143 Ca -0.17 -3.99 -0.42 0.00 -0.16 0.00 0.00 57.90 53.16 3gkf n TYR 143 Cb 0.52 -0.50 -0.00 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 0.92 2.08 0.00 -0.72 2.08 -1.26 -1.65 119.36 120.81 3gkf n ILE 144 Ca 0.28 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3gkf n ILE 144 Cb 0.45 -1.68 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 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 0.69 2.94 3.93 7.39 0.00 -1.26 -4.95 105.19 113.93 3gkf n GLY 145 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.64 3.89 0.30 1.61 0.01 -0.66 -4.98 113.70 112.23 3gkf s SER 146 Ca 0.00 0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.59 3gkf s SER 146 Cb 0.00 -0.61 0.47 0.00 0.21 0.00 0.00 66.02 66.09 3gkf s SER 146 CO 0.00 -2.23 1.81 -0.08 0.41 0.00 0.00 173.24 173.15 3gkf h GLU 147 N -1.17 0.63 -0.81 12.44 4.81 -1.94 -3.06 114.58 125.47 3gkf h GLU 147 Ca -0.44 -0.16 -0.55 0.00 -0.13 0.00 0.00 59.36 58.09 3gkf h GLU 147 Cb 1.27 -0.08 -0.31 0.00 0.63 0.00 0.00 28.75 30.26 3gkf h GLU 147 CO 0.48 0.67 0.13 0.66 -0.73 0.00 0.00 179.01 180.22 3gkf n TYR 148 N -4.23 2.73 0.11 0.92 4.01 -1.26 -4.69 117.16 114.75 3gkf n TYR 148 Ca 0.02 -2.46 0.01 0.00 -0.16 0.00 0.00 57.90 55.31 3gkf n TYR 148 Cb 0.29 -0.89 0.33 0.00 -0.31 0.00 0.00 39.34 38.76 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 1.84 0.24 0.43 -0.72 4.81 -1.68 -1.78 114.58 117.71 3gkf h GLU 149 Ca 0.47 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 3gkf h GLU 149 Cb 1.34 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.70 3gkf h GLU 149 CO 1.09 0.46 -0.21 1.25 -0.73 0.00 0.00 179.01 180.87 3gkf h HIS 150 N 0.22 -0.53 -0.78 0.92 2.76 -1.87 -2.33 115.15 113.53 3gkf h HIS 150 Ca 0.04 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.32 3gkf h HIS 150 Cb 0.52 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.57 3gkf h HIS 150 CO 0.01 -0.24 0.38 0.37 -1.30 0.00 0.00 177.93 177.14 3gkf h GLN 151 N -0.76 0.56 -0.95 5.26 5.75 -1.90 -0.88 115.11 122.18 3gkf h GLN 151 Ca -0.06 -0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.45 3gkf h GLN 151 Cb 0.53 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 28.90 3gkf h GLN 151 CO 0.10 0.37 0.62 0.66 -2.65 0.00 0.00 178.83 177.93 3gkf h SER 152 N 0.58 1.02 -0.09 -0.69 4.64 -1.03 0.23 113.55 118.21 3gkf h SER 152 Ca 0.41 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.53 3gkf h SER 152 Cb 0.54 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3gkf h SER 152 CO -0.34 0.69 -0.72 0.40 -0.87 0.00 0.00 176.83 175.99 3gkf h ILE 153 N 1.18 1.32 -0.97 0.95 2.04 -0.73 -2.65 117.51 118.65 3gkf h ILE 153 Ca 0.39 -1.98 0.18 0.00 1.00 0.00 0.00 64.86 64.44 3gkf h ILE 153 Cb 0.05 2.18 -0.09 0.00 -0.74 0.00 0.00 36.82 38.23 3gkf h ILE 153 CO -0.13 0.61 0.61 0.11 0.00 0.00 0.00 178.15 179.35 3gkf h LYS 154 N 0.31 0.66 -0.08 2.37 1.57 -0.37 0.77 116.57 121.80 3gkf h LYS 154 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3gkf h LYS 154 Cb 1.37 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3gkf h LYS 154 CO 0.15 0.44 0.04 -0.91 -0.57 0.00 0.00 179.45 178.60 3gkf h ASN 155 N 0.68 0.07 -0.30 0.86 2.35 -0.26 -0.02 115.58 118.97 3gkf h ASN 155 Ca 0.53 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.32 3gkf h ASN 155 Cb 0.91 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.23 3gkf h ASN 155 CO -0.29 0.05 0.06 0.40 -1.65 0.00 0.00 177.43 176.00 3gkf h ILE 156 N 0.09 0.86 -0.55 2.81 1.08 -0.78 -1.73 117.51 119.29 3gkf h ILE 156 Ca 0.03 -0.06 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 3gkf h ILE 156 Cb 0.00 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.37 3gkf h ILE 156 CO -0.02 0.03 0.25 0.40 -0.69 0.00 0.00 178.15 178.12 3gkf h ILE 157 N 0.17 0.89 -0.50 -0.67 2.04 -0.63 -0.31 117.51 118.49 3gkf h ILE 157 Ca 0.14 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.76 3gkf h ILE 157 Cb 0.15 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3gkf h ILE 157 CO -0.18 0.09 -0.00 -0.61 0.00 0.00 0.00 178.15 177.44 3gkf h GLN 158 N 0.47 0.83 -0.30 2.37 4.15 -0.58 0.65 115.11 122.71 3gkf h GLN 158 Ca 0.26 -0.23 -0.13 0.00 0.77 0.00 0.00 58.65 59.32 3gkf h GLN 158 Cb 0.22 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3gkf h GLN 158 CO -0.21 0.84 -0.34 -0.07 -1.93 0.00 0.00 178.83 177.12 3gkf h LEU 159 N 0.77 0.69 -0.30 -2.39 3.38 -0.43 -2.08 115.31 114.96 3gkf h LEU 159 Ca 0.15 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 3gkf h LEU 159 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3gkf h LEU 159 CO 0.02 0.97 -0.28 0.58 0.09 0.00 0.00 178.44 179.82 3gkf h VAL 160 N 0.56 1.30 -0.80 1.22 2.07 -0.58 0.36 116.25 120.38 3gkf h VAL 160 Ca 0.06 -1.44 0.12 0.00 0.82 0.00 0.00 66.70 66.26 3gkf h VAL 160 Cb 0.84 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 3gkf h VAL 160 CO 0.07 0.46 0.40 0.44 0.02 0.00 0.00 177.57 178.97 3gkf h ASP 161 N 0.48 0.50 -0.07 0.57 3.32 -0.71 -0.38 116.42 120.13 3gkf h ASP 161 Ca 0.05 0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.00 3gkf h ASP 161 Cb 0.85 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.41 3gkf h ASP 161 CO 0.07 0.24 -0.66 0.00 -1.72 0.00 0.00 179.24 177.17 3gkf h ALA 162 N 1.51 0.17 -0.70 3.45 0.00 -1.05 -3.20 119.26 119.44 3gkf h ALA 162 Ca 0.42 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 3gkf h ALA 162 Cb 0.53 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3gkf h ALA 162 CO -0.33 0.46 0.31 0.78 0.00 0.00 0.00 179.25 180.48 3gkf h GLY 163 N 0.16 1.07 1.60 0.00 0.00 0.11 -2.05 103.07 103.97 3gkf h GLY 163 Ca -0.06 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 3gkf h GLY 163 CO 0.13 0.51 -0.07 -0.33 0.00 0.00 0.00 176.54 176.78 3gkf h MET 164 N 0.99 0.49 0.00 4.80 2.07 -1.09 0.77 114.93 122.96 3gkf h MET 164 Ca 0.24 -0.12 -0.01 0.00 -2.07 0.00 0.00 59.70 57.73 3gkf h MET 164 Cb 0.14 -0.06 -0.00 0.00 -1.87 0.00 0.00 31.60 29.80 3gkf h MET 164 CO -0.03 0.57 -0.06 0.87 1.07 0.00 0.00 176.91 179.34 3gkf h LYS 165 N 0.46 0.00 0.00 1.72 1.57 -1.36 -3.32 116.57 115.64 3gkf h LYS 165 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3gkf h LYS 165 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gkf h LYS 165 CO 0.02 0.06 0.00 1.55 -0.57 0.00 0.00 179.45 180.51 3gkf n VAL 166 N -3.58 0.00 -0.49 0.50 3.14 0.05 -5.01 118.33 112.95 3gkf n VAL 166 Ca -0.02 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 3gkf n VAL 166 Cb 0.17 1.14 0.00 0.00 -1.06 0.00 0.00 33.84 34.09 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 0.40 0.88 3.50 7.55 0.00 0.25 -4.96 105.19 112.80 3gkf n GLY 167 Ca 0.00 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.12 3.72 0.59 1.61 0.00 -0.23 -3.91 119.30 119.97 3gkf s MET 168 Ca 0.00 -0.46 -0.17 0.00 0.00 0.00 0.00 55.69 55.06 3gkf s MET 168 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 34.83 31.29 3gkf s MET 168 CO 0.00 -0.23 1.10 -2.14 0.00 0.00 0.00 175.02 173.75 3gkf s PRO 169 N 1.68 3.16 -0.07 4.11 0.02 -1.26 -4.33 135.00 138.31 3gkf s PRO 169 Ca 0.06 1.43 0.05 0.00 0.02 0.00 0.00 61.00 62.57 3gkf s PRO 169 Cb -0.16 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 3gkf s PRO 169 CO 0.07 -0.97 -0.23 0.99 -0.33 0.00 0.00 177.00 176.53 3gkf s THR 170 N -2.14 2.19 -0.20 0.99 2.01 -1.26 -1.47 115.64 115.76 3gkf s THR 170 Ca 0.68 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.63 3gkf s THR 170 Cb -0.20 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.47 3gkf s THR 170 CO 0.34 0.57 -0.01 -0.32 -0.69 0.00 0.00 174.62 174.50 3gkf s MET 171 N -0.09 3.56 -0.21 4.92 1.75 0.88 -0.76 119.30 129.34 3gkf s MET 171 Ca -0.05 -0.55 -0.10 0.00 -1.25 0.00 0.00 55.69 53.74 3gkf s MET 171 Cb -0.14 -3.04 -0.05 0.00 2.84 0.00 0.00 34.83 34.44 3gkf s MET 171 CO 0.04 -0.01 0.15 0.00 -0.65 0.00 0.00 175.02 174.55 3gkf s ALA 172 N 1.04 3.66 -0.11 4.11 0.00 -0.20 -1.48 121.76 128.77 3gkf s ALA 172 Ca 0.01 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 3gkf s ALA 172 Cb -0.14 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.71 3gkf s ALA 172 CO 0.01 0.02 -0.04 0.08 0.00 0.00 0.00 175.76 175.83 3gkf s VAL 173 N 0.64 3.90 -0.46 0.00 1.01 0.29 -0.88 120.40 124.90 3gkf s VAL 173 Ca 0.08 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 3gkf s VAL 173 Cb -0.12 -2.66 0.03 0.00 0.00 0.00 0.00 36.38 33.63 3gkf s VAL 173 CO 0.01 0.55 0.67 0.42 0.00 0.00 0.00 175.10 176.75 3gkf s THR 174 N -0.27 4.79 0.06 3.92 -4.23 -0.80 0.46 115.64 119.57 3gkf s THR 174 Ca 0.05 0.08 0.01 0.00 -1.18 0.00 0.00 61.69 60.64 3gkf s THR 174 Cb -0.13 -4.25 -0.04 0.00 1.34 0.00 0.00 72.50 69.42 3gkf s THR 174 CO 0.02 -0.67 0.18 -0.83 -0.54 0.00 0.00 174.62 172.78 3gkf s GLY 175 N 2.15 2.15 0.00 3.99 0.00 0.01 -4.82 107.32 110.80 3gkf s GLY 175 Ca 0.23 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 44.08 3gkf s GLY 175 CO 0.19 -0.85 0.00 -0.62 0.00 0.00 0.00 173.10 171.82 3gkf n VAL 176 N 0.37 0.00 -2.15 1.40 0.31 -1.26 -4.41 118.33 112.59 3gkf n VAL 176 Ca -0.06 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.22 3gkf n VAL 176 Cb 0.51 -0.05 -0.01 0.00 -0.91 0.00 0.00 33.84 33.39 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 -0.01 0.36 -4.23 5.55 0.63 -1.26 -5.06 116.66 112.66 3gkf n ARG 182 Ca 0.00 -0.92 -0.28 0.00 -0.92 0.00 0.00 57.85 55.74 3gkf n ARG 182 Cb 0.00 0.46 -0.05 0.00 0.45 0.00 0.00 32.46 33.32 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 -0.90 4.41 0.14 6.15 -4.77 -1.26 -4.96 116.67 115.48 3gkf s ASP 183 Ca 0.02 -1.30 -0.24 0.00 -3.30 0.00 0.00 52.55 47.73 3gkf s ASP 183 Cb 0.12 0.12 -0.01 0.00 -1.09 0.00 0.00 42.92 42.06 3gkf s ASP 183 CO -0.03 -0.83 1.63 -0.61 0.70 0.00 0.00 175.17 176.03 3gkf h GLN 184 N 1.17 -0.30 -0.85 2.11 -0.00 -1.92 -1.21 115.11 114.11 3gkf h GLN 184 Ca -0.41 0.02 0.15 0.00 -0.00 0.00 0.00 58.65 58.41 3gkf h GLN 184 Cb 1.29 0.07 -0.06 0.00 0.00 0.00 0.00 27.48 28.77 3gkf h GLN 184 CO 0.67 -0.20 0.55 0.07 0.00 0.00 0.00 178.83 179.92 3gkf h ARG 185 N -0.32 0.57 0.57 1.69 0.11 -1.94 0.14 114.38 115.20 3gkf h ARG 185 Ca 0.11 -0.03 -0.03 0.00 0.10 0.00 0.00 59.98 60.12 3gkf h ARG 185 Cb 0.47 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.43 3gkf h ARG 185 CO -0.33 0.38 -0.27 -0.92 0.10 0.00 0.00 179.97 178.93 3gkf h TYR 186 N 0.59 -0.71 -0.27 4.08 3.20 -1.64 -2.39 116.97 119.82 3gkf h TYR 186 Ca 0.42 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.36 3gkf h TYR 186 Cb 0.78 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3gkf h TYR 186 CO -0.00 -0.38 0.22 0.74 -1.64 0.00 0.00 178.16 177.09 3gkf h PHE 187 N -1.08 0.00 0.20 -3.82 0.04 -0.68 -1.58 116.94 110.02 3gkf h PHE 187 Ca -0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3gkf h PHE 187 Cb 0.64 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.80 3gkf h PHE 187 CO 0.01 0.00 -0.10 0.77 -0.60 0.00 0.00 178.31 178.39 3gkf h SER 188 N 0.00 -0.23 -0.14 2.17 0.02 -0.64 0.26 113.55 114.99 3gkf h SER 188 Ca 0.13 -0.06 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 3gkf h SER 188 Cb 0.57 0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 3gkf h SER 188 CO -0.00 -0.09 -0.23 0.25 -1.14 0.00 0.00 176.83 175.62 3gkf h LEU 189 N -0.36 -0.72 -0.35 5.07 5.85 -0.83 -1.17 115.31 122.80 3gkf h LEU 189 Ca -0.03 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3gkf h LEU 189 Cb 0.27 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3gkf h LEU 189 CO 0.05 -0.28 0.04 0.00 -0.34 0.00 0.00 178.44 177.90 3gkf h ALA 190 N 0.68 0.47 -0.44 1.25 0.00 -1.09 -0.74 119.26 119.39 3gkf h ALA 190 Ca 0.10 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 190 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gkf h ALA 190 CO -0.31 0.20 -0.10 1.79 0.00 0.00 0.00 179.25 180.83 3gkf h THR 191 N 0.43 1.27 -0.24 0.00 1.35 -0.45 -2.66 112.91 112.61 3gkf h THR 191 Ca 0.10 -1.21 -0.08 0.00 -0.55 0.00 0.00 66.41 64.67 3gkf h THR 191 Cb 0.39 1.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3gkf h THR 191 CO 0.01 0.41 -0.18 -0.09 -0.25 0.00 0.00 175.52 175.43 3gkf h ARG 192 N 0.69 0.54 -0.50 4.72 9.65 -0.97 0.00 114.38 128.51 3gkf h ARG 192 Ca 0.11 -0.26 0.08 0.00 -1.10 0.00 0.00 59.98 58.81 3gkf h ARG 192 Cb 0.64 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.16 3gkf h ARG 192 CO 0.04 0.84 0.15 0.82 2.80 0.00 0.00 179.97 184.62 3gkf h ILE 193 N 0.24 0.79 -0.17 1.20 2.04 -1.18 0.17 117.51 120.60 3gkf h ILE 193 Ca 0.04 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 3gkf h ILE 193 Cb 0.71 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3gkf h ILE 193 CO 0.05 0.06 0.10 0.00 0.00 0.00 0.00 178.15 178.35 3gkf h ALA 194 N 1.36 0.22 -0.61 1.87 0.00 -1.12 0.83 119.26 121.80 3gkf h ALA 194 Ca 0.24 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3gkf h ALA 194 Cb 0.29 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3gkf h ALA 194 CO -0.28 -0.25 0.40 0.00 0.00 0.00 0.00 179.25 179.12 3gkf h ALA 195 N 1.00 0.77 -0.50 0.00 0.00 -0.74 -2.08 119.26 117.70 3gkf h ALA 195 Ca 0.06 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gkf h ALA 195 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3gkf h ALA 195 CO -0.01 0.20 0.06 1.49 0.00 0.00 0.00 179.25 180.99 3gkf h GLU 196 N 0.82 0.79 -0.24 0.00 4.57 -0.21 -1.12 114.58 119.19 3gkf h GLU 196 Ca 0.23 -0.19 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3gkf h GLU 196 Cb -0.09 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.38 3gkf h GLU 196 CO -0.05 0.76 -0.08 0.52 -1.18 0.00 0.00 179.01 178.98 3gkf h MET 197 N 0.75 0.38 0.00 1.92 2.86 -0.19 -3.46 114.93 117.19 3gkf h MET 197 Ca 0.16 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3gkf h MET 197 Cb 0.37 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.98 3gkf h MET 197 CO 0.01 0.47 0.00 0.41 1.06 0.00 0.00 176.91 178.86 3gkf n GLY 198 N -0.85 -0.38 3.74 8.32 0.00 -0.43 -4.94 105.19 110.66 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 3.66 -0.07 4.61 0.00 -1.04 -4.85 121.76 124.08 3gkf s ALA 199 Ca 0.00 1.35 0.13 0.00 0.00 0.00 0.00 51.96 53.44 3gkf s ALA 199 Cb 0.00 -3.57 -0.08 0.00 0.00 0.00 0.00 23.12 19.46 3gkf s ALA 199 CO 0.00 -0.76 1.16 1.96 0.00 0.00 0.00 175.76 178.12 3gkf h GLN 200 N 5.35 0.00 -5.51 0.00 7.50 -1.29 -3.42 115.11 117.74 3gkf h GLN 200 Ca -0.45 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.13 3gkf h GLN 200 Cb 1.22 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 28.44 3gkf h GLN 200 CO 0.80 0.56 -0.84 0.42 -1.50 0.00 0.00 178.83 178.27 3gkf s ILE 201 N -2.85 1.45 -0.13 2.54 1.01 -0.85 -3.80 121.20 118.56 3gkf s ILE 201 Ca 0.01 -0.75 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3gkf s ILE 201 Cb 0.08 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 3gkf s ILE 201 CO 0.79 0.41 -0.09 -0.63 0.00 0.00 0.00 174.94 175.42 3gkf s ILE 202 N -0.17 3.41 -0.12 2.92 -1.09 -0.43 -1.03 121.20 124.69 3gkf s ILE 202 Ca 0.01 -0.54 0.01 0.00 -2.23 0.00 0.00 60.65 57.90 3gkf s ILE 202 Cb -0.10 -2.45 -0.01 0.00 -1.58 0.00 0.00 42.46 38.32 3gkf s ILE 202 CO 0.01 0.52 -0.14 -0.75 -1.23 0.00 0.00 174.94 173.35 3gkf s LYS 203 N 0.24 3.26 0.20 2.79 2.20 -0.06 -0.67 119.74 127.71 3gkf s LYS 203 Ca -0.06 -0.71 -0.04 0.00 -0.36 0.00 0.00 55.97 54.80 3gkf s LYS 203 Cb -0.15 -2.57 0.02 0.00 -1.51 0.00 0.00 37.83 33.62 3gkf s LYS 203 CO 0.04 0.25 0.35 -2.37 -0.36 0.00 0.00 175.35 173.26 3gkf n THR 204 N 3.40 0.00 -3.96 3.43 5.66 0.79 -1.90 114.28 121.70 3gkf n THR 204 Ca -0.18 -0.76 -0.27 0.00 -3.05 0.00 0.00 64.05 59.78 3gkf n THR 204 Cb 0.53 0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 69.84 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 -4.57 3.45 0.43 1.09 2.02 -1.26 0.22 117.35 118.72 3gkf s TYR 205 Ca 0.12 0.13 -0.18 0.00 -0.37 0.00 0.00 57.07 56.77 3gkf s TYR 205 Cb -0.02 -1.67 -0.10 0.00 -0.40 0.00 0.00 41.96 39.78 3gkf s TYR 205 CO 0.09 0.53 0.91 -0.47 -1.57 0.00 0.00 175.55 175.04 3gkf s TYR 206 N -1.68 3.37 -0.03 2.71 5.04 -1.26 -4.94 117.35 120.55 3gkf s TYR 206 Ca 0.34 1.47 0.02 0.00 -2.44 0.00 0.00 57.07 56.46 3gkf s TYR 206 Cb -0.11 -2.75 0.01 0.00 0.35 0.00 0.00 41.96 39.45 3gkf s TYR 206 CO 0.28 -0.13 -0.08 0.08 -1.34 0.00 0.00 175.55 174.36 3gkf s VAL 207 N -2.26 0.69 0.33 3.14 1.01 -1.26 -5.03 120.40 117.02 3gkf s VAL 207 Ca 0.59 -0.28 0.12 0.00 0.00 0.00 0.00 61.98 62.41 3gkf s VAL 207 Cb -0.10 -0.64 0.05 0.00 0.00 0.00 0.00 36.38 35.69 3gkf s VAL 207 CO 0.19 0.23 1.75 -0.33 0.00 0.00 0.00 175.10 176.94 3gkf h GLU 208 N 6.61 0.00 -5.12 2.72 5.08 -1.97 -3.35 114.58 118.55 3gkf h GLU 208 Ca -0.34 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.35 3gkf h GLU 208 Cb 1.17 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 30.08 3gkf h GLU 208 CO 0.48 0.46 -0.86 0.21 -1.00 0.00 0.00 179.01 178.31 3gkf s LYS 209 N -3.96 3.02 0.00 2.33 2.20 -1.26 -4.80 119.74 117.27 3gkf s LYS 209 Ca -0.02 -0.83 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 3gkf s LYS 209 Cb 0.14 -2.54 0.00 0.00 -1.51 0.00 0.00 37.83 33.92 3gkf s LYS 209 CO 0.74 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 176.01 3gkf n GLY 210 N 4.40 0.76 0.35 5.54 0.00 -1.26 -4.43 105.19 110.54 3gkf n GLY 210 Ca -0.20 -0.20 0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 0.64 -0.95 1.61 3.57 -1.88 -1.21 116.94 118.73 3gkf h PHE 211 Ca 0.00 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.64 3gkf h PHE 211 Cb 0.00 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 38.45 3gkf h PHE 211 CO 0.00 0.34 0.61 0.93 -2.23 0.00 0.00 178.31 177.95 3gkf h GLU 212 N 0.63 0.86 -0.22 1.11 5.08 -1.92 0.06 114.58 120.18 3gkf h GLU 212 Ca 0.29 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 3gkf h GLU 212 Cb 0.31 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3gkf h GLU 212 CO -0.09 0.57 -0.37 0.00 -1.00 0.00 0.00 179.01 178.12 3gkf h ARG 213 N 0.89 0.50 0.37 2.33 3.08 -1.60 0.95 114.38 120.89 3gkf h ARG 213 Ca 0.47 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3gkf h ARG 213 Cb 0.55 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3gkf h ARG 213 CO -0.24 0.80 -0.18 0.82 -1.07 0.00 0.00 179.97 180.10 3gkf h ILE 214 N 0.42 0.64 -0.44 2.04 2.04 -0.93 0.13 117.51 121.41 3gkf h ILE 214 Ca 0.04 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.74 3gkf h ILE 214 Cb 0.84 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3gkf h ILE 214 CO 0.07 0.04 0.20 0.58 0.00 0.00 0.00 178.15 179.04 3gkf h VAL 215 N -0.61 0.93 -0.63 1.67 2.07 -1.11 -2.57 116.25 116.01 3gkf h VAL 215 Ca -0.05 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 3gkf h VAL 215 Cb 0.45 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3gkf h VAL 215 CO 0.08 0.07 0.06 0.00 0.02 0.00 0.00 177.57 177.81 3gkf h ALA 216 N 1.25 0.92 0.00 1.67 0.00 -0.68 -2.07 119.26 120.35 3gkf h ALA 216 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gkf h ALA 216 Cb 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gkf h ALA 216 CO -0.16 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.16 3gkf n GLY 217 N -0.55 -1.32 3.71 0.00 0.00 0.02 -4.72 105.19 102.33 3gkf n GLY 217 Ca 0.04 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 3.88 1.62 -4.27 0.00 -0.04 -1.26 -4.89 135.00 130.03 3gkf n PRO 219 Ca -0.11 -0.92 -0.15 0.00 -0.04 0.00 0.00 63.50 62.29 3gkf n PRO 219 Cb 0.52 -1.42 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.89 0.42 0.45 0.52 -7.23 -1.26 -3.67 120.40 107.74 3gkf s VAL 220 Ca 0.35 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 3gkf s VAL 220 Cb 0.18 -2.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 3gkf s VAL 220 CO 0.29 -0.11 1.41 -2.84 -0.31 0.00 0.00 175.10 173.54 3gkf s PRO 221 N -4.04 3.70 -0.07 4.82 0.02 -1.24 -4.78 135.00 133.41 3gkf s PRO 221 Ca 0.35 2.39 0.04 0.00 0.02 0.00 0.00 61.00 63.80 3gkf s PRO 221 Cb 0.07 -2.66 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 3gkf s PRO 221 CO 0.11 -0.79 -0.20 0.42 -0.33 0.00 0.00 177.00 176.20 3gkf s ILE 222 N -1.21 2.48 0.01 2.83 1.01 -1.26 -1.32 121.20 123.74 3gkf s ILE 222 Ca 0.61 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 60.43 3gkf s ILE 222 Cb -0.43 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3gkf s ILE 222 CO 0.55 0.57 -0.25 -0.69 0.00 0.00 0.00 174.94 175.12 3gkf s VAL 223 N -0.23 2.01 -0.07 2.92 1.01 0.16 0.89 120.40 127.10 3gkf s VAL 223 Ca -0.01 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.73 3gkf s VAL 223 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3gkf s VAL 223 CO 0.03 0.44 0.04 0.27 0.00 0.00 0.00 175.10 175.88 3gkf s ILE 224 N -0.70 4.57 0.25 2.22 -4.36 -0.69 -0.15 121.20 122.34 3gkf s ILE 224 Ca 0.10 -0.23 -0.20 0.00 -0.26 0.00 0.00 60.65 60.06 3gkf s ILE 224 Cb -0.10 -2.97 -0.09 0.00 1.25 0.00 0.00 42.46 40.56 3gkf s ILE 224 CO 0.01 0.54 0.76 0.00 0.24 0.00 0.00 174.94 176.49 3gkf s ALA 225 N -0.98 3.37 0.14 2.27 0.00 0.13 0.14 121.76 126.83 3gkf s ALA 225 Ca 0.16 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 3gkf s ALA 225 Cb -0.12 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 3gkf s ALA 225 CO 0.05 0.30 1.50 0.78 0.00 0.00 0.00 175.76 178.39 3gkf h GLY 226 N 3.27 1.02 0.00 0.00 0.00 -0.59 -3.40 103.07 103.37 3gkf h GLY 226 Ca -0.48 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 45.88 3gkf h GLY 226 CO 0.65 0.88 0.00 0.61 0.00 0.00 0.00 176.54 178.68 3gkf n GLY 227 N 0.03 -1.57 3.72 4.60 0.00 -1.26 -4.91 105.19 105.80 3gkf n GLY 227 Ca -0.01 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 2.30 0.34 1.61 -2.85 -1.26 -4.47 119.74 115.41 3gkf s LYS 228 Ca 0.00 1.97 -0.29 0.00 -1.00 0.00 0.00 55.97 56.65 3gkf s LYS 228 Cb 0.00 -1.83 -0.11 0.00 -2.06 0.00 0.00 37.83 33.83 3gkf s LYS 228 CO 0.00 -1.77 1.54 1.17 0.10 0.00 0.00 175.35 176.39 3gkf n LYS 229 N -2.30 2.69 -4.43 1.78 3.00 -1.26 -4.83 118.16 112.81 3gkf n LYS 229 Ca 0.15 0.95 -0.21 0.00 -0.00 0.00 0.00 58.31 59.20 3gkf n LYS 229 Cb 0.49 -2.70 -0.10 0.00 0.00 0.00 0.00 35.03 32.71 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 -1.31 2.47 0.39 3.14 1.43 -1.26 -5.04 118.68 118.50 3gkf s LEU 230 Ca 0.58 -1.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.22 3gkf s LEU 230 Cb -0.49 -0.62 -0.11 0.00 0.03 0.00 0.00 46.19 45.00 3gkf s LEU 230 CO 0.57 -0.35 1.40 -0.81 0.23 0.00 0.00 176.35 177.39 3gkf n PRO 231 N -0.58 2.37 -0.14 1.29 -0.04 -1.26 -4.76 135.00 131.88 3gkf n PRO 231 Ca -0.05 0.84 -0.03 0.00 -0.04 0.00 0.00 63.50 64.21 3gkf n PRO 231 Cb 0.63 -2.54 0.05 0.00 -0.04 0.00 0.00 33.50 31.61 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 2.63 0.19 -0.74 0.54 3.07 -1.99 0.17 114.58 118.45 3gkf h GLU 232 Ca -0.49 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 58.52 3gkf h GLU 232 Cb 1.26 -0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 29.01 3gkf h GLU 232 CO 0.63 0.12 0.07 -0.09 -1.40 0.00 0.00 179.01 178.34 3gkf h ARG 233 N 0.19 0.15 -0.41 2.33 1.12 -1.98 0.13 114.38 115.92 3gkf h ARG 233 Ca 0.23 -0.01 -0.13 0.00 -1.11 0.00 0.00 59.98 58.96 3gkf h ARG 233 Cb 0.30 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 3gkf h ARG 233 CO -0.32 0.10 -0.27 0.93 -3.11 0.00 0.00 179.97 177.30 3gkf h GLU 234 N 0.15 0.86 -0.15 0.20 5.08 -1.35 -2.16 114.58 117.21 3gkf h GLU 234 Ca 0.41 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gkf h GLU 234 Cb 0.73 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3gkf h GLU 234 CO -0.61 1.02 0.06 0.00 -1.00 0.00 0.00 179.01 178.49 3gkf h ALA 235 N 0.96 0.20 -0.85 3.43 0.00 -0.38 -1.55 119.26 121.06 3gkf h ALA 235 Ca 0.09 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3gkf h ALA 235 Cb 0.82 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 3gkf h ALA 235 CO 0.07 -0.22 0.50 -0.07 0.00 0.00 0.00 179.25 179.53 3gkf h LEU 236 N 0.09 0.72 -0.77 0.00 3.38 -0.73 0.20 115.31 118.20 3gkf h LEU 236 Ca 0.05 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3gkf h LEU 236 Cb 0.17 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3gkf h LEU 236 CO -0.00 0.41 0.36 -0.08 0.09 0.00 0.00 178.44 179.22 3gkf h GLU 237 N 0.83 1.12 -0.19 1.13 4.22 -1.07 0.83 114.58 121.45 3gkf h GLU 237 Ca 0.41 -0.17 0.01 0.00 0.08 0.00 0.00 59.36 59.69 3gkf h GLU 237 Cb 0.36 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3gkf h GLU 237 CO -0.24 0.88 0.09 1.98 -2.18 0.00 0.00 179.01 179.54 3gkf h MET 238 N 1.09 0.19 0.14 1.92 4.05 -0.30 0.13 114.93 122.15 3gkf h MET 238 Ca 0.26 -0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.69 3gkf h MET 238 Cb 0.14 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 3gkf h MET 238 CO -0.03 0.13 -0.33 0.00 0.23 0.00 0.00 176.91 176.90 3gkf h TRP 240 N -0.57 0.51 -0.17 0.00 7.01 0.11 -1.54 115.95 121.30 3gkf h TRP 240 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.05 3gkf h TRP 240 Cb 0.59 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.53 3gkf h TRP 240 CO -0.29 0.09 0.06 1.96 -2.79 0.00 0.00 178.44 177.47 3gkf h GLN 241 N 0.46 0.26 -0.05 2.65 1.08 -0.38 0.32 115.11 119.44 3gkf h GLN 241 Ca 0.39 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.57 3gkf h GLN 241 Cb 0.56 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.92 3gkf h GLN 241 CO -0.38 0.35 -0.16 0.00 -0.95 0.00 0.00 178.83 177.70 3gkf h ALA 242 N 0.89 -0.15 0.04 3.87 0.00 -0.44 0.13 119.26 123.61 3gkf h ALA 242 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gkf h ALA 242 Cb 0.20 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3gkf h ALA 242 CO -0.00 -0.63 -0.03 0.82 0.00 0.00 0.00 179.25 179.40 3gkf h ILE 243 N -0.24 0.93 -0.53 0.00 1.08 -1.26 -1.09 117.51 116.41 3gkf h ILE 243 Ca 0.07 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.68 3gkf h ILE 243 Cb 0.33 0.93 -0.02 0.00 -3.07 0.00 0.00 36.82 34.99 3gkf h ILE 243 CO -0.19 0.00 0.37 -0.78 -0.69 0.00 0.00 178.15 176.87 3gkf h ASP 244 N -0.07 0.06 -0.57 1.72 3.58 -0.61 0.69 116.42 121.22 3gkf h ASP 244 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3gkf h ASP 244 Cb 0.07 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.11 3gkf h ASP 244 CO -0.00 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 3gkf n GLN 245 N -4.40 2.63 0.00 0.28 6.02 0.41 -4.93 117.38 117.39 3gkf n GLN 245 Ca 0.09 -2.18 0.00 0.00 -0.01 0.00 0.00 57.00 54.91 3gkf n GLN 245 Cb 0.56 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 30.26 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 1.30 1.05 3.75 1.08 0.00 0.24 -4.60 105.19 108.00 3gkf n GLY 246 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 2.46 -1.43 4.61 0.00 -0.49 -4.84 121.76 120.08 3gkf s ALA 247 Ca 0.00 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.05 3gkf s ALA 247 Cb 0.00 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3gkf s ALA 247 CO 0.00 -1.28 1.05 0.43 0.00 0.00 0.00 175.76 175.96 3gkf n SER 248 N -1.94 1.34 -3.62 0.00 7.64 0.26 -4.64 113.62 112.66 3gkf n SER 248 Ca 0.13 -1.13 0.02 0.00 1.01 0.00 0.00 58.87 58.90 3gkf n SER 248 Cb 0.50 0.70 -0.00 0.00 -1.01 0.00 0.00 64.21 64.40 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 -2.78 -0.41 0.04 0.23 0.00 -1.12 -1.43 107.32 101.85 3gkf s GLY 249 Ca 0.13 0.69 0.04 0.00 0.00 0.00 0.00 44.72 45.58 3gkf s GLY 249 CO 0.73 0.53 -0.12 -1.34 0.00 0.00 0.00 173.10 172.89 3gkf s VAL 250 N -2.33 0.95 -0.26 1.40 -7.23 -1.09 -1.70 120.40 110.14 3gkf s VAL 250 Ca 0.15 -0.95 0.02 0.00 -1.81 0.00 0.00 61.98 59.39 3gkf s VAL 250 Cb 0.05 -0.88 0.05 0.00 0.56 0.00 0.00 36.38 36.16 3gkf s VAL 250 CO -0.04 -0.06 -0.09 -0.62 -0.31 0.00 0.00 175.10 173.98 3gkf s ASP 251 N -1.14 4.45 -0.47 4.85 2.15 0.36 -1.77 116.67 125.11 3gkf s ASP 251 Ca -0.00 -1.32 -0.16 0.00 0.43 0.00 0.00 52.55 51.49 3gkf s ASP 251 Cb -0.08 -1.58 0.06 0.00 -0.30 0.00 0.00 42.92 41.02 3gkf s ASP 251 CO 0.01 -0.19 0.44 -0.04 -0.17 0.00 0.00 175.17 175.22 3gkf s MET 252 N 1.14 3.03 0.00 4.34 -1.94 -1.25 0.19 119.30 124.81 3gkf s MET 252 Ca -0.07 -1.13 0.00 0.00 -1.71 0.00 0.00 55.69 52.78 3gkf s MET 252 Cb -0.19 -4.09 0.00 0.00 2.01 0.00 0.00 34.83 32.56 3gkf s MET 252 CO -0.05 -1.02 0.00 0.41 -0.01 0.00 0.00 175.02 174.36 3gkf n GLY 253 N 5.18 1.59 0.36 -0.03 0.00 -1.26 -3.98 105.19 107.04 3gkf n GLY 253 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 0.71 0.00 1.61 -0.00 -1.89 0.67 114.38 115.48 3gkf h ARG 254 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 3gkf h ARG 254 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 29.81 3gkf h ARG 254 CO 0.00 0.47 0.00 0.09 0.00 0.00 0.00 179.97 180.53 3gkf n ASN 255 N -4.74 0.00 0.01 7.04 3.02 -1.26 -1.17 115.26 118.16 3gkf n ASN 255 Ca 0.23 0.29 -0.01 0.00 -0.03 0.00 0.00 54.58 55.06 3gkf n ASN 255 Cb 0.59 -0.34 -0.00 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.34 0.84 0.29 2.41 5.41 0.23 -4.36 119.36 122.85 3gkf n ILE 256 Ca 0.02 0.27 0.15 0.00 1.00 0.00 0.00 62.75 64.18 3gkf n ILE 256 Cb 0.04 -1.53 0.88 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 -0.14 0.00 0.00 1.39 -5.15 -1.43 -1.94 116.94 109.67 3gkf h PHE 257 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 3gkf h PHE 257 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.31 3gkf h PHE 257 CO -0.06 0.03 -0.80 1.96 -2.00 0.00 0.00 178.31 177.44 3gkf h GLN 258 N 0.00 0.00 -7.02 6.09 4.20 -1.36 -3.47 115.11 113.55 3gkf h GLN 258 Ca -0.00 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.16 3gkf h GLN 258 Cb 0.09 0.00 0.14 0.00 0.30 0.00 0.00 27.48 28.01 3gkf h GLN 258 CO 0.00 0.10 0.59 0.45 -0.67 0.00 0.00 178.83 179.30 3gkf n SER 259 N -2.86 2.67 0.27 1.46 2.88 -0.73 -4.87 113.62 112.44 3gkf n SER 259 Ca -0.01 0.99 0.15 0.00 -1.33 0.00 0.00 58.87 58.67 3gkf n SER 259 Cb 0.61 -1.57 0.72 0.00 -0.75 0.00 0.00 64.21 63.23 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 1.49 0.00 -2.18 -3.46 3.32 -1.90 -3.31 116.42 110.38 3gkf h ASP 260 Ca -0.51 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 3gkf h ASP 260 Cb 1.30 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.44 3gkf h ASP 260 CO 0.57 0.09 -0.77 1.41 -1.72 0.00 0.00 179.24 178.82 3gkf n HIS 261 N -3.32 2.21 0.26 4.55 8.25 -1.26 -4.99 115.22 120.92 3gkf n HIS 261 Ca -0.01 -3.95 -0.16 0.00 -0.26 0.00 0.00 57.72 53.34 3gkf n HIS 261 Cb 0.28 -0.47 -0.08 0.00 1.12 0.00 0.00 29.99 30.84 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 4.22 -0.69 -0.97 -0.41 0.11 -1.78 -2.02 132.00 130.46 3gkf h PRO 262 Ca 0.16 0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.36 3gkf h PRO 262 Cb 0.74 0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 3gkf h PRO 262 CO 0.70 -0.46 0.64 0.28 -0.21 0.00 0.00 178.00 178.94 3gkf h VAL 263 N -0.72 1.15 -0.49 3.15 2.07 -1.94 0.34 116.25 119.82 3gkf h VAL 263 Ca -0.05 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.07 3gkf h VAL 263 Cb 0.60 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3gkf h VAL 263 CO 0.03 0.22 0.32 0.00 0.02 0.00 0.00 177.57 178.16 3gkf h ALA 264 N 1.44 0.62 -0.56 1.67 0.00 -1.78 -2.51 119.26 118.14 3gkf h ALA 264 Ca 0.40 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.33 3gkf h ALA 264 Cb 0.05 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 3gkf h ALA 264 CO -0.13 0.06 0.27 1.98 0.00 0.00 0.00 179.25 181.43 3gkf h MET 265 N 0.66 0.50 -0.63 0.00 -1.53 -0.25 -1.74 114.93 111.94 3gkf h MET 265 Ca 0.18 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.40 3gkf h MET 265 Cb -0.07 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 30.84 3gkf h MET 265 CO -0.04 0.33 0.34 0.52 0.14 0.00 0.00 176.91 178.19 3gkf h MET 266 N 0.51 0.88 -0.48 0.39 2.86 -0.87 0.13 114.93 118.35 3gkf h MET 266 Ca 0.26 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3gkf h MET 266 Cb 0.20 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3gkf h MET 266 CO -0.20 0.67 0.14 0.87 1.06 0.00 0.00 176.91 179.46 3gkf h LYS 267 N 0.85 0.71 0.01 1.72 1.57 -1.08 0.61 116.57 120.96 3gkf h LYS 267 Ca 0.22 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3gkf h LYS 267 Cb 0.06 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3gkf h LYS 267 CO -0.03 0.63 -0.17 0.00 -0.57 0.00 0.00 179.45 179.30 3gkf h ALA 268 N 1.46 -0.21 -0.50 3.86 0.00 -0.26 -1.70 119.26 121.91 3gkf h ALA 268 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gkf h ALA 268 Cb 0.22 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3gkf h ALA 268 CO -0.01 -0.66 0.14 0.28 0.00 0.00 0.00 179.25 178.99 3gkf h VAL 269 N -0.28 1.23 -0.65 0.00 2.07 0.44 -2.05 116.25 117.02 3gkf h VAL 269 Ca 0.05 -0.81 0.12 0.00 0.82 0.00 0.00 66.70 66.88 3gkf h VAL 269 Cb 0.35 0.81 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 3gkf h VAL 269 CO -0.16 0.29 0.19 1.56 0.02 0.00 0.00 177.57 179.48 3gkf h GLN 270 N 0.68 0.32 0.12 1.57 4.20 0.31 0.09 115.11 122.40 3gkf h GLN 270 Ca 0.16 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3gkf h GLN 270 Cb 0.30 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3gkf h GLN 270 CO -0.00 0.21 -0.12 0.00 -0.67 0.00 0.00 178.83 178.25 3gkf h ALA 271 N 1.49 -0.23 -0.14 3.87 0.00 -0.64 0.34 119.26 123.95 3gkf h ALA 271 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gkf h ALA 271 Cb 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3gkf h ALA 271 CO -0.39 -0.65 0.09 0.28 0.00 0.00 0.00 179.25 178.58 3gkf h VAL 272 N -0.26 1.05 0.49 0.00 2.07 -0.85 0.36 116.25 119.10 3gkf h VAL 272 Ca 0.00 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3gkf h VAL 272 Cb 0.25 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3gkf h VAL 272 CO -0.03 0.05 -0.24 0.58 0.02 0.00 0.00 177.57 177.95 3gkf h VAL 273 N 0.18 0.08 0.18 2.57 2.07 -0.79 -3.05 116.25 117.49 3gkf h VAL 273 Ca 0.05 -0.53 -0.34 0.00 0.82 0.00 0.00 66.70 66.70 3gkf h VAL 273 Cb -0.00 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 3gkf h VAL 273 CO -0.01 0.02 -1.71 0.45 0.02 0.00 0.00 177.57 176.33 3gkf h HIS 274 N -1.15 0.69 -0.01 1.57 -0.00 -1.04 -3.39 115.15 111.82 3gkf h HIS 274 Ca -0.07 -0.50 0.00 0.00 -0.00 0.00 0.00 60.37 59.80 3gkf h HIS 274 Cb 0.53 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 3gkf h HIS 274 CO 0.01 1.63 -0.57 0.72 -0.00 0.00 0.00 177.93 179.71 3gkf n HIS 275 N -3.57 0.00 -0.93 2.45 8.25 -0.62 -4.97 115.22 115.83 3gkf n HIS 275 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3gkf n HIS 275 Cb 1.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.18 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 -0.48 -1.41 -4.61 0.41 3.02 0.02 -4.96 115.26 107.24 3gkf n ASN 276 Ca 0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 3gkf n ASN 276 Cb 0.38 -0.24 0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 -2.47 1.22 -1.97 3.52 -0.58 -0.91 -4.92 120.64 114.53 3gkf n GLU 277 Ca 0.00 0.45 -0.32 0.00 -0.42 0.00 0.00 57.16 56.86 3gkf n GLU 277 Cb 0.00 -2.08 0.02 0.00 -0.57 0.00 0.00 31.44 28.81 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 -1.36 3.92 0.22 2.62 -4.23 -1.26 -4.39 115.64 111.15 3gkf s THR 278 Ca 0.67 0.84 -0.13 0.00 -1.18 0.00 0.00 61.69 61.89 3gkf s THR 278 Cb -0.51 -3.42 0.25 0.00 1.34 0.00 0.00 72.50 70.16 3gkf s THR 278 CO 0.54 -0.60 1.62 0.00 -0.54 0.00 0.00 174.62 175.64 3gkf h ALA 279 N 0.21 0.45 0.33 3.99 0.00 -1.92 -0.81 119.26 121.53 3gkf h ALA 279 Ca -0.46 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3gkf h ALA 279 Cb 1.21 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.49 3gkf h ALA 279 CO 0.58 -0.42 -0.16 -0.44 0.00 0.00 0.00 179.25 178.81 3gkf h ASP 280 N 0.01 -0.38 -0.43 0.00 5.19 -1.97 0.13 116.42 118.97 3gkf h ASP 280 Ca 0.32 0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.81 3gkf h ASP 280 Cb 0.49 0.10 -0.06 0.00 0.18 0.00 0.00 39.33 40.03 3gkf h ASP 280 CO -0.67 -0.27 0.04 0.03 -3.12 0.00 0.00 179.24 175.26 3gkf h ARG 281 N -0.45 0.16 -0.26 3.56 3.08 -1.87 -0.41 114.38 118.18 3gkf h ARG 281 Ca -0.05 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.05 3gkf h ARG 281 Cb 0.34 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 3gkf h ARG 281 CO 0.07 0.10 -0.37 0.00 -1.07 0.00 0.00 179.97 178.70 3gkf h ALA 282 N 1.36 -0.39 -1.00 0.04 0.00 -0.41 0.33 119.26 119.18 3gkf h ALA 282 Ca 0.21 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.26 3gkf h ALA 282 Cb 0.29 0.75 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 3gkf h ALA 282 CO -0.32 -0.83 0.64 -0.92 0.00 0.00 0.00 179.25 177.82 3gkf h TYR 283 N -0.37 1.17 -0.18 0.00 -0.00 -0.01 -0.20 116.97 117.38 3gkf h TYR 283 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.88 3gkf h TYR 283 Cb 0.58 -0.38 -0.01 0.00 -0.00 0.00 0.00 36.73 36.92 3gkf h TYR 283 CO -0.51 0.54 0.10 0.93 -0.00 0.00 0.00 178.16 179.22 3gkf h GLU 284 N 1.09 0.24 0.00 1.82 5.08 0.67 0.31 114.58 123.79 3gkf h GLU 284 Ca 0.46 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.79 3gkf h GLU 284 Cb 0.32 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3gkf h GLU 284 CO -0.21 0.21 -0.06 1.37 -1.00 0.00 0.00 179.01 179.32 3gkf h LEU 285 N 0.20 0.00 0.23 1.33 -0.00 -0.74 0.52 115.31 116.86 3gkf h LEU 285 Ca 0.06 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.95 3gkf h LEU 285 Cb 0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.66 3gkf h LEU 285 CO -0.01 0.06 -0.42 0.22 -0.00 0.00 0.00 178.44 178.28 3gkf h TYR 286 N 0.00 -1.18 -0.56 0.17 3.20 0.14 0.14 116.97 118.88 3gkf h TYR 286 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 3gkf h TYR 286 Cb 0.35 0.49 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3gkf h TYR 286 CO 0.00 -0.54 0.09 -0.07 -1.64 0.00 0.00 178.16 176.00 3gkf h LEU 287 N -0.73 0.85 -0.40 2.82 3.38 -0.00 -2.77 115.31 118.46 3gkf h LEU 287 Ca -0.00 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3gkf h LEU 287 Cb 0.71 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3gkf h LEU 287 CO -0.18 0.86 0.07 -1.28 0.09 0.00 0.00 178.44 178.00 3gkf h SER 288 N 0.85 -0.00 1.31 -0.43 0.87 0.45 -2.96 113.55 113.63 3gkf h SER 288 Ca 0.18 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 3gkf h SER 288 Cb 0.37 0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 3gkf h SER 288 CO 0.01 0.04 0.00 -0.33 -0.53 0.00 0.00 176.83 176.01 3gkf h GLU 289 N 0.20 0.00 0.00 2.24 4.39 -0.44 -3.50 114.58 117.47 3gkf h GLU 289 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3gkf h GLU 289 Cb 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3gkf h GLU 289 CO -0.26 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 179.22