#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 2.89 -0.27 1.61 1.02 -1.26 -5.11 119.74 118.62 3gkf s LYS 11 Ca 0.00 -0.49 -0.01 0.00 0.02 0.00 0.00 55.97 55.50 3gkf s LYS 11 Cb 0.00 -2.69 0.04 0.00 -0.52 0.00 0.00 37.83 34.66 3gkf s LYS 11 CO 0.00 0.66 -0.06 0.34 -0.92 0.00 0.00 175.35 175.38 3gkf s ASP 12 N -0.79 4.48 0.00 2.83 2.15 -1.26 -4.94 116.67 119.14 3gkf s ASP 12 Ca 0.12 -1.11 0.26 0.00 0.43 0.00 0.00 52.55 52.25 3gkf s ASP 12 Cb -0.11 -1.65 0.81 0.00 -0.30 0.00 0.00 42.92 41.67 3gkf s ASP 12 CO 0.02 -0.18 1.61 0.49 -0.17 0.00 0.00 175.17 176.94 3gkf n PHE 13 N 4.60 0.04 -3.88 -5.34 3.72 -1.26 -4.95 117.46 110.39 3gkf n PHE 13 Ca -0.15 -0.02 -0.32 0.00 -0.05 0.00 0.00 57.45 56.91 3gkf n PHE 13 Cb 0.45 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 0.49 -1.72 0.28 -1.08 3.00 -1.26 -4.80 116.66 111.56 3gkf n ARG 14 Ca 0.18 0.35 0.15 0.00 -0.00 0.00 0.00 57.85 58.53 3gkf n ARG 14 Cb 0.41 -3.94 0.84 0.00 0.00 0.00 0.00 32.46 29.78 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 -2.01 0.42 0.00 5.15 1.35 -2.01 -2.08 112.91 113.73 3gkf h THR 15 Ca -0.66 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3gkf h THR 15 Cb 1.38 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 3gkf h THR 15 CO 0.55 0.06 0.00 -2.24 -0.25 0.00 0.00 175.52 173.64 3gkf h ASP 16 N 0.00 0.00 -3.80 5.36 2.03 -2.04 -3.40 116.42 114.56 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 0.23 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.37 3gkf h ASP 16 CO 0.01 0.00 -0.78 -1.58 -1.03 0.00 0.00 179.24 175.86 3gkf s GLN 17 N -3.40 2.33 0.04 4.15 0.74 -0.78 -5.10 119.66 117.64 3gkf s GLN 17 Ca 0.05 -1.30 -0.20 0.00 0.05 0.00 0.00 55.36 53.96 3gkf s GLN 17 Cb 0.08 -2.95 -0.06 0.00 1.10 0.00 0.00 33.01 31.18 3gkf s GLN 17 CO 0.56 -0.56 0.60 -1.25 -0.55 0.00 0.00 175.29 174.09 3gkf s PRO 18 N 1.15 4.28 0.28 1.67 0.04 -1.26 -4.91 135.00 136.25 3gkf s PRO 18 Ca -0.07 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 61.43 3gkf s PRO 18 Cb -0.20 -3.30 -0.13 0.00 0.04 0.00 0.00 34.50 30.92 3gkf s PRO 18 CO -0.04 0.49 1.46 0.94 0.04 0.00 0.00 177.00 179.88 3gkf n GLN 19 N 2.27 2.30 -4.41 4.56 7.27 -1.26 -5.00 117.38 123.11 3gkf n GLN 19 Ca -0.08 0.82 -0.20 0.00 0.07 0.00 0.00 57.00 57.61 3gkf n GLN 19 Cb 0.51 -2.51 -0.14 0.00 2.41 0.00 0.00 30.24 30.51 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 -0.72 0.93 -0.08 3.69 2.20 -1.26 -5.13 119.74 119.37 3gkf s LYS 20 Ca 0.64 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 3gkf s LYS 20 Cb -0.58 -0.91 -0.02 0.00 -1.51 0.00 0.00 37.83 34.81 3gkf s LYS 20 CO 0.52 0.23 0.95 -0.80 -0.36 0.00 0.00 175.35 175.89 3gkf s ASN 21 N -0.81 7.22 -0.18 1.43 0.01 -1.26 -5.02 114.94 116.34 3gkf s ASN 21 Ca 0.02 1.49 -0.29 0.00 -0.71 0.00 0.00 52.86 53.37 3gkf s ASN 21 Cb -0.07 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 3gkf s ASN 21 CO 0.01 -0.36 1.23 -0.63 -1.51 0.00 0.00 177.10 175.84 3gkf s ILE 22 N 1.63 4.34 0.68 0.60 1.09 -1.26 -5.00 121.20 123.29 3gkf s ILE 22 Ca 0.47 1.62 -0.17 0.00 -1.10 0.00 0.00 60.65 61.47 3gkf s ILE 22 Cb -0.19 -4.05 0.01 0.00 -1.06 0.00 0.00 42.46 37.17 3gkf s ILE 22 CO 0.20 -0.14 1.28 -2.65 -0.10 0.00 0.00 174.94 173.53 3gkf n PRO 23 N 6.56 0.93 -3.74 2.79 -0.02 -1.26 -5.01 135.00 135.25 3gkf n PRO 23 Ca 0.14 0.38 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 3gkf n PRO 23 Cb 0.45 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 3gkf n PRO 23 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gkf s PHE 24 N -1.53 3.21 -0.69 6.00 5.36 -1.26 -5.01 117.98 124.05 3gkf s PHE 24 Ca 0.81 -1.18 0.24 0.00 -0.96 0.00 0.00 56.93 55.83 3gkf s PHE 24 Cb -0.36 -2.28 0.22 0.00 -0.34 0.00 0.00 43.02 40.26 3gkf s PHE 24 CO 0.42 -0.65 1.19 0.25 -1.46 0.00 0.00 175.22 174.97 3gkf n THR 25 N 4.85 0.20 -1.59 0.12 -2.24 -1.26 -4.55 114.28 109.82 3gkf n THR 25 Ca -0.13 -0.21 -0.48 0.00 -2.27 0.00 0.00 64.05 60.96 3gkf n THR 25 Cb 0.46 0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.93 1.72 -4.65 3.22 7.94 -1.26 -4.70 117.00 117.34 3gkf n LEU 26 Ca 0.03 1.15 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 3gkf n LEU 26 Cb 0.42 -1.25 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 3gkf n LEU 26 CO 0.38 -1.23 1.50 -0.75 -1.11 0.00 0.00 177.39 176.18 3gkf s LYS 27 N -0.54 3.98 -0.04 1.96 2.20 -1.26 -2.00 119.74 124.04 3gkf s LYS 27 Ca 0.71 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.54 3gkf s LYS 27 Cb -0.81 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 31.42 3gkf s LYS 27 CO 0.53 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.83 3gkf n GLY 28 N 4.54 0.43 0.77 5.54 0.00 -1.23 -3.63 105.19 111.61 3gkf n GLY 28 Ca 0.20 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.22 1.82 0.00 0.00 -1.26 -3.97 105.19 99.45 3gkf n GLY 30 Ca 0.24 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.26 4.61 -2.49 4.61 0.00 -1.26 -4.94 120.51 119.78 3gkf n ALA 31 Ca 0.11 -3.63 -0.29 0.00 0.00 0.00 0.00 53.44 49.63 3gkf n ALA 31 Cb 0.29 -0.36 -0.11 0.00 0.00 0.00 0.00 19.45 19.27 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 -3.50 2.72 0.92 0.00 1.43 -1.25 -5.10 118.68 113.89 3gkf s LEU 32 Ca 0.47 -0.55 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 3gkf s LEU 32 Cb 0.40 -1.56 0.15 0.00 0.03 0.00 0.00 46.19 45.21 3gkf s LEU 32 CO 0.01 0.18 1.11 -0.62 0.23 0.00 0.00 176.35 177.27 3gkf s ASP 33 N -2.12 2.97 0.17 2.29 2.15 -1.26 -4.66 116.67 116.21 3gkf s ASP 33 Ca 0.18 1.97 -0.15 0.00 0.43 0.00 0.00 52.55 54.98 3gkf s ASP 33 Cb -0.11 -2.49 0.14 0.00 -0.30 0.00 0.00 42.92 40.17 3gkf s ASP 33 CO 0.10 -3.03 1.71 -0.25 -0.17 0.00 0.00 175.17 173.53 3gkf h TRP 34 N -1.82 0.06 -0.58 -5.34 7.01 -1.99 -0.83 115.95 112.46 3gkf h TRP 34 Ca -0.46 0.03 0.03 0.00 2.11 0.00 0.00 58.89 60.59 3gkf h TRP 34 Cb 1.27 0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 28.34 3gkf h TRP 34 CO 0.48 -0.05 0.36 0.78 -2.79 0.00 0.00 178.44 177.22 3gkf h GLY 35 N 0.16 0.83 1.07 2.65 0.00 -1.92 0.44 103.07 106.30 3gkf h GLY 35 Ca 0.22 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.13 3gkf h GLY 35 CO -0.32 0.23 -0.41 1.98 0.00 0.00 0.00 176.54 178.01 3gkf h MET 36 N 0.70 0.83 0.00 4.80 1.85 -1.48 -0.97 114.93 120.65 3gkf h MET 36 Ca 0.23 -0.47 -0.04 0.00 -0.61 0.00 0.00 59.70 58.81 3gkf h MET 36 Cb 0.02 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 3gkf h MET 36 CO -0.10 1.11 -0.20 1.96 -0.40 0.00 0.00 176.91 179.28 3gkf h GLN 37 N 0.61 0.00 -0.20 0.39 4.20 -0.61 -1.63 115.11 117.87 3gkf h GLN 37 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 3gkf h GLN 37 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 3gkf h GLN 37 CO 0.10 0.20 -0.00 1.03 -0.67 0.00 0.00 178.83 179.48 3gkf h SER 38 N 0.00 0.34 -0.46 1.46 0.87 0.54 -1.32 113.55 114.97 3gkf h SER 38 Ca -0.00 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.23 3gkf h SER 38 Cb 0.36 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3gkf h SER 38 CO 0.03 0.57 0.20 0.03 -0.53 0.00 0.00 176.83 177.13 3gkf h ARG 39 N 0.11 0.68 -0.40 2.24 3.08 -0.74 -1.92 114.38 117.44 3gkf h ARG 39 Ca 0.06 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 3gkf h ARG 39 Cb 0.39 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3gkf h ARG 39 CO 0.01 0.60 0.12 -0.07 -1.07 0.00 0.00 179.97 179.56 3gkf h LEU 40 N 0.61 0.52 -1.37 3.04 3.38 -1.29 -1.59 115.31 118.61 3gkf h LEU 40 Ca 0.16 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3gkf h LEU 40 Cb 0.16 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3gkf h LEU 40 CO -0.02 0.50 -0.25 0.28 0.09 0.00 0.00 178.44 179.05 3gkf h SER 41 N 0.56 0.00 -0.34 -0.43 0.02 -0.71 0.16 113.55 112.81 3gkf h SER 41 Ca 0.13 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.96 3gkf h SER 41 Cb 0.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3gkf h SER 41 CO -0.01 0.25 -0.25 0.03 -1.14 0.00 0.00 176.83 175.71 3gkf h ARG 42 N 0.00 0.85 0.06 3.45 3.08 -0.53 -3.34 114.38 117.95 3gkf h ARG 42 Ca -0.00 -0.36 -0.00 0.00 0.07 0.00 0.00 59.98 59.68 3gkf h ARG 42 Cb 0.63 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.65 3gkf h ARG 42 CO 0.03 1.00 -0.03 0.82 -1.07 0.00 0.00 179.97 180.72 3gkf h ILE 43 N 0.73 0.82 -3.72 2.04 2.04 -1.10 -3.44 117.51 114.87 3gkf h ILE 43 Ca 0.09 -1.45 -0.63 0.00 1.00 0.00 0.00 64.86 63.88 3gkf h ILE 43 Cb 0.78 1.49 -0.15 0.00 -0.74 0.00 0.00 36.82 38.20 3gkf h ILE 43 CO 0.06 0.26 -0.41 -0.36 0.00 0.00 0.00 178.15 177.70 3gkf s PHE 44 N -2.38 3.27 0.06 1.37 0.08 0.48 -4.55 117.98 116.30 3gkf s PHE 44 Ca -0.10 0.27 -0.33 0.00 0.12 0.00 0.00 56.93 56.89 3gkf s PHE 44 Cb -0.01 -2.41 -0.12 0.00 -0.57 0.00 0.00 43.02 39.91 3gkf s PHE 44 CO 0.37 -0.10 1.80 -1.71 -0.10 0.00 0.00 175.22 175.48 3gkf n ASN 45 N 4.85 3.62 -0.33 1.36 2.85 -0.15 -4.45 115.26 123.01 3gkf n ASN 45 Ca -0.12 1.00 -0.04 0.00 -0.11 0.00 0.00 54.58 55.30 3gkf n ASN 45 Cb 0.52 -1.46 0.08 0.00 1.24 0.00 0.00 39.78 40.16 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 8.25 1.24 0.46 1.20 0.11 -1.90 2.75 132.00 144.12 3gkf h PRO 46 Ca -0.47 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.47 3gkf h PRO 46 Cb 1.25 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3gkf h PRO 46 CO 0.93 0.92 -0.27 0.87 -0.21 0.00 0.00 178.00 180.25 3gkf h LYS 47 N 1.24 -0.66 0.00 1.05 1.79 -1.98 -3.32 116.57 114.69 3gkf h LYS 47 Ca 0.31 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3gkf h LYS 47 Cb 0.06 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3gkf h LYS 47 CO -0.05 -0.44 -1.35 0.25 -1.08 0.00 0.00 179.45 176.78 3gkf n THR 48 N -5.40 0.18 -2.31 -0.16 -2.24 -1.12 -4.98 114.28 98.25 3gkf n THR 48 Ca -0.11 -0.37 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 3gkf n THR 48 Cb 0.30 0.11 -0.00 0.00 -2.10 0.00 0.00 70.33 68.63 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 1.31 -0.22 3.22 3.38 0.00 0.92 -4.98 105.19 108.82 3gkf n GLY 49 Ca -0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.76 1.19 -0.02 1.61 1.02 -1.20 -4.80 119.74 112.78 3gkf s LYS 50 Ca 0.01 -1.57 -0.07 0.00 0.02 0.00 0.00 55.97 54.36 3gkf s LYS 50 Cb -0.01 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.59 3gkf s LYS 50 CO 0.02 -0.39 0.16 -0.08 -0.92 0.00 0.00 175.35 174.13 3gkf s THR 51 N -4.13 0.06 -0.27 2.17 -1.32 -0.17 -0.98 115.64 110.99 3gkf s THR 51 Ca 0.36 -0.48 -0.04 0.00 -1.21 0.00 0.00 61.69 60.32 3gkf s THR 51 Cb 0.06 -0.39 0.02 0.00 -1.51 0.00 0.00 72.50 70.68 3gkf s THR 51 CO 0.10 -0.26 0.01 -0.69 -2.21 0.00 0.00 174.62 171.57 3gkf s VAL 52 N -0.95 3.43 -0.17 5.08 1.01 -1.26 -2.44 120.40 125.10 3gkf s VAL 52 Ca -0.10 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 3gkf s VAL 52 Cb -0.06 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3gkf s VAL 52 CO 0.01 0.15 -0.03 -0.32 0.00 0.00 0.00 175.10 174.91 3gkf s MET 53 N 1.42 3.62 -0.55 2.72 0.00 -0.74 -0.50 119.30 125.26 3gkf s MET 53 Ca 0.01 -0.54 -0.16 0.00 0.00 0.00 0.00 55.69 55.01 3gkf s MET 53 Cb -0.17 -2.96 0.13 0.00 0.00 0.00 0.00 34.83 31.84 3gkf s MET 53 CO -0.01 0.14 0.51 -1.17 0.00 0.00 0.00 175.02 174.49 3gkf s LEU 54 N 0.64 6.21 -0.22 4.11 2.96 -0.18 -3.95 118.68 128.24 3gkf s LEU 54 Ca -0.02 -1.83 -0.12 0.00 -0.22 0.00 0.00 54.13 51.94 3gkf s LEU 54 Cb -0.14 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 3gkf s LEU 54 CO 0.02 -0.85 0.23 0.00 -1.32 0.00 0.00 176.35 174.44 3gkf s ALA 55 N 1.54 3.60 -0.35 5.97 0.00 -1.26 -1.55 121.76 129.71 3gkf s ALA 55 Ca 0.04 -0.76 0.13 0.00 0.00 0.00 0.00 51.96 51.37 3gkf s ALA 55 Cb -0.29 -2.40 0.45 0.00 0.00 0.00 0.00 23.12 20.87 3gkf s ALA 55 CO 0.03 -0.19 1.04 1.97 0.00 0.00 0.00 175.76 178.60 3gkf n PHE 56 N 4.27 2.08 1.17 0.00 1.16 0.67 -4.69 117.46 122.11 3gkf n PHE 56 Ca -0.13 -2.79 0.12 0.00 -1.87 0.00 0.00 57.45 52.78 3gkf n PHE 56 Cb 0.52 -0.26 0.23 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 -0.31 1.98 0.24 5.98 5.75 -1.22 -4.49 116.55 124.48 3gkf n ASP 57 Ca 0.22 -1.53 0.17 0.00 -0.01 0.00 0.00 54.79 53.65 3gkf n ASP 57 Cb 0.77 0.15 0.88 0.00 -1.03 0.00 0.00 41.12 41.90 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 2.83 0.00 -0.00 2.11 -0.00 -1.92 0.68 115.15 118.84 3gkf h HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3gkf h HIS 58 Cb 0.72 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.13 3gkf h HIS 58 CO 0.00 0.00 0.35 0.78 -0.00 0.00 0.00 177.93 179.06 3gkf h GLY 59 N 0.00 0.00 1.43 2.45 0.00 -1.79 -1.62 103.07 103.54 3gkf h GLY 59 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3gkf h GLY 59 CO -0.00 0.00 0.22 0.10 0.00 0.00 0.00 176.54 176.86 3gkf h TYR 60 N 0.00 0.73 0.00 5.60 -0.00 -1.15 -1.96 116.97 120.19 3gkf h TYR 60 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.70 3gkf h TYR 60 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 36.73 37.21 3gkf h TYR 60 CO 0.00 0.56 0.00 1.97 -0.00 0.00 0.00 178.16 180.69 3gkf n PHE 61 N -4.36 0.00 0.25 0.10 1.16 -1.10 -4.71 117.46 108.81 3gkf n PHE 61 Ca 0.04 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.65 3gkf n PHE 61 Cb 0.14 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.98 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 -0.13 4.62 0.00 3.97 6.02 -0.63 -1.98 117.38 129.26 3gkf n GLN 62 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3gkf n GLN 62 Cb 0.02 -0.81 0.00 0.00 1.02 0.00 0.00 30.24 30.47 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 1.23 -0.16 3.32 1.08 0.00 -0.76 -4.25 105.19 105.65 3gkf n GLY 63 Ca 0.01 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 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 2.55 -1.00 1.61 -0.02 -1.26 -3.98 135.00 132.89 3gkf n PRO 64 Ca 0.00 -2.75 -0.33 0.00 -2.02 0.00 0.00 63.50 58.40 3gkf n PRO 64 Cb 0.00 -3.42 0.13 0.00 -0.02 0.00 0.00 33.50 30.19 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 6.34 1.44 -1.70 3.45 -1.04 -1.26 -4.66 114.28 116.85 3gkf n THR 65 Ca 0.49 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.90 3gkf n THR 65 Cb 0.44 -1.08 -0.03 0.00 -1.82 0.00 0.00 70.33 67.84 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 -3.46 0.20 0.00 12.58 -1.04 -1.26 -1.24 114.28 120.06 3gkf n THR 66 Ca 0.12 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3gkf n THR 66 Cb 0.51 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.94 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 4.14 2.32 0.89 3.41 0.00 -1.26 -4.79 105.19 109.90 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 3.54 -0.04 0.99 4.77 -0.38 -4.65 117.00 121.24 3gkf n LEU 68 Ca 0.00 -2.38 -0.08 0.00 -0.03 0.00 0.00 56.01 53.52 3gkf n LEU 68 Cb 0.00 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.68 3gkf n LEU 68 CO 0.00 0.73 0.82 -0.33 -1.33 0.00 0.00 177.39 177.28 3gkf h GLU 69 N 2.35 -0.03 -3.20 3.23 3.07 -1.79 -3.34 114.58 114.87 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 1.07 0.01 -0.40 0.00 -0.84 0.00 0.00 28.75 28.58 3gkf h GLU 69 CO 0.10 -0.02 -0.72 1.03 -1.40 0.00 0.00 179.01 178.01 3gkf s ARG 70 N -6.20 1.37 0.27 2.33 1.81 -1.26 -4.95 118.95 112.33 3gkf s ARG 70 Ca -0.14 -2.02 -0.01 0.00 -1.72 0.00 0.00 55.73 51.85 3gkf s ARG 70 Cb 0.11 -2.53 0.49 0.00 -0.45 0.00 0.00 34.95 32.56 3gkf s ARG 70 CO 0.68 -1.12 1.84 0.82 -0.68 0.00 0.00 175.30 176.85 3gkf h ILE 71 N 5.49 0.97 0.00 1.52 1.08 -1.88 -0.60 117.51 124.08 3gkf h ILE 71 Ca -0.04 -0.35 -0.03 0.00 -0.39 0.00 0.00 64.86 64.06 3gkf h ILE 71 Cb 0.93 -0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.54 3gkf h ILE 71 CO 0.52 0.19 -0.12 -2.24 -0.69 0.00 0.00 178.15 175.80 3gkf h ASP 72 N 1.02 0.00 0.00 1.72 2.03 -1.92 -0.69 116.42 118.57 3gkf h ASP 72 Ca 0.46 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.50 3gkf h ASP 72 Cb 0.38 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.84 3gkf h ASP 72 CO -0.24 0.12 -1.82 -0.38 -1.03 0.00 0.00 179.24 175.89 3gkf n ILE 73 N -4.01 1.27 0.04 4.15 5.41 -0.97 -4.09 119.36 121.15 3gkf n ILE 73 Ca -0.02 -0.17 -0.13 0.00 1.00 0.00 0.00 62.75 63.43 3gkf n ILE 73 Cb 0.21 -1.90 -0.08 0.00 -0.71 0.00 0.00 39.64 37.15 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 -0.78 -0.05 0.53 4.38 -1.24 -1.17 -3.36 115.58 113.89 3gkf h ASN 74 Ca -0.40 -0.21 -0.19 0.00 0.71 0.00 0.00 56.30 56.21 3gkf h ASN 74 Cb 1.29 0.01 -0.03 0.00 0.73 0.00 0.00 38.32 40.32 3gkf h ASN 74 CO -0.24 0.18 -1.62 -0.38 -1.29 0.00 0.00 177.43 174.08 3gkf n ILE 75 N -5.01 1.14 -0.21 2.57 2.08 -0.36 -4.38 119.36 115.18 3gkf n ILE 75 Ca -0.08 -0.71 0.02 0.00 0.56 0.00 0.00 62.75 62.54 3gkf n ILE 75 Cb 0.15 -0.66 0.13 0.00 -0.75 0.00 0.00 39.64 38.51 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 1.39 0.77 -0.04 -1.39 0.00 -1.44 0.33 119.26 118.87 3gkf h ALA 76 Ca -0.21 0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 76 Cb 1.66 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3gkf h ALA 76 CO 0.04 -0.32 0.06 -1.35 0.00 0.00 0.00 179.25 177.68 3gkf h PRO 77 N 0.25 0.00 0.00 0.00 0.10 -1.76 -3.03 132.00 127.55 3gkf h PRO 77 Ca 0.34 0.00 -0.01 0.00 0.10 0.00 0.00 66.00 66.43 3gkf h PRO 77 Cb 0.53 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.63 3gkf h PRO 77 CO -0.44 0.00 -0.04 -0.07 0.10 0.00 0.00 178.00 177.55 3gkf h LEU 78 N 0.00 0.00 -0.38 2.35 3.38 -0.57 -3.38 115.31 116.70 3gkf h LEU 78 Ca 0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.01 3gkf h LEU 78 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3gkf h LEU 78 CO -0.00 0.04 0.21 -0.26 0.09 0.00 0.00 178.44 178.51 3gkf h PHE 79 N 0.00 0.39 -0.09 1.13 0.04 -1.53 -2.55 116.94 114.32 3gkf h PHE 79 Ca -0.00 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.81 3gkf h PHE 79 Cb 1.00 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 3gkf h PHE 79 CO 0.00 0.22 0.14 1.05 -0.60 0.00 0.00 178.31 179.12 3gkf h GLU 80 N 0.42 0.00 -0.65 1.51 4.11 -1.83 -0.97 114.58 117.18 3gkf h GLU 80 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3gkf h GLU 80 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3gkf h GLU 80 CO -0.09 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.71 3gkf n HIS 81 N -3.59 1.15 -4.31 2.06 8.25 -0.96 -4.89 115.22 112.94 3gkf n HIS 81 Ca -0.01 -0.49 -0.31 0.00 -0.26 0.00 0.00 57.72 56.65 3gkf n HIS 81 Cb 0.24 -0.13 -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 -1.53 3.04 0.02 -1.41 0.00 -0.37 -4.89 121.76 116.62 3gkf s ALA 82 Ca 0.45 -1.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.10 3gkf s ALA 82 Cb 0.27 -1.04 -0.26 0.00 0.00 0.00 0.00 23.12 22.08 3gkf s ALA 82 CO 0.25 0.64 1.09 -0.44 0.00 0.00 0.00 175.76 177.30 3gkf h ASP 83 N 3.95 0.69 -4.23 0.00 3.32 -1.09 -3.47 116.42 115.59 3gkf h ASP 83 Ca -0.48 -0.80 -0.18 0.00 0.02 0.00 0.00 57.03 55.59 3gkf h ASP 83 Cb 1.17 -0.21 -0.24 0.00 0.22 0.00 0.00 39.33 40.26 3gkf h ASP 83 CO 0.54 1.41 -0.56 0.54 -1.72 0.00 0.00 179.24 179.45 3gkf s VAL 84 N -3.05 0.03 0.04 -1.35 0.11 -1.08 -4.10 120.40 111.00 3gkf s VAL 84 Ca -0.12 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3gkf s VAL 84 Cb 0.04 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.59 3gkf s VAL 84 CO 0.87 -0.15 0.14 -0.76 -3.33 0.00 0.00 175.10 171.86 3gkf s LEU 85 N -0.49 4.09 -0.14 2.54 1.43 0.32 -1.02 118.68 125.41 3gkf s LEU 85 Ca -0.06 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 3gkf s LEU 85 Cb -0.04 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.62 3gkf s LEU 85 CO 0.00 0.21 -0.04 -0.32 0.23 0.00 0.00 176.35 176.44 3gkf s MET 86 N -2.20 1.20 0.35 1.70 -2.45 -0.59 -0.12 119.30 117.18 3gkf s MET 86 Ca 0.29 -0.33 -0.06 0.00 -1.25 0.00 0.00 55.69 54.34 3gkf s MET 86 Cb -0.12 -1.73 0.02 0.00 1.25 0.00 0.00 34.83 34.24 3gkf s MET 86 CO 0.21 -0.40 0.55 0.00 1.05 0.00 0.00 175.02 176.44 3gkf s THR 88 N -2.93 3.62 0.31 0.00 -4.23 -1.26 -1.19 115.64 109.96 3gkf s THR 88 Ca 0.26 0.53 0.11 0.00 -1.18 0.00 0.00 61.69 61.40 3gkf s THR 88 Cb -0.02 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 70.41 3gkf s THR 88 CO 0.17 -0.69 1.70 0.08 -0.54 0.00 0.00 174.62 175.35 3gkf h ARG 89 N -0.71 0.04 -0.04 3.99 0.11 -1.97 -1.13 114.38 114.66 3gkf h ARG 89 Ca -0.45 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 59.60 3gkf h ARG 89 Cb 1.24 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.32 3gkf h ARG 89 CO 0.62 0.53 0.01 0.78 0.10 0.00 0.00 179.97 182.01 3gkf h GLY 90 N 1.48 0.07 0.93 0.08 0.00 -1.96 -1.71 103.07 101.96 3gkf h GLY 90 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3gkf h GLY 90 CO 0.07 0.04 -0.01 -2.22 0.00 0.00 0.00 176.54 174.42 3gkf h ILE 91 N -0.14 1.26 -0.10 2.60 1.08 -1.90 -2.56 117.51 117.74 3gkf h ILE 91 Ca 0.01 -1.02 0.04 0.00 -0.39 0.00 0.00 64.86 63.51 3gkf h ILE 91 Cb 0.22 1.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 3gkf h ILE 91 CO -0.00 0.34 -0.17 0.25 -0.69 0.00 0.00 178.15 177.88 3gkf h LEU 92 N 0.48 -0.52 -0.49 1.44 5.85 -1.12 0.41 115.31 121.36 3gkf h LEU 92 Ca 0.10 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 3gkf h LEU 92 Cb 0.48 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 3gkf h LEU 92 CO 0.02 -0.22 0.07 0.03 -0.34 0.00 0.00 178.44 178.00 3gkf h ARG 93 N -0.23 0.82 -0.08 1.25 3.08 -1.21 -2.69 114.38 115.32 3gkf h ARG 93 Ca 0.09 -0.23 -0.20 0.00 0.07 0.00 0.00 59.98 59.72 3gkf h ARG 93 Cb 0.35 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.32 3gkf h ARG 93 CO -0.24 0.83 -0.71 0.66 -1.07 0.00 0.00 179.97 179.44 3gkf h SER 94 N 0.70 0.77 0.00 7.04 4.64 -1.07 -3.41 113.55 122.21 3gkf h SER 94 Ca 0.15 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3gkf h SER 94 Cb 0.41 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3gkf h SER 94 CO 0.01 1.33 0.00 1.33 -0.87 0.00 0.00 176.83 178.63 3gkf n VAL 95 N -4.06 0.07 -3.60 0.95 0.24 0.10 -4.97 118.33 107.06 3gkf n VAL 95 Ca -0.09 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.34 61.64 3gkf n VAL 95 Cb 0.71 1.49 -0.11 0.00 -1.47 0.00 0.00 33.84 34.46 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 5.19 0.11 3.34 1.01 -1.02 -4.70 120.40 124.26 3gkf s VAL 96 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 61.98 61.76 3gkf s VAL 96 Cb 0.00 -3.49 -0.08 0.00 0.00 0.00 0.00 36.38 32.81 3gkf s VAL 96 CO 0.00 0.23 1.34 -2.84 0.00 0.00 0.00 175.10 173.84 3gkf s PRO 97 N 1.74 4.35 0.38 2.72 0.02 -1.26 -4.74 135.00 138.21 3gkf s PRO 97 Ca 0.07 2.01 0.13 0.00 0.02 0.00 0.00 61.00 63.23 3gkf s PRO 97 Cb -0.16 -3.26 0.93 0.00 0.02 0.00 0.00 34.50 32.03 3gkf s PRO 97 CO 0.10 -0.38 1.85 -1.35 -0.33 0.00 0.00 177.00 176.89 3gkf h PRO 98 N 6.66 0.55 0.00 5.54 0.11 -1.95 0.86 132.00 143.77 3gkf h PRO 98 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3gkf h PRO 98 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gkf h PRO 98 CO 0.85 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 179.00 3gkf n ALA 99 N -2.46 1.56 0.30 -0.75 0.00 -1.26 -2.22 120.51 115.69 3gkf n ALA 99 Ca 0.19 -0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.77 3gkf n ALA 99 Cb 0.59 -1.16 0.94 0.00 0.00 0.00 0.00 19.45 19.82 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 0.00 -6.88 0.00 2.02 -1.20 -3.44 112.91 103.42 3gkf h THR 100 Ca 0.00 0.00 -0.57 0.00 0.77 0.00 0.00 66.41 66.61 3gkf h THR 100 Cb 0.13 0.77 -0.25 0.00 -1.74 0.00 0.00 68.15 67.05 3gkf h THR 100 CO 0.00 0.00 -0.86 -3.20 0.37 0.00 0.00 175.52 171.83 3gkf n ASN 101 N -2.83 -2.70 -4.33 4.18 5.15 -0.94 -4.88 115.26 108.91 3gkf n ASN 101 Ca -0.02 -1.08 -0.28 0.00 -0.60 0.00 0.00 54.58 52.59 3gkf n ASN 101 Cb 0.19 -2.42 -0.14 0.00 -0.53 0.00 0.00 39.78 36.88 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 -7.02 1.51 0.40 1.20 6.06 -1.26 -5.12 118.95 114.73 3gkf s ARG 102 Ca 0.73 -1.14 -0.26 0.00 -2.50 0.00 0.00 55.73 52.55 3gkf s ARG 102 Cb -0.40 -1.77 -0.09 0.00 0.06 0.00 0.00 34.95 32.75 3gkf s ARG 102 CO 0.96 0.44 1.33 -2.14 -2.50 0.00 0.00 175.30 173.39 3gkf s PRO 103 N -1.52 3.97 0.05 5.12 0.02 -1.26 -4.81 135.00 136.57 3gkf s PRO 103 Ca 0.11 2.23 0.09 0.00 0.02 0.00 0.00 61.00 63.44 3gkf s PRO 103 Cb -0.10 -2.79 -0.03 0.00 0.02 0.00 0.00 34.50 31.61 3gkf s PRO 103 CO 0.03 -0.51 -0.25 0.14 -0.33 0.00 0.00 177.00 176.08 3gkf s VAL 104 N -1.23 2.02 -0.36 3.83 -7.23 -1.26 -0.52 120.40 115.64 3gkf s VAL 104 Ca 0.56 -1.36 -0.09 0.00 -1.81 0.00 0.00 61.98 59.29 3gkf s VAL 104 Cb -0.40 -1.74 0.04 0.00 0.56 0.00 0.00 36.38 34.84 3gkf s VAL 104 CO 0.51 0.31 0.16 -0.69 -0.31 0.00 0.00 175.10 175.09 3gkf s VAL 105 N -0.82 4.17 0.12 1.32 1.01 0.83 -0.89 120.40 126.14 3gkf s VAL 105 Ca 0.11 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3gkf s VAL 105 Cb -0.10 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 3gkf s VAL 105 CO 0.02 -0.24 1.14 -0.76 0.00 0.00 0.00 175.10 175.26 3gkf s LEU 106 N 1.47 4.43 -0.22 3.92 1.43 -0.30 -3.21 118.68 126.20 3gkf s LEU 106 Ca 0.00 2.04 -0.29 0.00 -1.03 0.00 0.00 54.13 54.85 3gkf s LEU 106 Cb -0.20 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.44 3gkf s LEU 106 CO 0.04 -0.34 1.08 -0.60 0.23 0.00 0.00 176.35 176.76 3gkf s ARG 107 N 0.35 4.25 -0.08 1.70 6.06 -0.33 -0.39 118.95 130.50 3gkf s ARG 107 Ca 0.54 1.40 0.12 0.00 -2.50 0.00 0.00 55.73 55.29 3gkf s ARG 107 Cb -0.29 -3.66 0.19 0.00 0.06 0.00 0.00 34.95 31.25 3gkf s ARG 107 CO 0.32 -0.65 1.11 0.00 -2.50 0.00 0.00 175.30 173.57 3gkf n ALA 108 N 6.39 2.19 -2.54 6.12 0.00 0.34 -4.51 120.51 128.49 3gkf n ALA 108 Ca 0.12 -2.03 -0.25 0.00 0.00 0.00 0.00 53.44 51.28 3gkf n ALA 108 Cb 0.46 -0.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.17 4.00 0.00 0.00 1.04 -1.20 0.14 113.70 115.51 3gkf s SER 109 Ca 0.21 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3gkf s SER 109 Cb 0.18 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.85 3gkf s SER 109 CO 0.02 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.59 3gkf n GLY 110 N -0.91 -0.61 2.04 7.32 0.00 -0.58 -4.59 105.19 107.86 3gkf n GLY 110 Ca -0.04 -0.64 -0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.64 4.61 0.00 -1.26 -0.33 120.51 120.88 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 -0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.30 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 -2.08 5.04 0.19 0.00 4.22 -1.23 -4.79 114.94 116.29 3gkf s ASN 112 Ca 0.00 -0.52 0.04 0.00 -2.14 0.00 0.00 52.86 50.24 3gkf s ASN 112 Cb 0.00 -1.02 -0.05 0.00 1.28 0.00 0.00 41.25 41.46 3gkf s ASN 112 CO 0.00 -0.15 -0.04 -0.94 -2.04 0.00 0.00 177.10 173.93 3gkf s SER 113 N -3.83 1.70 0.00 3.54 1.04 -1.26 -4.42 113.70 110.46 3gkf s SER 113 Ca 0.35 -1.13 0.22 0.00 0.48 0.00 0.00 55.95 55.87 3gkf s SER 113 Cb -0.06 0.02 1.15 0.00 0.10 0.00 0.00 66.02 67.24 3gkf s SER 113 CO 0.23 -0.45 1.70 2.30 0.98 0.00 0.00 173.24 178.00 3gkf n ILE 114 N -0.30 0.25 1.24 -1.02 -5.35 -0.84 -2.68 119.36 110.66 3gkf n ILE 114 Ca -0.07 0.06 0.13 0.00 -0.27 0.00 0.00 62.75 62.60 3gkf n ILE 114 Cb 0.62 -0.71 0.37 0.00 -1.74 0.00 0.00 39.64 38.19 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 1.03 0.00 7.28 4.77 -1.26 -4.96 117.00 122.65 3gkf n LEU 115 Ca 0.12 -0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 55.81 3gkf n LEU 115 Cb 0.15 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3gkf n LEU 115 CO 0.16 0.19 -0.01 0.00 -1.33 0.00 0.00 177.39 176.40 3gkf n ALA 116 N -0.65 0.09 -1.69 -1.18 0.00 -1.09 -5.10 120.51 110.89 3gkf n ALA 116 Ca 0.12 -0.26 -0.45 0.00 0.00 0.00 0.00 53.44 52.86 3gkf n ALA 116 Cb 0.35 0.21 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.08 2.41 -0.16 0.00 4.07 -1.26 -4.72 120.64 120.89 3gkf n GLU 117 Ca 0.01 0.87 -0.07 0.00 -0.06 0.00 0.00 57.16 57.91 3gkf n GLU 117 Cb 0.08 -2.68 0.09 0.00 -0.06 0.00 0.00 31.44 28.86 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 6.74 0.91 0.00 4.31 5.85 -1.96 -3.08 115.31 128.10 3gkf h LEU 118 Ca -0.45 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.02 3gkf h LEU 118 Cb 1.24 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3gkf h LEU 118 CO 0.92 0.98 0.00 -1.54 -0.34 0.00 0.00 178.44 178.46 3gkf n SER 119 N -4.19 0.00 -4.22 1.25 3.41 -1.26 -4.57 113.62 104.04 3gkf n SER 119 Ca 0.03 -1.22 -0.43 0.00 -0.26 0.00 0.00 58.87 56.99 3gkf n SER 119 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.88 4.73 -4.54 4.04 5.15 -1.16 -4.53 115.26 118.07 3gkf n ASN 120 Ca 0.18 -2.94 -0.27 0.00 -0.60 0.00 0.00 54.58 50.95 3gkf n ASN 120 Cb 0.08 -1.65 -0.10 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 2.83 1.94 0.28 1.20 2.02 -1.26 -3.53 118.70 122.18 3gkf s GLU 121 Ca 0.48 -1.32 0.02 0.00 0.02 0.00 0.00 54.97 54.17 3gkf s GLU 121 Cb 0.06 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 3gkf s GLU 121 CO 0.01 0.43 0.09 0.00 0.02 0.00 0.00 175.26 175.80 3gkf s ALA 122 N -1.67 1.91 0.16 5.21 0.00 0.55 -4.73 121.76 123.18 3gkf s ALA 122 Ca 0.24 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 3gkf s ALA 122 Cb -0.09 0.94 -0.08 0.00 0.00 0.00 0.00 23.12 23.90 3gkf s ALA 122 CO 0.14 -0.42 1.29 0.08 0.00 0.00 0.00 175.76 176.85 3gkf s VAL 123 N -3.63 3.39 -1.93 0.00 1.01 -1.26 -1.52 120.40 116.46 3gkf s VAL 123 Ca 0.37 1.09 0.16 0.00 0.00 0.00 0.00 61.98 63.61 3gkf s VAL 123 Cb 0.08 -3.70 0.19 0.00 0.00 0.00 0.00 36.38 32.95 3gkf s VAL 123 CO 0.14 0.14 1.08 0.00 0.00 0.00 0.00 175.10 176.46 3gkf n ALA 124 N 3.04 2.44 -3.56 5.51 0.00 0.37 -4.82 120.51 123.49 3gkf n ALA 124 Ca 0.07 -0.73 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 3gkf n ALA 124 Cb 0.43 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 19.26 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 -1.30 -0.44 0.44 0.00 0.05 -1.25 -4.92 118.68 111.26 3gkf s LEU 125 Ca 0.22 0.47 -0.22 0.00 0.05 0.00 0.00 54.13 54.65 3gkf s LEU 125 Cb 0.14 2.02 -0.09 0.00 -2.05 0.00 0.00 46.19 46.21 3gkf s LEU 125 CO 0.21 -0.41 1.02 -0.94 -0.55 0.00 0.00 176.35 175.68 3gkf s SER 126 N -1.16 6.62 0.54 1.48 1.04 -1.26 -4.90 113.70 116.06 3gkf s SER 126 Ca -0.04 1.92 0.21 0.00 0.48 0.00 0.00 55.95 58.52 3gkf s SER 126 Cb -0.00 -2.57 1.46 0.00 0.10 0.00 0.00 66.02 65.01 3gkf s SER 126 CO 0.03 -0.59 2.16 -0.03 0.98 0.00 0.00 173.24 175.79 3gkf h MET 127 N 1.98 0.00 -0.31 4.02 4.05 -1.97 0.10 114.93 122.81 3gkf h MET 127 Ca -0.49 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.00 3gkf h MET 127 Cb 1.21 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.94 3gkf h MET 127 CO 0.61 0.00 -0.18 0.22 0.23 0.00 0.00 176.91 177.79 3gkf h ASP 128 N 0.00 -0.60 0.25 1.39 3.58 -1.97 0.11 116.42 119.18 3gkf h ASP 128 Ca 0.03 0.13 -0.18 0.00 0.42 0.00 0.00 57.03 57.43 3gkf h ASP 128 Cb 0.13 0.31 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 3gkf h ASP 128 CO -0.00 -0.22 -0.70 -0.78 -2.88 0.00 0.00 179.24 174.66 3gkf h ASP 129 N -0.14 0.47 -1.00 2.28 3.58 -1.20 -1.04 116.42 119.36 3gkf h ASP 129 Ca 0.16 -0.30 0.05 0.00 0.42 0.00 0.00 57.03 57.36 3gkf h ASP 129 Cb 0.39 -0.14 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 3gkf h ASP 129 CO -0.40 1.02 0.65 0.00 -2.88 0.00 0.00 179.24 177.64 3gkf h ALA 130 N 0.97 1.36 -0.26 -0.78 0.00 -0.77 -0.00 119.26 119.77 3gkf h ALA 130 Ca -0.02 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.66 3gkf h ALA 130 Cb 1.26 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gkf h ALA 130 CO 0.12 0.50 -0.58 0.28 0.00 0.00 0.00 179.25 179.57 3gkf h VAL 131 N 1.23 1.28 -0.11 0.00 2.07 -0.64 -2.16 116.25 117.91 3gkf h VAL 131 Ca 0.41 -1.77 0.03 0.00 0.82 0.00 0.00 66.70 66.20 3gkf h VAL 131 Cb 0.08 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3gkf h VAL 131 CO -0.15 0.57 0.08 -0.09 0.02 0.00 0.00 177.57 178.01 3gkf h ARG 132 N 0.64 0.00 -0.49 1.57 2.43 -0.03 -1.35 114.38 117.15 3gkf h ARG 132 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3gkf h ARG 132 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3gkf h ARG 132 CO 0.13 0.00 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 3gkf n LEU 133 N -4.32 3.04 -3.62 3.80 4.77 -0.13 -4.94 117.00 115.61 3gkf n LEU 133 Ca -0.00 -1.44 -0.23 0.00 -0.03 0.00 0.00 56.01 54.30 3gkf n LEU 133 Cb 0.20 -0.32 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3gkf n LEU 133 CO 0.33 0.72 0.17 -3.20 -1.33 0.00 0.00 177.39 174.08 3gkf n ASN 134 N 1.18 -4.70 -4.79 -1.43 5.15 -0.51 -4.95 115.26 105.20 3gkf n ASN 134 Ca 0.19 -0.62 -0.33 0.00 -0.60 0.00 0.00 54.58 53.22 3gkf n ASN 134 Cb 0.50 -4.81 0.02 0.00 -0.53 0.00 0.00 39.78 34.97 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 -3.65 5.56 0.17 1.20 0.01 -0.84 -4.76 113.70 111.38 3gkf s SER 135 Ca 0.41 1.91 0.22 0.00 1.31 0.00 0.00 55.95 59.81 3gkf s SER 135 Cb -0.19 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 3gkf s SER 135 CO 0.75 -1.32 0.98 0.00 0.41 0.00 0.00 173.24 174.06 3gkf s ALA 137 N -3.36 -1.98 0.07 0.00 0.00 -1.22 -4.14 121.76 111.14 3gkf s ALA 137 Ca -0.01 0.95 0.09 0.00 0.00 0.00 0.00 51.96 52.99 3gkf s ALA 137 Cb 0.10 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3gkf s ALA 137 CO 0.80 -0.82 -0.26 0.14 0.00 0.00 0.00 175.76 175.63 3gkf s VAL 138 N -2.75 2.09 0.02 0.00 -7.23 -0.75 -1.14 120.40 110.63 3gkf s VAL 138 Ca 0.10 -1.49 0.05 0.00 -1.81 0.00 0.00 61.98 58.83 3gkf s VAL 138 Cb 0.00 -1.82 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 3gkf s VAL 138 CO -0.04 0.23 -0.15 0.00 -0.31 0.00 0.00 175.10 174.83 3gkf s ALA 139 N -0.90 1.24 0.11 1.32 0.00 0.48 0.32 121.76 124.32 3gkf s ALA 139 Ca 0.12 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 3gkf s ALA 139 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3gkf s ALA 139 CO 0.03 0.26 0.15 0.00 0.00 0.00 0.00 175.76 176.21 3gkf s ALA 140 N -0.67 0.16 -0.03 0.00 0.00 -0.26 0.13 121.76 121.08 3gkf s ALA 140 Ca 0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.94 3gkf s ALA 140 Cb -0.07 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.62 3gkf s ALA 140 CO 0.01 -0.52 0.29 -0.65 0.00 0.00 0.00 175.76 174.88 3gkf s GLN 141 N -3.94 3.68 0.02 0.00 -1.52 -1.26 -0.30 119.66 116.35 3gkf s GLN 141 Ca 0.12 0.12 0.06 0.00 -1.95 0.00 0.00 55.36 53.71 3gkf s GLN 141 Cb 0.05 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.65 3gkf s GLN 141 CO -0.05 0.71 -0.16 0.54 -0.25 0.00 0.00 175.29 176.07 3gkf s VAL 142 N -1.13 2.96 -0.57 1.09 0.11 0.13 -4.76 120.40 118.23 3gkf s VAL 142 Ca 0.22 -1.07 0.07 0.00 -2.93 0.00 0.00 61.98 58.27 3gkf s VAL 142 Cb -0.14 -2.24 0.25 0.00 -1.53 0.00 0.00 36.38 32.71 3gkf s VAL 142 CO 0.11 0.37 0.68 -1.22 -3.33 0.00 0.00 175.10 171.71 3gkf n TYR 143 N 1.64 2.47 -1.75 1.54 4.01 -1.26 -0.75 117.16 123.06 3gkf n TYR 143 Ca -0.16 -3.98 -0.41 0.00 -0.16 0.00 0.00 57.90 53.18 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 1.02 2.08 0.00 -0.72 2.08 -1.26 -1.88 119.36 120.67 3gkf n ILE 144 Ca 0.27 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.08 3gkf n ILE 144 Cb 0.45 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.51 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 0.57 2.91 3.93 7.39 0.00 -1.26 -4.94 105.19 113.80 3gkf n GLY 145 Ca 0.03 0.00 -0.27 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 -1.91 4.31 0.32 1.61 0.01 -0.79 -4.98 113.70 112.27 3gkf s SER 146 Ca 0.00 0.34 0.01 0.00 1.31 0.00 0.00 55.95 57.61 3gkf s SER 146 Cb 0.00 -0.79 0.53 0.00 0.21 0.00 0.00 66.02 65.97 3gkf s SER 146 CO 0.00 -1.94 1.91 -0.08 0.41 0.00 0.00 173.24 173.53 3gkf h GLU 147 N -0.90 0.77 -0.79 12.44 4.81 -1.94 -2.89 114.58 126.08 3gkf h GLU 147 Ca -0.43 -0.11 -0.50 0.00 -0.13 0.00 0.00 59.36 58.18 3gkf h GLU 147 Cb 1.29 -0.14 -0.28 0.00 0.63 0.00 0.00 28.75 30.26 3gkf h GLU 147 CO 0.53 0.63 0.24 0.66 -0.73 0.00 0.00 179.01 180.34 3gkf n TYR 148 N -4.34 2.57 -0.08 0.92 4.01 -1.26 -4.69 117.16 114.30 3gkf n TYR 148 Ca 0.04 -2.30 0.01 0.00 -0.16 0.00 0.00 57.90 55.49 3gkf n TYR 148 Cb 0.16 -0.89 0.30 0.00 -0.31 0.00 0.00 39.34 38.60 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 1.61 0.70 0.16 -0.72 4.81 -1.65 -1.97 114.58 117.51 3gkf h GLU 149 Ca 0.47 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3gkf h GLU 149 Cb 1.56 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.81 3gkf h GLU 149 CO 1.03 0.57 -0.08 1.25 -0.73 0.00 0.00 179.01 181.05 3gkf h HIS 150 N 0.70 -0.20 -0.91 0.92 2.76 -1.87 -2.43 115.15 114.12 3gkf h HIS 150 Ca 0.17 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.39 3gkf h HIS 150 Cb 0.12 0.07 -0.06 0.00 1.55 0.00 0.00 27.41 29.09 3gkf h HIS 150 CO 0.01 -0.02 0.60 0.37 -1.30 0.00 0.00 177.93 177.58 3gkf h GLN 151 N -0.35 1.06 -0.76 5.26 5.75 -1.90 -1.46 115.11 122.71 3gkf h GLN 151 Ca -0.02 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 3gkf h GLN 151 Cb 0.27 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 3gkf h GLN 151 CO 0.04 0.70 0.42 0.66 -2.65 0.00 0.00 178.83 177.99 3gkf h SER 152 N 1.09 0.95 -0.19 -0.69 4.64 -1.02 0.10 113.55 118.44 3gkf h SER 152 Ca 0.38 -0.10 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 3gkf h SER 152 Cb 0.11 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3gkf h SER 152 CO -0.13 0.78 -0.42 0.40 -0.87 0.00 0.00 176.83 176.59 3gkf h ILE 153 N 1.06 1.33 -0.90 0.95 2.04 -0.96 -2.67 117.51 118.36 3gkf h ILE 153 Ca 0.27 -1.65 0.16 0.00 1.00 0.00 0.00 64.86 64.63 3gkf h ILE 153 Cb 0.04 1.90 -0.10 0.00 -0.74 0.00 0.00 36.82 37.92 3gkf h ILE 153 CO -0.04 0.51 0.49 0.11 0.00 0.00 0.00 178.15 179.22 3gkf h LYS 154 N 0.29 0.66 -0.15 2.37 1.57 -0.90 0.32 116.57 120.72 3gkf h LYS 154 Ca 0.00 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3gkf h LYS 154 Cb 1.02 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 3gkf h LYS 154 CO 0.09 0.44 -0.12 -0.91 -0.57 0.00 0.00 179.45 178.38 3gkf h ASN 155 N 0.68 -0.38 -0.53 0.86 2.35 -0.49 0.15 115.58 118.23 3gkf h ASN 155 Ca 0.49 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 56.34 3gkf h ASN 155 Cb 0.70 0.19 -0.03 0.00 0.05 0.00 0.00 38.32 39.23 3gkf h ASN 155 CO -0.36 -0.16 0.33 0.40 -1.65 0.00 0.00 177.43 176.00 3gkf h ILE 156 N -0.13 1.09 -0.40 2.81 1.08 -0.71 -1.48 117.51 119.77 3gkf h ILE 156 Ca 0.10 -0.23 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 3gkf h ILE 156 Cb 0.27 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 34.34 3gkf h ILE 156 CO -0.23 0.12 0.17 0.40 -0.69 0.00 0.00 178.15 177.92 3gkf h ILE 157 N 0.67 0.93 -0.57 -0.67 2.04 0.22 -1.00 117.51 119.13 3gkf h ILE 157 Ca 0.21 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 3gkf h ILE 157 Cb -0.02 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 3gkf h ILE 157 CO -0.07 0.06 0.13 -0.61 0.00 0.00 0.00 178.15 177.66 3gkf h GLN 158 N 0.36 0.88 -0.22 2.37 4.15 -0.24 -0.37 115.11 122.03 3gkf h GLN 158 Ca 0.18 -0.19 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 3gkf h GLN 158 Cb 0.12 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3gkf h GLN 158 CO -0.15 0.79 -0.40 -0.07 -1.93 0.00 0.00 178.83 177.07 3gkf h LEU 159 N 0.84 0.53 -0.29 -2.39 3.38 -0.54 -2.03 115.31 114.82 3gkf h LEU 159 Ca 0.18 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3gkf h LEU 159 Cb 0.32 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3gkf h LEU 159 CO 0.00 0.88 -0.18 0.58 0.09 0.00 0.00 178.44 179.81 3gkf h VAL 160 N 0.42 1.30 -0.61 1.22 2.07 -0.71 0.33 116.25 120.27 3gkf h VAL 160 Ca 0.04 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.34 3gkf h VAL 160 Cb 0.88 1.52 -0.07 0.00 -1.52 0.00 0.00 31.29 32.11 3gkf h VAL 160 CO 0.08 0.41 0.25 0.44 0.02 0.00 0.00 177.57 178.77 3gkf h ASP 161 N 0.37 0.29 -0.20 0.57 3.32 -0.87 0.75 116.42 120.65 3gkf h ASP 161 Ca 0.06 0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.98 3gkf h ASP 161 Cb 0.72 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.30 3gkf h ASP 161 CO 0.05 0.18 -0.61 0.00 -1.72 0.00 0.00 179.24 177.14 3gkf h ALA 162 N 1.39 0.46 -0.08 3.45 0.00 -1.25 -3.25 119.26 119.99 3gkf h ALA 162 Ca 0.30 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3gkf h ALA 162 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3gkf h ALA 162 CO -0.27 0.69 -0.36 0.78 0.00 0.00 0.00 179.25 180.08 3gkf h GLY 163 N 0.73 0.18 2.00 0.00 0.00 0.55 -2.63 103.07 103.90 3gkf h GLY 163 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 3gkf h GLY 163 CO 0.13 0.14 -0.49 -0.33 0.00 0.00 0.00 176.54 175.99 3gkf h MET 164 N 0.15 0.00 0.00 4.80 2.07 -0.92 0.48 114.93 121.50 3gkf h MET 164 Ca 0.02 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.64 3gkf h MET 164 Cb 0.71 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.44 3gkf h MET 164 CO 0.05 0.49 -0.03 0.87 1.07 0.00 0.00 176.91 179.36 3gkf h LYS 165 N 0.00 0.00 0.00 1.72 1.57 -1.50 -3.36 116.57 115.00 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 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3gkf h LYS 165 CO 0.06 0.03 0.00 1.55 -0.57 0.00 0.00 179.45 180.53 3gkf n VAL 166 N -3.18 0.00 -0.45 0.50 3.14 -0.42 -5.01 118.33 112.90 3gkf n VAL 166 Ca -0.01 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 3gkf n VAL 166 Cb 0.25 1.49 0.00 0.00 -1.06 0.00 0.00 33.84 34.52 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 0.07 0.73 3.49 7.55 0.00 0.15 -4.98 105.19 112.21 3gkf n GLY 167 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.82 3.57 0.58 1.61 0.00 -0.13 -3.91 119.30 120.20 3gkf s MET 168 Ca 0.00 -0.56 -0.18 0.00 0.00 0.00 0.00 55.69 54.94 3gkf s MET 168 Cb 0.00 -3.58 -0.04 0.00 0.00 0.00 0.00 34.83 31.21 3gkf s MET 168 CO 0.00 -0.32 1.13 -2.14 0.00 0.00 0.00 175.02 173.69 3gkf s PRO 169 N 1.67 3.16 -0.07 4.11 0.02 -1.26 -4.40 135.00 138.23 3gkf s PRO 169 Ca 0.06 1.58 0.04 0.00 0.02 0.00 0.00 61.00 62.69 3gkf s PRO 169 Cb -0.16 -1.98 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3gkf s PRO 169 CO 0.08 -1.00 -0.18 0.99 -0.33 0.00 0.00 177.00 176.56 3gkf s THR 170 N -1.90 2.68 -0.22 0.99 2.01 -1.26 -1.81 115.64 116.13 3gkf s THR 170 Ca 0.72 -0.84 -0.06 0.00 0.31 0.00 0.00 61.69 61.82 3gkf s THR 170 Cb -0.24 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 3gkf s THR 170 CO 0.31 0.57 0.03 -0.32 -0.69 0.00 0.00 174.62 174.52 3gkf s MET 171 N -0.25 3.64 -0.22 4.92 1.75 0.15 -0.72 119.30 128.57 3gkf s MET 171 Ca 0.00 -0.50 -0.10 0.00 -1.25 0.00 0.00 55.69 53.85 3gkf s MET 171 Cb -0.13 -3.17 -0.05 0.00 2.84 0.00 0.00 34.83 34.32 3gkf s MET 171 CO 0.03 -0.05 0.13 0.00 -0.65 0.00 0.00 175.02 174.48 3gkf s ALA 172 N 1.20 3.55 -0.14 4.11 0.00 -0.33 -1.11 121.76 129.04 3gkf s ALA 172 Ca 0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.12 3gkf s ALA 172 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 3gkf s ALA 172 CO 0.02 -0.08 -0.01 0.08 0.00 0.00 0.00 175.76 175.78 3gkf s VAL 173 N 0.83 4.19 -0.50 0.00 1.01 0.59 -0.81 120.40 125.71 3gkf s VAL 173 Ca 0.07 -0.26 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 3gkf s VAL 173 Cb -0.13 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.47 3gkf s VAL 173 CO 0.02 0.52 0.78 0.42 0.00 0.00 0.00 175.10 176.84 3gkf s THR 174 N 0.02 4.64 0.09 3.92 -4.23 -0.81 0.18 115.64 119.45 3gkf s THR 174 Ca 0.02 0.08 -0.02 0.00 -1.18 0.00 0.00 61.69 60.59 3gkf s THR 174 Cb -0.13 -4.38 -0.05 0.00 1.34 0.00 0.00 72.50 69.28 3gkf s THR 174 CO 0.02 -0.87 0.27 -0.83 -0.54 0.00 0.00 174.62 172.67 3gkf s GLY 175 N 2.53 2.21 0.00 3.99 0.00 0.07 -4.82 107.32 111.29 3gkf s GLY 175 Ca 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3gkf s GLY 175 CO 0.18 -0.70 0.00 -0.62 0.00 0.00 0.00 173.10 171.96 3gkf n VAL 176 N 0.23 0.00 -2.34 1.40 0.31 -1.26 -4.38 118.33 112.29 3gkf n VAL 176 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.25 3gkf n VAL 176 Cb 0.51 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.67 -4.25 5.55 0.63 -1.26 -5.06 116.66 112.94 3gkf n ARG 182 Ca 0.00 -0.94 -0.28 0.00 -0.92 0.00 0.00 57.85 55.71 3gkf n ARG 182 Cb 0.00 0.42 -0.05 0.00 0.45 0.00 0.00 32.46 33.28 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 4.40 0.13 6.15 -4.77 -1.26 -4.97 116.67 115.45 3gkf s ASP 183 Ca 0.04 -1.35 -0.26 0.00 -3.30 0.00 0.00 52.55 47.69 3gkf s ASP 183 Cb 0.22 0.23 -0.04 0.00 -1.09 0.00 0.00 42.92 42.24 3gkf s ASP 183 CO -0.06 -0.88 1.63 -0.61 0.70 0.00 0.00 175.17 175.95 3gkf h GLN 184 N 1.12 -0.37 -1.00 2.11 -0.00 -1.92 -1.35 115.11 113.70 3gkf h GLN 184 Ca -0.41 0.03 0.21 0.00 -0.00 0.00 0.00 58.65 58.48 3gkf h GLN 184 Cb 1.29 0.08 -0.11 0.00 0.00 0.00 0.00 27.48 28.75 3gkf h GLN 184 CO 0.66 -0.25 0.61 0.07 0.00 0.00 0.00 178.83 179.93 3gkf h ARG 185 N -0.39 0.65 0.36 1.69 0.11 -1.94 0.26 114.38 115.12 3gkf h ARG 185 Ca 0.07 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 3gkf h ARG 185 Cb 0.49 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3gkf h ARG 185 CO -0.26 0.43 -0.17 -0.92 0.10 0.00 0.00 179.97 179.15 3gkf h TYR 186 N 0.67 -0.45 0.00 4.08 3.20 -1.67 -2.31 116.97 120.50 3gkf h TYR 186 Ca 0.59 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.43 3gkf h TYR 186 Cb 1.05 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.46 3gkf h TYR 186 CO -0.00 -0.14 -0.12 0.74 -1.64 0.00 0.00 178.16 177.00 3gkf h PHE 187 N -0.75 0.00 0.11 -3.82 0.04 -0.46 -1.39 116.94 110.67 3gkf h PHE 187 Ca -0.05 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3gkf h PHE 187 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 3gkf h PHE 187 CO 0.01 0.12 -0.05 0.77 -0.60 0.00 0.00 178.31 178.55 3gkf h SER 188 N 0.00 -0.13 0.07 2.17 0.02 -0.39 0.71 113.55 116.00 3gkf h SER 188 Ca -0.00 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3gkf h SER 188 Cb 0.27 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3gkf h SER 188 CO 0.02 -0.02 -0.21 0.25 -1.14 0.00 0.00 176.83 175.72 3gkf h LEU 189 N -0.23 -0.61 -0.06 5.07 5.85 -0.74 -1.44 115.31 123.14 3gkf h LEU 189 Ca -0.02 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3gkf h LEU 189 Cb 0.18 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3gkf h LEU 189 CO 0.03 -0.29 0.04 0.00 -0.34 0.00 0.00 178.44 177.87 3gkf h ALA 190 N 0.45 0.08 -0.46 1.25 0.00 -1.19 -1.07 119.26 118.32 3gkf h ALA 190 Ca 0.04 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3gkf h ALA 190 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3gkf h ALA 190 CO -0.15 -0.43 0.15 1.79 0.00 0.00 0.00 179.25 180.61 3gkf h THR 191 N 0.08 1.22 -0.45 0.00 1.35 -0.82 -2.42 112.91 111.87 3gkf h THR 191 Ca 0.02 -0.73 -0.10 0.00 -0.55 0.00 0.00 66.41 65.06 3gkf h THR 191 Cb -0.00 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.24 3gkf h THR 191 CO -0.00 0.26 -0.09 -0.09 -0.25 0.00 0.00 175.52 175.35 3gkf h ARG 192 N 0.60 0.85 -0.34 4.72 9.65 -1.08 0.97 114.38 129.76 3gkf h ARG 192 Ca 0.15 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3gkf h ARG 192 Cb 0.26 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3gkf h ARG 192 CO -0.01 0.95 0.23 0.82 2.80 0.00 0.00 179.97 184.76 3gkf h ILE 193 N 0.69 1.09 -0.22 1.20 2.04 -1.16 0.14 117.51 121.28 3gkf h ILE 193 Ca 0.12 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3gkf h ILE 193 Cb 0.63 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3gkf h ILE 193 CO 0.04 0.08 0.13 0.00 0.00 0.00 0.00 178.15 178.41 3gkf h ALA 194 N 1.13 0.28 -0.87 1.87 0.00 -0.95 0.15 119.26 120.87 3gkf h ALA 194 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gkf h ALA 194 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3gkf h ALA 194 CO -0.03 -0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.48 3gkf h ALA 195 N 1.04 1.12 -0.51 0.00 0.00 -0.55 -1.91 119.26 118.44 3gkf h ALA 195 Ca 0.08 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 3gkf h ALA 195 Cb 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3gkf h ALA 195 CO -0.01 0.63 -0.11 1.49 0.00 0.00 0.00 179.25 181.25 3gkf h GLU 196 N 1.22 0.95 -0.04 0.00 4.57 -0.18 -1.87 114.58 119.24 3gkf h GLU 196 Ca 0.30 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3gkf h GLU 196 Cb 0.04 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 3gkf h GLU 196 CO -0.05 1.01 -0.02 0.52 -1.18 0.00 0.00 179.01 179.29 3gkf h MET 197 N 0.85 0.05 0.00 1.92 2.86 0.07 -3.45 114.93 117.23 3gkf h MET 197 Ca 0.14 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3gkf h MET 197 Cb 0.65 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.30 3gkf h MET 197 CO 0.05 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.50 3gkf n GLY 198 N -1.41 -0.84 3.74 8.32 0.00 -0.70 -4.93 105.19 109.36 3gkf n GLY 198 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.11 3.76 -0.02 4.61 0.00 -1.01 -4.84 121.76 124.15 3gkf s ALA 199 Ca 0.00 1.50 0.12 0.00 0.00 0.00 0.00 51.96 53.57 3gkf s ALA 199 Cb 0.00 -3.63 -0.15 0.00 0.00 0.00 0.00 23.12 19.34 3gkf s ALA 199 CO 0.00 -0.89 1.08 1.96 0.00 0.00 0.00 175.76 177.91 3gkf h GLN 200 N 5.49 0.00 -5.55 0.00 7.50 -1.26 -3.42 115.11 117.87 3gkf h GLN 200 Ca -0.45 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.10 3gkf h GLN 200 Cb 1.21 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.43 3gkf h GLN 200 CO 0.83 0.65 -0.85 0.42 -1.50 0.00 0.00 178.83 178.39 3gkf s ILE 201 N -2.77 1.60 -0.13 2.54 1.01 -0.65 -3.85 121.20 118.95 3gkf s ILE 201 Ca -0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3gkf s ILE 201 Cb 0.09 -1.36 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3gkf s ILE 201 CO 0.80 0.46 -0.09 -0.63 0.00 0.00 0.00 174.94 175.48 3gkf s ILE 202 N -0.07 3.45 -0.12 2.92 -1.09 -0.37 -1.18 121.20 124.75 3gkf s ILE 202 Ca -0.03 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3gkf s ILE 202 Cb -0.12 -2.47 -0.01 0.00 -1.58 0.00 0.00 42.46 38.29 3gkf s ILE 202 CO 0.02 0.52 -0.16 -0.75 -1.23 0.00 0.00 174.94 173.34 3gkf s LYS 203 N 0.17 3.28 0.30 2.79 2.20 0.01 -0.52 119.74 127.97 3gkf s LYS 203 Ca -0.05 -0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 54.76 3gkf s LYS 203 Cb -0.14 -2.54 0.02 0.00 -1.51 0.00 0.00 37.83 33.66 3gkf s LYS 203 CO 0.04 0.20 0.49 -2.37 -0.36 0.00 0.00 175.35 173.35 3gkf n THR 204 N 3.54 0.00 -3.85 3.43 5.66 0.85 -1.93 114.28 121.98 3gkf n THR 204 Ca -0.18 -1.19 -0.30 0.00 -3.05 0.00 0.00 64.05 59.32 3gkf n THR 204 Cb 0.53 0.85 -0.04 0.00 -1.55 0.00 0.00 70.33 70.12 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 -3.41 3.50 0.46 1.09 2.02 -1.26 0.05 117.35 119.80 3gkf s TYR 205 Ca 0.19 0.32 -0.21 0.00 -0.37 0.00 0.00 57.07 57.00 3gkf s TYR 205 Cb -0.02 -1.82 -0.09 0.00 -0.40 0.00 0.00 41.96 39.63 3gkf s TYR 205 CO 0.14 0.53 1.01 -0.47 -1.57 0.00 0.00 175.55 175.19 3gkf s TYR 206 N -1.59 3.13 -0.05 2.71 5.04 -1.26 -4.94 117.35 120.38 3gkf s TYR 206 Ca 0.37 1.60 0.02 0.00 -2.44 0.00 0.00 57.07 56.61 3gkf s TYR 206 Cb -0.12 -3.00 0.01 0.00 0.35 0.00 0.00 41.96 39.20 3gkf s TYR 206 CO 0.27 -0.57 -0.09 0.08 -1.34 0.00 0.00 175.55 173.90 3gkf s VAL 207 N -2.02 0.88 0.35 3.14 1.01 -1.26 -5.03 120.40 117.46 3gkf s VAL 207 Ca 0.65 -0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.41 3gkf s VAL 207 Cb -0.14 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.50 3gkf s VAL 207 CO 0.18 0.29 1.80 -0.33 0.00 0.00 0.00 175.10 177.04 3gkf h GLU 208 N 6.87 0.00 -4.98 2.72 5.08 -1.97 -3.34 114.58 118.97 3gkf h GLU 208 Ca -0.34 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.37 3gkf h GLU 208 Cb 1.17 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.07 3gkf h GLU 208 CO 0.48 0.40 -0.85 0.21 -1.00 0.00 0.00 179.01 178.24 3gkf s LYS 209 N -4.07 2.84 0.00 2.33 2.20 -1.26 -4.81 119.74 116.98 3gkf s LYS 209 Ca -0.02 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 3gkf s LYS 209 Cb 0.14 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 3gkf s LYS 209 CO 0.72 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 3gkf n GLY 210 N 4.63 0.83 0.38 5.54 0.00 -1.26 -4.39 105.19 110.92 3gkf n GLY 210 Ca -0.20 -0.07 0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 0.55 -0.72 1.61 3.57 -1.88 -1.52 116.94 118.56 3gkf h PHE 211 Ca 0.00 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 3gkf h PHE 211 Cb 0.00 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 3gkf h PHE 211 CO 0.00 0.20 0.40 0.93 -2.23 0.00 0.00 178.31 177.61 3gkf h GLU 212 N 0.46 0.70 -0.57 1.11 5.08 -1.92 -0.54 114.58 118.89 3gkf h GLU 212 Ca 0.40 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.68 3gkf h GLU 212 Cb 0.89 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 3gkf h GLU 212 CO -0.14 0.46 0.21 0.00 -1.00 0.00 0.00 179.01 178.54 3gkf h ARG 213 N 0.72 0.84 0.24 2.33 3.08 -1.66 0.21 114.38 120.14 3gkf h ARG 213 Ca 0.33 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3gkf h ARG 213 Cb 0.24 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3gkf h ARG 213 CO -0.20 0.70 -0.12 0.82 -1.07 0.00 0.00 179.97 180.11 3gkf h ILE 214 N 0.83 0.81 -0.03 2.04 2.04 -1.05 0.07 117.51 122.22 3gkf h ILE 214 Ca 0.19 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3gkf h ILE 214 Cb 0.19 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3gkf h ILE 214 CO -0.01 0.07 -0.09 0.58 0.00 0.00 0.00 178.15 178.70 3gkf h VAL 215 N -0.49 0.77 -0.51 1.67 2.07 -1.02 -2.21 116.25 116.54 3gkf h VAL 215 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3gkf h VAL 215 Cb 0.37 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3gkf h VAL 215 CO 0.05 0.00 0.34 0.00 0.02 0.00 0.00 177.57 177.98 3gkf h ALA 216 N 0.87 1.69 0.00 1.67 0.00 -0.49 -1.45 119.26 121.54 3gkf h ALA 216 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gkf h ALA 216 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3gkf h ALA 216 CO -0.11 0.28 0.00 0.78 0.00 0.00 0.00 179.25 180.20 3gkf h GLY 217 N 0.64 0.00 -5.85 0.00 0.00 -0.78 -3.44 103.07 93.64 3gkf h GLY 217 Ca 0.19 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.94 3gkf h GLY 217 CO -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.39 3gkf n PRO 219 N 4.18 1.21 -4.33 0.00 -0.04 -1.26 -4.89 135.00 129.87 3gkf n PRO 219 Ca -0.06 -0.47 -0.17 0.00 -0.04 0.00 0.00 63.50 62.76 3gkf n PRO 219 Cb 0.51 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.12 0.83 0.38 0.52 -7.23 -1.26 -3.49 120.40 108.03 3gkf s VAL 220 Ca 0.39 -2.01 -0.27 0.00 -1.81 0.00 0.00 61.98 58.28 3gkf s VAL 220 Cb 0.21 -2.50 -0.11 0.00 0.56 0.00 0.00 36.38 34.54 3gkf s VAL 220 CO 0.38 -0.17 1.35 -2.65 -0.31 0.00 0.00 175.10 173.70 3gkf n PRO 221 N -0.46 2.22 -4.78 4.82 -0.02 -1.24 -4.77 135.00 130.77 3gkf n PRO 221 Ca -0.03 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 3gkf n PRO 221 Cb 0.65 -2.45 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.14 3.24 0.03 4.25 1.01 -1.26 -1.23 121.20 126.11 3gkf s ILE 222 Ca 0.57 -0.64 0.08 0.00 0.00 0.00 0.00 60.65 60.66 3gkf s ILE 222 Cb -0.52 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3gkf s ILE 222 CO 0.61 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 175.19 3gkf s VAL 223 N -0.41 1.91 -0.06 2.92 1.01 0.32 0.31 120.40 126.40 3gkf s VAL 223 Ca 0.05 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.78 3gkf s VAL 223 Cb -0.12 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3gkf s VAL 223 CO 0.02 0.33 -0.04 0.27 0.00 0.00 0.00 175.10 175.69 3gkf s ILE 224 N -0.75 3.94 0.26 2.22 -4.36 -0.86 -0.10 121.20 121.55 3gkf s ILE 224 Ca 0.10 -0.44 -0.14 0.00 -0.26 0.00 0.00 60.65 59.91 3gkf s ILE 224 Cb -0.09 -2.65 -0.08 0.00 1.25 0.00 0.00 42.46 40.89 3gkf s ILE 224 CO 0.01 0.57 0.66 0.00 0.24 0.00 0.00 174.94 176.42 3gkf s ALA 225 N -0.87 3.43 0.08 2.27 0.00 0.11 0.16 121.76 126.93 3gkf s ALA 225 Ca 0.14 -0.05 -0.16 0.00 0.00 0.00 0.00 51.96 51.89 3gkf s ALA 225 Cb -0.11 -2.65 -0.13 0.00 0.00 0.00 0.00 23.12 20.22 3gkf s ALA 225 CO 0.03 0.39 1.33 0.78 0.00 0.00 0.00 175.76 178.29 3gkf h GLY 226 N 2.63 0.72 0.00 0.00 0.00 -0.52 -3.40 103.07 102.50 3gkf h GLY 226 Ca -0.48 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 45.97 3gkf h GLY 226 CO 0.66 0.79 0.00 0.61 0.00 0.00 0.00 176.54 178.60 3gkf n GLY 227 N 0.47 -1.51 3.72 4.60 0.00 -1.26 -4.92 105.19 106.28 3gkf n GLY 227 Ca -0.06 -1.42 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 3gkf n GLY 227 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gkf n LYS 228 N 0.00 0.80 -1.73 1.61 2.85 -1.26 -4.50 118.16 115.93 3gkf n LYS 228 Ca 0.00 0.34 -0.42 0.00 -1.05 0.00 0.00 58.31 57.17 3gkf n LYS 228 Cb 0.00 -2.50 -0.01 0.00 -0.65 0.00 0.00 35.03 31.86 3gkf n LYS 228 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3gkf n LYS 229 N -2.37 2.48 -4.44 -1.58 3.00 -1.26 -4.83 118.16 109.15 3gkf n LYS 229 Ca 0.15 0.88 -0.22 0.00 -0.00 0.00 0.00 58.31 59.12 3gkf n LYS 229 Cb 0.49 -2.60 -0.10 0.00 0.00 0.00 0.00 35.03 32.82 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 -0.71 2.50 0.35 3.14 1.43 -1.26 -5.04 118.68 119.09 3gkf s LEU 230 Ca 0.62 -1.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.24 3gkf s LEU 230 Cb -0.53 -0.68 -0.12 0.00 0.03 0.00 0.00 46.19 44.89 3gkf s LEU 230 CO 0.53 -0.33 1.42 -0.81 0.23 0.00 0.00 176.35 177.40 3gkf n PRO 231 N -0.61 2.44 -0.15 1.29 -0.04 -1.26 -4.77 135.00 131.90 3gkf n PRO 231 Ca -0.05 0.86 -0.03 0.00 -0.04 0.00 0.00 63.50 64.24 3gkf n PRO 231 Cb 0.63 -2.53 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 3.08 0.11 -0.88 0.54 3.07 -1.99 0.96 114.58 119.47 3gkf h GLU 232 Ca -0.48 -0.01 0.23 0.00 -0.50 0.00 0.00 59.36 58.61 3gkf h GLU 232 Cb 1.26 -0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 29.00 3gkf h GLU 232 CO 0.66 0.07 0.26 -0.09 -1.40 0.00 0.00 179.01 178.51 3gkf h ARG 233 N 0.11 0.22 -0.12 2.33 1.12 -1.98 0.17 114.38 116.23 3gkf h ARG 233 Ca 0.24 -0.01 -0.21 0.00 -1.11 0.00 0.00 59.98 58.89 3gkf h ARG 233 Cb 0.36 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 3gkf h ARG 233 CO -0.40 0.15 -0.77 0.93 -3.11 0.00 0.00 179.97 176.77 3gkf h GLU 234 N 0.23 0.62 -0.19 0.20 5.08 -1.20 -2.23 114.58 117.09 3gkf h GLU 234 Ca 0.56 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3gkf h GLU 234 Cb 1.12 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3gkf h GLU 234 CO -0.64 1.14 0.09 0.00 -1.00 0.00 0.00 179.01 178.59 3gkf h ALA 235 N 0.72 0.25 -0.83 3.43 0.00 -0.32 -1.38 119.26 121.12 3gkf h ALA 235 Ca -0.05 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.83 3gkf h ALA 235 Cb 1.38 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3gkf h ALA 235 CO 0.15 -0.18 0.52 -0.07 0.00 0.00 0.00 179.25 179.66 3gkf h LEU 236 N 0.17 0.82 -0.64 0.00 3.38 -0.71 0.22 115.31 118.55 3gkf h LEU 236 Ca 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3gkf h LEU 236 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3gkf h LEU 236 CO -0.01 0.53 0.34 -0.08 0.09 0.00 0.00 178.44 179.32 3gkf h GLU 237 N 0.96 0.90 -0.04 1.13 4.22 -1.10 0.50 114.58 121.13 3gkf h GLU 237 Ca 0.36 -0.11 0.02 0.00 0.08 0.00 0.00 59.36 59.71 3gkf h GLU 237 Cb 0.14 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3gkf h GLU 237 CO -0.16 0.69 -0.07 1.98 -2.18 0.00 0.00 179.01 179.26 3gkf h MET 238 N 0.87 -0.10 -0.18 1.92 4.05 -0.11 0.12 114.93 121.49 3gkf h MET 238 Ca 0.22 0.01 0.05 0.00 -0.28 0.00 0.00 59.70 59.70 3gkf h MET 238 Cb 0.06 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 30.81 3gkf h MET 238 CO -0.03 -0.07 -0.42 0.00 0.23 0.00 0.00 176.91 176.62 3gkf h TRP 240 N -0.45 0.70 -0.36 0.00 7.01 0.45 -0.63 115.95 122.66 3gkf h TRP 240 Ca 0.09 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.07 3gkf h TRP 240 Cb 0.61 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 3gkf h TRP 240 CO -0.51 0.23 0.02 1.96 -2.79 0.00 0.00 178.44 177.35 3gkf h GLN 241 N 0.63 0.62 0.15 2.65 1.08 -0.03 0.71 115.11 120.92 3gkf h GLN 241 Ca 0.39 -0.19 -0.01 0.00 -1.45 0.00 0.00 58.65 57.39 3gkf h GLN 241 Cb 0.44 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 3gkf h GLN 241 CO -0.29 0.72 -0.07 0.00 -0.95 0.00 0.00 178.83 178.23 3gkf h ALA 242 N 0.88 -0.20 0.04 3.87 0.00 0.31 -0.67 119.26 123.50 3gkf h ALA 242 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gkf h ALA 242 Cb 0.42 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3gkf h ALA 242 CO 0.01 -0.61 -0.05 0.82 0.00 0.00 0.00 179.25 179.42 3gkf h ILE 243 N -0.20 0.88 -0.62 0.00 1.08 -1.10 -1.07 117.51 116.48 3gkf h ILE 243 Ca -0.02 0.00 0.18 0.00 -0.39 0.00 0.00 64.86 64.63 3gkf h ILE 243 Cb 0.16 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 34.76 3gkf h ILE 243 CO 0.03 0.00 0.45 -0.78 -0.69 0.00 0.00 178.15 177.16 3gkf h ASP 244 N -0.11 0.00 -0.64 1.72 3.58 -0.66 0.69 116.42 120.99 3gkf h ASP 244 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3gkf h ASP 244 Cb 0.11 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.16 3gkf h ASP 244 CO -0.02 0.00 0.00 0.00 -2.88 0.00 0.00 179.24 176.34 3gkf n GLN 245 N -4.32 3.47 0.00 0.28 6.02 -0.27 -4.92 117.38 117.63 3gkf n GLN 245 Ca 0.12 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.39 3gkf n GLN 245 Cb 0.70 -1.82 0.00 0.00 1.02 0.00 0.00 30.24 30.14 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 1.21 1.07 3.78 1.08 0.00 0.23 -4.60 105.19 107.95 3gkf n GLY 246 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 2.68 -0.97 4.61 0.00 -0.48 -4.84 121.76 120.76 3gkf s ALA 247 Ca 0.00 0.77 0.22 0.00 0.00 0.00 0.00 51.96 52.96 3gkf s ALA 247 Cb 0.00 -3.35 0.04 0.00 0.00 0.00 0.00 23.12 19.81 3gkf s ALA 247 CO 0.00 -0.81 1.08 0.43 0.00 0.00 0.00 175.76 176.46 3gkf n SER 248 N -1.43 0.80 -3.67 0.00 7.64 0.15 -4.61 113.62 112.49 3gkf n SER 248 Ca 0.11 -0.69 -0.03 0.00 1.01 0.00 0.00 58.87 59.27 3gkf n SER 248 Cb 0.51 0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 64.44 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 -3.05 -0.32 0.04 0.23 0.00 -1.12 -1.00 107.32 102.10 3gkf s GLY 249 Ca 0.09 0.52 0.05 0.00 0.00 0.00 0.00 44.72 45.38 3gkf s GLY 249 CO 0.81 0.12 -0.14 -1.34 0.00 0.00 0.00 173.10 172.55 3gkf s VAL 250 N -2.97 1.14 -0.27 1.40 -7.23 -1.02 -2.02 120.40 109.43 3gkf s VAL 250 Ca 0.11 -1.02 0.03 0.00 -1.81 0.00 0.00 61.98 59.29 3gkf s VAL 250 Cb 0.00 -1.03 0.06 0.00 0.56 0.00 0.00 36.38 35.97 3gkf s VAL 250 CO -0.02 0.00 -0.10 -0.62 -0.31 0.00 0.00 175.10 174.06 3gkf s ASP 251 N -1.17 4.48 -0.49 4.85 2.15 0.42 -1.79 116.67 125.12 3gkf s ASP 251 Ca 0.02 -1.42 -0.18 0.00 0.43 0.00 0.00 52.55 51.39 3gkf s ASP 251 Cb -0.08 -1.56 0.06 0.00 -0.30 0.00 0.00 42.92 41.04 3gkf s ASP 251 CO 0.01 -0.20 0.54 -0.04 -0.17 0.00 0.00 175.17 175.31 3gkf s MET 252 N 1.10 3.07 0.00 4.34 -1.94 -1.25 0.27 119.30 124.89 3gkf s MET 252 Ca -0.08 -1.04 0.00 0.00 -1.71 0.00 0.00 55.69 52.86 3gkf s MET 252 Cb -0.20 -4.10 0.00 0.00 2.01 0.00 0.00 34.83 32.54 3gkf s MET 252 CO -0.05 -1.14 0.00 0.41 -0.01 0.00 0.00 175.02 174.23 3gkf n GLY 253 N 5.18 1.47 0.34 -0.03 0.00 -1.26 -3.89 105.19 107.01 3gkf n GLY 253 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.09 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 0.60 0.00 1.61 -0.00 -1.89 0.76 114.38 115.46 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 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 29.84 3gkf h ARG 254 CO 0.00 0.39 0.00 0.09 0.00 0.00 0.00 179.97 180.45 3gkf n ASN 255 N -4.87 0.00 0.00 7.04 3.02 -1.26 -1.29 115.26 117.90 3gkf n ASN 255 Ca 0.26 0.36 -0.01 0.00 -0.03 0.00 0.00 54.58 55.15 3gkf n ASN 255 Cb 0.69 -0.39 -0.00 0.00 -0.61 0.00 0.00 39.78 39.47 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 -1.39 0.65 0.31 2.41 5.41 0.26 -4.35 119.36 122.66 3gkf n ILE 256 Ca 0.01 0.24 0.19 0.00 1.00 0.00 0.00 62.75 64.19 3gkf n ILE 256 Cb 0.04 -1.50 1.02 0.00 -0.71 0.00 0.00 39.64 38.48 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 -0.16 0.00 0.00 1.39 -5.15 -1.42 -0.86 116.94 110.74 3gkf h PHE 257 Ca 0.00 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.71 3gkf h PHE 257 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 3gkf h PHE 257 CO -0.07 0.02 -1.05 1.96 -2.00 0.00 0.00 178.31 177.16 3gkf h GLN 258 N 0.00 0.00 -7.07 6.09 4.20 -1.41 -3.47 115.11 113.45 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 0.09 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.02 3gkf h GLN 258 CO 0.00 0.11 0.53 0.45 -0.67 0.00 0.00 178.83 179.25 3gkf n SER 259 N -2.79 2.24 0.25 1.46 2.88 -0.33 -4.88 113.62 112.45 3gkf n SER 259 Ca -0.03 0.88 0.13 0.00 -1.33 0.00 0.00 58.87 58.53 3gkf n SER 259 Cb 0.65 -1.56 0.61 0.00 -0.75 0.00 0.00 64.21 63.17 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 0.86 0.00 -2.25 -3.46 3.32 -1.91 -3.32 116.42 109.66 3gkf h ASP 260 Ca -0.51 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 3gkf h ASP 260 Cb 1.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.47 3gkf h ASP 260 CO 0.54 0.13 -0.73 1.41 -1.72 0.00 0.00 179.24 178.87 3gkf n HIS 261 N -3.34 2.43 0.19 4.55 8.25 -1.26 -4.99 115.22 121.06 3gkf n HIS 261 Ca -0.00 -3.99 -0.15 0.00 -0.26 0.00 0.00 57.72 53.32 3gkf n HIS 261 Cb 0.34 -0.48 -0.07 0.00 1.12 0.00 0.00 29.99 30.90 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 4.33 -0.59 -0.80 -0.41 0.11 -1.78 -2.06 132.00 130.79 3gkf h PRO 262 Ca 0.17 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.36 3gkf h PRO 262 Cb 0.73 0.14 -0.05 0.00 0.11 0.00 0.00 31.00 31.93 3gkf h PRO 262 CO 0.71 -0.40 0.50 0.28 -0.21 0.00 0.00 178.00 178.89 3gkf h VAL 263 N -0.62 1.10 -0.39 3.15 2.07 -1.94 -0.49 116.25 119.13 3gkf h VAL 263 Ca -0.01 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.22 3gkf h VAL 263 Cb 0.57 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 3gkf h VAL 263 CO -0.06 0.18 0.13 0.00 0.02 0.00 0.00 177.57 177.83 3gkf h ALA 264 N 1.35 0.45 -0.34 1.67 0.00 -1.80 -1.90 119.26 118.69 3gkf h ALA 264 Ca 0.33 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3gkf h ALA 264 Cb 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3gkf h ALA 264 CO -0.13 -0.26 0.02 1.98 0.00 0.00 0.00 179.25 180.86 3gkf h MET 265 N 0.28 0.11 -0.75 0.00 -1.53 -0.41 -0.80 114.93 111.85 3gkf h MET 265 Ca 0.18 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.43 3gkf h MET 265 Cb 0.16 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 31.15 3gkf h MET 265 CO -0.19 0.07 0.48 0.52 0.14 0.00 0.00 176.91 177.94 3gkf h MET 266 N 0.12 0.99 -0.37 0.39 2.86 -0.72 0.33 114.93 118.53 3gkf h MET 266 Ca 0.17 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3gkf h MET 266 Cb 0.22 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3gkf h MET 266 CO -0.26 0.68 0.09 0.87 1.06 0.00 0.00 176.91 179.34 3gkf h LYS 267 N 1.01 0.54 0.12 1.72 1.57 -0.90 0.64 116.57 121.27 3gkf h LYS 267 Ca 0.27 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3gkf h LYS 267 Cb -0.09 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 3gkf h LYS 267 CO -0.06 0.50 -0.15 0.00 -0.57 0.00 0.00 179.45 179.18 3gkf h ALA 268 N 1.57 -0.27 -0.70 3.86 0.00 0.95 -1.91 119.26 122.76 3gkf h ALA 268 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3gkf h ALA 268 Cb 0.20 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3gkf h ALA 268 CO -0.00 -0.68 0.23 0.28 0.00 0.00 0.00 179.25 179.08 3gkf h VAL 269 N -0.31 1.26 -0.51 0.00 2.07 0.48 -1.98 116.25 117.26 3gkf h VAL 269 Ca 0.01 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.74 3gkf h VAL 269 Cb 0.31 0.49 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 3gkf h VAL 269 CO -0.06 0.34 0.14 1.56 0.02 0.00 0.00 177.57 179.57 3gkf h GLN 270 N 1.03 0.29 0.25 1.57 4.20 0.37 0.40 115.11 123.21 3gkf h GLN 270 Ca 0.23 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 3gkf h GLN 270 Cb 0.29 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3gkf h GLN 270 CO -0.01 0.19 -0.13 0.00 -0.67 0.00 0.00 178.83 178.21 3gkf h ALA 271 N 1.38 -0.35 -0.40 3.87 0.00 -0.77 0.90 119.26 123.89 3gkf h ALA 271 Ca 0.26 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.12 3gkf h ALA 271 Cb 0.32 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3gkf h ALA 271 CO -0.30 -0.70 0.22 0.28 0.00 0.00 0.00 179.25 178.75 3gkf h VAL 272 N -0.36 1.01 0.36 0.00 2.07 -1.01 0.20 116.25 118.53 3gkf h VAL 272 Ca -0.03 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 3gkf h VAL 272 Cb 0.28 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3gkf h VAL 272 CO 0.04 0.08 -0.17 0.58 0.02 0.00 0.00 177.57 178.12 3gkf h VAL 273 N 0.44 0.00 0.23 2.57 2.07 -0.58 -2.98 116.25 118.00 3gkf h VAL 273 Ca 0.16 -0.44 -0.34 0.00 0.82 0.00 0.00 66.70 66.90 3gkf h VAL 273 Cb 0.04 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.84 3gkf h VAL 273 CO -0.09 0.00 -1.57 0.45 0.02 0.00 0.00 177.57 176.38 3gkf h HIS 274 N -0.92 0.89 -0.01 1.57 -0.00 -0.94 -3.38 115.15 112.35 3gkf h HIS 274 Ca -0.05 -0.65 0.00 0.00 -0.00 0.00 0.00 60.37 59.67 3gkf h HIS 274 Cb 0.37 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 3gkf h HIS 274 CO 0.02 1.60 -0.72 0.72 -0.00 0.00 0.00 177.93 179.55 3gkf n HIS 275 N -3.67 0.00 -0.92 2.45 8.25 -0.54 -4.97 115.22 115.82 3gkf n HIS 275 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 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 -0.73 -0.23 -4.50 0.41 3.02 0.60 -4.95 115.26 108.88 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 0.39 -0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.55 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 -2.08 0.70 -2.00 3.52 -0.58 -0.94 -4.91 120.64 114.35 3gkf n GLU 277 Ca 0.00 0.26 -0.32 0.00 -0.42 0.00 0.00 57.16 56.68 3gkf n GLU 277 Cb 0.00 -1.74 0.01 0.00 -0.57 0.00 0.00 31.44 29.14 3gkf n GLU 277 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3gkf s THR 278 N -1.55 3.88 0.23 2.62 -1.32 -1.26 -4.42 115.64 113.82 3gkf s THR 278 Ca 0.67 0.85 -0.09 0.00 -1.21 0.00 0.00 61.69 61.91 3gkf s THR 278 Cb -0.51 -3.40 0.25 0.00 -1.51 0.00 0.00 72.50 67.33 3gkf s THR 278 CO 0.55 -0.56 1.64 0.00 -2.21 0.00 0.00 174.62 174.05 3gkf h ALA 279 N 0.32 0.69 0.43 11.08 0.00 -1.91 -0.92 119.26 128.94 3gkf h ALA 279 Ca -0.46 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3gkf h ALA 279 Cb 1.22 0.39 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3gkf h ALA 279 CO 0.58 -0.41 -0.20 -0.44 0.00 0.00 0.00 179.25 178.77 3gkf h ASP 280 N 0.10 -0.48 -0.40 0.00 5.19 -1.97 0.22 116.42 119.09 3gkf h ASP 280 Ca 0.37 -0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.84 3gkf h ASP 280 Cb 0.63 0.13 -0.08 0.00 0.18 0.00 0.00 39.33 40.19 3gkf h ASP 280 CO -0.61 -0.29 -0.11 0.03 -3.12 0.00 0.00 179.24 175.13 3gkf h ARG 281 N -0.65 -0.02 -0.25 3.56 3.08 -1.87 0.42 114.38 118.66 3gkf h ARG 281 Ca -0.06 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 281 Cb 0.48 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 3gkf h ARG 281 CO 0.10 -0.01 -0.44 0.00 -1.07 0.00 0.00 179.97 178.54 3gkf h ALA 282 N 1.36 -0.57 -0.83 0.04 0.00 -0.62 0.66 119.26 119.31 3gkf h ALA 282 Ca 0.19 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.25 3gkf h ALA 282 Cb 0.31 0.86 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3gkf h ALA 282 CO -0.42 -0.92 0.43 -0.92 0.00 0.00 0.00 179.25 177.42 3gkf h TYR 283 N -0.43 0.76 -0.09 0.00 3.20 0.43 -0.10 116.97 120.74 3gkf h TYR 283 Ca 0.10 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3gkf h TYR 283 Cb 0.61 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3gkf h TYR 283 CO -0.56 0.20 0.02 0.93 -1.64 0.00 0.00 178.16 177.11 3gkf h GLU 284 N 0.64 0.05 0.00 1.82 5.08 0.12 0.40 114.58 122.70 3gkf h GLU 284 Ca 0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3gkf h GLU 284 Cb 0.59 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3gkf h GLU 284 CO -0.34 0.04 0.00 1.37 -1.00 0.00 0.00 179.01 179.07 3gkf h LEU 285 N 0.06 0.00 0.35 1.33 -0.00 -0.68 0.53 115.31 116.90 3gkf h LEU 285 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 3gkf h LEU 285 Cb 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 3gkf h LEU 285 CO -0.05 0.00 -0.40 0.22 -0.00 0.00 0.00 178.44 178.21 3gkf h TYR 286 N 0.00 -1.08 -0.77 0.17 3.20 0.16 0.11 116.97 118.77 3gkf h TYR 286 Ca 0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 3gkf h TYR 286 Cb 0.32 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 38.98 3gkf h TYR 286 CO 0.00 -0.54 0.28 -0.07 -1.64 0.00 0.00 178.16 176.19 3gkf h LEU 287 N -0.78 1.08 -0.54 2.82 3.38 -0.21 -2.70 115.31 118.36 3gkf h LEU 287 Ca -0.02 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 57.86 3gkf h LEU 287 Cb 0.71 -0.28 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 3gkf h LEU 287 CO -0.09 0.98 -0.23 -1.28 0.09 0.00 0.00 178.44 177.91 3gkf h SER 288 N 1.12 -0.80 1.08 -0.43 0.87 0.26 -2.89 113.55 112.77 3gkf h SER 288 Ca 0.25 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 3gkf h SER 288 Cb 0.26 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3gkf h SER 288 CO -0.02 -0.25 0.00 -0.62 -0.53 0.00 0.00 176.83 175.41 3gkf n GLU 289 N -5.42 0.17 0.00 2.24 -0.58 0.37 -5.06 120.64 112.36 3gkf n GLU 289 Ca 0.05 0.24 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 3gkf n GLU 289 Cb 0.33 -1.74 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28