#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 2.82 -0.26 1.61 1.02 -1.26 -5.12 119.74 118.56 3gkf s LYS 11 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.48 3gkf s LYS 11 Cb 0.00 -2.68 0.05 0.00 -0.52 0.00 0.00 37.83 34.69 3gkf s LYS 11 CO 0.00 0.66 -0.09 0.34 -0.92 0.00 0.00 175.35 175.34 3gkf s ASP 12 N -1.08 4.43 0.00 2.83 2.15 -1.26 -4.95 116.67 118.79 3gkf s ASP 12 Ca 0.15 -1.29 0.27 0.00 0.43 0.00 0.00 52.55 52.11 3gkf s ASP 12 Cb -0.11 -1.58 0.80 0.00 -0.30 0.00 0.00 42.92 41.73 3gkf s ASP 12 CO 0.04 -0.19 1.60 0.49 -0.17 0.00 0.00 175.17 176.95 3gkf n PHE 13 N 4.49 0.00 -3.81 -5.34 3.72 -1.26 -4.95 117.46 110.31 3gkf n PHE 13 Ca -0.14 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 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.41 -2.01 0.28 -1.08 3.00 -1.26 -4.81 116.66 111.19 3gkf n ARG 14 Ca 0.17 0.41 0.15 0.00 -0.00 0.00 0.00 57.85 58.58 3gkf n ARG 14 Cb 0.42 -4.17 0.81 0.00 0.00 0.00 0.00 32.46 29.51 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 -1.93 0.43 0.00 5.15 1.35 -2.02 -2.03 112.91 113.86 3gkf h THR 15 Ca -0.66 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3gkf h THR 15 Cb 1.37 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3gkf h THR 15 CO 0.54 0.08 0.00 -2.24 -0.25 0.00 0.00 175.52 173.65 3gkf h ASP 16 N 0.00 0.00 -3.78 5.36 2.03 -2.04 -3.41 116.42 114.59 3gkf h ASP 16 Ca -0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.65 3gkf h ASP 16 Cb 0.27 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 38.39 3gkf h ASP 16 CO 0.01 0.00 -0.79 -1.58 -1.03 0.00 0.00 179.24 175.85 3gkf s GLN 17 N -3.26 1.97 0.02 4.15 0.74 -0.76 -5.10 119.66 117.42 3gkf s GLN 17 Ca 0.07 -1.33 -0.22 0.00 0.05 0.00 0.00 55.36 53.93 3gkf s GLN 17 Cb 0.10 -2.84 -0.06 0.00 1.10 0.00 0.00 33.01 31.31 3gkf s GLN 17 CO 0.49 -0.63 0.65 -1.25 -0.55 0.00 0.00 175.29 174.00 3gkf s PRO 18 N 1.15 4.37 0.24 1.67 0.04 -1.26 -4.93 135.00 136.29 3gkf s PRO 18 Ca -0.05 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.52 3gkf s PRO 18 Cb -0.20 -3.34 -0.13 0.00 0.04 0.00 0.00 34.50 30.88 3gkf s PRO 18 CO -0.06 0.38 1.40 0.94 0.04 0.00 0.00 177.00 179.70 3gkf n GLN 19 N 2.61 2.03 -4.42 4.56 7.27 -1.26 -4.99 117.38 123.17 3gkf n GLN 19 Ca -0.06 0.72 -0.21 0.00 0.07 0.00 0.00 57.00 57.53 3gkf n GLN 19 Cb 0.51 -2.38 -0.14 0.00 2.41 0.00 0.00 30.24 30.64 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 -0.45 0.98 -0.10 3.69 2.20 -1.26 -5.13 119.74 119.67 3gkf s LYS 20 Ca 0.68 -0.69 -0.26 0.00 -0.36 0.00 0.00 55.97 55.34 3gkf s LYS 20 Cb -0.65 -0.98 -0.02 0.00 -1.51 0.00 0.00 37.83 34.67 3gkf s LYS 20 CO 0.50 0.25 0.86 -0.80 -0.36 0.00 0.00 175.35 175.80 3gkf s ASN 21 N -0.93 7.09 -0.10 1.43 0.01 -1.26 -5.02 114.94 116.16 3gkf s ASN 21 Ca 0.03 1.33 -0.30 0.00 -0.71 0.00 0.00 52.86 53.21 3gkf s ASN 21 Cb -0.07 -2.48 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 3gkf s ASN 21 CO 0.01 -0.31 1.30 -0.63 -1.51 0.00 0.00 177.10 175.96 3gkf s ILE 22 N 1.56 4.14 0.65 0.60 1.09 -1.26 -5.00 121.20 122.98 3gkf s ILE 22 Ca 0.42 1.42 -0.18 0.00 -1.10 0.00 0.00 60.65 61.22 3gkf s ILE 22 Cb -0.18 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.29 3gkf s ILE 22 CO 0.18 -0.08 1.25 -2.84 -0.10 0.00 0.00 174.94 173.35 3gkf s PRO 23 N 3.04 2.58 -0.30 2.79 0.02 -1.26 -5.02 135.00 136.86 3gkf s PRO 23 Ca 0.58 1.93 -0.06 0.00 0.02 0.00 0.00 61.00 63.47 3gkf s PRO 23 Cb -0.25 -1.87 0.02 0.00 0.02 0.00 0.00 34.50 32.43 3gkf s PRO 23 CO 0.19 -1.54 0.06 0.12 -0.33 0.00 0.00 177.00 175.51 3gkf s PHE 24 N -1.58 3.16 -0.53 6.54 5.36 -1.26 -5.00 117.98 124.67 3gkf s PHE 24 Ca 0.79 -1.20 0.23 0.00 -0.96 0.00 0.00 56.93 55.79 3gkf s PHE 24 Cb -0.34 -2.22 -0.03 0.00 -0.34 0.00 0.00 43.02 40.09 3gkf s PHE 24 CO 0.39 -0.64 0.94 0.25 -1.46 0.00 0.00 175.22 174.70 3gkf n THR 25 N 4.82 0.17 -1.53 0.12 -2.24 -1.26 -4.56 114.28 109.79 3gkf n THR 25 Ca -0.14 -0.28 -0.51 0.00 -2.27 0.00 0.00 64.05 60.84 3gkf n THR 25 Cb 0.47 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.02 0.65 -4.66 3.22 7.94 -1.26 -4.72 117.00 116.15 3gkf n LEU 26 Ca 0.01 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 3gkf n LEU 26 Cb 0.46 -1.09 -0.03 0.00 0.53 0.00 0.00 43.42 43.29 3gkf n LEU 26 CO 0.41 -1.74 1.45 -0.75 -1.11 0.00 0.00 177.39 175.65 3gkf s LYS 27 N -0.35 4.13 -0.06 1.96 2.20 -1.26 -2.22 119.74 124.14 3gkf s LYS 27 Ca 0.77 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 3gkf s LYS 27 Cb -0.98 -4.05 0.00 0.00 -1.51 0.00 0.00 37.83 31.29 3gkf s LYS 27 CO 0.54 -0.92 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 3gkf n GLY 28 N 4.31 0.38 0.80 5.54 0.00 -1.22 -3.63 105.19 111.38 3gkf n GLY 28 Ca 0.18 -0.06 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 -1.02 -1.39 1.96 0.00 0.00 -1.26 -3.83 105.19 99.65 3gkf n GLY 30 Ca 0.25 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.40 4.89 -2.58 4.61 0.00 -1.26 -4.95 120.51 119.81 3gkf n ALA 31 Ca 0.10 -3.74 -0.30 0.00 0.00 0.00 0.00 53.44 49.50 3gkf n ALA 31 Cb 0.30 -0.33 -0.10 0.00 0.00 0.00 0.00 19.45 19.32 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.58 3.06 0.95 0.00 1.43 -1.25 -5.10 118.68 114.19 3gkf s LEU 32 Ca 0.50 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 53.15 3gkf s LEU 32 Cb 0.41 -1.84 0.17 0.00 0.03 0.00 0.00 46.19 44.96 3gkf s LEU 32 CO 0.03 0.20 1.13 -0.62 0.23 0.00 0.00 176.35 177.32 3gkf s ASP 33 N -2.07 2.58 0.16 2.29 2.15 -1.26 -4.65 116.67 115.87 3gkf s ASP 33 Ca 0.21 2.11 -0.16 0.00 0.43 0.00 0.00 52.55 55.14 3gkf s ASP 33 Cb -0.11 -2.54 0.09 0.00 -0.30 0.00 0.00 42.92 40.06 3gkf s ASP 33 CO 0.13 -3.31 1.70 -0.25 -0.17 0.00 0.00 175.17 173.27 3gkf h TRP 34 N -2.01 -0.03 -0.33 -5.34 7.01 -1.99 -0.91 115.95 112.35 3gkf h TRP 34 Ca -0.46 0.03 0.04 0.00 2.11 0.00 0.00 58.89 60.61 3gkf h TRP 34 Cb 1.28 0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 28.37 3gkf h TRP 34 CO 0.47 -0.08 0.10 0.78 -2.79 0.00 0.00 178.44 176.92 3gkf h GLY 35 N 0.10 0.40 0.85 2.65 0.00 -1.92 0.37 103.07 105.51 3gkf h GLY 35 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 3gkf h GLY 35 CO -0.31 0.02 -0.02 1.98 0.00 0.00 0.00 176.54 178.21 3gkf h MET 36 N 0.23 0.45 -0.40 4.80 1.85 -1.53 -0.32 114.93 120.01 3gkf h MET 36 Ca 0.15 -0.15 0.06 0.00 -0.61 0.00 0.00 59.70 59.15 3gkf h MET 36 Cb 0.13 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.11 3gkf h MET 36 CO -0.17 0.63 0.27 1.96 -0.40 0.00 0.00 176.91 179.21 3gkf h GLN 37 N 0.21 0.28 -0.10 0.39 4.20 -0.77 -1.47 115.11 117.86 3gkf h GLN 37 Ca 0.07 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3gkf h GLN 37 Cb 0.44 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 3gkf h GLN 37 CO 0.02 0.18 -0.04 1.03 -0.67 0.00 0.00 178.83 179.35 3gkf h SER 38 N 0.29 0.20 -0.45 1.46 0.87 0.62 -1.00 113.55 115.53 3gkf h SER 38 Ca 0.17 -0.40 0.01 0.00 -1.23 0.00 0.00 61.79 60.34 3gkf h SER 38 Cb 0.33 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 3gkf h SER 38 CO -0.04 0.55 0.29 0.03 -0.53 0.00 0.00 176.83 177.14 3gkf h ARG 39 N -0.16 0.58 -0.14 2.24 3.08 -0.56 -1.17 114.38 118.27 3gkf h ARG 39 Ca 0.02 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3gkf h ARG 39 Cb 0.47 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.38 3gkf h ARG 39 CO 0.01 0.39 -0.01 -0.07 -1.07 0.00 0.00 179.97 179.21 3gkf h LEU 40 N 0.60 0.17 -1.05 3.04 3.38 -1.26 -1.12 115.31 119.08 3gkf h LEU 40 Ca 0.17 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3gkf h LEU 40 Cb -0.05 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3gkf h LEU 40 CO -0.05 0.23 -0.38 0.28 0.09 0.00 0.00 178.44 178.62 3gkf h SER 41 N 0.19 0.00 -0.61 -0.43 0.02 -0.03 0.46 113.55 113.15 3gkf h SER 41 Ca 0.05 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 3gkf h SER 41 Cb 0.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3gkf h SER 41 CO 0.00 0.38 -0.00 0.03 -1.14 0.00 0.00 176.83 176.10 3gkf h ARG 42 N 0.00 1.08 0.10 3.45 3.08 -0.14 -3.33 114.38 118.62 3gkf h ARG 42 Ca -0.00 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 3gkf h ARG 42 Cb 0.84 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.79 3gkf h ARG 42 CO 0.05 1.05 -0.05 0.82 -1.07 0.00 0.00 179.97 180.77 3gkf h ILE 43 N 0.98 0.92 -3.64 2.04 2.04 -1.18 -3.45 117.51 115.21 3gkf h ILE 43 Ca 0.17 -1.36 -0.63 0.00 1.00 0.00 0.00 64.86 64.04 3gkf h ILE 43 Cb 0.57 1.61 -0.17 0.00 -0.74 0.00 0.00 36.82 38.09 3gkf h ILE 43 CO 0.03 0.27 -0.54 -0.36 0.00 0.00 0.00 178.15 177.55 3gkf s PHE 44 N -2.89 3.24 0.16 1.37 0.08 0.12 -4.54 117.98 115.52 3gkf s PHE 44 Ca -0.12 0.06 -0.31 0.00 0.12 0.00 0.00 56.93 56.68 3gkf s PHE 44 Cb -0.00 -2.27 -0.11 0.00 -0.57 0.00 0.00 43.02 40.07 3gkf s PHE 44 CO 0.45 -0.06 1.74 1.21 -0.10 0.00 0.00 175.22 178.46 3gkf s ASN 45 N 1.26 6.44 0.20 1.36 3.84 0.39 -4.47 114.94 123.95 3gkf s ASN 45 Ca 0.06 2.76 -0.10 0.00 0.21 0.00 0.00 52.86 55.79 3gkf s ASN 45 Cb -0.14 -2.58 0.12 0.00 -0.55 0.00 0.00 41.25 38.10 3gkf s ASN 45 CO 0.06 -0.96 1.80 -0.65 -2.79 0.00 0.00 177.10 174.55 3gkf h PRO 46 N 7.62 0.99 0.41 0.43 0.11 -1.90 3.13 132.00 142.79 3gkf h PRO 46 Ca -0.44 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 3gkf h PRO 46 Cb 1.21 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3gkf h PRO 46 CO 0.95 0.76 -0.28 0.87 -0.21 0.00 0.00 178.00 180.09 3gkf h LYS 47 N 0.97 -0.64 0.00 1.05 1.79 -1.98 -3.31 116.57 114.45 3gkf h LYS 47 Ca 0.24 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 3gkf h LYS 47 Cb 0.08 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 3gkf h LYS 47 CO -0.04 -0.43 -1.31 0.25 -1.08 0.00 0.00 179.45 176.85 3gkf n THR 48 N -5.41 0.06 -2.07 -0.16 -2.24 -1.15 -4.98 114.28 98.33 3gkf n THR 48 Ca -0.10 -0.23 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 3gkf n THR 48 Cb 0.31 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.38 0.14 3.21 3.38 0.00 1.04 -4.96 105.19 109.37 3gkf n GLY 49 Ca 0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.33 1.24 -0.03 1.61 1.02 -1.18 -4.75 119.74 113.31 3gkf s LYS 50 Ca 0.00 -1.66 -0.09 0.00 0.02 0.00 0.00 55.97 54.24 3gkf s LYS 50 Cb 0.00 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.59 3gkf s LYS 50 CO 0.00 -0.41 0.20 -0.08 -0.92 0.00 0.00 175.35 174.15 3gkf s THR 51 N -4.10 0.05 -0.27 2.17 -1.32 -0.13 -0.46 115.64 111.57 3gkf s THR 51 Ca 0.39 -0.38 -0.06 0.00 -1.21 0.00 0.00 61.69 60.43 3gkf s THR 51 Cb 0.07 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.64 3gkf s THR 51 CO 0.13 -0.21 0.05 -0.69 -2.21 0.00 0.00 174.62 171.69 3gkf s VAL 52 N -0.79 3.85 -0.16 5.08 1.01 -1.26 -2.33 120.40 125.80 3gkf s VAL 52 Ca -0.09 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3gkf s VAL 52 Cb -0.05 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.38 3gkf s VAL 52 CO 0.02 0.17 -0.05 -0.32 0.00 0.00 0.00 175.10 174.92 3gkf s MET 53 N 1.50 3.59 -0.50 2.72 0.00 -0.57 -0.67 119.30 125.38 3gkf s MET 53 Ca 0.03 -0.55 -0.13 0.00 0.00 0.00 0.00 55.69 55.04 3gkf s MET 53 Cb -0.16 -2.90 0.12 0.00 0.00 0.00 0.00 34.83 31.89 3gkf s MET 53 CO 0.01 0.17 0.42 -1.17 0.00 0.00 0.00 175.02 174.45 3gkf s LEU 54 N 0.54 5.92 -0.24 4.11 2.96 -0.09 -3.94 118.68 127.94 3gkf s LEU 54 Ca -0.04 -1.83 -0.11 0.00 -0.22 0.00 0.00 54.13 51.93 3gkf s LEU 54 Cb -0.15 -2.11 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3gkf s LEU 54 CO 0.03 -0.77 0.18 0.00 -1.32 0.00 0.00 176.35 174.47 3gkf s ALA 55 N 1.48 3.60 -0.38 5.97 0.00 -1.26 -1.51 121.76 129.66 3gkf s ALA 55 Ca 0.04 -0.89 0.11 0.00 0.00 0.00 0.00 51.96 51.22 3gkf s ALA 55 Cb -0.28 -2.37 0.44 0.00 0.00 0.00 0.00 23.12 20.91 3gkf s ALA 55 CO 0.01 -0.25 1.04 1.97 0.00 0.00 0.00 175.76 178.54 3gkf n PHE 56 N 4.40 2.43 0.97 0.00 1.16 0.63 -4.70 117.46 122.35 3gkf n PHE 56 Ca -0.14 -2.96 0.11 0.00 -1.87 0.00 0.00 57.45 52.59 3gkf n PHE 56 Cb 0.52 -0.21 0.05 0.00 -1.61 0.00 0.00 39.48 38.23 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 2.51 0.25 5.98 5.75 -1.23 -4.46 116.55 125.03 3gkf n ASP 57 Ca 0.26 -1.76 0.18 0.00 -0.01 0.00 0.00 54.79 53.46 3gkf n ASP 57 Cb 0.73 0.21 0.89 0.00 -1.03 0.00 0.00 41.12 41.93 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 3.58 0.00 0.00 2.11 -0.00 -1.92 -0.20 115.15 118.72 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 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.27 3gkf h HIS 58 CO 0.00 0.00 0.28 0.78 -0.00 0.00 0.00 177.93 178.99 3gkf h GLY 59 N 0.00 0.00 1.53 2.45 0.00 -1.78 -1.59 103.07 103.68 3gkf h GLY 59 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 3gkf h GLY 59 CO -0.00 0.00 0.15 0.10 0.00 0.00 0.00 176.54 176.79 3gkf h TYR 60 N 0.00 0.61 0.00 5.60 -0.00 -1.32 -1.91 116.97 119.95 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 0.57 -0.19 0.00 0.00 0.00 0.00 0.00 36.73 37.11 3gkf h TYR 60 CO 0.00 0.49 0.00 1.97 -0.00 0.00 0.00 178.16 180.62 3gkf n PHE 61 N -4.36 0.00 0.35 0.10 1.16 -1.07 -4.69 117.46 108.94 3gkf n PHE 61 Ca 0.03 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.65 3gkf n PHE 61 Cb 0.16 0.00 -0.05 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 -0.47 3.65 0.00 3.97 6.02 -0.62 -2.00 117.38 127.93 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 0.01 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 1.31 -0.38 3.34 1.08 0.00 -0.74 -4.28 105.19 105.52 3gkf n GLY 63 Ca 0.01 -1.07 -0.40 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 2.65 -1.12 1.61 -0.02 -1.26 -3.97 135.00 132.89 3gkf n PRO 64 Ca 0.00 -2.83 -0.34 0.00 -2.02 0.00 0.00 63.50 58.31 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 6.33 2.03 -1.69 3.45 -1.04 -1.26 -4.65 114.28 117.46 3gkf n THR 65 Ca 0.49 -0.23 -0.44 0.00 -2.04 0.00 0.00 64.05 61.83 3gkf n THR 65 Cb 0.44 -1.16 -0.04 0.00 -1.82 0.00 0.00 70.33 67.76 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 -3.22 0.16 0.00 12.58 -1.04 -1.26 -0.95 114.28 120.55 3gkf n THR 66 Ca 0.13 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3gkf n THR 66 Cb 0.50 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 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 3.89 2.53 0.76 3.41 0.00 -1.26 -4.79 105.19 109.73 3gkf n GLY 67 Ca 0.18 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 3.27 -0.04 0.99 4.77 -0.13 -4.65 117.00 121.21 3gkf n LEU 68 Ca 0.00 -2.26 -0.08 0.00 -0.03 0.00 0.00 56.01 53.64 3gkf n LEU 68 Cb 0.00 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 3gkf n LEU 68 CO 0.00 0.73 0.71 -0.33 -1.33 0.00 0.00 177.39 177.17 3gkf h GLU 69 N 2.13 -0.23 -3.12 3.23 3.07 -1.78 -3.33 114.58 114.55 3gkf h GLU 69 Ca 0.00 0.02 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 0.94 0.05 -0.40 0.00 -0.84 0.00 0.00 28.75 28.50 3gkf h GLU 69 CO 0.06 -0.15 -0.70 1.03 -1.40 0.00 0.00 179.01 177.85 3gkf s ARG 70 N -6.09 1.56 0.28 2.33 1.81 -1.26 -4.93 118.95 112.64 3gkf s ARG 70 Ca -0.15 -2.26 0.00 0.00 -1.72 0.00 0.00 55.73 51.60 3gkf s ARG 70 Cb 0.12 -2.70 0.51 0.00 -0.45 0.00 0.00 34.95 32.43 3gkf s ARG 70 CO 0.68 -1.15 1.84 0.82 -0.68 0.00 0.00 175.30 176.81 3gkf h ILE 71 N 5.30 0.95 0.00 1.52 1.08 -1.88 -0.81 117.51 123.67 3gkf h ILE 71 Ca -0.03 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.09 3gkf h ILE 71 Cb 0.91 -0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3gkf h ILE 71 CO 0.56 0.18 -0.06 -2.24 -0.69 0.00 0.00 178.15 175.91 3gkf h ASP 72 N 1.01 0.00 0.00 1.72 2.03 -1.92 -1.13 116.42 118.13 3gkf h ASP 72 Ca 0.48 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.61 3gkf h ASP 72 Cb 0.42 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.89 3gkf h ASP 72 CO -0.25 0.06 -1.41 -0.38 -1.03 0.00 0.00 179.24 176.23 3gkf n ILE 73 N -3.50 1.03 0.06 4.15 5.41 -0.90 -4.25 119.36 121.36 3gkf n ILE 73 Ca -0.02 -0.05 -0.13 0.00 1.00 0.00 0.00 62.75 63.55 3gkf n ILE 73 Cb 0.18 -1.81 -0.08 0.00 -0.71 0.00 0.00 39.64 37.22 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 -0.55 -0.08 0.49 4.38 -1.24 -1.22 -3.36 115.58 113.99 3gkf h ASN 74 Ca -0.26 -0.11 -0.16 0.00 0.71 0.00 0.00 56.30 56.48 3gkf h ASN 74 Cb 1.07 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.11 3gkf h ASN 74 CO -0.16 0.06 -1.64 -0.38 -1.29 0.00 0.00 177.43 174.03 3gkf n ILE 75 N -5.07 0.96 -0.29 2.57 2.08 -0.51 -4.38 119.36 114.72 3gkf n ILE 75 Ca -0.08 -0.67 0.05 0.00 0.56 0.00 0.00 62.75 62.61 3gkf n ILE 75 Cb 0.12 -0.52 0.19 0.00 -0.75 0.00 0.00 39.64 38.68 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 1.51 1.21 0.00 -1.39 0.00 -1.50 0.39 119.26 119.48 3gkf h ALA 76 Ca -0.18 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gkf h ALA 76 Cb 1.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 3gkf h ALA 76 CO 0.03 -0.01 -0.02 -1.35 0.00 0.00 0.00 179.25 177.90 3gkf h PRO 77 N 0.69 0.00 0.00 0.00 0.10 -1.76 -3.14 132.00 127.89 3gkf h PRO 77 Ca 0.43 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 66.50 3gkf h PRO 77 Cb 0.51 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.60 3gkf h PRO 77 CO -0.31 0.02 -0.24 -0.07 0.10 0.00 0.00 178.00 177.50 3gkf h LEU 78 N 0.00 0.00 -0.38 2.35 3.38 -0.45 -3.38 115.31 116.83 3gkf h LEU 78 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.03 3gkf h LEU 78 Cb 0.07 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 3gkf h LEU 78 CO 0.00 0.14 0.04 -0.26 0.09 0.00 0.00 178.44 178.45 3gkf h PHE 79 N 0.00 0.05 -0.09 1.13 0.04 -1.52 -2.28 116.94 114.26 3gkf h PHE 79 Ca -0.01 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.82 3gkf h PHE 79 Cb 1.11 0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.30 3gkf h PHE 79 CO 0.00 -0.03 0.15 1.05 -0.60 0.00 0.00 178.31 178.88 3gkf h GLU 80 N 0.15 0.00 -0.64 1.51 4.11 -1.83 -0.72 114.58 117.16 3gkf h GLU 80 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3gkf h GLU 80 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3gkf h GLU 80 CO -0.28 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.52 3gkf n HIS 81 N -3.51 1.08 -4.31 2.06 8.25 -0.86 -4.88 115.22 113.04 3gkf n HIS 81 Ca -0.01 -0.47 -0.30 0.00 -0.26 0.00 0.00 57.72 56.68 3gkf n HIS 81 Cb 0.24 -0.11 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.49 2.97 0.03 -1.41 0.00 -0.28 -4.89 121.76 116.70 3gkf s ALA 82 Ca 0.43 -1.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 3gkf s ALA 82 Cb 0.25 -0.97 -0.25 0.00 0.00 0.00 0.00 23.12 22.15 3gkf s ALA 82 CO 0.25 0.63 1.11 -0.44 0.00 0.00 0.00 175.76 177.31 3gkf h ASP 83 N 3.90 0.73 -4.42 0.00 3.32 -1.19 -3.47 116.42 115.29 3gkf h ASP 83 Ca -0.48 -0.78 -0.16 0.00 0.02 0.00 0.00 57.03 55.62 3gkf h ASP 83 Cb 1.17 -0.22 -0.23 0.00 0.22 0.00 0.00 39.33 40.26 3gkf h ASP 83 CO 0.53 1.42 -0.48 0.54 -1.72 0.00 0.00 179.24 179.53 3gkf s VAL 84 N -3.12 0.04 0.06 -1.35 0.11 -1.08 -4.08 120.40 110.98 3gkf s VAL 84 Ca -0.11 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 3gkf s VAL 84 Cb 0.05 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3gkf s VAL 84 CO 0.88 -0.19 0.13 -0.76 -3.33 0.00 0.00 175.10 171.83 3gkf s LEU 85 N -0.68 4.04 -0.16 2.54 1.43 0.40 -0.92 118.68 125.34 3gkf s LEU 85 Ca -0.08 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3gkf s LEU 85 Cb -0.04 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.56 3gkf s LEU 85 CO 0.01 0.18 0.01 -0.32 0.23 0.00 0.00 176.35 176.46 3gkf s MET 86 N -2.38 0.83 0.34 1.70 -2.45 -0.57 0.12 119.30 116.90 3gkf s MET 86 Ca 0.31 -0.32 -0.02 0.00 -1.25 0.00 0.00 55.69 54.40 3gkf s MET 86 Cb -0.13 -1.82 0.00 0.00 1.25 0.00 0.00 34.83 34.14 3gkf s MET 86 CO 0.24 -0.51 0.47 0.00 1.05 0.00 0.00 175.02 176.27 3gkf s THR 88 N -3.06 3.58 0.32 0.00 -4.23 -1.26 -1.04 115.64 109.95 3gkf s THR 88 Ca 0.31 0.51 0.11 0.00 -1.18 0.00 0.00 61.69 61.44 3gkf s THR 88 Cb -0.00 -3.30 0.03 0.00 1.34 0.00 0.00 72.50 70.57 3gkf s THR 88 CO 0.20 -0.67 1.71 0.08 -0.54 0.00 0.00 174.62 175.40 3gkf h ARG 89 N -0.86 0.01 0.11 3.99 0.11 -1.97 -0.73 114.38 115.04 3gkf h ARG 89 Ca -0.45 -0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3gkf h ARG 89 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3gkf h ARG 89 CO 0.59 0.51 -0.05 0.78 0.10 0.00 0.00 179.97 181.89 3gkf h GLY 90 N 1.50 -0.15 0.94 0.08 0.00 -1.96 -1.73 103.07 101.74 3gkf h GLY 90 Ca -0.00 0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 3gkf h GLY 90 CO 0.07 -0.05 0.12 -2.22 0.00 0.00 0.00 176.54 174.45 3gkf h ILE 91 N -0.35 1.21 -0.25 2.60 1.08 -1.93 -2.54 117.51 117.34 3gkf h ILE 91 Ca -0.01 -0.70 0.06 0.00 -0.39 0.00 0.00 64.86 63.81 3gkf h ILE 91 Cb 0.29 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 34.91 3gkf h ILE 91 CO 0.02 0.25 -0.13 0.25 -0.69 0.00 0.00 178.15 177.85 3gkf h LEU 92 N 0.49 -0.43 -0.79 1.44 5.85 -1.03 -0.36 115.31 120.47 3gkf h LEU 92 Ca 0.13 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 3gkf h LEU 92 Cb 0.26 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3gkf h LEU 92 CO -0.00 -0.16 -0.07 0.03 -0.34 0.00 0.00 178.44 177.89 3gkf h ARG 93 N -0.10 0.84 0.19 1.25 3.08 -1.20 -2.82 114.38 115.62 3gkf h ARG 93 Ca 0.13 -0.27 -0.25 0.00 0.07 0.00 0.00 59.98 59.67 3gkf h ARG 93 Cb 0.30 -0.08 0.03 0.00 0.08 0.00 0.00 29.97 30.31 3gkf h ARG 93 CO -0.31 0.88 -1.08 0.66 -1.07 0.00 0.00 179.97 179.05 3gkf h SER 94 N 0.76 0.62 0.00 7.04 4.64 -1.01 -3.42 113.55 122.19 3gkf h SER 94 Ca 0.13 -0.94 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 3gkf h SER 94 Cb 0.56 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3gkf h SER 94 CO 0.03 1.52 0.00 1.33 -0.87 0.00 0.00 176.83 178.85 3gkf n VAL 95 N -3.96 0.00 -3.48 0.95 0.24 -0.19 -4.97 118.33 106.91 3gkf n VAL 95 Ca -0.15 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.34 61.58 3gkf n VAL 95 Cb 0.94 1.59 -0.10 0.00 -1.47 0.00 0.00 33.84 34.79 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 -0.03 5.24 0.17 3.34 1.01 -1.06 -4.71 120.40 124.35 3gkf s VAL 96 Ca 0.00 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.96 3gkf s VAL 96 Cb 0.00 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 3gkf s VAL 96 CO 0.00 0.15 1.30 -2.84 0.00 0.00 0.00 175.10 173.71 3gkf s PRO 97 N 1.91 4.39 0.37 2.72 0.02 -1.26 -4.72 135.00 138.43 3gkf s PRO 97 Ca 0.11 2.02 0.08 0.00 0.02 0.00 0.00 61.00 63.23 3gkf s PRO 97 Cb -0.16 -3.22 0.81 0.00 0.02 0.00 0.00 34.50 31.95 3gkf s PRO 97 CO 0.11 -0.27 1.94 -1.35 -0.33 0.00 0.00 177.00 177.10 3gkf h PRO 98 N 5.69 0.66 0.00 5.54 0.11 -1.96 -0.87 132.00 141.16 3gkf h PRO 98 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3gkf h PRO 98 Cb 1.21 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gkf h PRO 98 CO 0.79 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 179.01 3gkf n ALA 99 N -2.46 1.75 0.19 -0.75 0.00 -1.26 -2.46 120.51 115.52 3gkf n ALA 99 Ca 0.12 -0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.68 3gkf n ALA 99 Cb 0.32 -1.23 0.79 0.00 0.00 0.00 0.00 19.45 19.32 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 0.25 -6.51 0.00 2.02 -1.53 -3.45 112.91 103.69 3gkf h THR 100 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.67 3gkf h THR 100 Cb 0.18 0.68 -0.12 0.00 -1.74 0.00 0.00 68.15 67.15 3gkf h THR 100 CO 0.00 0.00 -0.80 -3.20 0.37 0.00 0.00 175.52 171.89 3gkf n ASN 101 N -3.43 -3.93 -4.31 4.18 5.15 -1.03 -4.87 115.26 107.02 3gkf n ASN 101 Ca 0.03 -0.89 -0.28 0.00 -0.60 0.00 0.00 54.58 52.84 3gkf n ASN 101 Cb 0.50 -3.34 -0.14 0.00 -0.53 0.00 0.00 39.78 36.26 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 -6.76 1.56 0.40 1.20 6.06 -1.26 -5.11 118.95 115.04 3gkf s ARG 102 Ca 0.67 -1.07 -0.27 0.00 -2.50 0.00 0.00 55.73 52.57 3gkf s ARG 102 Cb -0.35 -1.75 -0.09 0.00 0.06 0.00 0.00 34.95 32.81 3gkf s ARG 102 CO 0.88 0.45 1.35 -2.14 -2.50 0.00 0.00 175.30 173.33 3gkf s PRO 103 N -1.33 4.01 0.05 5.12 0.02 -1.26 -4.82 135.00 136.80 3gkf s PRO 103 Ca 0.10 2.27 0.09 0.00 0.02 0.00 0.00 61.00 63.48 3gkf s PRO 103 Cb -0.10 -2.82 -0.03 0.00 0.02 0.00 0.00 34.50 31.57 3gkf s PRO 103 CO 0.02 -0.50 -0.25 0.14 -0.33 0.00 0.00 177.00 176.08 3gkf s VAL 104 N -1.21 2.06 -0.41 3.83 -7.23 -1.26 -0.45 120.40 115.73 3gkf s VAL 104 Ca 0.56 -1.39 -0.09 0.00 -1.81 0.00 0.00 61.98 59.25 3gkf s VAL 104 Cb -0.40 -1.77 0.07 0.00 0.56 0.00 0.00 36.38 34.84 3gkf s VAL 104 CO 0.53 0.31 0.24 -0.69 -0.31 0.00 0.00 175.10 175.17 3gkf s VAL 105 N -0.83 4.17 0.16 1.32 1.01 0.12 -0.84 120.40 125.51 3gkf s VAL 105 Ca 0.11 -1.37 -0.31 0.00 0.00 0.00 0.00 61.98 60.42 3gkf s VAL 105 Cb -0.10 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.67 3gkf s VAL 105 CO 0.02 -0.47 1.34 -0.76 0.00 0.00 0.00 175.10 175.23 3gkf s LEU 106 N 1.42 4.40 -0.09 3.92 1.43 -0.44 -3.38 118.68 125.94 3gkf s LEU 106 Ca 0.03 2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 55.19 3gkf s LEU 106 Cb -0.22 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 3gkf s LEU 106 CO 0.02 -0.57 1.16 -0.60 0.23 0.00 0.00 176.35 176.59 3gkf s ARG 107 N 0.40 4.35 -0.06 1.70 6.06 -0.21 -0.18 118.95 131.00 3gkf s ARG 107 Ca 0.60 1.60 0.09 0.00 -2.50 0.00 0.00 55.73 55.53 3gkf s ARG 107 Cb -0.36 -3.58 0.14 0.00 0.06 0.00 0.00 34.95 31.21 3gkf s ARG 107 CO 0.35 -0.46 1.05 0.00 -2.50 0.00 0.00 175.30 173.73 3gkf n ALA 108 N 5.39 2.07 -2.53 6.12 0.00 0.41 -4.51 120.51 127.46 3gkf n ALA 108 Ca 0.11 -1.78 -0.25 0.00 0.00 0.00 0.00 53.44 51.52 3gkf n ALA 108 Cb 0.46 -0.23 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.88 3.90 0.00 0.00 1.04 -1.20 0.19 113.70 115.75 3gkf s SER 109 Ca 0.16 -1.07 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3gkf s SER 109 Cb 0.14 -0.43 0.00 0.00 0.10 0.00 0.00 66.02 65.83 3gkf s SER 109 CO 0.01 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.68 3gkf n GLY 110 N -0.82 -0.55 1.58 7.32 0.00 -0.36 -4.60 105.19 107.76 3gkf n GLY 110 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.54 4.61 0.00 -1.26 -0.09 120.51 121.22 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 -0.02 -0.05 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.03 5.12 0.17 0.00 4.22 -1.23 -4.76 114.94 116.42 3gkf s ASN 112 Ca 0.00 -0.55 0.03 0.00 -2.14 0.00 0.00 52.86 50.19 3gkf s ASN 112 Cb 0.00 -0.94 -0.05 0.00 1.28 0.00 0.00 41.25 41.54 3gkf s ASN 112 CO 0.00 -0.30 -0.03 -0.94 -2.04 0.00 0.00 177.10 173.80 3gkf s SER 113 N -3.93 1.44 0.00 3.54 1.04 -1.26 -4.45 113.70 110.08 3gkf s SER 113 Ca 0.39 -1.13 0.20 0.00 0.48 0.00 0.00 55.95 55.89 3gkf s SER 113 Cb -0.05 0.07 1.02 0.00 0.10 0.00 0.00 66.02 67.16 3gkf s SER 113 CO 0.25 -0.50 1.61 2.30 0.98 0.00 0.00 173.24 177.89 3gkf n ILE 114 N -0.24 0.35 1.21 -1.02 -5.35 -0.85 -2.46 119.36 111.00 3gkf n ILE 114 Ca -0.08 0.09 0.13 0.00 -0.27 0.00 0.00 62.75 62.62 3gkf n ILE 114 Cb 0.62 -0.76 0.38 0.00 -1.74 0.00 0.00 39.64 38.15 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 -1.25 0.82 0.00 7.28 4.77 -1.26 -4.94 117.00 122.42 3gkf n LEU 115 Ca 0.10 -0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 55.89 3gkf n LEU 115 Cb 0.15 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 3gkf n LEU 115 CO 0.15 0.16 -0.02 0.00 -1.33 0.00 0.00 177.39 176.35 3gkf n ALA 116 N -0.88 0.12 -1.68 -1.18 0.00 -1.03 -5.10 120.51 110.76 3gkf n ALA 116 Ca 0.11 -0.33 -0.45 0.00 0.00 0.00 0.00 53.44 52.77 3gkf n ALA 116 Cb 0.34 0.27 -0.04 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.11 2.41 -0.25 0.00 4.07 -1.26 -4.73 120.64 120.77 3gkf n GLU 117 Ca 0.01 0.87 -0.07 0.00 -0.06 0.00 0.00 57.16 57.92 3gkf n GLU 117 Cb 0.10 -2.71 0.05 0.00 -0.06 0.00 0.00 31.44 28.82 3gkf n GLU 117 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3gkf h LEU 118 N 7.57 1.00 0.00 4.31 5.85 -1.95 -2.96 115.31 129.12 3gkf h LEU 118 Ca -0.46 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.06 3gkf h LEU 118 Cb 1.24 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3gkf h LEU 118 CO 0.93 0.92 0.00 -1.54 -0.34 0.00 0.00 178.44 178.41 3gkf n SER 119 N -4.33 0.00 -4.06 1.25 3.41 -1.26 -4.55 113.62 104.08 3gkf n SER 119 Ca 0.05 -0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 57.61 3gkf n SER 119 Cb 0.20 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3gkf n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkf n ASN 120 N -1.07 4.34 -4.61 4.04 5.15 -1.12 -4.57 115.26 117.42 3gkf n ASN 120 Ca 0.17 -2.88 -0.26 0.00 -0.60 0.00 0.00 54.58 51.01 3gkf n ASN 120 Cb 0.11 -1.68 -0.08 0.00 -0.53 0.00 0.00 39.78 37.59 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 3.42 2.22 0.26 1.20 2.02 -1.26 -3.54 118.70 123.02 3gkf s GLU 121 Ca 0.49 -1.22 0.01 0.00 0.02 0.00 0.00 54.97 54.28 3gkf s GLU 121 Cb 0.10 -2.24 -0.05 0.00 0.10 0.00 0.00 34.13 32.04 3gkf s GLU 121 CO -0.02 0.44 0.10 0.00 0.02 0.00 0.00 175.26 175.79 3gkf s ALA 122 N -1.77 1.76 0.12 5.21 0.00 0.87 -4.76 121.76 123.18 3gkf s ALA 122 Ca 0.26 -1.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.05 3gkf s ALA 122 Cb -0.09 1.04 -0.07 0.00 0.00 0.00 0.00 23.12 24.00 3gkf s ALA 122 CO 0.17 -0.45 1.31 0.08 0.00 0.00 0.00 175.76 176.87 3gkf s VAL 123 N -3.73 3.50 -2.18 0.00 1.01 -1.26 -1.22 120.40 116.51 3gkf s VAL 123 Ca 0.38 1.11 0.19 0.00 0.00 0.00 0.00 61.98 63.66 3gkf s VAL 123 Cb 0.08 -3.71 0.10 0.00 0.00 0.00 0.00 36.38 32.84 3gkf s VAL 123 CO 0.14 0.11 1.06 0.00 0.00 0.00 0.00 175.10 176.40 3gkf n ALA 124 N 3.64 2.79 -3.55 5.51 0.00 0.50 -4.82 120.51 124.57 3gkf n ALA 124 Ca 0.09 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 3gkf n ALA 124 Cb 0.44 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 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 -1.85 -0.42 0.48 0.00 0.05 -1.25 -4.93 118.68 110.75 3gkf s LEU 125 Ca 0.20 0.39 -0.19 0.00 0.05 0.00 0.00 54.13 54.59 3gkf s LEU 125 Cb 0.16 2.01 -0.09 0.00 -2.05 0.00 0.00 46.19 46.22 3gkf s LEU 125 CO 0.33 -0.44 0.97 -0.94 -0.55 0.00 0.00 176.35 175.73 3gkf s SER 126 N -1.35 6.73 0.43 1.48 1.04 -1.26 -4.91 113.70 115.86 3gkf s SER 126 Ca -0.02 1.65 0.10 0.00 0.48 0.00 0.00 55.95 58.16 3gkf s SER 126 Cb -0.00 -2.53 0.95 0.00 0.10 0.00 0.00 66.02 64.54 3gkf s SER 126 CO 0.01 -0.51 2.05 -0.03 0.98 0.00 0.00 173.24 175.74 3gkf h MET 127 N 1.39 0.32 -0.67 4.02 4.05 -1.97 -0.76 114.93 121.31 3gkf h MET 127 Ca -0.48 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 58.99 3gkf h MET 127 Cb 1.19 -0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 31.81 3gkf h MET 127 CO 0.61 0.27 -0.52 0.22 0.23 0.00 0.00 176.91 177.72 3gkf h ASP 128 N 0.32 -1.80 0.08 1.39 3.58 -1.97 0.19 116.42 118.21 3gkf h ASP 128 Ca 0.08 0.27 -0.11 0.00 0.42 0.00 0.00 57.03 57.70 3gkf h ASP 128 Cb 0.06 0.79 -0.01 0.00 1.72 0.00 0.00 39.33 41.89 3gkf h ASP 128 CO -0.01 -0.33 -0.37 -0.78 -2.88 0.00 0.00 179.24 174.88 3gkf h ASP 129 N -0.21 0.41 -0.84 2.28 3.58 -1.55 0.23 116.42 120.33 3gkf h ASP 129 Ca 0.15 -0.17 0.01 0.00 0.42 0.00 0.00 57.03 57.45 3gkf h ASP 129 Cb 0.54 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 3gkf h ASP 129 CO -0.75 0.75 0.55 0.00 -2.88 0.00 0.00 179.24 176.91 3gkf h ALA 130 N 1.28 1.07 -0.28 -0.78 0.00 -0.42 0.24 119.26 120.36 3gkf h ALA 130 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3gkf h ALA 130 Cb 0.80 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3gkf h ALA 130 CO 0.06 0.46 -0.42 0.28 0.00 0.00 0.00 179.25 179.63 3gkf h VAL 131 N 1.12 1.29 0.00 0.00 2.07 -0.42 -1.75 116.25 118.56 3gkf h VAL 131 Ca 0.31 -1.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 3gkf h VAL 131 Cb -0.11 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3gkf h VAL 131 CO -0.07 0.51 -0.11 -0.09 0.02 0.00 0.00 177.57 177.83 3gkf h ARG 132 N 0.56 0.00 -0.46 1.57 2.43 0.08 -2.03 114.38 116.53 3gkf h ARG 132 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3gkf h ARG 132 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3gkf h ARG 132 CO 0.09 0.11 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 3gkf n LEU 133 N -4.16 2.59 -3.74 3.80 4.77 0.76 -4.94 117.00 116.09 3gkf n LEU 133 Ca -0.02 -1.27 -0.25 0.00 -0.03 0.00 0.00 56.01 54.43 3gkf n LEU 133 Cb 0.19 -0.31 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3gkf n LEU 133 CO 0.33 0.64 0.11 -3.20 -1.33 0.00 0.00 177.39 173.94 3gkf n ASN 134 N 0.92 -4.16 -4.79 -1.43 5.15 -0.76 -4.96 115.26 105.22 3gkf n ASN 134 Ca 0.17 -0.71 -0.32 0.00 -0.60 0.00 0.00 54.58 53.12 3gkf n ASN 134 Cb 0.42 -4.36 0.04 0.00 -0.53 0.00 0.00 39.78 35.35 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 5.30 0.11 1.20 0.01 -0.72 -4.77 113.70 111.18 3gkf s SER 135 Ca 0.43 1.84 0.22 0.00 1.31 0.00 0.00 55.95 59.75 3gkf s SER 135 Cb -0.21 -2.53 -0.13 0.00 0.21 0.00 0.00 66.02 63.36 3gkf s SER 135 CO 0.79 -1.50 0.82 0.00 0.41 0.00 0.00 173.24 173.76 3gkf s ALA 137 N -3.40 -1.91 0.06 0.00 0.00 -1.23 -4.12 121.76 111.16 3gkf s ALA 137 Ca -0.03 0.74 0.09 0.00 0.00 0.00 0.00 51.96 52.75 3gkf s ALA 137 Cb 0.11 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.59 3gkf s ALA 137 CO 0.84 -0.88 -0.25 0.14 0.00 0.00 0.00 175.76 175.61 3gkf s VAL 138 N -2.89 2.29 0.05 0.00 -7.23 -0.82 -1.32 120.40 110.48 3gkf s VAL 138 Ca 0.10 -1.43 0.07 0.00 -1.81 0.00 0.00 61.98 58.91 3gkf s VAL 138 Cb 0.00 -1.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 3gkf s VAL 138 CO -0.03 0.30 -0.19 0.00 -0.31 0.00 0.00 175.10 174.88 3gkf s ALA 139 N -0.88 1.57 0.13 1.32 0.00 0.74 -0.17 121.76 124.48 3gkf s ALA 139 Ca 0.13 -1.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3gkf s ALA 139 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 3gkf s ALA 139 CO 0.04 0.33 0.23 0.00 0.00 0.00 0.00 175.76 176.36 3gkf s ALA 140 N -0.85 -0.03 -0.06 0.00 0.00 -0.42 0.16 121.76 120.56 3gkf s ALA 140 Ca 0.05 -0.83 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 3gkf s ALA 140 Cb -0.09 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 3gkf s ALA 140 CO 0.02 -0.58 0.17 -0.65 0.00 0.00 0.00 175.76 174.71 3gkf s GLN 141 N -3.93 3.45 -0.03 0.00 -1.52 -1.26 -0.74 119.66 115.63 3gkf s GLN 141 Ca 0.13 -0.22 0.05 0.00 -1.95 0.00 0.00 55.36 53.37 3gkf s GLN 141 Cb 0.04 -3.14 -0.03 0.00 -0.22 0.00 0.00 33.01 29.67 3gkf s GLN 141 CO -0.04 0.72 -0.18 0.54 -0.25 0.00 0.00 175.29 176.08 3gkf s VAL 142 N -1.19 2.78 -0.62 1.09 0.11 0.17 -4.75 120.40 117.98 3gkf s VAL 142 Ca 0.22 -0.87 0.06 0.00 -2.93 0.00 0.00 61.98 58.46 3gkf s VAL 142 Cb -0.12 -2.07 0.24 0.00 -1.53 0.00 0.00 36.38 32.89 3gkf s VAL 142 CO 0.12 0.56 0.68 -1.22 -3.33 0.00 0.00 175.10 171.92 3gkf n TYR 143 N 2.26 3.08 -1.75 1.54 4.01 -1.26 -0.96 117.16 124.09 3gkf n TYR 143 Ca -0.17 -4.10 -0.41 0.00 -0.16 0.00 0.00 57.90 53.06 3gkf n TYR 143 Cb 0.52 -0.53 0.01 0.00 -0.31 0.00 0.00 39.34 39.03 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 1.10 2.37 0.00 -0.72 2.08 -1.26 -1.96 119.36 120.96 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 0.42 -1.82 0.00 0.00 -0.75 0.00 0.00 39.64 37.49 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 0.59 2.92 3.93 7.39 0.00 -1.26 -4.93 105.19 113.83 3gkf n GLY 145 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -2.26 4.67 0.34 1.61 0.01 -0.83 -4.97 113.70 112.27 3gkf s SER 146 Ca 0.00 0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.74 3gkf s SER 146 Cb 0.00 -1.04 0.61 0.00 0.21 0.00 0.00 66.02 65.80 3gkf s SER 146 CO 0.00 -1.71 1.98 -0.08 0.41 0.00 0.00 173.24 173.84 3gkf h GLU 147 N -0.71 0.80 -0.83 12.44 4.81 -1.95 -2.90 114.58 126.25 3gkf h GLU 147 Ca -0.44 -0.07 -0.49 0.00 -0.13 0.00 0.00 59.36 58.22 3gkf h GLU 147 Cb 1.31 -0.17 -0.27 0.00 0.63 0.00 0.00 28.75 30.25 3gkf h GLU 147 CO 0.59 0.57 0.41 0.66 -0.73 0.00 0.00 179.01 180.51 3gkf n TYR 148 N -4.41 2.64 0.12 0.92 4.01 -1.26 -4.68 117.16 114.50 3gkf n TYR 148 Ca 0.06 -2.18 0.03 0.00 -0.16 0.00 0.00 57.90 55.64 3gkf n TYR 148 Cb 0.08 -0.94 0.41 0.00 -0.31 0.00 0.00 39.34 38.59 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 1.40 0.24 0.07 -0.72 4.81 -1.64 -1.65 114.58 117.09 3gkf h GLU 149 Ca 0.51 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3gkf h GLU 149 Cb 1.87 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.21 3gkf h GLU 149 CO 1.05 0.34 -0.03 1.25 -0.73 0.00 0.00 179.01 180.89 3gkf h HIS 150 N 0.23 -0.09 -0.59 0.92 2.76 -1.87 -2.46 115.15 114.05 3gkf h HIS 150 Ca 0.05 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3gkf h HIS 150 Cb 0.31 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 3gkf h HIS 150 CO 0.00 0.16 0.26 0.37 -1.30 0.00 0.00 177.93 177.43 3gkf h GLN 151 N -0.33 0.84 -0.83 5.26 5.75 -1.88 -1.42 115.11 122.51 3gkf h GLN 151 Ca -0.01 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 3gkf h GLN 151 Cb 0.29 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 3gkf h GLN 151 CO 0.02 0.67 0.43 0.66 -2.65 0.00 0.00 178.83 177.96 3gkf h SER 152 N 0.84 1.06 0.04 -0.69 4.64 -0.98 0.85 113.55 119.30 3gkf h SER 152 Ca 0.20 -0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 61.22 3gkf h SER 152 Cb 0.12 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 3gkf h SER 152 CO -0.02 0.88 -0.67 0.40 -0.87 0.00 0.00 176.83 176.54 3gkf h ILE 153 N 1.17 1.33 -0.67 0.95 2.04 -0.98 -2.54 117.51 118.80 3gkf h ILE 153 Ca 0.29 -1.96 0.03 0.00 1.00 0.00 0.00 64.86 64.22 3gkf h ILE 153 Cb 0.07 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3gkf h ILE 153 CO -0.04 0.61 0.44 0.11 0.00 0.00 0.00 178.15 179.27 3gkf h LYS 154 N 0.42 0.78 -0.16 2.37 1.57 -0.52 0.83 116.57 121.86 3gkf h LYS 154 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3gkf h LYS 154 Cb 1.26 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3gkf h LYS 154 CO 0.13 0.52 0.10 -0.91 -0.57 0.00 0.00 179.45 178.72 3gkf h ASN 155 N 0.81 0.17 -0.67 0.86 2.35 -0.46 -0.03 115.58 118.62 3gkf h ASN 155 Ca 0.27 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3gkf h ASN 155 Cb 0.06 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3gkf h ASN 155 CO -0.07 0.13 0.37 0.40 -1.65 0.00 0.00 177.43 176.61 3gkf h ILE 156 N 0.21 1.20 -0.10 2.81 1.08 -0.89 -1.06 117.51 120.76 3gkf h ILE 156 Ca 0.06 -0.50 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 3gkf h ILE 156 Cb -0.02 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 3gkf h ILE 156 CO -0.02 0.22 -0.02 0.40 -0.69 0.00 0.00 178.15 178.04 3gkf h ILE 157 N 0.91 0.90 -0.64 -0.67 2.04 -0.52 -0.62 117.51 118.91 3gkf h ILE 157 Ca 0.24 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.09 3gkf h ILE 157 Cb 0.02 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 3gkf h ILE 157 CO -0.04 0.00 0.38 -0.61 0.00 0.00 0.00 178.15 177.88 3gkf h GLN 158 N 0.00 0.88 -0.72 2.37 4.15 -0.68 -0.34 115.11 120.77 3gkf h GLN 158 Ca 0.05 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 3gkf h GLN 158 Cb 0.07 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3gkf h GLN 158 CO -0.10 0.64 0.32 -0.07 -1.93 0.00 0.00 178.83 177.69 3gkf h LEU 159 N 0.87 0.95 -0.40 -2.39 3.38 -0.74 -1.93 115.31 115.04 3gkf h LEU 159 Ca 0.23 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3gkf h LEU 159 Cb -0.01 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3gkf h LEU 159 CO -0.04 0.82 0.02 0.58 0.09 0.00 0.00 178.44 179.91 3gkf h VAL 160 N 1.03 1.25 -0.67 1.22 2.07 -0.61 0.20 116.25 120.74 3gkf h VAL 160 Ca 0.25 -0.97 0.08 0.00 0.82 0.00 0.00 66.70 66.88 3gkf h VAL 160 Cb 0.14 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 3gkf h VAL 160 CO -0.03 0.33 0.35 0.44 0.02 0.00 0.00 177.57 178.68 3gkf h ASP 161 N 0.54 0.48 -0.32 0.57 3.32 -0.72 0.21 116.42 120.49 3gkf h ASP 161 Ca 0.12 0.05 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 3gkf h ASP 161 Cb 0.44 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3gkf h ASP 161 CO 0.02 0.29 -0.39 0.00 -1.72 0.00 0.00 179.24 177.44 3gkf h ALA 162 N 1.38 0.48 -0.15 3.45 0.00 -1.17 -3.26 119.26 119.99 3gkf h ALA 162 Ca 0.32 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3gkf h ALA 162 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3gkf h ALA 162 CO -0.23 0.58 -0.44 0.78 0.00 0.00 0.00 179.25 179.95 3gkf h GLY 163 N 0.62 0.39 1.82 0.00 0.00 0.27 -2.61 103.07 103.55 3gkf h GLY 163 Ca 0.04 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3gkf h GLY 163 CO 0.09 0.35 -0.25 -0.33 0.00 0.00 0.00 176.54 176.40 3gkf h MET 164 N 0.29 0.21 0.00 4.80 2.07 -1.04 0.77 114.93 122.03 3gkf h MET 164 Ca 0.02 -0.07 -0.02 0.00 -2.07 0.00 0.00 59.70 57.57 3gkf h MET 164 Cb 0.89 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.60 3gkf h MET 164 CO 0.07 0.45 -0.07 0.87 1.07 0.00 0.00 176.91 179.30 3gkf h LYS 165 N 0.19 0.00 0.00 1.72 1.57 -1.51 -3.35 116.57 115.19 3gkf h LYS 165 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3gkf h LYS 165 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3gkf h LYS 165 CO 0.04 0.07 0.00 1.55 -0.57 0.00 0.00 179.45 180.54 3gkf n VAL 166 N -3.57 0.00 -0.40 0.50 3.14 -0.24 -5.01 118.33 112.75 3gkf n VAL 166 Ca -0.02 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.08 3gkf n VAL 166 Cb 0.19 1.06 0.00 0.00 -1.06 0.00 0.00 33.84 34.04 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 0.48 0.83 3.53 7.55 0.00 0.24 -4.96 105.19 112.87 3gkf n GLY 167 Ca 0.00 -0.40 -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 -0.85 3.80 0.63 1.61 0.00 0.26 -3.85 119.30 120.90 3gkf s MET 168 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 55.69 55.12 3gkf s MET 168 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 34.83 31.26 3gkf s MET 168 CO 0.00 -0.21 1.09 -2.14 0.00 0.00 0.00 175.02 173.76 3gkf s PRO 169 N 1.70 3.01 -0.06 4.11 0.02 -1.26 -4.37 135.00 138.16 3gkf s PRO 169 Ca 0.07 1.34 0.05 0.00 0.02 0.00 0.00 61.00 62.48 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 -1.08 -0.20 0.99 -0.33 0.00 0.00 177.00 176.46 3gkf s THR 170 N -2.34 2.49 -0.20 0.99 2.01 -1.26 -1.95 115.64 115.39 3gkf s THR 170 Ca 0.66 -0.92 -0.04 0.00 0.31 0.00 0.00 61.69 61.70 3gkf s THR 170 Cb -0.19 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.36 3gkf s THR 170 CO 0.39 0.57 -0.03 -0.32 -0.69 0.00 0.00 174.62 174.55 3gkf s MET 171 N -0.39 3.54 -0.23 4.92 1.75 0.76 -0.96 119.30 128.68 3gkf s MET 171 Ca 0.03 -0.56 -0.09 0.00 -1.25 0.00 0.00 55.69 53.82 3gkf s MET 171 Cb -0.12 -3.00 -0.04 0.00 2.84 0.00 0.00 34.83 34.50 3gkf s MET 171 CO 0.02 -0.00 0.10 0.00 -0.65 0.00 0.00 175.02 174.49 3gkf s ALA 172 N 1.01 3.39 -0.17 4.11 0.00 -0.29 -1.31 121.76 128.51 3gkf s ALA 172 Ca 0.01 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 3gkf s ALA 172 Cb -0.14 -2.14 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 3gkf s ALA 172 CO 0.01 -0.21 0.08 0.08 0.00 0.00 0.00 175.76 175.72 3gkf s VAL 173 N 1.10 4.99 -0.49 0.00 1.01 0.08 -0.92 120.40 126.17 3gkf s VAL 173 Ca 0.05 0.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.84 3gkf s VAL 173 Cb -0.14 -3.23 0.03 0.00 0.00 0.00 0.00 36.38 33.04 3gkf s VAL 173 CO 0.04 0.49 0.81 0.42 0.00 0.00 0.00 175.10 176.86 3gkf s THR 174 N 0.07 4.60 0.09 3.92 -4.23 -0.84 0.42 115.64 119.66 3gkf s THR 174 Ca 0.07 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 3gkf s THR 174 Cb -0.12 -4.39 -0.04 0.00 1.34 0.00 0.00 72.50 69.29 3gkf s THR 174 CO 0.00 -0.86 0.24 -0.83 -0.54 0.00 0.00 174.62 172.64 3gkf s GLY 175 N 2.44 2.08 0.00 3.99 0.00 -0.13 -4.82 107.32 110.88 3gkf s GLY 175 Ca 0.28 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 44.14 3gkf s GLY 175 CO 0.20 -0.84 0.00 -0.62 0.00 0.00 0.00 173.10 171.84 3gkf n VAL 176 N 0.08 0.00 -2.21 1.40 0.31 -1.26 -4.40 118.33 112.25 3gkf n VAL 176 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.24 3gkf n VAL 176 Cb 0.52 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.46 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 0.47 -4.10 5.55 0.63 -1.26 -5.06 116.66 112.90 3gkf n ARG 182 Ca 0.00 -0.91 -0.28 0.00 -0.92 0.00 0.00 57.85 55.75 3gkf n ARG 182 Cb 0.00 0.44 -0.03 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 -0.88 4.51 0.13 6.15 -4.77 -1.26 -4.97 116.67 115.59 3gkf s ASP 183 Ca 0.03 -1.32 -0.21 0.00 -3.30 0.00 0.00 52.55 47.75 3gkf s ASP 183 Cb 0.15 0.35 -0.02 0.00 -1.09 0.00 0.00 42.92 42.32 3gkf s ASP 183 CO -0.04 -1.00 1.68 -0.61 0.70 0.00 0.00 175.17 175.90 3gkf h GLN 184 N 0.94 -0.10 -0.86 2.11 -0.00 -1.92 -1.18 115.11 114.10 3gkf h GLN 184 Ca -0.39 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.40 3gkf h GLN 184 Cb 1.30 0.02 -0.06 0.00 0.00 0.00 0.00 27.48 28.74 3gkf h GLN 184 CO 0.62 -0.07 0.56 0.07 0.00 0.00 0.00 178.83 180.01 3gkf h ARG 185 N -0.11 0.68 0.32 1.69 0.11 -1.94 0.20 114.38 115.34 3gkf h ARG 185 Ca 0.10 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.12 3gkf h ARG 185 Cb 0.25 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3gkf h ARG 185 CO -0.23 0.45 -0.15 -0.92 0.10 0.00 0.00 179.97 179.22 3gkf h TYR 186 N 0.70 -0.39 0.00 4.08 3.20 -1.64 -2.50 116.97 120.42 3gkf h TYR 186 Ca 0.42 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.27 3gkf h TYR 186 Cb 0.63 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.03 3gkf h TYR 186 CO -0.00 -0.08 -0.07 0.74 -1.64 0.00 0.00 178.16 177.11 3gkf h PHE 187 N -0.73 0.00 0.12 -3.82 0.04 -0.61 -1.40 116.94 110.54 3gkf h PHE 187 Ca -0.04 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 3gkf h PHE 187 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 3gkf h PHE 187 CO 0.02 0.07 -0.06 0.77 -0.60 0.00 0.00 178.31 178.51 3gkf h SER 188 N 0.00 -0.13 0.11 2.17 0.02 -0.53 0.18 113.55 115.37 3gkf h SER 188 Ca -0.00 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3gkf h SER 188 Cb 0.14 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 3gkf h SER 188 CO 0.01 -0.07 -0.28 0.25 -1.14 0.00 0.00 176.83 175.61 3gkf h LEU 189 N -0.18 -0.79 -0.08 5.07 5.85 -0.85 -1.44 115.31 122.88 3gkf h LEU 189 Ca -0.02 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3gkf h LEU 189 Cb 0.15 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3gkf h LEU 189 CO 0.03 -0.37 0.05 0.00 -0.34 0.00 0.00 178.44 177.81 3gkf h ALA 190 N 0.23 0.10 -0.73 1.25 0.00 -1.13 -1.11 119.26 117.87 3gkf h ALA 190 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 190 Cb 0.52 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3gkf h ALA 190 CO -0.16 -0.38 0.21 1.79 0.00 0.00 0.00 179.25 180.70 3gkf h THR 191 N 0.08 1.26 -0.24 0.00 1.35 -0.61 -2.39 112.91 112.37 3gkf h THR 191 Ca 0.03 -0.94 -0.13 0.00 -0.55 0.00 0.00 66.41 64.82 3gkf h THR 191 Cb 0.03 0.48 -0.00 0.00 -1.73 0.00 0.00 68.15 66.93 3gkf h THR 191 CO -0.01 0.37 -0.36 -0.09 -0.25 0.00 0.00 175.52 175.18 3gkf h ARG 192 N 1.09 0.67 -0.08 4.72 9.65 -1.08 -0.41 114.38 128.93 3gkf h ARG 192 Ca 0.23 -0.40 0.01 0.00 -1.10 0.00 0.00 59.98 58.72 3gkf h ARG 192 Cb 0.34 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 3gkf h ARG 192 CO -0.00 1.01 0.03 0.82 2.80 0.00 0.00 179.97 184.63 3gkf h ILE 193 N 0.38 0.99 -0.32 1.20 2.04 -1.16 0.80 117.51 121.45 3gkf h ILE 193 Ca 0.02 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3gkf h ILE 193 Cb 0.95 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3gkf h ILE 193 CO 0.08 0.01 0.07 0.00 0.00 0.00 0.00 178.15 178.32 3gkf h ALA 194 N 1.04 0.34 -0.78 1.87 0.00 -1.32 0.14 119.26 120.55 3gkf h ALA 194 Ca 0.03 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3gkf h ALA 194 Cb 0.01 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3gkf h ALA 194 CO -0.03 -0.34 0.32 0.00 0.00 0.00 0.00 179.25 179.21 3gkf h ALA 195 N 1.23 1.09 -0.50 0.00 0.00 -0.82 -2.02 119.26 118.24 3gkf h ALA 195 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3gkf h ALA 195 Cb 0.16 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3gkf h ALA 195 CO -0.19 0.65 -0.02 1.49 0.00 0.00 0.00 179.25 181.19 3gkf h GLU 196 N 1.14 0.89 -0.34 0.00 4.57 -0.37 -2.37 114.58 118.10 3gkf h GLU 196 Ca 0.26 -0.29 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3gkf h GLU 196 Cb 0.20 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3gkf h GLU 196 CO -0.02 0.93 0.23 0.52 -1.18 0.00 0.00 179.01 179.49 3gkf h MET 197 N 0.75 0.31 0.00 1.92 2.86 -0.02 -3.45 114.93 117.31 3gkf h MET 197 Ca 0.14 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 3gkf h MET 197 Cb 0.54 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.13 3gkf h MET 197 CO 0.03 0.20 0.00 0.41 1.06 0.00 0.00 176.91 178.61 3gkf n GLY 198 N -1.52 -0.36 3.72 8.32 0.00 -0.89 -4.93 105.19 109.53 3gkf n GLY 198 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 3.91 0.00 4.61 0.00 -0.99 -4.84 121.76 124.45 3gkf s ALA 199 Ca 0.00 1.55 0.10 0.00 0.00 0.00 0.00 51.96 53.62 3gkf s ALA 199 Cb 0.00 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 19.34 3gkf s ALA 199 CO 0.00 -0.90 1.34 1.96 0.00 0.00 0.00 175.76 178.17 3gkf h GLN 200 N 6.80 0.00 -5.11 0.00 7.50 -1.39 -3.42 115.11 119.50 3gkf h GLN 200 Ca -0.43 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.16 3gkf h GLN 200 Cb 1.20 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.41 3gkf h GLN 200 CO 0.95 0.79 -0.83 0.42 -1.50 0.00 0.00 178.83 178.65 3gkf s ILE 201 N -2.82 1.41 -0.16 2.54 1.01 -0.54 -3.79 121.20 118.85 3gkf s ILE 201 Ca 0.02 -0.68 -0.03 0.00 0.00 0.00 0.00 60.65 59.96 3gkf s ILE 201 Cb 0.09 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 3gkf s ILE 201 CO 0.79 0.41 -0.04 -0.63 0.00 0.00 0.00 174.94 175.46 3gkf s ILE 202 N 0.22 3.81 -0.13 2.92 -1.09 -0.27 -1.14 121.20 125.51 3gkf s ILE 202 Ca -0.08 -0.39 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 3gkf s ILE 202 Cb -0.13 -2.67 -0.02 0.00 -1.58 0.00 0.00 42.46 38.06 3gkf s ILE 202 CO 0.03 0.49 -0.10 -0.75 -1.23 0.00 0.00 174.94 173.39 3gkf s LYS 203 N 0.41 3.43 0.23 2.79 2.20 -0.10 -0.31 119.74 128.38 3gkf s LYS 203 Ca -0.04 -0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 54.89 3gkf s LYS 203 Cb -0.14 -2.71 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 3gkf s LYS 203 CO 0.03 0.26 0.40 -2.37 -0.36 0.00 0.00 175.35 173.30 3gkf n THR 204 N 3.43 0.00 -3.82 3.43 5.66 0.77 -1.99 114.28 121.76 3gkf n THR 204 Ca -0.18 -0.83 -0.29 0.00 -3.05 0.00 0.00 64.05 59.70 3gkf n THR 204 Cb 0.53 0.63 -0.04 0.00 -1.55 0.00 0.00 70.33 69.90 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 -4.35 3.50 0.43 1.09 2.02 -1.26 0.19 117.35 118.96 3gkf s TYR 205 Ca 0.13 0.31 -0.22 0.00 -0.37 0.00 0.00 57.07 56.93 3gkf s TYR 205 Cb -0.02 -1.81 -0.10 0.00 -0.40 0.00 0.00 41.96 39.63 3gkf s TYR 205 CO 0.10 0.50 0.97 -0.47 -1.57 0.00 0.00 175.55 175.08 3gkf s TYR 206 N -1.67 3.28 -0.05 2.71 5.04 -1.26 -4.93 117.35 120.47 3gkf s TYR 206 Ca 0.37 1.62 0.02 0.00 -2.44 0.00 0.00 57.07 56.64 3gkf s TYR 206 Cb -0.12 -2.92 0.02 0.00 0.35 0.00 0.00 41.96 39.29 3gkf s TYR 206 CO 0.28 -0.27 -0.08 0.08 -1.34 0.00 0.00 175.55 174.22 3gkf s VAL 207 N -2.05 0.77 0.38 3.14 1.01 -1.26 -5.03 120.40 117.36 3gkf s VAL 207 Ca 0.62 -0.28 0.13 0.00 0.00 0.00 0.00 61.98 62.45 3gkf s VAL 207 Cb -0.12 -0.74 0.10 0.00 0.00 0.00 0.00 36.38 35.62 3gkf s VAL 207 CO 0.16 0.27 1.85 -0.33 0.00 0.00 0.00 175.10 177.05 3gkf h GLU 208 N 6.98 0.00 -5.05 2.72 5.08 -1.97 -3.34 114.58 119.01 3gkf h GLU 208 Ca -0.35 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.34 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 0.35 -0.86 0.21 -1.00 0.00 0.00 179.01 178.19 3gkf s LYS 209 N -4.25 2.95 0.00 2.33 2.20 -1.26 -4.81 119.74 116.90 3gkf s LYS 209 Ca -0.03 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3gkf s LYS 209 Cb 0.15 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.94 3gkf s LYS 209 CO 0.72 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.93 3gkf n GLY 210 N 4.58 0.78 0.35 5.54 0.00 -1.26 -4.42 105.19 110.76 3gkf n GLY 210 Ca -0.21 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.78 3gkf n GLY 210 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gkf h PHE 211 N 0.00 0.38 -0.77 1.61 3.57 -1.88 -1.39 116.94 118.46 3gkf h PHE 211 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3gkf h PHE 211 Cb 0.00 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 3gkf h PHE 211 CO 0.00 0.18 0.47 0.93 -2.23 0.00 0.00 178.31 177.66 3gkf h GLU 212 N 0.36 0.85 -0.59 1.11 5.08 -1.92 -1.23 114.58 118.24 3gkf h GLU 212 Ca 0.26 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3gkf h GLU 212 Cb 0.57 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3gkf h GLU 212 CO -0.07 0.56 0.12 0.00 -1.00 0.00 0.00 179.01 178.62 3gkf h ARG 213 N 0.88 0.93 0.34 2.33 3.08 -1.64 0.16 114.38 120.45 3gkf h ARG 213 Ca 0.33 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3gkf h ARG 213 Cb 0.13 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3gkf h ARG 213 CO -0.16 0.85 -0.21 0.82 -1.07 0.00 0.00 179.97 180.20 3gkf h ILE 214 N 0.88 0.56 -0.21 2.04 2.04 -1.16 0.11 117.51 121.78 3gkf h ILE 214 Ca 0.19 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.06 3gkf h ILE 214 Cb 0.36 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3gkf h ILE 214 CO 0.00 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.82 3gkf h VAL 215 N -0.53 0.97 -0.46 1.67 2.07 -1.09 -2.28 116.25 116.61 3gkf h VAL 215 Ca -0.04 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 3gkf h VAL 215 Cb 0.44 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3gkf h VAL 215 CO 0.04 0.04 0.16 0.00 0.02 0.00 0.00 177.57 177.82 3gkf h ALA 216 N 1.12 1.43 0.00 1.67 0.00 -0.54 -1.59 119.26 121.35 3gkf h ALA 216 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gkf h ALA 216 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gkf h ALA 216 CO -0.08 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.01 3gkf n GLY 217 N -1.09 -1.61 3.73 0.00 0.00 0.01 -4.76 105.19 101.47 3gkf n GLY 217 Ca 0.03 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 3.54 1.71 -4.29 0.00 -0.04 -1.26 -4.91 135.00 129.75 3gkf n PRO 219 Ca -0.09 -1.04 -0.15 0.00 -0.04 0.00 0.00 63.50 62.18 3gkf n PRO 219 Cb 0.52 -1.47 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 3gkf n PRO 219 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gkf s VAL 220 N -1.96 0.79 0.36 0.52 -7.23 -1.26 -3.44 120.40 108.17 3gkf s VAL 220 Ca 0.37 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.27 3gkf s VAL 220 Cb 0.20 -2.30 -0.12 0.00 0.56 0.00 0.00 36.38 34.73 3gkf s VAL 220 CO 0.32 -0.33 1.15 -2.65 -0.31 0.00 0.00 175.10 173.28 3gkf n PRO 221 N -0.35 1.73 -4.96 4.82 -0.02 -1.24 -4.75 135.00 130.23 3gkf n PRO 221 Ca -0.05 0.61 -0.32 0.00 -2.02 0.00 0.00 63.50 61.72 3gkf n PRO 221 Cb 0.64 -2.16 -0.14 0.00 -0.02 0.00 0.00 33.50 31.83 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 -1.15 2.89 0.06 4.25 1.01 -1.26 -1.12 121.20 125.88 3gkf s ILE 222 Ca 0.59 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.52 3gkf s ILE 222 Cb -0.58 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.74 3gkf s ILE 222 CO 0.60 0.59 -0.22 -0.69 0.00 0.00 0.00 174.94 175.22 3gkf s VAL 223 N -0.72 1.75 -0.04 2.92 1.01 0.57 0.29 120.40 126.19 3gkf s VAL 223 Ca 0.11 -1.30 0.02 0.00 0.00 0.00 0.00 61.98 60.81 3gkf s VAL 223 Cb -0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3gkf s VAL 223 CO 0.00 0.17 -0.08 0.27 0.00 0.00 0.00 175.10 175.46 3gkf s ILE 224 N -0.87 3.56 0.26 2.22 -4.36 -0.90 -0.16 121.20 120.95 3gkf s ILE 224 Ca 0.08 -0.64 -0.16 0.00 -0.26 0.00 0.00 60.65 59.66 3gkf s ILE 224 Cb -0.09 -2.48 -0.08 0.00 1.25 0.00 0.00 42.46 41.05 3gkf s ILE 224 CO 0.02 0.52 0.69 0.00 0.24 0.00 0.00 174.94 176.41 3gkf s ALA 225 N -0.87 3.41 0.12 2.27 0.00 0.13 0.96 121.76 127.78 3gkf s ALA 225 Ca 0.14 0.04 -0.13 0.00 0.00 0.00 0.00 51.96 52.01 3gkf s ALA 225 Cb -0.11 -2.73 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 3gkf s ALA 225 CO 0.04 0.36 1.45 0.78 0.00 0.00 0.00 175.76 178.38 3gkf h GLY 226 N 2.84 0.90 0.00 0.00 0.00 -0.74 -3.39 103.07 102.68 3gkf h GLY 226 Ca -0.48 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 45.93 3gkf h GLY 226 CO 0.66 0.83 0.00 0.61 0.00 0.00 0.00 176.54 178.64 3gkf n GLY 227 N 0.16 -1.34 3.69 4.60 0.00 -1.26 -4.92 105.19 106.12 3gkf n GLY 227 Ca -0.03 -1.33 -0.37 0.00 0.00 0.00 0.00 46.02 44.29 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 0.97 -1.71 1.61 2.85 -1.26 -4.48 118.16 116.14 3gkf n LYS 228 Ca 0.00 0.38 -0.43 0.00 -1.05 0.00 0.00 58.31 57.22 3gkf n LYS 228 Cb 0.00 -2.43 -0.01 0.00 -0.65 0.00 0.00 35.03 31.94 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 -1.80 2.25 -4.39 -1.58 3.00 -1.26 -4.83 118.16 109.55 3gkf n LYS 229 Ca 0.15 0.79 -0.20 0.00 -0.00 0.00 0.00 58.31 59.06 3gkf n LYS 229 Cb 0.48 -2.43 -0.10 0.00 0.00 0.00 0.00 35.03 32.98 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 -0.90 2.38 0.32 3.14 1.43 -1.26 -5.04 118.68 118.74 3gkf s LEU 230 Ca 0.58 -1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.19 3gkf s LEU 230 Cb -0.56 -0.50 -0.12 0.00 0.03 0.00 0.00 46.19 45.04 3gkf s LEU 230 CO 0.59 -0.41 1.49 -0.81 0.23 0.00 0.00 176.35 177.44 3gkf n PRO 231 N -0.52 2.53 -0.16 1.29 -0.04 -1.26 -4.78 135.00 132.06 3gkf n PRO 231 Ca -0.05 0.89 -0.02 0.00 -0.04 0.00 0.00 63.50 64.28 3gkf n PRO 231 Cb 0.64 -2.62 0.05 0.00 -0.04 0.00 0.00 33.50 31.53 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 3.82 0.06 -0.89 0.54 3.07 -1.99 0.28 114.58 119.48 3gkf h GLU 232 Ca -0.48 -0.00 0.24 0.00 -0.50 0.00 0.00 59.36 58.62 3gkf h GLU 232 Cb 1.24 -0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 29.00 3gkf h GLU 232 CO 0.72 0.04 0.31 -0.09 -1.40 0.00 0.00 179.01 178.59 3gkf h ARG 233 N 0.07 0.26 -0.06 2.33 1.12 -1.98 0.20 114.38 116.32 3gkf h ARG 233 Ca 0.25 -0.02 -0.21 0.00 -1.11 0.00 0.00 59.98 58.90 3gkf h ARG 233 Cb 0.39 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 3gkf h ARG 233 CO -0.47 0.17 -0.83 0.93 -3.11 0.00 0.00 179.97 176.66 3gkf h GLU 234 N 0.27 0.49 -0.25 0.20 5.08 -0.82 -2.48 114.58 117.07 3gkf h GLU 234 Ca 0.57 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3gkf h GLU 234 Cb 1.14 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3gkf h GLU 234 CO -0.61 1.09 0.09 0.00 -1.00 0.00 0.00 179.01 178.58 3gkf h ALA 235 N 0.77 0.33 -0.67 3.43 0.00 -0.34 -1.77 119.26 121.01 3gkf h ALA 235 Ca -0.06 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.79 3gkf h ALA 235 Cb 1.44 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 3gkf h ALA 235 CO 0.15 -0.05 0.36 -0.07 0.00 0.00 0.00 179.25 179.63 3gkf h LEU 236 N 0.25 0.51 -0.75 0.00 3.38 -0.69 0.16 115.31 118.17 3gkf h LEU 236 Ca 0.08 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3gkf h LEU 236 Cb 0.22 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3gkf h LEU 236 CO -0.00 0.32 0.45 -0.08 0.09 0.00 0.00 178.44 179.22 3gkf h GLU 237 N 0.65 1.02 -0.30 1.13 4.22 -1.21 0.61 114.58 120.70 3gkf h GLU 237 Ca 0.31 -0.09 0.01 0.00 0.08 0.00 0.00 59.36 59.66 3gkf h GLU 237 Cb 0.23 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3gkf h GLU 237 CO -0.21 0.73 0.19 1.98 -2.18 0.00 0.00 179.01 179.52 3gkf h MET 238 N 1.03 0.37 0.03 1.92 4.05 -0.51 0.80 114.93 122.61 3gkf h MET 238 Ca 0.27 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.70 3gkf h MET 238 Cb -0.03 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 30.64 3gkf h MET 238 CO -0.05 0.25 -0.32 0.00 0.23 0.00 0.00 176.91 177.02 3gkf h TRP 240 N -0.48 0.65 -0.36 0.00 7.01 0.54 -0.90 115.95 122.40 3gkf h TRP 240 Ca 0.05 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.04 3gkf h TRP 240 Cb 0.56 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.42 3gkf h TRP 240 CO -0.33 0.24 0.07 1.96 -2.79 0.00 0.00 178.44 177.60 3gkf h GLN 241 N 0.62 0.59 -0.01 2.65 1.08 -0.47 0.30 115.11 119.86 3gkf h GLN 241 Ca 0.35 -0.15 0.01 0.00 -1.45 0.00 0.00 58.65 57.41 3gkf h GLN 241 Cb 0.35 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 3gkf h GLN 241 CO -0.26 0.64 -0.06 0.00 -0.95 0.00 0.00 178.83 178.20 3gkf h ALA 242 N 0.92 -0.05 0.23 3.87 0.00 -0.26 -0.42 119.26 123.55 3gkf h ALA 242 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gkf h ALA 242 Cb 0.33 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3gkf h ALA 242 CO 0.00 -0.55 -0.11 0.82 0.00 0.00 0.00 179.25 179.41 3gkf h ILE 243 N -0.10 0.78 -0.92 0.00 1.08 -1.15 -0.08 117.51 117.12 3gkf h ILE 243 Ca 0.03 -0.05 0.24 0.00 -0.39 0.00 0.00 64.86 64.69 3gkf h ILE 243 Cb 0.14 0.81 -0.06 0.00 -3.07 0.00 0.00 36.82 34.65 3gkf h ILE 243 CO -0.08 0.01 0.63 -0.78 -0.69 0.00 0.00 178.15 177.24 3gkf h ASP 244 N -0.33 0.24 -0.58 1.72 3.58 -0.80 0.78 116.42 121.02 3gkf h ASP 244 Ca -0.03 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3gkf h ASP 244 Cb 0.26 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.29 3gkf h ASP 244 CO 0.05 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.49 3gkf n GLN 245 N -4.42 2.71 0.00 0.28 6.02 -0.18 -4.91 117.38 116.88 3gkf n GLN 245 Ca 0.20 -2.23 0.00 0.00 -0.01 0.00 0.00 57.00 54.96 3gkf n GLN 245 Cb 0.84 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.51 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 1.28 0.94 3.75 1.08 0.00 0.27 -4.62 105.19 107.88 3gkf n GLY 246 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 2.39 -1.36 4.61 0.00 -0.11 -4.84 121.76 120.45 3gkf s ALA 247 Ca 0.00 0.89 0.22 0.00 0.00 0.00 0.00 51.96 53.07 3gkf s ALA 247 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 3gkf s ALA 247 CO 0.00 -1.42 1.04 0.43 0.00 0.00 0.00 175.76 175.81 3gkf n SER 248 N -2.11 1.27 -3.64 0.00 7.64 0.15 -4.60 113.62 112.33 3gkf n SER 248 Ca 0.13 -1.08 -0.02 0.00 1.01 0.00 0.00 58.87 58.91 3gkf n SER 248 Cb 0.50 0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 64.42 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 -2.81 -0.35 0.06 0.23 0.00 -1.13 -0.95 107.32 102.36 3gkf s GLY 249 Ca 0.12 0.76 0.05 0.00 0.00 0.00 0.00 44.72 45.66 3gkf s GLY 249 CO 0.75 0.19 -0.15 -1.34 0.00 0.00 0.00 173.10 172.55 3gkf s VAL 250 N -2.69 1.17 -0.25 1.40 -7.23 -0.98 -2.11 120.40 109.71 3gkf s VAL 250 Ca 0.12 -1.17 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 3gkf s VAL 250 Cb 0.02 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 35.94 3gkf s VAL 250 CO -0.03 -0.09 -0.08 -0.62 -0.31 0.00 0.00 175.10 173.97 3gkf s ASP 251 N -1.44 4.19 -0.47 4.85 2.15 0.27 -1.51 116.67 124.71 3gkf s ASP 251 Ca 0.01 -1.32 -0.18 0.00 0.43 0.00 0.00 52.55 51.49 3gkf s ASP 251 Cb -0.09 -1.38 0.05 0.00 -0.30 0.00 0.00 42.92 41.20 3gkf s ASP 251 CO 0.02 -0.21 0.53 -0.04 -0.17 0.00 0.00 175.17 175.29 3gkf s MET 252 N 1.23 3.09 0.00 4.34 -1.94 -1.25 0.02 119.30 124.79 3gkf s MET 252 Ca -0.07 -0.93 0.00 0.00 -1.71 0.00 0.00 55.69 52.98 3gkf s MET 252 Cb -0.19 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.58 3gkf s MET 252 CO -0.06 -1.08 0.00 0.41 -0.01 0.00 0.00 175.02 174.28 3gkf n GLY 253 N 5.16 1.33 0.35 -0.03 0.00 -1.26 -3.87 105.19 106.86 3gkf n GLY 253 Ca -0.08 0.00 0.14 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 0.68 0.00 1.61 -0.00 -1.89 0.62 114.38 115.41 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 -0.15 0.00 0.00 0.00 0.00 0.00 29.97 29.82 3gkf h ARG 254 CO 0.00 0.45 0.00 0.09 0.00 0.00 0.00 179.97 180.51 3gkf n ASN 255 N -4.81 0.00 -0.01 7.04 3.02 -1.26 -1.18 115.26 118.06 3gkf n ASN 255 Ca 0.25 0.43 -0.01 0.00 -0.03 0.00 0.00 54.58 55.21 3gkf n ASN 255 Cb 0.63 -0.45 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.45 0.44 0.30 2.41 5.41 0.21 -4.31 119.36 122.37 3gkf n ILE 256 Ca 0.02 0.25 0.17 0.00 1.00 0.00 0.00 62.75 64.19 3gkf n ILE 256 Cb 0.06 -1.47 0.98 0.00 -0.71 0.00 0.00 39.64 38.50 3gkf n ILE 256 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 3gkf h PHE 257 N -0.15 0.00 0.00 1.39 -5.15 -1.41 -0.35 116.94 111.27 3gkf h PHE 257 Ca 0.00 0.00 -0.03 0.00 -0.20 0.00 0.00 57.97 57.74 3gkf h PHE 257 Cb 0.15 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.32 3gkf h PHE 257 CO -0.07 0.00 -0.96 1.96 -2.00 0.00 0.00 178.31 177.24 3gkf h GLN 258 N 0.00 0.00 -7.13 6.09 4.20 -1.37 -3.47 115.11 113.43 3gkf h GLN 258 Ca 0.01 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.17 3gkf h GLN 258 Cb 0.10 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.04 3gkf h GLN 258 CO -0.00 0.05 0.48 0.45 -0.67 0.00 0.00 178.83 179.14 3gkf s SER 259 N -5.53 4.49 0.52 1.46 0.15 -0.14 -4.87 113.70 109.79 3gkf s SER 259 Ca -0.00 2.55 0.31 0.00 0.70 0.00 0.00 55.95 59.50 3gkf s SER 259 Cb 0.09 -2.61 1.16 0.00 -1.71 0.00 0.00 66.02 62.95 3gkf s SER 259 CO 0.78 -2.07 1.91 0.44 1.20 0.00 0.00 173.24 175.50 3gkf h ASP 260 N 0.32 0.00 -2.11 5.45 3.32 -1.91 -3.31 116.42 118.18 3gkf h ASP 260 Ca -0.50 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 55.97 3gkf h ASP 260 Cb 1.32 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.47 3gkf h ASP 260 CO 0.52 0.03 -0.82 1.41 -1.72 0.00 0.00 179.24 178.65 3gkf n HIS 261 N -3.13 1.84 0.11 4.55 8.25 -1.26 -4.99 115.22 120.59 3gkf n HIS 261 Ca 0.01 -3.89 -0.13 0.00 -0.26 0.00 0.00 57.72 53.45 3gkf n HIS 261 Cb 0.35 -0.46 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 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 4.11 -0.53 -0.92 -0.41 0.11 -1.78 -1.97 132.00 130.61 3gkf h PRO 262 Ca 0.14 0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.30 3gkf h PRO 262 Cb 0.76 0.12 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 3gkf h PRO 262 CO 0.67 -0.35 0.60 0.28 -0.21 0.00 0.00 178.00 178.99 3gkf h VAL 263 N -0.55 1.21 -0.55 3.15 2.07 -1.94 0.11 116.25 119.75 3gkf h VAL 263 Ca 0.03 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.18 3gkf h VAL 263 Cb 0.59 -0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3gkf h VAL 263 CO -0.20 0.22 0.29 0.00 0.02 0.00 0.00 177.57 177.90 3gkf h ALA 264 N 1.35 0.71 -0.45 1.67 0.00 -1.78 -2.04 119.26 118.72 3gkf h ALA 264 Ca 0.34 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.29 3gkf h ALA 264 Cb -0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3gkf h ALA 264 CO -0.08 -0.05 0.26 1.98 0.00 0.00 0.00 179.25 181.36 3gkf h MET 265 N 0.55 0.52 -0.65 0.00 -1.53 -0.08 -1.78 114.93 111.95 3gkf h MET 265 Ca 0.24 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.47 3gkf h MET 265 Cb 0.15 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 31.05 3gkf h MET 265 CO -0.17 0.34 0.41 0.52 0.14 0.00 0.00 176.91 178.16 3gkf h MET 266 N 0.53 0.86 -0.48 0.39 2.86 -0.61 0.17 114.93 118.66 3gkf h MET 266 Ca 0.18 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3gkf h MET 266 Cb 0.01 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3gkf h MET 266 CO -0.08 0.59 0.26 0.87 1.06 0.00 0.00 176.91 179.61 3gkf h LYS 267 N 0.88 0.65 0.16 1.72 1.57 -1.07 0.72 116.57 121.21 3gkf h LYS 267 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 3gkf h LYS 267 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3gkf h LYS 267 CO -0.05 0.48 -0.14 0.00 -0.57 0.00 0.00 179.45 179.18 3gkf h ALA 268 N 1.63 -0.29 -0.61 3.86 0.00 -0.10 -1.47 119.26 122.27 3gkf h ALA 268 Ca 0.17 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gkf h ALA 268 Cb 0.02 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3gkf h ALA 268 CO -0.03 -0.68 0.25 0.28 0.00 0.00 0.00 179.25 179.07 3gkf h VAL 269 N -0.32 1.23 -0.69 0.00 2.07 0.82 -1.60 116.25 117.76 3gkf h VAL 269 Ca -0.00 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 66.91 3gkf h VAL 269 Cb 0.29 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 3gkf h VAL 269 CO -0.02 0.28 0.28 1.56 0.02 0.00 0.00 177.57 179.70 3gkf h GLN 270 N 0.85 0.46 0.05 1.57 4.20 0.56 -0.06 115.11 122.74 3gkf h GLN 270 Ca 0.20 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.88 3gkf h GLN 270 Cb 0.20 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3gkf h GLN 270 CO -0.02 0.30 -0.02 0.00 -0.67 0.00 0.00 178.83 178.42 3gkf h ALA 271 N 1.47 -0.07 -0.35 3.87 0.00 -0.36 -0.12 119.26 123.70 3gkf h ALA 271 Ca 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 3gkf h ALA 271 Cb 0.46 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3gkf h ALA 271 CO -0.33 -0.49 0.20 0.28 0.00 0.00 0.00 179.25 178.91 3gkf h VAL 272 N -0.16 1.13 0.36 0.00 2.07 -0.80 0.11 116.25 118.95 3gkf h VAL 272 Ca -0.01 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3gkf h VAL 272 Cb 0.14 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3gkf h VAL 272 CO 0.01 0.13 -0.17 0.58 0.02 0.00 0.00 177.57 178.14 3gkf h VAL 273 N 0.45 0.00 0.20 2.57 2.07 -0.82 -3.06 116.25 117.66 3gkf h VAL 273 Ca 0.13 -0.43 -0.32 0.00 0.82 0.00 0.00 66.70 66.89 3gkf h VAL 273 Cb 0.03 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 29.82 3gkf h VAL 273 CO -0.02 0.00 -1.48 0.45 0.02 0.00 0.00 177.57 176.54 3gkf h HIS 274 N -0.91 0.77 -0.01 1.57 -0.00 -1.15 -3.38 115.15 112.04 3gkf h HIS 274 Ca -0.05 -0.56 0.00 0.00 -0.00 0.00 0.00 60.37 59.76 3gkf h HIS 274 Cb 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.75 3gkf h HIS 274 CO 0.02 1.50 -0.71 0.72 -0.00 0.00 0.00 177.93 179.46 3gkf n HIS 275 N -3.62 0.00 -0.86 2.45 8.25 -0.76 -4.97 115.22 115.70 3gkf n HIS 275 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 3gkf n HIS 275 Cb 1.08 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.19 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 -0.87 -1.11 -4.59 0.41 3.02 -0.05 -4.97 115.26 107.10 3gkf n ASN 276 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.22 3gkf n ASN 276 Cb 0.35 -0.18 0.04 0.00 -0.61 0.00 0.00 39.78 39.38 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 -2.37 0.92 -2.05 3.52 -0.58 -0.90 -4.92 120.64 114.25 3gkf n GLU 277 Ca 0.00 0.35 -0.32 0.00 -0.42 0.00 0.00 57.16 56.77 3gkf n GLU 277 Cb 0.00 -2.08 0.01 0.00 -0.57 0.00 0.00 31.44 28.80 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 -1.51 4.06 0.22 2.62 -1.32 -1.26 -4.42 115.64 114.04 3gkf s THR 278 Ca 0.73 0.92 -0.11 0.00 -1.21 0.00 0.00 61.69 62.01 3gkf s THR 278 Cb -0.44 -3.49 0.24 0.00 -1.51 0.00 0.00 72.50 67.30 3gkf s THR 278 CO 0.50 -0.63 1.63 0.00 -2.21 0.00 0.00 174.62 173.91 3gkf h ALA 279 N 0.35 0.55 0.44 11.08 0.00 -1.91 -0.92 119.26 128.85 3gkf h ALA 279 Ca -0.46 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3gkf h ALA 279 Cb 1.21 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3gkf h ALA 279 CO 0.59 -0.42 -0.21 -0.44 0.00 0.00 0.00 179.25 178.77 3gkf h ASP 280 N 0.05 -0.50 -0.38 0.00 5.19 -1.97 0.25 116.42 119.06 3gkf h ASP 280 Ca 0.34 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.84 3gkf h ASP 280 Cb 0.55 0.13 -0.07 0.00 0.18 0.00 0.00 39.33 40.12 3gkf h ASP 280 CO -0.63 -0.35 -0.06 0.03 -3.12 0.00 0.00 179.24 175.10 3gkf h ARG 281 N -0.60 0.04 -0.27 3.56 3.08 -1.88 0.27 114.38 118.58 3gkf h ARG 281 Ca -0.06 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3gkf h ARG 281 Cb 0.46 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 3gkf h ARG 281 CO 0.10 0.02 -0.52 0.00 -1.07 0.00 0.00 179.97 178.50 3gkf h ALA 282 N 1.36 -0.76 -0.90 0.04 0.00 -0.64 0.34 119.26 118.71 3gkf h ALA 282 Ca 0.18 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.24 3gkf h ALA 282 Cb 0.27 1.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 3gkf h ALA 282 CO -0.36 -1.03 0.48 -0.92 0.00 0.00 0.00 179.25 177.41 3gkf h TYR 283 N -0.47 0.84 -0.03 0.00 3.20 0.43 -0.68 116.97 120.25 3gkf h TYR 283 Ca 0.07 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3gkf h TYR 283 Cb 0.64 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.67 3gkf h TYR 283 CO -0.64 0.17 0.02 0.93 -1.64 0.00 0.00 178.16 177.01 3gkf h GLU 284 N 0.64 0.04 0.00 1.82 5.08 0.11 0.42 114.58 122.69 3gkf h GLU 284 Ca 0.50 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3gkf h GLU 284 Cb 0.76 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3gkf h GLU 284 CO -0.38 0.10 0.00 1.37 -1.00 0.00 0.00 179.01 179.09 3gkf h LEU 285 N -0.02 0.00 0.51 1.33 -0.00 -0.74 0.57 115.31 116.95 3gkf h LEU 285 Ca 0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.88 3gkf h LEU 285 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 3gkf h LEU 285 CO -0.00 0.00 -0.36 0.22 -0.00 0.00 0.00 178.44 178.30 3gkf h TYR 286 N 0.00 -0.95 -0.67 0.17 3.20 0.13 0.20 116.97 119.05 3gkf h TYR 286 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3gkf h TYR 286 Cb 0.21 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3gkf h TYR 286 CO 0.00 -0.53 0.24 -0.07 -1.64 0.00 0.00 178.16 176.16 3gkf h LEU 287 N -0.84 0.94 -0.63 2.82 3.38 -0.33 -2.63 115.31 118.02 3gkf h LEU 287 Ca -0.06 -0.19 0.12 0.00 0.09 0.00 0.00 57.88 57.85 3gkf h LEU 287 Cb 0.70 -0.25 -0.12 0.00 0.09 0.00 0.00 40.66 41.08 3gkf h LEU 287 CO 0.03 0.88 -0.24 -1.28 0.09 0.00 0.00 178.44 177.92 3gkf h SER 288 N 0.96 -0.85 0.93 -0.43 0.87 0.33 -2.84 113.55 112.51 3gkf h SER 288 Ca 0.22 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3gkf h SER 288 Cb 0.25 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 3gkf h SER 288 CO -0.01 -0.26 0.00 -0.62 -0.53 0.00 0.00 176.83 175.41 3gkf n GLU 289 N -5.45 0.07 0.00 2.24 -0.58 0.67 -5.05 120.64 112.54 3gkf n GLU 289 Ca 0.07 0.16 0.02 0.00 -0.42 0.00 0.00 57.16 56.98 3gkf n GLU 289 Cb 0.35 -1.60 0.10 0.00 -0.57 0.00 0.00 31.44 29.72 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28