#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 3.00 -0.28 1.61 1.02 -1.26 -5.11 119.74 118.72 3gkf s LYS 11 Ca 0.00 -0.45 0.02 0.00 0.02 0.00 0.00 55.97 55.55 3gkf s LYS 11 Cb 0.00 -2.82 0.06 0.00 -0.52 0.00 0.00 37.83 34.55 3gkf s LYS 11 CO 0.00 0.68 -0.06 0.34 -0.92 0.00 0.00 175.35 175.38 3gkf s ASP 12 N -1.31 4.60 0.00 2.83 2.15 -1.26 -4.96 116.67 118.73 3gkf s ASP 12 Ca 0.18 -1.46 0.27 0.00 0.43 0.00 0.00 52.55 51.97 3gkf s ASP 12 Cb -0.12 -1.60 1.04 0.00 -0.30 0.00 0.00 42.92 41.94 3gkf s ASP 12 CO 0.08 -0.23 1.74 0.49 -0.17 0.00 0.00 175.17 177.07 3gkf n PHE 13 N 4.46 0.02 -3.85 -5.34 3.72 -1.26 -4.95 117.46 110.26 3gkf n PHE 13 Ca -0.12 -0.01 -0.32 0.00 -0.05 0.00 0.00 57.45 56.95 3gkf n PHE 13 Cb 0.42 0.00 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 0.17 -1.63 0.26 -1.08 3.00 -1.26 -4.82 116.66 111.30 3gkf n ARG 14 Ca 0.19 0.36 0.13 0.00 -0.00 0.00 0.00 57.85 58.53 3gkf n ARG 14 Cb 0.35 -3.94 0.73 0.00 0.00 0.00 0.00 32.46 29.59 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 0.57 0.00 5.15 1.35 -2.02 -2.14 112.91 113.82 3gkf h THR 15 Ca -0.66 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3gkf h THR 15 Cb 1.37 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 3gkf h THR 15 CO 0.54 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.02 3gkf n ASP 16 N -3.66 0.67 -4.04 5.36 5.75 -1.26 -4.55 116.55 114.82 3gkf n ASP 16 Ca -0.02 0.63 -0.32 0.00 -0.01 0.00 0.00 54.79 55.07 3gkf n ASP 16 Cb 0.23 -0.78 -0.15 0.00 -1.03 0.00 0.00 41.12 39.39 3gkf n ASP 16 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3gkf s GLN 17 N -3.23 2.19 0.02 0.11 0.74 -0.80 -5.10 119.66 113.58 3gkf s GLN 17 Ca 0.07 -1.18 -0.18 0.00 0.05 0.00 0.00 55.36 54.12 3gkf s GLN 17 Cb 0.10 -2.75 -0.06 0.00 1.10 0.00 0.00 33.01 31.40 3gkf s GLN 17 CO 0.45 -0.52 0.51 -1.25 -0.55 0.00 0.00 175.29 173.93 3gkf s PRO 18 N 1.20 4.13 0.28 1.67 0.04 -1.26 -4.92 135.00 136.14 3gkf s PRO 18 Ca -0.06 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.28 3gkf s PRO 18 Cb -0.19 -3.26 -0.13 0.00 0.04 0.00 0.00 34.50 30.97 3gkf s PRO 18 CO -0.06 0.59 1.45 0.94 0.04 0.00 0.00 177.00 179.96 3gkf n GLN 19 N 2.03 2.29 -4.36 4.56 7.27 -1.26 -5.00 117.38 122.91 3gkf n GLN 19 Ca -0.11 0.81 -0.19 0.00 0.07 0.00 0.00 57.00 57.58 3gkf n GLN 19 Cb 0.51 -2.50 -0.14 0.00 2.41 0.00 0.00 30.24 30.53 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 -0.75 0.88 -0.09 3.69 2.20 -1.26 -5.13 119.74 119.28 3gkf s LYS 20 Ca 0.64 -0.64 -0.26 0.00 -0.36 0.00 0.00 55.97 55.35 3gkf s LYS 20 Cb -0.58 -0.86 -0.03 0.00 -1.51 0.00 0.00 37.83 34.86 3gkf s LYS 20 CO 0.52 0.22 0.82 -0.80 -0.36 0.00 0.00 175.35 175.74 3gkf s ASN 21 N -0.90 7.07 -0.05 1.43 0.01 -1.26 -5.03 114.94 116.21 3gkf s ASN 21 Ca 0.01 1.30 -0.30 0.00 -0.71 0.00 0.00 52.86 53.16 3gkf s ASN 21 Cb -0.07 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 3gkf s ASN 21 CO 0.01 -0.25 1.29 -0.63 -1.51 0.00 0.00 177.10 176.00 3gkf s ILE 22 N 1.34 4.06 0.60 0.60 1.09 -1.26 -5.00 121.20 122.63 3gkf s ILE 22 Ca 0.41 1.38 -0.18 0.00 -1.10 0.00 0.00 60.65 61.17 3gkf s ILE 22 Cb -0.18 -3.89 -0.03 0.00 -1.06 0.00 0.00 42.46 37.30 3gkf s ILE 22 CO 0.18 -0.02 1.16 -2.84 -0.10 0.00 0.00 174.94 173.32 3gkf s PRO 23 N 2.51 2.99 -0.31 2.79 0.02 -1.26 -5.02 135.00 136.72 3gkf s PRO 23 Ca 0.59 1.65 -0.07 0.00 0.02 0.00 0.00 61.00 63.19 3gkf s PRO 23 Cb -0.27 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.32 3gkf s PRO 23 CO 0.23 -1.15 0.10 0.12 -0.33 0.00 0.00 177.00 175.96 3gkf s PHE 24 N -1.85 3.18 -0.83 6.54 5.36 -1.26 -5.00 117.98 124.12 3gkf s PHE 24 Ca 0.73 -1.07 0.23 0.00 -0.96 0.00 0.00 56.93 55.86 3gkf s PHE 24 Cb -0.26 -2.27 0.04 0.00 -0.34 0.00 0.00 43.02 40.19 3gkf s PHE 24 CO 0.34 -0.61 1.05 0.25 -1.46 0.00 0.00 175.22 174.79 3gkf n THR 25 N 4.86 0.06 -1.58 0.12 -2.24 -1.26 -4.55 114.28 109.69 3gkf n THR 25 Ca -0.14 -0.10 -0.50 0.00 -2.27 0.00 0.00 64.05 61.04 3gkf n THR 25 Cb 0.47 0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.69 1.59 -4.66 3.22 7.94 -1.26 -4.74 117.00 117.41 3gkf n LEU 26 Ca 0.03 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.65 3gkf n LEU 26 Cb 0.38 -1.21 -0.03 0.00 0.53 0.00 0.00 43.42 43.09 3gkf n LEU 26 CO 0.40 -1.21 1.57 -0.75 -1.11 0.00 0.00 177.39 176.29 3gkf s LYS 27 N -0.11 4.12 0.00 1.96 2.20 -1.26 -2.12 119.74 124.53 3gkf s LYS 27 Ca 0.77 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.90 3gkf s LYS 27 Cb -0.88 -4.14 0.00 0.00 -1.51 0.00 0.00 37.83 31.30 3gkf s LYS 27 CO 0.50 -0.97 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 3gkf n GLY 28 N 4.50 0.38 0.78 5.54 0.00 -1.22 -3.75 105.19 111.42 3gkf n GLY 28 Ca 0.20 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.10 -1.46 2.03 0.00 0.00 -1.26 -3.99 105.19 99.41 3gkf n GLY 30 Ca 0.24 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3gkf n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 31 N -1.46 4.88 -2.52 4.61 0.00 -1.26 -4.96 120.51 119.80 3gkf n ALA 31 Ca 0.08 -3.73 -0.29 0.00 0.00 0.00 0.00 53.44 49.51 3gkf n ALA 31 Cb 0.32 -0.35 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.60 2.79 0.93 0.00 1.43 -1.26 -5.11 118.68 113.87 3gkf s LEU 32 Ca 0.50 -0.57 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3gkf s LEU 32 Cb 0.41 -1.58 0.15 0.00 0.03 0.00 0.00 46.19 45.19 3gkf s LEU 32 CO 0.03 0.15 1.13 -0.62 0.23 0.00 0.00 176.35 177.27 3gkf s ASP 33 N -2.37 2.89 0.15 2.29 2.15 -1.26 -4.67 116.67 115.86 3gkf s ASP 33 Ca 0.20 2.05 -0.18 0.00 0.43 0.00 0.00 52.55 55.06 3gkf s ASP 33 Cb -0.10 -2.52 0.06 0.00 -0.30 0.00 0.00 42.92 40.05 3gkf s ASP 33 CO 0.12 -3.10 1.69 -0.25 -0.17 0.00 0.00 175.17 173.46 3gkf h TRP 34 N -1.86 -0.13 -0.87 -5.34 7.01 -1.99 -0.48 115.95 112.29 3gkf h TRP 34 Ca -0.45 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.57 3gkf h TRP 34 Cb 1.27 0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 28.40 3gkf h TRP 34 CO 0.48 -0.12 0.52 0.78 -2.79 0.00 0.00 178.44 177.31 3gkf h GLY 35 N 0.02 1.26 1.15 2.65 0.00 -1.92 0.18 103.07 106.41 3gkf h GLY 35 Ca 0.16 -0.52 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 3gkf h GLY 35 CO -0.32 0.51 -0.26 1.98 0.00 0.00 0.00 176.54 178.45 3gkf h MET 36 N 1.19 0.96 -0.08 4.80 1.85 -1.44 -0.76 114.93 121.46 3gkf h MET 36 Ca 0.31 -0.43 -0.07 0.00 -0.61 0.00 0.00 59.70 58.90 3gkf h MET 36 Cb -0.05 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 31.95 3gkf h MET 36 CO -0.06 1.09 -0.29 1.96 -0.40 0.00 0.00 176.91 179.21 3gkf h GLN 37 N 0.81 0.14 -0.12 0.39 4.20 -0.17 -1.83 115.11 118.52 3gkf h GLN 37 Ca 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 3gkf h GLN 37 Cb 0.83 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.60 3gkf h GLN 37 CO 0.07 0.43 0.01 1.03 -0.67 0.00 0.00 178.83 179.70 3gkf h SER 38 N 0.12 0.20 -0.51 1.46 0.87 -0.01 -1.14 113.55 114.55 3gkf h SER 38 Ca 0.02 -0.27 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3gkf h SER 38 Cb 0.59 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3gkf h SER 38 CO 0.04 0.43 0.29 0.03 -0.53 0.00 0.00 176.83 177.09 3gkf h ARG 39 N -0.03 0.71 -0.35 2.24 3.08 -0.78 -1.65 114.38 117.60 3gkf h ARG 39 Ca 0.04 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3gkf h ARG 39 Cb 0.31 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3gkf h ARG 39 CO 0.00 0.54 0.05 -0.07 -1.07 0.00 0.00 179.97 179.42 3gkf h LEU 40 N 0.69 0.48 -1.24 3.04 3.38 -1.29 -1.70 115.31 118.67 3gkf h LEU 40 Ca 0.18 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3gkf h LEU 40 Cb 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3gkf h LEU 40 CO -0.03 0.52 -0.32 0.28 0.09 0.00 0.00 178.44 178.97 3gkf h SER 41 N 0.51 0.00 -0.59 -0.43 0.02 -0.51 0.90 113.55 113.45 3gkf h SER 41 Ca 0.11 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3gkf h SER 41 Cb 0.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3gkf h SER 41 CO 0.00 0.32 0.17 0.03 -1.14 0.00 0.00 176.83 176.22 3gkf h ARG 42 N 0.00 0.93 0.10 3.45 3.08 -0.41 -3.33 114.38 118.19 3gkf h ARG 42 Ca -0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3gkf h ARG 42 Cb 0.71 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3gkf h ARG 42 CO 0.04 0.84 -0.05 0.82 -1.07 0.00 0.00 179.97 180.55 3gkf h ILE 43 N 0.84 0.86 -3.71 2.04 2.04 -1.18 -3.44 117.51 114.96 3gkf h ILE 43 Ca 0.19 -1.35 -0.63 0.00 1.00 0.00 0.00 64.86 64.06 3gkf h ILE 43 Cb 0.30 1.52 -0.16 0.00 -0.74 0.00 0.00 36.82 37.74 3gkf h ILE 43 CO -0.00 0.25 -0.53 -0.36 0.00 0.00 0.00 178.15 177.51 3gkf s PHE 44 N -2.77 3.25 0.17 1.37 0.08 0.25 -4.52 117.98 115.81 3gkf s PHE 44 Ca -0.11 0.11 -0.32 0.00 0.12 0.00 0.00 56.93 56.73 3gkf s PHE 44 Cb -0.00 -2.30 -0.11 0.00 -0.57 0.00 0.00 43.02 40.03 3gkf s PHE 44 CO 0.42 -0.07 1.69 1.21 -0.10 0.00 0.00 175.22 178.36 3gkf s ASN 45 N 1.38 6.47 0.24 1.36 3.84 0.36 -4.46 114.94 124.14 3gkf s ASN 45 Ca 0.07 2.75 -0.05 0.00 0.21 0.00 0.00 52.86 55.84 3gkf s ASN 45 Cb -0.15 -2.59 0.27 0.00 -0.55 0.00 0.00 41.25 38.23 3gkf s ASN 45 CO 0.07 -0.93 1.81 -0.65 -2.79 0.00 0.00 177.10 174.61 3gkf h PRO 46 N 7.16 1.05 0.47 0.43 0.11 -1.90 2.19 132.00 141.52 3gkf h PRO 46 Ca -0.43 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.46 3gkf h PRO 46 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3gkf h PRO 46 CO 0.94 0.87 -0.23 0.87 -0.21 0.00 0.00 178.00 180.24 3gkf h LYS 47 N 1.02 -0.61 0.00 1.05 1.79 -1.98 -3.32 116.57 114.51 3gkf h LYS 47 Ca 0.23 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3gkf h LYS 47 Cb 0.23 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 3gkf h LYS 47 CO -0.02 -0.36 -1.32 0.25 -1.08 0.00 0.00 179.45 176.93 3gkf n THR 48 N -5.32 0.11 -1.89 -0.16 -2.24 -1.14 -4.98 114.28 98.65 3gkf n THR 48 Ca -0.11 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.28 3gkf n THR 48 Cb 0.29 0.28 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.35 0.34 3.20 3.38 0.00 0.74 -4.97 105.19 109.23 3gkf n GLY 49 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.94 1.13 -0.00 1.61 1.02 -1.20 -4.76 119.74 113.60 3gkf s LYS 50 Ca 0.00 -1.58 -0.06 0.00 0.02 0.00 0.00 55.97 54.35 3gkf s LYS 50 Cb 0.00 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 3gkf s LYS 50 CO 0.00 -0.33 0.12 -0.08 -0.92 0.00 0.00 175.35 174.13 3gkf s THR 51 N -4.08 0.07 -0.31 2.17 -1.32 -0.35 -0.49 115.64 111.33 3gkf s THR 51 Ca 0.34 -0.61 -0.06 0.00 -1.21 0.00 0.00 61.69 60.15 3gkf s THR 51 Cb 0.07 -0.37 0.03 0.00 -1.51 0.00 0.00 72.50 70.72 3gkf s THR 51 CO 0.09 -0.33 0.07 -0.69 -2.21 0.00 0.00 174.62 171.54 3gkf s VAL 52 N -1.16 3.66 -0.17 5.08 1.01 -1.26 -2.38 120.40 125.17 3gkf s VAL 52 Ca -0.13 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.76 3gkf s VAL 52 Cb -0.07 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 3gkf s VAL 52 CO 0.01 -0.06 0.02 -0.32 0.00 0.00 0.00 175.10 174.75 3gkf s MET 53 N 1.40 3.85 -0.50 2.72 0.00 -0.74 -0.38 119.30 125.66 3gkf s MET 53 Ca -0.01 -0.41 -0.12 0.00 0.00 0.00 0.00 55.69 55.15 3gkf s MET 53 Cb -0.19 -3.10 0.13 0.00 0.00 0.00 0.00 34.83 31.67 3gkf s MET 53 CO 0.02 0.25 0.41 -1.17 0.00 0.00 0.00 175.02 174.53 3gkf s LEU 54 N 0.38 5.90 -0.25 4.11 2.96 -0.28 -3.91 118.68 127.59 3gkf s LEU 54 Ca 0.00 -1.88 -0.10 0.00 -0.22 0.00 0.00 54.13 51.93 3gkf s LEU 54 Cb -0.13 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 3gkf s LEU 54 CO 0.01 -0.76 0.16 0.00 -1.32 0.00 0.00 176.35 174.45 3gkf s ALA 55 N 1.43 3.55 -0.38 5.97 0.00 -1.26 -1.80 121.76 129.26 3gkf s ALA 55 Ca 0.05 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.16 3gkf s ALA 55 Cb -0.27 -2.34 0.44 0.00 0.00 0.00 0.00 23.12 20.95 3gkf s ALA 55 CO 0.01 -0.31 1.04 1.97 0.00 0.00 0.00 175.76 178.46 3gkf n PHE 56 N 4.54 2.31 0.83 0.00 1.16 0.64 -4.71 117.46 122.24 3gkf n PHE 56 Ca -0.15 -2.93 0.12 0.00 -1.87 0.00 0.00 57.45 52.62 3gkf n PHE 56 Cb 0.52 -0.23 0.14 0.00 -1.61 0.00 0.00 39.48 38.31 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 -0.29 3.08 0.30 5.98 5.75 -1.23 -4.49 116.55 125.65 3gkf n ASP 57 Ca 0.25 -1.98 0.19 0.00 -0.01 0.00 0.00 54.79 53.23 3gkf n ASP 57 Cb 0.74 -0.07 1.02 0.00 -1.03 0.00 0.00 41.12 41.79 3gkf n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gkf h HIS 58 N 4.58 0.00 -0.13 2.11 -0.00 -1.93 0.05 115.15 119.84 3gkf h HIS 58 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 3gkf h HIS 58 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.39 3gkf h HIS 58 CO 0.07 0.00 0.31 0.78 -0.00 0.00 0.00 177.93 179.09 3gkf h GLY 59 N 0.00 0.00 1.58 2.45 0.00 -1.79 -1.61 103.07 103.71 3gkf h GLY 59 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 3gkf h GLY 59 CO -0.00 0.00 0.23 0.10 0.00 0.00 0.00 176.54 176.87 3gkf h TYR 60 N 0.00 0.54 0.00 5.60 -0.00 -1.27 -2.01 116.97 119.82 3gkf h TYR 60 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.79 3gkf h TYR 60 Cb 0.69 -0.18 0.00 0.00 0.00 0.00 0.00 36.73 37.24 3gkf h TYR 60 CO 0.00 0.37 0.00 1.97 -0.00 0.00 0.00 178.16 180.50 3gkf n PHE 61 N -4.44 0.00 0.24 0.10 1.16 -1.06 -4.70 117.46 108.76 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 0.09 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.90 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 -0.21 2.70 0.00 3.97 6.02 -0.63 -1.72 117.38 127.52 3gkf n GLN 62 Ca 0.00 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3gkf n GLN 62 Cb 0.05 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.30 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 1.51 -0.39 3.18 1.08 0.00 -0.78 -4.29 105.19 105.50 3gkf n GLY 63 Ca 0.00 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.54 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 2.21 -0.91 1.61 -0.02 -1.26 -4.07 135.00 132.55 3gkf n PRO 64 Ca 0.00 -2.44 -0.33 0.00 -2.02 0.00 0.00 63.50 58.71 3gkf n PRO 64 Cb 0.00 -3.29 0.13 0.00 -0.02 0.00 0.00 33.50 30.32 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 6.19 0.87 -1.78 3.45 -1.04 -1.26 -4.67 114.28 116.04 3gkf n THR 65 Ca 0.49 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.05 61.92 3gkf n THR 65 Cb 0.42 -0.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 3gkf n THR 65 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3gkf s THR 66 N -2.32 2.36 0.00 12.58 2.01 -1.26 -1.05 115.64 127.96 3gkf s THR 66 Ca 0.66 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.81 3gkf s THR 66 Cb -0.26 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3gkf s THR 66 CO 0.58 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 3gkf n GLY 67 N 4.01 2.26 0.96 4.40 0.00 -1.26 -4.80 105.19 110.77 3gkf n GLY 67 Ca 0.16 0.00 0.08 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 3.78 -0.05 0.99 4.77 -0.22 -4.66 117.00 121.61 3gkf n LEU 68 Ca 0.00 -2.57 -0.09 0.00 -0.03 0.00 0.00 56.01 53.33 3gkf n LEU 68 Cb 0.00 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 3gkf n LEU 68 CO 0.00 0.72 0.92 -0.33 -1.33 0.00 0.00 177.39 177.37 3gkf h GLU 69 N 2.35 0.19 -3.05 3.23 3.07 -1.80 -3.35 114.58 115.23 3gkf h GLU 69 Ca 0.00 -0.01 -0.61 0.00 -0.50 0.00 0.00 59.36 58.24 3gkf h GLU 69 Cb 1.22 -0.04 -0.40 0.00 -0.84 0.00 0.00 28.75 28.69 3gkf h GLU 69 CO 0.16 0.13 -0.74 1.03 -1.40 0.00 0.00 179.01 178.19 3gkf s ARG 70 N -6.18 1.24 0.25 2.33 1.81 -1.26 -4.95 118.95 112.20 3gkf s ARG 70 Ca -0.13 -1.93 -0.03 0.00 -1.72 0.00 0.00 55.73 51.92 3gkf s ARG 70 Cb 0.10 -2.32 0.41 0.00 -0.45 0.00 0.00 34.95 32.69 3gkf s ARG 70 CO 0.69 -1.15 1.83 0.82 -0.68 0.00 0.00 175.30 176.82 3gkf h ILE 71 N 5.36 0.96 0.00 1.52 1.08 -1.89 -0.17 117.51 124.36 3gkf h ILE 71 Ca -0.02 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 3gkf h ILE 71 Cb 0.94 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3gkf h ILE 71 CO 0.48 0.16 -0.05 -2.24 -0.69 0.00 0.00 178.15 175.82 3gkf h ASP 72 N 0.90 0.00 0.00 1.72 2.03 -1.93 -0.60 116.42 118.54 3gkf h ASP 72 Ca 0.41 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.54 3gkf h ASP 72 Cb 0.32 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.79 3gkf h ASP 72 CO -0.23 0.05 -1.43 -0.38 -1.03 0.00 0.00 179.24 176.22 3gkf n ILE 73 N -3.90 1.22 0.12 4.15 5.41 -0.97 -4.29 119.36 121.11 3gkf n ILE 73 Ca -0.03 -0.04 -0.14 0.00 1.00 0.00 0.00 62.75 63.55 3gkf n ILE 73 Cb 0.14 -1.92 -0.08 0.00 -0.71 0.00 0.00 39.64 37.07 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 -0.69 -0.21 0.40 4.38 -1.24 -1.09 -3.36 115.58 113.78 3gkf h ASN 74 Ca -0.26 -0.02 -0.28 0.00 0.71 0.00 0.00 56.30 56.44 3gkf h ASN 74 Cb 1.08 0.05 -0.05 0.00 0.73 0.00 0.00 38.32 40.14 3gkf h ASN 74 CO -0.16 -0.11 -1.83 -0.38 -1.29 0.00 0.00 177.43 173.66 3gkf n ILE 75 N -5.18 1.44 -0.25 2.57 2.08 -0.36 -4.35 119.36 115.31 3gkf n ILE 75 Ca -0.09 -0.79 0.05 0.00 0.56 0.00 0.00 62.75 62.48 3gkf n ILE 75 Cb 0.13 -0.82 0.16 0.00 -0.75 0.00 0.00 39.64 38.36 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 1.10 0.79 -0.01 -1.39 0.00 -1.36 0.47 119.26 118.86 3gkf h ALA 76 Ca -0.32 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3gkf h ALA 76 Cb 1.97 0.39 -0.00 0.00 0.00 0.00 0.00 17.79 20.15 3gkf h ALA 76 CO 0.06 -0.41 0.01 -1.00 0.00 0.00 0.00 179.25 177.91 3gkf h PRO 77 N 0.12 0.00 0.00 0.00 0.13 -1.76 -3.04 132.00 127.45 3gkf h PRO 77 Ca 0.41 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.46 3gkf h PRO 77 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 3gkf h PRO 77 CO -0.64 0.00 -0.37 -0.07 -0.23 0.00 0.00 178.00 176.70 3gkf h LEU 78 N 0.00 0.00 -0.37 1.56 3.38 -0.28 -3.38 115.31 116.21 3gkf h LEU 78 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3gkf h LEU 78 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3gkf h LEU 78 CO -0.00 0.37 0.11 -0.26 0.09 0.00 0.00 178.44 178.75 3gkf h PHE 79 N 0.00 0.20 -0.00 1.13 0.04 -1.54 -2.39 116.94 114.38 3gkf h PHE 79 Ca -0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 3gkf h PHE 79 Cb 1.10 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.22 3gkf h PHE 79 CO 0.00 0.07 0.03 1.05 -0.60 0.00 0.00 178.31 178.85 3gkf h GLU 80 N 0.26 0.00 -0.67 1.51 4.11 -1.82 -1.40 114.58 116.57 3gkf h GLU 80 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 3gkf h GLU 80 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3gkf h GLU 80 CO -0.19 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.61 3gkf n HIS 81 N -3.17 1.53 -4.23 2.06 8.25 -0.90 -4.90 115.22 113.86 3gkf n HIS 81 Ca -0.03 -0.61 -0.28 0.00 -0.26 0.00 0.00 57.72 56.54 3gkf n HIS 81 Cb 0.10 -0.25 -0.09 0.00 1.12 0.00 0.00 29.99 30.87 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 -1.86 3.03 0.01 -1.41 0.00 -0.53 -4.88 121.76 116.12 3gkf s ALA 82 Ca 0.52 -1.34 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 3gkf s ALA 82 Cb 0.34 -0.88 -0.33 0.00 0.00 0.00 0.00 23.12 22.24 3gkf s ALA 82 CO 0.25 0.55 0.99 -0.44 0.00 0.00 0.00 175.76 177.11 3gkf h ASP 83 N 3.16 0.75 -4.28 0.00 3.32 -1.02 -3.47 116.42 114.87 3gkf h ASP 83 Ca -0.48 -0.91 -0.17 0.00 0.02 0.00 0.00 57.03 55.49 3gkf h ASP 83 Cb 1.19 -0.24 -0.24 0.00 0.22 0.00 0.00 39.33 40.26 3gkf h ASP 83 CO 0.55 1.60 -0.53 0.54 -1.72 0.00 0.00 179.24 179.68 3gkf s VAL 84 N -2.63 0.04 0.06 -1.35 0.11 -1.04 -4.17 120.40 111.42 3gkf s VAL 84 Ca -0.10 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 3gkf s VAL 84 Cb 0.03 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 3gkf s VAL 84 CO 0.91 -0.16 0.18 -0.76 -3.33 0.00 0.00 175.10 171.94 3gkf s LEU 85 N -0.53 4.26 -0.12 2.54 1.43 0.31 -1.13 118.68 125.43 3gkf s LEU 85 Ca -0.06 0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.24 3gkf s LEU 85 Cb -0.04 -2.85 0.04 0.00 0.03 0.00 0.00 46.19 43.37 3gkf s LEU 85 CO 0.01 0.18 0.01 -0.32 0.23 0.00 0.00 176.35 176.45 3gkf s MET 86 N -2.45 0.67 0.36 1.70 -2.45 -0.75 -0.17 119.30 116.21 3gkf s MET 86 Ca 0.33 -0.13 -0.04 0.00 -1.25 0.00 0.00 55.69 54.61 3gkf s MET 86 Cb -0.13 -1.48 0.01 0.00 1.25 0.00 0.00 34.83 34.49 3gkf s MET 86 CO 0.26 -0.44 0.54 0.00 1.05 0.00 0.00 175.02 176.43 3gkf s THR 88 N -2.81 4.04 0.34 0.00 -4.23 -1.26 -1.39 115.64 110.33 3gkf s THR 88 Ca 0.28 0.66 0.13 0.00 -1.18 0.00 0.00 61.69 61.59 3gkf s THR 88 Cb -0.01 -3.55 0.09 0.00 1.34 0.00 0.00 72.50 70.36 3gkf s THR 88 CO 0.20 -0.87 1.80 0.08 -0.54 0.00 0.00 174.62 175.29 3gkf h ARG 89 N -0.61 0.00 0.30 3.99 0.11 -1.97 -0.61 114.38 115.59 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 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3gkf h ARG 89 CO 0.61 0.40 -0.14 0.78 0.10 0.00 0.00 179.97 181.71 3gkf h GLY 90 N 1.28 -0.42 1.02 0.08 0.00 -1.96 -1.94 103.07 101.13 3gkf h GLY 90 Ca -0.00 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3gkf h GLY 90 CO 0.05 -0.15 0.35 -2.22 0.00 0.00 0.00 176.54 174.57 3gkf h ILE 91 N -0.66 1.24 -0.30 2.60 1.08 -1.92 -2.40 117.51 117.15 3gkf h ILE 91 Ca -0.04 -0.68 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 3gkf h ILE 91 Cb 0.46 0.32 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 3gkf h ILE 91 CO 0.07 0.29 0.10 0.25 -0.69 0.00 0.00 178.15 178.17 3gkf h LEU 92 N 1.04 0.12 -0.28 1.44 5.85 -1.06 0.30 115.31 122.71 3gkf h LEU 92 Ca 0.25 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.92 3gkf h LEU 92 Cb 0.13 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3gkf h LEU 92 CO -0.03 0.10 -0.16 0.03 -0.34 0.00 0.00 178.44 178.04 3gkf h ARG 93 N 0.24 0.61 -0.20 1.25 3.08 -1.17 -2.87 114.38 115.31 3gkf h ARG 93 Ca 0.14 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.74 3gkf h ARG 93 Cb 0.10 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3gkf h ARG 93 CO -0.14 0.86 -0.51 0.66 -1.07 0.00 0.00 179.97 179.77 3gkf h SER 94 N 0.35 0.79 0.00 7.04 4.64 -1.15 -3.41 113.55 121.82 3gkf h SER 94 Ca 0.06 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3gkf h SER 94 Cb 0.69 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3gkf h SER 94 CO 0.05 1.23 0.00 1.33 -0.87 0.00 0.00 176.83 178.56 3gkf n VAL 95 N -4.14 0.16 -3.86 0.95 0.24 0.07 -4.98 118.33 106.77 3gkf n VAL 95 Ca -0.06 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.34 61.68 3gkf n VAL 95 Cb 0.60 1.17 -0.11 0.00 -1.47 0.00 0.00 33.84 34.04 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 -0.16 4.68 0.07 3.34 1.01 -1.08 -4.68 120.40 123.57 3gkf s VAL 96 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3gkf s VAL 96 Cb 0.00 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3gkf s VAL 96 CO 0.00 0.39 1.09 -2.84 0.00 0.00 0.00 175.10 173.73 3gkf s PRO 97 N 1.02 4.53 0.40 2.72 0.02 -1.26 -4.73 135.00 137.70 3gkf s PRO 97 Ca 0.05 1.62 0.16 0.00 0.02 0.00 0.00 61.00 62.84 3gkf s PRO 97 Cb -0.14 -3.37 1.03 0.00 0.02 0.00 0.00 34.50 32.03 3gkf s PRO 97 CO 0.03 -0.08 1.85 -1.35 -0.33 0.00 0.00 177.00 177.12 3gkf h PRO 98 N 6.35 0.45 0.00 5.54 0.11 -1.95 0.12 132.00 142.62 3gkf h PRO 98 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gkf h PRO 98 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gkf h PRO 98 CO 0.77 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.86 3gkf n ALA 99 N -2.49 2.17 0.28 -0.75 0.00 -1.26 -2.33 120.51 116.13 3gkf n ALA 99 Ca 0.20 -0.11 0.18 0.00 0.00 0.00 0.00 53.44 53.71 3gkf n ALA 99 Cb 0.67 -1.34 0.94 0.00 0.00 0.00 0.00 19.45 19.72 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 0.23 -6.51 0.00 2.02 -1.14 -3.45 112.91 104.06 3gkf h THR 100 Ca 0.00 0.00 -0.52 0.00 0.77 0.00 0.00 66.41 66.66 3gkf h THR 100 Cb 0.11 0.84 -0.16 0.00 -1.74 0.00 0.00 68.15 67.21 3gkf h THR 100 CO 0.00 0.00 -0.78 -3.20 0.37 0.00 0.00 175.52 171.91 3gkf n ASN 101 N -3.38 -3.69 -4.36 4.18 5.15 -0.98 -4.87 115.26 107.30 3gkf n ASN 101 Ca -0.01 -0.89 -0.30 0.00 -0.60 0.00 0.00 54.58 52.79 3gkf n ASN 101 Cb 0.26 -3.00 -0.14 0.00 -0.53 0.00 0.00 39.78 36.37 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 -6.77 1.67 0.39 1.20 6.06 -1.26 -5.11 118.95 115.14 3gkf s ARG 102 Ca 0.70 -1.19 -0.27 0.00 -2.50 0.00 0.00 55.73 52.47 3gkf s ARG 102 Cb -0.37 -1.96 -0.09 0.00 0.06 0.00 0.00 34.95 32.58 3gkf s ARG 102 CO 0.86 0.49 1.37 -2.14 -2.50 0.00 0.00 175.30 173.38 3gkf s PRO 103 N -1.53 4.03 0.11 5.12 0.02 -1.26 -4.82 135.00 136.67 3gkf s PRO 103 Ca 0.13 2.32 0.10 0.00 0.02 0.00 0.00 61.00 63.57 3gkf s PRO 103 Cb -0.10 -2.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.53 3gkf s PRO 103 CO 0.04 -0.50 -0.26 0.14 -0.33 0.00 0.00 177.00 176.09 3gkf s VAL 104 N -1.19 2.17 -0.36 3.83 -7.23 -1.26 -0.53 120.40 115.84 3gkf s VAL 104 Ca 0.55 -1.67 -0.06 0.00 -1.81 0.00 0.00 61.98 59.00 3gkf s VAL 104 Cb -0.41 -1.91 0.06 0.00 0.56 0.00 0.00 36.38 34.67 3gkf s VAL 104 CO 0.55 0.12 0.13 -0.69 -0.31 0.00 0.00 175.10 174.89 3gkf s VAL 105 N -1.03 3.64 0.09 1.32 1.01 0.76 -0.87 120.40 125.32 3gkf s VAL 105 Ca 0.13 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.44 3gkf s VAL 105 Cb -0.10 -3.16 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 3gkf s VAL 105 CO 0.05 -0.30 1.30 -0.76 0.00 0.00 0.00 175.10 175.40 3gkf s LEU 106 N 1.34 4.37 -0.11 3.92 1.43 -0.10 -3.39 118.68 126.13 3gkf s LEU 106 Ca -0.00 2.18 -0.30 0.00 -1.03 0.00 0.00 54.13 54.99 3gkf s LEU 106 Cb -0.21 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 3gkf s LEU 106 CO 0.01 -0.57 1.26 -0.60 0.23 0.00 0.00 176.35 176.67 3gkf s ARG 107 N 1.12 4.28 -0.09 1.70 6.06 -0.49 0.09 118.95 131.62 3gkf s ARG 107 Ca 0.62 1.70 0.12 0.00 -2.50 0.00 0.00 55.73 55.67 3gkf s ARG 107 Cb -0.33 -3.68 0.19 0.00 0.06 0.00 0.00 34.95 31.18 3gkf s ARG 107 CO 0.30 -0.61 1.09 0.00 -2.50 0.00 0.00 175.30 173.58 3gkf n ALA 108 N 6.03 2.16 -2.54 6.12 0.00 0.45 -4.54 120.51 128.19 3gkf n ALA 108 Ca 0.13 -2.06 -0.26 0.00 0.00 0.00 0.00 53.44 51.25 3gkf n ALA 108 Cb 0.45 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.22 3.99 0.00 0.00 1.04 -1.21 0.13 113.70 115.43 3gkf s SER 109 Ca 0.21 -1.14 0.00 0.00 0.48 0.00 0.00 55.95 55.50 3gkf s SER 109 Cb 0.18 -0.44 0.00 0.00 0.10 0.00 0.00 66.02 65.87 3gkf s SER 109 CO 0.02 -0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.56 3gkf n GLY 110 N -0.92 -0.67 2.13 7.32 0.00 -0.64 -4.62 105.19 107.79 3gkf n GLY 110 Ca -0.04 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3gkf n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 111 N 0.00 0.00 -2.56 4.61 0.00 -1.26 -0.61 120.51 120.69 3gkf n ALA 111 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3gkf n ALA 111 Cb 0.00 -0.02 -0.04 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 -2.11 5.32 0.22 0.00 4.22 -1.23 -4.79 114.94 116.58 3gkf s ASN 112 Ca 0.00 -0.46 0.03 0.00 -2.14 0.00 0.00 52.86 50.30 3gkf s ASN 112 Cb 0.00 -1.05 -0.05 0.00 1.28 0.00 0.00 41.25 41.43 3gkf s ASN 112 CO 0.00 -0.30 -0.01 -0.44 -2.04 0.00 0.00 177.10 174.32 3gkf s SER 113 N -3.97 1.78 0.00 3.54 0.01 -1.26 -4.42 113.70 109.38 3gkf s SER 113 Ca 0.39 -1.21 0.24 0.00 1.31 0.00 0.00 55.95 56.69 3gkf s SER 113 Cb -0.06 0.02 1.35 0.00 0.21 0.00 0.00 66.02 67.53 3gkf s SER 113 CO 0.26 -0.51 1.80 2.30 0.41 0.00 0.00 173.24 177.51 3gkf n ILE 114 N -0.40 0.11 1.25 1.44 -5.35 -0.70 -2.91 119.36 112.81 3gkf n ILE 114 Ca -0.05 0.03 0.13 0.00 -0.27 0.00 0.00 62.75 62.58 3gkf n ILE 114 Cb 0.64 -0.64 0.33 0.00 -1.74 0.00 0.00 39.64 38.22 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 -1.12 1.56 0.00 7.28 4.77 -1.26 -4.95 117.00 123.28 3gkf n LEU 115 Ca 0.15 -0.50 -0.05 0.00 -0.03 0.00 0.00 56.01 55.58 3gkf n LEU 115 Cb 0.13 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.15 3gkf n LEU 115 CO 0.16 0.28 0.03 0.00 -1.33 0.00 0.00 177.39 176.52 3gkf n ALA 116 N -0.07 -0.02 -1.69 -1.18 0.00 -1.15 -5.10 120.51 111.31 3gkf n ALA 116 Ca 0.14 -0.52 -0.44 0.00 0.00 0.00 0.00 53.44 52.61 3gkf n ALA 116 Cb 0.40 0.42 -0.04 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.18 2.39 -0.17 0.00 4.07 -1.26 -4.68 120.64 120.80 3gkf n GLU 117 Ca 0.01 0.86 -0.10 0.00 -0.06 0.00 0.00 57.16 57.87 3gkf n GLU 117 Cb 0.18 -2.66 0.01 0.00 -0.06 0.00 0.00 31.44 28.92 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 6.17 1.03 0.00 4.31 5.85 -1.96 -3.07 115.31 127.63 3gkf h LEU 118 Ca -0.44 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 57.92 3gkf h LEU 118 Cb 1.23 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3gkf h LEU 118 CO 0.91 1.16 0.00 -1.54 -0.34 0.00 0.00 178.44 178.62 3gkf n SER 119 N -4.13 0.00 -4.21 1.25 3.41 -1.26 -4.55 113.62 104.13 3gkf n SER 119 Ca 0.01 -0.78 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 3gkf n SER 119 Cb 0.42 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 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 -1.00 4.65 -4.56 4.04 5.15 -1.16 -4.56 115.26 117.81 3gkf n ASN 120 Ca 0.19 -2.92 -0.27 0.00 -0.60 0.00 0.00 54.58 50.97 3gkf n ASN 120 Cb 0.09 -1.67 -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 3.09 2.03 0.26 1.20 2.02 -1.26 -3.48 118.70 122.56 3gkf s GLU 121 Ca 0.49 -1.26 0.03 0.00 0.02 0.00 0.00 54.97 54.25 3gkf s GLU 121 Cb 0.07 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 3gkf s GLU 121 CO 0.01 0.44 0.04 0.00 0.02 0.00 0.00 175.26 175.77 3gkf s ALA 122 N -1.64 1.90 0.18 5.21 0.00 0.22 -4.72 121.76 122.92 3gkf s ALA 122 Ca 0.24 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.03 3gkf s ALA 122 Cb -0.09 0.70 -0.09 0.00 0.00 0.00 0.00 23.12 23.64 3gkf s ALA 122 CO 0.15 -0.33 1.45 0.08 0.00 0.00 0.00 175.76 177.11 3gkf s VAL 123 N -3.50 2.87 -1.95 0.00 1.01 -1.26 -1.62 120.40 115.95 3gkf s VAL 123 Ca 0.33 0.67 0.16 0.00 0.00 0.00 0.00 61.98 63.14 3gkf s VAL 123 Cb 0.07 -3.43 0.13 0.00 0.00 0.00 0.00 36.38 33.15 3gkf s VAL 123 CO 0.12 0.08 1.00 0.00 0.00 0.00 0.00 175.10 176.30 3gkf n ALA 124 N 3.29 2.47 -3.48 5.51 0.00 0.35 -4.84 120.51 123.81 3gkf n ALA 124 Ca 0.10 -0.63 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 3gkf n ALA 124 Cb 0.40 -0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.54 0.40 0.00 0.05 -1.25 -4.93 118.68 111.10 3gkf s LEU 125 Ca 0.19 0.23 -0.20 0.00 0.05 0.00 0.00 54.13 54.39 3gkf s LEU 125 Cb 0.13 2.41 -0.11 0.00 -2.05 0.00 0.00 46.19 46.58 3gkf s LEU 125 CO 0.20 -0.75 0.91 -0.94 -0.55 0.00 0.00 176.35 175.21 3gkf s SER 126 N -2.14 6.94 0.49 1.48 1.04 -1.26 -4.93 113.70 115.33 3gkf s SER 126 Ca -0.02 1.62 0.14 0.00 0.48 0.00 0.00 55.95 58.17 3gkf s SER 126 Cb -0.01 -2.51 1.16 0.00 0.10 0.00 0.00 66.02 64.76 3gkf s SER 126 CO -0.05 -0.30 2.12 -0.03 0.98 0.00 0.00 173.24 175.96 3gkf h MET 127 N 2.09 0.15 -0.46 4.02 4.05 -1.97 -0.67 114.93 122.13 3gkf h MET 127 Ca -0.49 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.01 3gkf h MET 127 Cb 1.18 -0.03 -0.10 0.00 -0.80 0.00 0.00 31.60 31.85 3gkf h MET 127 CO 0.62 0.10 -0.31 0.22 0.23 0.00 0.00 176.91 177.77 3gkf h ASP 128 N 0.16 -1.05 0.00 1.39 3.58 -1.97 0.32 116.42 118.85 3gkf h ASP 128 Ca 0.05 0.20 -0.17 0.00 0.42 0.00 0.00 57.03 57.53 3gkf h ASP 128 Cb 0.01 0.51 -0.00 0.00 1.72 0.00 0.00 39.33 41.57 3gkf h ASP 128 CO -0.01 -0.30 -0.57 -0.78 -2.88 0.00 0.00 179.24 174.69 3gkf h ASP 129 N -0.21 0.66 -1.00 2.28 3.58 -1.55 -0.19 116.42 120.00 3gkf h ASP 129 Ca 0.20 -0.36 0.03 0.00 0.42 0.00 0.00 57.03 57.32 3gkf h ASP 129 Cb 0.53 -0.19 -0.06 0.00 1.72 0.00 0.00 39.33 41.33 3gkf h ASP 129 CO -0.58 1.09 0.66 0.00 -2.88 0.00 0.00 179.24 177.53 3gkf h ALA 130 N 0.92 1.32 -0.18 -0.78 0.00 -0.32 0.21 119.26 120.42 3gkf h ALA 130 Ca 0.00 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 130 Cb 1.13 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3gkf h ALA 130 CO 0.11 0.57 -0.56 0.28 0.00 0.00 0.00 179.25 179.65 3gkf h VAL 131 N 1.28 1.32 -0.06 0.00 2.07 -0.16 -2.01 116.25 118.69 3gkf h VAL 131 Ca 0.39 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 3gkf h VAL 131 Cb -0.03 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3gkf h VAL 131 CO -0.12 0.57 -0.09 -0.09 0.02 0.00 0.00 177.57 177.86 3gkf h ARG 132 N 0.43 0.09 -0.47 1.57 2.43 0.93 -1.99 114.38 117.37 3gkf h ARG 132 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3gkf h ARG 132 Cb 1.11 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3gkf h ARG 132 CO 0.11 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 3gkf n LEU 133 N -4.38 2.69 -3.51 3.80 4.77 0.52 -4.94 117.00 115.95 3gkf n LEU 133 Ca -0.02 -1.31 -0.21 0.00 -0.03 0.00 0.00 56.01 54.44 3gkf n LEU 133 Cb 0.19 -0.31 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 3gkf n LEU 133 CO 0.36 0.66 0.19 -3.20 -1.33 0.00 0.00 177.39 174.06 3gkf n ASN 134 N 0.97 -4.51 -4.82 -1.43 5.15 -0.75 -4.95 115.26 104.92 3gkf n ASN 134 Ca 0.17 -0.57 -0.32 0.00 -0.60 0.00 0.00 54.58 53.26 3gkf n ASN 134 Cb 0.44 -5.04 0.01 0.00 -0.53 0.00 0.00 39.78 34.65 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 -3.76 5.95 0.12 1.20 0.01 -0.92 -4.77 113.70 111.53 3gkf s SER 135 Ca 0.33 1.68 0.21 0.00 1.31 0.00 0.00 55.95 59.49 3gkf s SER 135 Cb -0.15 -2.51 -0.11 0.00 0.21 0.00 0.00 66.02 63.46 3gkf s SER 135 CO 0.72 -1.05 0.85 0.00 0.41 0.00 0.00 173.24 174.17 3gkf s ALA 137 N -3.32 -1.87 0.03 0.00 0.00 -1.22 -4.08 121.76 111.31 3gkf s ALA 137 Ca -0.03 0.76 0.07 0.00 0.00 0.00 0.00 51.96 52.76 3gkf s ALA 137 Cb 0.10 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 3gkf s ALA 137 CO 0.82 -0.85 -0.22 0.14 0.00 0.00 0.00 175.76 175.66 3gkf s VAL 138 N -2.97 1.75 0.03 0.00 -7.23 -0.78 -0.93 120.40 110.27 3gkf s VAL 138 Ca 0.09 -1.18 0.06 0.00 -1.81 0.00 0.00 61.98 59.15 3gkf s VAL 138 Cb -0.00 -1.50 -0.02 0.00 0.56 0.00 0.00 36.38 35.41 3gkf s VAL 138 CO -0.04 0.28 -0.17 0.00 -0.31 0.00 0.00 175.10 174.86 3gkf s ALA 139 N -0.75 1.47 0.09 1.32 0.00 0.11 -0.13 121.76 123.88 3gkf s ALA 139 Ca 0.08 -0.90 -0.06 0.00 0.00 0.00 0.00 51.96 51.09 3gkf s ALA 139 Cb -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3gkf s ALA 139 CO 0.01 0.32 0.13 0.00 0.00 0.00 0.00 175.76 176.22 3gkf s ALA 140 N -0.72 0.13 -0.01 0.00 0.00 -0.40 0.17 121.76 120.93 3gkf s ALA 140 Ca 0.05 -0.91 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 3gkf s ALA 140 Cb -0.08 0.52 -0.05 0.00 0.00 0.00 0.00 23.12 23.51 3gkf s ALA 140 CO 0.01 -0.49 0.37 -0.65 0.00 0.00 0.00 175.76 175.00 3gkf s GLN 141 N -3.91 3.84 -0.06 0.00 -1.52 -1.26 -0.53 119.66 116.22 3gkf s GLN 141 Ca 0.09 0.32 0.03 0.00 -1.95 0.00 0.00 55.36 53.85 3gkf s GLN 141 Cb 0.06 -3.20 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 3gkf s GLN 141 CO -0.08 0.70 -0.13 0.54 -0.25 0.00 0.00 175.29 176.07 3gkf s VAL 142 N -1.10 3.17 -0.61 1.09 0.11 0.13 -4.77 120.40 118.42 3gkf s VAL 142 Ca 0.23 -0.68 0.06 0.00 -2.93 0.00 0.00 61.98 58.66 3gkf s VAL 142 Cb -0.16 -2.26 0.23 0.00 -1.53 0.00 0.00 36.38 32.66 3gkf s VAL 142 CO 0.12 0.58 0.64 -1.22 -3.33 0.00 0.00 175.10 171.90 3gkf n TYR 143 N 2.44 2.81 -1.76 1.54 4.01 -1.26 -1.03 117.16 123.91 3gkf n TYR 143 Ca -0.17 -4.08 -0.41 0.00 -0.16 0.00 0.00 57.90 53.08 3gkf n TYR 143 Cb 0.52 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 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 1.29 1.66 0.00 -0.72 2.08 -1.26 -2.00 119.36 120.40 3gkf n ILE 144 Ca 0.26 -0.41 0.00 0.00 0.56 0.00 0.00 62.75 63.16 3gkf n ILE 144 Cb 0.41 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.35 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 1.06 2.72 3.95 7.39 0.00 -1.26 -4.94 105.19 114.11 3gkf n GLY 145 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.51 4.69 0.28 1.61 0.01 -0.85 -4.98 113.70 111.95 3gkf s SER 146 Ca 0.00 0.23 -0.03 0.00 1.31 0.00 0.00 55.95 57.46 3gkf s SER 146 Cb 0.00 -0.83 0.38 0.00 0.21 0.00 0.00 66.02 65.78 3gkf s SER 146 CO 0.00 -1.64 1.88 -0.08 0.41 0.00 0.00 173.24 173.81 3gkf h GLU 147 N -0.54 1.01 -0.86 12.44 4.81 -1.94 -2.79 114.58 126.71 3gkf h GLU 147 Ca -0.43 -0.13 -0.54 0.00 -0.13 0.00 0.00 59.36 58.13 3gkf h GLU 147 Cb 1.30 -0.19 -0.29 0.00 0.63 0.00 0.00 28.75 30.20 3gkf h GLU 147 CO 0.54 0.77 0.40 0.66 -0.73 0.00 0.00 179.01 180.65 3gkf n TYR 148 N -4.34 2.78 0.18 0.92 4.01 -1.26 -4.68 117.16 114.77 3gkf n TYR 148 Ca 0.07 -2.41 0.04 0.00 -0.16 0.00 0.00 57.90 55.44 3gkf n TYR 148 Cb 0.13 -1.01 0.46 0.00 -0.31 0.00 0.00 39.34 38.61 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 1.65 0.10 0.15 -0.72 4.81 -1.62 -1.70 114.58 117.25 3gkf h GLU 149 Ca 0.52 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 3gkf h GLU 149 Cb 1.53 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.89 3gkf h GLU 149 CO 1.16 0.25 -0.07 1.25 -0.73 0.00 0.00 179.01 180.87 3gkf h HIS 150 N 0.10 -0.18 -0.96 0.92 2.76 -1.87 -2.39 115.15 113.54 3gkf h HIS 150 Ca 0.02 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.28 3gkf h HIS 150 Cb 0.32 0.06 -0.07 0.00 1.55 0.00 0.00 27.41 29.27 3gkf h HIS 150 CO 0.00 0.18 0.62 0.37 -1.30 0.00 0.00 177.93 177.80 3gkf h GLN 151 N -0.57 0.99 -0.86 5.26 5.75 -1.91 -1.21 115.11 122.56 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 0.44 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.73 3gkf h GLN 151 CO 0.03 0.65 0.44 0.66 -2.65 0.00 0.00 178.83 177.97 3gkf h SER 152 N 1.01 1.09 -0.17 -0.69 4.64 -1.03 0.71 113.55 119.11 3gkf h SER 152 Ca 0.44 -0.11 -0.19 0.00 -0.47 0.00 0.00 61.79 61.46 3gkf h SER 152 Cb 0.35 -0.28 0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3gkf h SER 152 CO -0.20 0.90 -0.62 0.40 -0.87 0.00 0.00 176.83 176.43 3gkf h ILE 153 N 1.21 1.30 -0.92 0.95 2.04 -0.88 -2.59 117.51 118.63 3gkf h ILE 153 Ca 0.30 -1.85 0.13 0.00 1.00 0.00 0.00 64.86 64.44 3gkf h ILE 153 Cb 0.07 1.97 -0.07 0.00 -0.74 0.00 0.00 36.82 38.04 3gkf h ILE 153 CO -0.04 0.58 0.59 0.11 0.00 0.00 0.00 178.15 179.38 3gkf h LYS 154 N 0.42 0.78 -0.41 2.37 1.57 -0.77 0.14 116.57 120.67 3gkf h LYS 154 Ca -0.03 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3gkf h LYS 154 Cb 1.25 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 3gkf h LYS 154 CO 0.13 0.52 0.27 -0.91 -0.57 0.00 0.00 179.45 178.88 3gkf h ASN 155 N 0.80 0.46 -0.45 0.86 2.35 -0.49 0.47 115.58 119.58 3gkf h ASN 155 Ca 0.45 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.18 3gkf h ASN 155 Cb 0.60 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 3gkf h ASN 155 CO -0.22 0.33 0.24 0.40 -1.65 0.00 0.00 177.43 176.53 3gkf h ILE 156 N 0.55 1.17 -0.25 2.81 1.08 -0.67 -1.97 117.51 120.23 3gkf h ILE 156 Ca 0.15 -0.44 0.05 0.00 -0.39 0.00 0.00 64.86 64.23 3gkf h ILE 156 Cb -0.05 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 34.30 3gkf h ILE 156 CO -0.04 0.18 -0.04 0.40 -0.69 0.00 0.00 178.15 177.95 3gkf h ILE 157 N 0.58 0.78 -0.15 -0.67 2.04 -0.35 0.18 117.51 119.92 3gkf h ILE 157 Ca 0.16 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 65.94 3gkf h ILE 157 Cb 0.07 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3gkf h ILE 157 CO -0.02 0.00 -0.23 -0.61 0.00 0.00 0.00 178.15 177.29 3gkf h GLN 158 N 0.02 0.27 -0.24 2.37 4.15 -0.66 -0.18 115.11 120.84 3gkf h GLN 158 Ca 0.12 -0.08 -0.17 0.00 0.77 0.00 0.00 58.65 59.28 3gkf h GLN 158 Cb 0.17 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.83 3gkf h GLN 158 CO -0.23 0.49 -0.55 -0.07 -1.93 0.00 0.00 178.83 176.53 3gkf h LEU 159 N 0.24 0.79 -0.65 -2.39 3.38 -0.50 -2.55 115.31 113.65 3gkf h LEU 159 Ca 0.04 -0.43 -0.13 0.00 0.09 0.00 0.00 57.88 57.45 3gkf h LEU 159 Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3gkf h LEU 159 CO 0.04 1.18 -0.36 0.58 0.09 0.00 0.00 178.44 179.97 3gkf h VAL 160 N 0.55 1.29 -0.58 1.22 2.07 -0.18 0.31 116.25 120.92 3gkf h VAL 160 Ca 0.01 -1.51 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 3gkf h VAL 160 Cb 1.12 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.32 3gkf h VAL 160 CO 0.11 0.49 0.36 0.44 0.02 0.00 0.00 177.57 178.99 3gkf h ASP 161 N 0.55 0.69 -0.20 0.57 3.32 -0.94 -0.77 116.42 119.65 3gkf h ASP 161 Ca 0.05 -0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 3gkf h ASP 161 Cb 0.87 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 40.25 3gkf h ASP 161 CO 0.08 0.54 -0.69 0.00 -1.72 0.00 0.00 179.24 177.45 3gkf h ALA 162 N 1.18 0.38 -0.33 3.45 0.00 -1.14 -3.25 119.26 119.54 3gkf h ALA 162 Ca 0.21 -0.57 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3gkf h ALA 162 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3gkf h ALA 162 CO -0.04 0.68 -0.15 0.78 0.00 0.00 0.00 179.25 180.52 3gkf h GLY 163 N 0.62 0.64 1.84 0.00 0.00 -0.03 -2.77 103.07 103.36 3gkf h GLY 163 Ca -0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 3gkf h GLY 163 CO 0.15 0.44 -0.16 -0.33 0.00 0.00 0.00 176.54 176.63 3gkf h MET 164 N 0.54 0.20 0.00 4.80 2.07 -1.19 0.76 114.93 122.11 3gkf h MET 164 Ca 0.09 -0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.65 3gkf h MET 164 Cb 0.57 -0.03 -0.00 0.00 -1.87 0.00 0.00 31.60 30.27 3gkf h MET 164 CO 0.04 0.37 -0.13 0.87 1.07 0.00 0.00 176.91 179.13 3gkf h LYS 165 N 0.19 0.00 0.00 1.72 1.57 -1.53 -3.34 116.57 115.17 3gkf h LYS 165 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3gkf h LYS 165 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gkf h LYS 165 CO 0.03 0.13 0.00 1.55 -0.57 0.00 0.00 179.45 180.58 3gkf n VAL 166 N -3.39 0.00 -0.49 0.50 3.14 0.06 -5.01 118.33 113.14 3gkf n VAL 166 Ca -0.01 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 3gkf n VAL 166 Cb 0.31 1.32 0.00 0.00 -1.06 0.00 0.00 33.84 34.41 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 0.16 0.73 3.59 7.55 0.00 0.24 -4.97 105.19 112.49 3gkf n GLY 167 Ca 0.00 -0.23 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.71 3.91 0.60 1.61 0.00 -0.41 -3.89 119.30 120.41 3gkf s MET 168 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 55.69 55.43 3gkf s MET 168 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 34.83 31.11 3gkf s MET 168 CO 0.00 -0.33 1.09 -2.14 0.00 0.00 0.00 175.02 173.64 3gkf s PRO 169 N 2.03 3.19 -0.08 4.11 0.02 -1.26 -4.32 135.00 138.69 3gkf s PRO 169 Ca 0.13 1.37 0.05 0.00 0.02 0.00 0.00 61.00 62.57 3gkf s PRO 169 Cb -0.16 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.35 3gkf s PRO 169 CO 0.11 -0.94 -0.23 0.99 -0.33 0.00 0.00 177.00 176.60 3gkf s THR 170 N -2.23 2.19 -0.22 0.99 2.01 -1.26 -1.86 115.64 115.26 3gkf s THR 170 Ca 0.67 -1.00 -0.07 0.00 0.31 0.00 0.00 61.69 61.61 3gkf s THR 170 Cb -0.19 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3gkf s THR 170 CO 0.35 0.56 0.05 -0.32 -0.69 0.00 0.00 174.62 174.57 3gkf s MET 171 N 0.06 3.70 -0.23 4.92 1.75 0.81 -1.06 119.30 129.26 3gkf s MET 171 Ca -0.10 -0.47 -0.10 0.00 -1.25 0.00 0.00 55.69 53.77 3gkf s MET 171 Cb -0.16 -3.23 -0.05 0.00 2.84 0.00 0.00 34.83 34.23 3gkf s MET 171 CO 0.06 -0.04 0.15 0.00 -0.65 0.00 0.00 175.02 174.54 3gkf s ALA 172 N 1.20 3.62 -0.13 4.11 0.00 -0.03 -1.28 121.76 129.26 3gkf s ALA 172 Ca 0.04 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 3gkf s ALA 172 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 3gkf s ALA 172 CO 0.03 -0.14 0.01 0.08 0.00 0.00 0.00 175.76 175.74 3gkf s VAL 173 N 0.95 4.32 -0.46 0.00 1.01 0.32 -0.99 120.40 125.55 3gkf s VAL 173 Ca 0.08 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.63 3gkf s VAL 173 Cb -0.13 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.40 3gkf s VAL 173 CO 0.03 0.54 0.69 0.42 0.00 0.00 0.00 175.10 176.78 3gkf s THR 174 N -0.20 4.77 0.13 3.92 -4.23 -0.76 0.20 115.64 119.48 3gkf s THR 174 Ca 0.05 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 3gkf s THR 174 Cb -0.12 -4.27 -0.05 0.00 1.34 0.00 0.00 72.50 69.40 3gkf s THR 174 CO 0.02 -0.70 0.33 -0.83 -0.54 0.00 0.00 174.62 172.91 3gkf s GLY 175 N 2.21 2.13 0.00 3.99 0.00 -0.20 -4.82 107.32 110.63 3gkf s GLY 175 Ca 0.23 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.25 3gkf s GLY 175 CO 0.18 -0.64 0.00 -0.62 0.00 0.00 0.00 173.10 172.02 3gkf n VAL 176 N -0.02 0.00 -2.29 1.40 0.31 -1.26 -4.39 118.33 112.08 3gkf n VAL 176 Ca -0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.26 3gkf n VAL 176 Cb 0.52 0.00 0.03 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 0.56 -4.02 5.55 0.63 -1.26 -5.07 116.66 113.05 3gkf n ARG 182 Ca 0.00 -0.84 -0.27 0.00 -0.92 0.00 0.00 57.85 55.83 3gkf n ARG 182 Cb 0.00 0.40 -0.03 0.00 0.45 0.00 0.00 32.46 33.29 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 -0.80 4.56 0.12 6.15 -4.77 -1.26 -4.98 116.67 115.69 3gkf s ASP 183 Ca 0.04 -1.26 -0.22 0.00 -3.30 0.00 0.00 52.55 47.80 3gkf s ASP 183 Cb 0.18 0.27 -0.06 0.00 -1.09 0.00 0.00 42.92 42.23 3gkf s ASP 183 CO -0.05 -0.98 1.69 -0.61 0.70 0.00 0.00 175.17 175.92 3gkf h GLN 184 N 0.93 -0.14 -1.01 2.11 -0.00 -1.92 -1.97 115.11 113.12 3gkf h GLN 184 Ca -0.39 0.01 0.19 0.00 -0.00 0.00 0.00 58.65 58.47 3gkf h GLN 184 Cb 1.30 0.03 -0.11 0.00 0.00 0.00 0.00 27.48 28.70 3gkf h GLN 184 CO 0.61 -0.10 0.61 0.07 0.00 0.00 0.00 178.83 180.03 3gkf h ARG 185 N -0.15 0.73 0.11 1.69 0.11 -1.94 0.16 114.38 115.09 3gkf h ARG 185 Ca 0.07 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 3gkf h ARG 185 Cb 0.24 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3gkf h ARG 185 CO -0.16 0.48 -0.05 -0.92 0.10 0.00 0.00 179.97 179.42 3gkf h TYR 186 N 0.75 -0.13 0.00 4.08 3.20 -1.78 -2.43 116.97 120.66 3gkf h TYR 186 Ca 0.59 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.41 3gkf h TYR 186 Cb 0.92 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.23 3gkf h TYR 186 CO -0.00 0.10 -0.21 0.74 -1.64 0.00 0.00 178.16 177.15 3gkf h PHE 187 N -0.36 0.00 0.39 -3.82 0.04 -0.68 -1.53 116.94 110.99 3gkf h PHE 187 Ca -0.01 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 3gkf h PHE 187 Cb 0.30 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 3gkf h PHE 187 CO -0.00 0.21 -0.21 0.77 -0.60 0.00 0.00 178.31 178.48 3gkf h SER 188 N 0.00 -0.51 0.02 2.17 0.02 -0.64 0.14 113.55 114.75 3gkf h SER 188 Ca -0.00 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3gkf h SER 188 Cb 0.53 0.14 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 3gkf h SER 188 CO 0.03 -0.34 -0.32 0.25 -1.14 0.00 0.00 176.83 175.30 3gkf h LEU 189 N -0.56 -0.95 -0.12 5.07 5.85 -0.89 -1.24 115.31 122.49 3gkf h LEU 189 Ca -0.05 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3gkf h LEU 189 Cb 0.44 0.38 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3gkf h LEU 189 CO 0.07 -0.39 0.05 0.00 -0.34 0.00 0.00 178.44 177.83 3gkf h ALA 190 N 0.24 0.15 -0.61 1.25 0.00 -1.24 -1.25 119.26 117.79 3gkf h ALA 190 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3gkf h ALA 190 Cb 0.56 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3gkf h ALA 190 CO -0.25 -0.27 0.36 1.79 0.00 0.00 0.00 179.25 180.88 3gkf h THR 191 N 0.04 1.18 -0.25 0.00 1.35 -0.65 -2.35 112.91 112.23 3gkf h THR 191 Ca 0.04 -0.43 -0.11 0.00 -0.55 0.00 0.00 66.41 65.36 3gkf h THR 191 Cb 0.16 0.37 -0.00 0.00 -1.73 0.00 0.00 68.15 66.95 3gkf h THR 191 CO -0.00 0.19 -0.28 -0.09 -0.25 0.00 0.00 175.52 175.09 3gkf h ARG 192 N 0.82 0.63 -0.07 4.72 9.65 -1.04 0.01 114.38 129.10 3gkf h ARG 192 Ca 0.22 -0.34 0.02 0.00 -1.10 0.00 0.00 59.98 58.77 3gkf h ARG 192 Cb 0.00 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.58 3gkf h ARG 192 CO -0.04 0.95 -0.05 0.82 2.80 0.00 0.00 179.97 184.45 3gkf h ILE 193 N 0.35 0.84 -0.61 1.20 2.04 -1.20 0.18 117.51 120.31 3gkf h ILE 193 Ca 0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.96 3gkf h ILE 193 Cb 0.84 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3gkf h ILE 193 CO 0.07 0.00 0.30 0.00 0.00 0.00 0.00 178.15 178.52 3gkf h ALA 194 N 1.01 0.80 -0.62 1.87 0.00 -1.19 0.11 119.26 121.24 3gkf h ALA 194 Ca 0.05 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3gkf h ALA 194 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3gkf h ALA 194 CO -0.11 -0.06 0.08 0.00 0.00 0.00 0.00 179.25 179.16 3gkf h ALA 195 N 1.35 0.83 -0.53 0.00 0.00 -0.49 -2.40 119.26 118.01 3gkf h ALA 195 Ca 0.28 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 195 Cb 0.23 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gkf h ALA 195 CO -0.21 0.61 0.08 1.49 0.00 0.00 0.00 179.25 181.22 3gkf h GLU 196 N 0.96 0.88 -0.61 0.00 4.57 -0.19 -1.66 114.58 118.52 3gkf h GLU 196 Ca 0.19 -0.24 0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3gkf h GLU 196 Cb 0.47 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.92 3gkf h GLU 196 CO 0.02 0.86 0.40 0.52 -1.18 0.00 0.00 179.01 179.63 3gkf h MET 197 N 0.77 0.52 0.00 1.92 2.86 -0.37 -3.45 114.93 117.16 3gkf h MET 197 Ca 0.16 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3gkf h MET 197 Cb 0.41 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3gkf h MET 197 CO 0.01 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.73 3gkf n GLY 198 N -1.49 -0.92 3.75 8.32 0.00 -0.63 -4.94 105.19 109.28 3gkf n GLY 198 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 3.57 -0.04 4.61 0.00 -0.99 -4.84 121.76 124.07 3gkf s ALA 199 Ca 0.00 1.28 0.12 0.00 0.00 0.00 0.00 51.96 53.36 3gkf s ALA 199 Cb 0.00 -3.52 -0.13 0.00 0.00 0.00 0.00 23.12 19.47 3gkf s ALA 199 CO 0.00 -0.69 1.09 1.96 0.00 0.00 0.00 175.76 178.12 3gkf h GLN 200 N 4.54 0.00 -5.17 0.00 7.50 -1.43 -3.42 115.11 117.13 3gkf h GLN 200 Ca -0.47 0.00 -0.60 0.00 0.50 0.00 0.00 58.65 58.08 3gkf h GLN 200 Cb 1.22 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.43 3gkf h GLN 200 CO 0.74 0.60 -0.85 0.42 -1.50 0.00 0.00 178.83 178.24 3gkf s ILE 201 N -2.80 1.60 -0.15 2.54 1.01 -0.78 -3.73 121.20 118.89 3gkf s ILE 201 Ca -0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3gkf s ILE 201 Cb 0.09 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 3gkf s ILE 201 CO 0.80 0.46 -0.03 -0.63 0.00 0.00 0.00 174.94 175.54 3gkf s ILE 202 N 0.29 3.97 -0.11 2.92 -1.09 -0.26 -0.85 121.20 126.06 3gkf s ILE 202 Ca -0.11 -0.34 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 3gkf s ILE 202 Cb -0.15 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 3gkf s ILE 202 CO 0.05 0.51 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.33 3gkf s LYS 203 N 0.18 3.14 0.25 2.79 2.20 -0.16 -0.30 119.74 127.84 3gkf s LYS 203 Ca -0.01 -0.79 -0.04 0.00 -0.36 0.00 0.00 55.97 54.76 3gkf s LYS 203 Cb -0.14 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.76 3gkf s LYS 203 CO 0.03 0.23 0.40 -2.37 -0.36 0.00 0.00 175.35 173.27 3gkf n THR 204 N 3.44 0.00 -3.81 3.43 5.66 0.10 -1.83 114.28 121.28 3gkf n THR 204 Ca -0.18 -1.00 -0.30 0.00 -3.05 0.00 0.00 64.05 59.51 3gkf n THR 204 Cb 0.53 0.71 -0.04 0.00 -1.55 0.00 0.00 70.33 69.98 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 -3.92 3.50 0.43 1.09 2.02 -1.26 0.45 117.35 119.65 3gkf s TYR 205 Ca 0.16 0.36 -0.21 0.00 -0.37 0.00 0.00 57.07 57.01 3gkf s TYR 205 Cb -0.02 -1.85 -0.10 0.00 -0.40 0.00 0.00 41.96 39.59 3gkf s TYR 205 CO 0.12 0.50 0.97 -0.47 -1.57 0.00 0.00 175.55 175.11 3gkf s TYR 206 N -1.62 3.26 -0.05 2.71 5.04 -1.26 -4.94 117.35 120.49 3gkf s TYR 206 Ca 0.37 1.61 0.02 0.00 -2.44 0.00 0.00 57.07 56.64 3gkf s TYR 206 Cb -0.12 -2.92 0.01 0.00 0.35 0.00 0.00 41.96 39.28 3gkf s TYR 206 CO 0.27 -0.28 -0.10 0.08 -1.34 0.00 0.00 175.55 174.18 3gkf s VAL 207 N -2.08 0.97 0.37 3.14 1.01 -1.26 -5.03 120.40 117.52 3gkf s VAL 207 Ca 0.62 -0.40 0.11 0.00 0.00 0.00 0.00 61.98 62.31 3gkf s VAL 207 Cb -0.12 -0.89 0.12 0.00 0.00 0.00 0.00 36.38 35.49 3gkf s VAL 207 CO 0.16 0.31 1.86 -0.33 0.00 0.00 0.00 175.10 177.10 3gkf h GLU 208 N 6.86 0.13 -5.06 2.72 5.08 -1.96 -3.34 114.58 119.00 3gkf h GLU 208 Ca -0.33 -0.04 -0.67 0.00 -1.00 0.00 0.00 59.36 57.32 3gkf h GLU 208 Cb 1.18 -0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.07 3gkf h GLU 208 CO 0.48 0.39 -0.85 0.21 -1.00 0.00 0.00 179.01 178.24 3gkf s LYS 209 N -4.44 3.02 0.00 2.33 2.20 -1.26 -4.80 119.74 116.79 3gkf s LYS 209 Ca -0.04 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 3gkf s LYS 209 Cb 0.15 -2.59 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 3gkf s LYS 209 CO 0.73 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.94 3gkf n GLY 210 N 4.59 0.71 0.36 5.54 0.00 -1.26 -4.44 105.19 110.69 3gkf n GLY 210 Ca -0.21 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.58 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 0.51 -0.93 1.61 3.57 -1.87 -1.92 116.94 117.91 3gkf h PHE 211 Ca 0.00 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.61 3gkf h PHE 211 Cb 0.00 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.50 3gkf h PHE 211 CO 0.00 0.24 0.57 0.93 -2.23 0.00 0.00 178.31 177.82 3gkf h GLU 212 N 0.48 0.93 -0.65 1.11 5.08 -1.92 -0.41 114.58 119.21 3gkf h GLU 212 Ca 0.30 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3gkf h GLU 212 Cb 0.54 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 3gkf h GLU 212 CO -0.09 0.62 0.13 0.00 -1.00 0.00 0.00 179.01 178.67 3gkf h ARG 213 N 0.96 1.04 0.36 2.33 3.08 -1.73 0.18 114.38 120.59 3gkf h ARG 213 Ca 0.44 -0.25 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3gkf h ARG 213 Cb 0.36 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gkf h ARG 213 CO -0.23 0.93 -0.17 0.82 -1.07 0.00 0.00 179.97 180.25 3gkf h ILE 214 N 0.98 0.66 -0.24 2.04 2.04 -1.02 0.39 117.51 122.35 3gkf h ILE 214 Ca 0.20 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.01 3gkf h ILE 214 Cb 0.38 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3gkf h ILE 214 CO 0.01 0.01 0.10 0.58 0.00 0.00 0.00 178.15 178.85 3gkf h VAL 215 N -0.51 0.96 -0.86 1.67 2.07 -1.08 -1.98 116.25 116.51 3gkf h VAL 215 Ca -0.05 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3gkf h VAL 215 Cb 0.39 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3gkf h VAL 215 CO 0.08 0.04 0.45 0.00 0.02 0.00 0.00 177.57 178.16 3gkf h ALA 216 N 1.14 1.11 0.00 1.67 0.00 -0.43 -1.36 119.26 121.38 3gkf h ALA 216 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3gkf h ALA 216 Cb 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3gkf h ALA 216 CO -0.09 0.63 0.00 0.78 0.00 0.00 0.00 179.25 180.57 3gkf h GLY 217 N 1.21 0.00 -5.54 0.00 0.00 -0.77 -3.43 103.07 94.54 3gkf h GLY 217 Ca 0.30 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.05 3gkf h GLY 217 CO -0.05 0.00 0.05 0.00 0.00 0.00 0.00 176.54 176.55 3gkf n PRO 219 N 4.29 1.40 -4.25 0.00 -0.04 -1.26 -4.89 135.00 130.26 3gkf n PRO 219 Ca -0.03 -0.60 -0.14 0.00 -0.04 0.00 0.00 63.50 62.70 3gkf n PRO 219 Cb 0.51 -1.43 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.95 0.49 0.44 0.52 -7.23 -1.26 -3.43 120.40 107.98 3gkf s VAL 220 Ca 0.37 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.31 3gkf s VAL 220 Cb 0.19 -2.32 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 3gkf s VAL 220 CO 0.31 -0.27 1.33 -2.65 -0.31 0.00 0.00 175.10 173.51 3gkf n PRO 221 N -0.30 2.03 -4.94 4.82 -0.02 -1.24 -4.76 135.00 130.59 3gkf n PRO 221 Ca -0.03 0.72 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 3gkf n PRO 221 Cb 0.65 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.20 2.86 0.03 4.25 1.01 -1.26 -1.11 121.20 125.77 3gkf s ILE 222 Ca 0.61 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 60.56 3gkf s ILE 222 Cb -0.48 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3gkf s ILE 222 CO 0.57 0.57 -0.22 -0.69 0.00 0.00 0.00 174.94 175.18 3gkf s VAL 223 N -0.34 1.73 -0.07 2.92 1.01 0.59 0.33 120.40 126.57 3gkf s VAL 223 Ca 0.03 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.86 3gkf s VAL 223 Cb -0.13 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 3gkf s VAL 223 CO 0.02 0.31 -0.01 0.27 0.00 0.00 0.00 175.10 175.69 3gkf s ILE 224 N -0.71 4.16 0.26 2.22 -4.36 -0.89 0.03 121.20 121.91 3gkf s ILE 224 Ca 0.08 -0.34 -0.12 0.00 -0.26 0.00 0.00 60.65 60.01 3gkf s ILE 224 Cb -0.09 -2.75 -0.08 0.00 1.25 0.00 0.00 42.46 40.79 3gkf s ILE 224 CO 0.01 0.58 0.63 0.00 0.24 0.00 0.00 174.94 176.39 3gkf s ALA 225 N -0.89 3.47 0.10 2.27 0.00 0.17 0.12 121.76 127.00 3gkf s ALA 225 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 3gkf s ALA 225 Cb -0.11 -2.58 -0.16 0.00 0.00 0.00 0.00 23.12 20.27 3gkf s ALA 225 CO 0.03 0.43 1.28 0.78 0.00 0.00 0.00 175.76 178.28 3gkf h GLY 226 N 2.54 0.80 0.00 0.00 0.00 -0.65 -3.39 103.07 102.37 3gkf h GLY 226 Ca -0.47 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 45.64 3gkf h GLY 226 CO 0.67 1.08 0.00 0.61 0.00 0.00 0.00 176.54 178.90 3gkf n GLY 227 N 0.82 -1.48 3.68 4.60 0.00 -1.26 -4.92 105.19 106.62 3gkf n GLY 227 Ca -0.08 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 0.72 -1.77 1.61 2.85 -1.26 -4.48 118.16 115.84 3gkf n LYS 228 Ca 0.00 0.31 -0.41 0.00 -1.05 0.00 0.00 58.31 57.15 3gkf n LYS 228 Cb 0.00 -2.39 -0.00 0.00 -0.65 0.00 0.00 35.03 31.99 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 -2.09 2.66 -4.38 -1.58 3.00 -1.26 -4.82 118.16 109.69 3gkf n LYS 229 Ca 0.14 0.93 -0.19 0.00 -0.00 0.00 0.00 58.31 59.19 3gkf n LYS 229 Cb 0.49 -2.67 -0.10 0.00 0.00 0.00 0.00 35.03 32.75 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -1.77 2.41 0.31 3.14 1.43 -1.26 -5.03 118.68 117.90 3gkf s LEU 230 Ca 0.55 -1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 3gkf s LEU 230 Cb -0.48 -0.52 -0.12 0.00 0.03 0.00 0.00 46.19 45.09 3gkf s LEU 230 CO 0.61 -0.38 1.40 -0.81 0.23 0.00 0.00 176.35 177.41 3gkf n PRO 231 N -0.50 2.26 -0.17 1.29 -0.04 -1.26 -4.75 135.00 131.82 3gkf n PRO 231 Ca -0.06 0.80 -0.02 0.00 -0.04 0.00 0.00 63.50 64.18 3gkf n PRO 231 Cb 0.63 -2.45 0.05 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.46 0.03 -0.85 0.54 3.07 -1.99 0.11 114.58 118.95 3gkf h GLU 232 Ca -0.46 -0.00 0.21 0.00 -0.50 0.00 0.00 59.36 58.61 3gkf h GLU 232 Cb 1.27 -0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.04 3gkf h GLU 232 CO 0.69 0.02 0.21 -0.09 -1.40 0.00 0.00 179.01 178.44 3gkf h ARG 233 N 0.03 0.22 -0.18 2.33 1.12 -1.98 0.13 114.38 116.04 3gkf h ARG 233 Ca 0.26 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.93 3gkf h ARG 233 Cb 0.40 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.31 3gkf h ARG 233 CO -0.51 0.14 -0.63 0.93 -3.11 0.00 0.00 179.97 176.79 3gkf h GLU 234 N 0.22 0.64 -0.17 0.20 5.08 -1.17 -2.01 114.58 117.37 3gkf h GLU 234 Ca 0.52 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3gkf h GLU 234 Cb 1.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3gkf h GLU 234 CO -0.62 1.07 0.06 0.00 -1.00 0.00 0.00 179.01 178.51 3gkf h ALA 235 N 0.83 0.22 -0.52 3.43 0.00 -0.33 -1.73 119.26 121.16 3gkf h ALA 235 Ca -0.01 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 235 Cb 1.21 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.88 3gkf h ALA 235 CO 0.12 -0.18 0.22 -0.07 0.00 0.00 0.00 179.25 179.34 3gkf h LEU 236 N 0.10 0.28 -0.66 0.00 3.38 -0.77 0.22 115.31 117.86 3gkf h LEU 236 Ca 0.05 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3gkf h LEU 236 Cb 0.19 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3gkf h LEU 236 CO -0.00 0.19 0.37 -0.08 0.09 0.00 0.00 178.44 179.01 3gkf h GLU 237 N 0.43 0.67 -0.27 1.13 4.22 -1.12 0.54 114.58 120.19 3gkf h GLU 237 Ca 0.24 -0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.67 3gkf h GLU 237 Cb 0.21 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 3gkf h GLU 237 CO -0.21 0.44 0.08 1.98 -2.18 0.00 0.00 179.01 179.12 3gkf h MET 238 N 0.69 0.19 0.04 1.92 4.05 -0.38 0.18 114.93 121.61 3gkf h MET 238 Ca 0.29 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.73 3gkf h MET 238 Cb 0.17 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 3gkf h MET 238 CO -0.18 0.12 -0.29 0.00 0.23 0.00 0.00 176.91 176.80 3gkf h TRP 240 N -0.46 0.71 -0.25 0.00 7.01 0.64 -0.97 115.95 122.63 3gkf h TRP 240 Ca 0.05 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3gkf h TRP 240 Cb 0.53 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 3gkf h TRP 240 CO -0.30 0.32 0.11 1.96 -2.79 0.00 0.00 178.44 177.73 3gkf h GLN 241 N 0.70 0.37 0.02 2.65 1.08 -0.26 0.88 115.11 120.55 3gkf h GLN 241 Ca 0.33 -0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.47 3gkf h GLN 241 Cb 0.25 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3gkf h GLN 241 CO -0.21 0.40 -0.06 0.00 -0.95 0.00 0.00 178.83 178.01 3gkf h ALA 242 N 0.95 -0.08 0.32 3.87 0.00 -0.16 -0.27 119.26 123.89 3gkf h ALA 242 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gkf h ALA 242 Cb 0.16 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3gkf h ALA 242 CO -0.01 -0.56 -0.19 0.82 0.00 0.00 0.00 179.25 179.31 3gkf h ILE 243 N -0.11 0.60 -0.99 0.00 1.08 -1.16 -1.39 117.51 115.54 3gkf h ILE 243 Ca 0.02 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.76 3gkf h ILE 243 Cb 0.14 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.44 3gkf h ILE 243 CO -0.05 0.00 0.69 -0.78 -0.69 0.00 0.00 178.15 177.32 3gkf h ASP 244 N -0.49 0.12 -0.57 1.72 3.58 -0.63 0.22 116.42 120.37 3gkf h ASP 244 Ca -0.03 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3gkf h ASP 244 Cb 0.40 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.45 3gkf h ASP 244 CO 0.04 0.03 0.00 0.00 -2.88 0.00 0.00 179.24 176.43 3gkf n GLN 245 N -4.33 3.51 0.00 0.28 6.02 -0.13 -4.92 117.38 117.80 3gkf n GLN 245 Ca 0.21 -2.56 0.00 0.00 -0.01 0.00 0.00 57.00 54.65 3gkf n GLN 245 Cb 0.99 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 1.02 0.90 3.76 1.08 0.00 0.78 -4.59 105.19 108.12 3gkf n GLY 246 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 2.48 -1.42 4.61 0.00 -0.61 -4.85 121.76 119.97 3gkf s ALA 247 Ca 0.00 0.85 0.22 0.00 0.00 0.00 0.00 51.96 53.03 3gkf s ALA 247 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3gkf s ALA 247 CO 0.00 -1.25 1.07 0.43 0.00 0.00 0.00 175.76 176.01 3gkf n SER 248 N -1.93 1.31 -3.63 0.00 7.64 0.15 -4.64 113.62 112.52 3gkf n SER 248 Ca 0.12 -1.10 0.01 0.00 1.01 0.00 0.00 58.87 58.92 3gkf n SER 248 Cb 0.50 0.68 -0.00 0.00 -1.01 0.00 0.00 64.21 64.38 3gkf n SER 248 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gkf s GLY 249 N -2.78 -0.39 0.01 0.23 0.00 -1.12 -1.21 107.32 102.06 3gkf s GLY 249 Ca 0.13 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.50 3gkf s GLY 249 CO 0.72 0.27 -0.09 -1.34 0.00 0.00 0.00 173.10 172.66 3gkf s VAL 250 N -2.49 0.71 -0.26 1.40 -7.23 -1.00 -2.09 120.40 109.44 3gkf s VAL 250 Ca 0.14 -0.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.75 3gkf s VAL 250 Cb 0.04 -0.63 0.04 0.00 0.56 0.00 0.00 36.38 36.39 3gkf s VAL 250 CO -0.03 0.07 -0.07 -0.62 -0.31 0.00 0.00 175.10 174.14 3gkf s ASP 251 N -0.56 4.47 -0.46 4.85 2.15 0.32 -1.79 116.67 125.65 3gkf s ASP 251 Ca 0.01 -1.16 -0.16 0.00 0.43 0.00 0.00 52.55 51.66 3gkf s ASP 251 Cb -0.05 -1.63 0.05 0.00 -0.30 0.00 0.00 42.92 40.99 3gkf s ASP 251 CO 0.00 -0.18 0.42 -0.04 -0.17 0.00 0.00 175.17 175.20 3gkf s MET 252 N 1.22 3.02 0.00 4.34 -1.94 -1.25 0.13 119.30 124.82 3gkf s MET 252 Ca -0.04 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 52.82 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 -0.04 -0.98 0.00 0.41 -0.01 0.00 0.00 175.02 174.40 3gkf n GLY 253 N 5.18 1.36 0.31 -0.03 0.00 -1.26 -3.90 105.19 106.85 3gkf n GLY 253 Ca -0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 0.53 0.00 1.61 -0.00 -1.89 0.67 114.38 115.30 3gkf h ARG 254 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.45 3gkf h ARG 254 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 29.97 29.85 3gkf h ARG 254 CO 0.00 0.35 0.03 0.09 0.00 0.00 0.00 179.97 180.44 3gkf n ASN 255 N -4.93 0.00 -0.00 7.04 3.02 -1.26 -1.23 115.26 117.89 3gkf n ASN 255 Ca 0.19 0.42 -0.02 0.00 -0.03 0.00 0.00 54.58 55.14 3gkf n ASN 255 Cb 0.52 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.41 0.62 0.31 2.41 5.41 0.23 -4.35 119.36 122.58 3gkf n ILE 256 Ca 0.00 0.25 0.19 0.00 1.00 0.00 0.00 62.75 64.19 3gkf n ILE 256 Cb 0.03 -1.52 1.02 0.00 -0.71 0.00 0.00 39.64 38.45 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 -0.19 0.00 0.00 1.39 -5.15 -1.39 -1.03 116.94 110.58 3gkf h PHE 257 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3gkf h PHE 257 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.36 3gkf h PHE 257 CO -0.08 0.02 -1.01 1.96 -2.00 0.00 0.00 178.31 177.20 3gkf h GLN 258 N 0.00 0.00 -7.09 6.09 4.20 -1.39 -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 0.10 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.03 3gkf h GLN 258 CO 0.00 0.02 0.55 0.45 -0.67 0.00 0.00 178.83 179.18 3gkf s SER 259 N -5.41 4.80 0.52 1.46 0.15 -0.39 -4.87 113.70 109.95 3gkf s SER 259 Ca -0.01 2.68 0.30 0.00 0.70 0.00 0.00 55.95 59.63 3gkf s SER 259 Cb 0.09 -2.62 1.30 0.00 -1.71 0.00 0.00 66.02 63.08 3gkf s SER 259 CO 0.79 -1.88 1.97 0.44 1.20 0.00 0.00 173.24 175.76 3gkf h ASP 260 N 0.83 0.00 -2.27 5.45 3.32 -1.91 -3.31 116.42 118.53 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 0.09 -0.80 1.41 -1.72 0.00 0.00 179.24 178.76 3gkf n HIS 261 N -3.26 1.80 0.29 4.55 8.25 -1.26 -4.99 115.22 120.60 3gkf n HIS 261 Ca -0.00 -3.89 -0.17 0.00 -0.26 0.00 0.00 57.72 53.39 3gkf n HIS 261 Cb 0.32 -0.41 -0.09 0.00 1.12 0.00 0.00 29.99 30.93 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 4.44 -0.88 -1.01 -0.41 0.11 -1.78 -2.24 132.00 130.23 3gkf h PRO 262 Ca 0.16 0.06 0.08 0.00 0.11 0.00 0.00 66.00 66.40 3gkf h PRO 262 Cb 0.77 0.20 -0.07 0.00 0.11 0.00 0.00 31.00 32.01 3gkf h PRO 262 CO 0.65 -0.59 0.65 0.28 -0.21 0.00 0.00 178.00 178.78 3gkf h VAL 263 N -0.91 1.05 -0.54 3.15 2.07 -1.94 0.10 116.25 119.24 3gkf h VAL 263 Ca -0.05 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3gkf h VAL 263 Cb 0.79 -0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3gkf h VAL 263 CO -0.03 0.21 0.32 0.00 0.02 0.00 0.00 177.57 178.10 3gkf h ALA 264 N 1.47 0.69 -0.25 1.67 0.00 -1.80 -2.35 119.26 118.69 3gkf h ALA 264 Ca 0.45 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.38 3gkf h ALA 264 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3gkf h ALA 264 CO -0.19 0.04 0.05 1.98 0.00 0.00 0.00 179.25 181.13 3gkf h MET 265 N 0.64 0.15 -0.39 0.00 -1.53 -0.22 -1.63 114.93 111.95 3gkf h MET 265 Ca 0.22 -0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.52 3gkf h MET 265 Cb 0.02 -0.03 -0.04 0.00 -0.55 0.00 0.00 31.60 30.99 3gkf h MET 265 CO -0.10 0.10 0.12 0.52 0.14 0.00 0.00 176.91 177.69 3gkf h MET 266 N 0.15 0.27 -0.40 0.39 2.86 -0.93 0.26 114.93 117.52 3gkf h MET 266 Ca 0.11 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3gkf h MET 266 Cb 0.11 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3gkf h MET 266 CO -0.15 0.18 0.27 0.87 1.06 0.00 0.00 176.91 179.13 3gkf h LYS 267 N 0.27 0.50 0.26 1.72 1.57 -1.15 0.94 116.57 120.69 3gkf h LYS 267 Ca 0.18 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3gkf h LYS 267 Cb 0.17 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3gkf h LYS 267 CO -0.20 0.33 -0.13 0.00 -0.57 0.00 0.00 179.45 178.88 3gkf h ALA 268 N 1.76 -0.36 -0.73 3.86 0.00 0.27 -1.29 119.26 122.78 3gkf h ALA 268 Ca 0.15 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3gkf h ALA 268 Cb -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3gkf h ALA 268 CO -0.03 -0.70 0.22 0.28 0.00 0.00 0.00 179.25 179.01 3gkf h VAL 269 N -0.36 1.26 -0.66 0.00 2.07 0.13 -1.41 116.25 117.28 3gkf h VAL 269 Ca -0.04 -0.92 0.07 0.00 0.82 0.00 0.00 66.70 66.63 3gkf h VAL 269 Cb 0.28 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3gkf h VAL 269 CO 0.06 0.36 0.34 1.56 0.02 0.00 0.00 177.57 179.91 3gkf h GLN 270 N 1.09 0.60 0.44 1.57 4.20 0.10 -0.52 115.11 122.60 3gkf h GLN 270 Ca 0.24 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 3gkf h GLN 270 Cb 0.32 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3gkf h GLN 270 CO -0.01 0.40 -0.21 0.00 -0.67 0.00 0.00 178.83 178.34 3gkf h ALA 271 N 1.37 -0.59 -0.35 3.87 0.00 -0.20 -0.24 119.26 123.11 3gkf h ALA 271 Ca 0.31 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.13 3gkf h ALA 271 Cb 0.25 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3gkf h ALA 271 CO -0.21 -0.81 0.04 0.28 0.00 0.00 0.00 179.25 178.55 3gkf h VAL 272 N -0.65 0.79 0.37 0.00 2.07 -1.13 0.72 116.25 118.42 3gkf h VAL 272 Ca -0.06 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3gkf h VAL 272 Cb 0.48 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3gkf h VAL 272 CO 0.10 0.03 -0.18 0.58 0.02 0.00 0.00 177.57 178.12 3gkf h VAL 273 N 0.15 0.00 0.14 2.57 2.07 -0.83 -2.98 116.25 117.38 3gkf h VAL 273 Ca 0.17 -0.42 -0.31 0.00 0.82 0.00 0.00 66.70 66.97 3gkf h VAL 273 Cb 0.21 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3gkf h VAL 273 CO -0.25 0.00 -1.47 0.45 0.02 0.00 0.00 177.57 176.32 3gkf h HIS 274 N -0.91 0.55 -0.00 1.57 -0.00 -1.15 -3.39 115.15 111.82 3gkf h HIS 274 Ca -0.05 -0.40 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3gkf h HIS 274 Cb 0.38 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 3gkf h HIS 274 CO 0.02 1.41 -0.90 0.72 -0.00 0.00 0.00 177.93 179.18 3gkf n HIS 275 N -3.52 0.00 -0.79 2.45 8.25 -0.54 -4.97 115.22 116.09 3gkf n HIS 275 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3gkf n HIS 275 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 -1.34 -0.47 -4.55 0.41 3.02 0.14 -4.96 115.26 107.51 3gkf n ASN 276 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 3gkf n ASN 276 Cb 0.32 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 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 -2.16 0.92 -1.97 3.52 -0.58 -1.06 -4.91 120.64 114.40 3gkf n GLU 277 Ca 0.00 0.34 -0.32 0.00 -0.42 0.00 0.00 57.16 56.76 3gkf n GLU 277 Cb 0.00 -1.88 0.01 0.00 -0.57 0.00 0.00 31.44 29.00 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 -1.46 4.05 0.23 2.62 -1.32 -1.26 -4.37 115.64 114.13 3gkf s THR 278 Ca 0.67 0.87 -0.10 0.00 -1.21 0.00 0.00 61.69 61.92 3gkf s THR 278 Cb -0.51 -3.48 0.24 0.00 -1.51 0.00 0.00 72.50 67.24 3gkf s THR 278 CO 0.55 -0.68 1.64 0.00 -2.21 0.00 0.00 174.62 173.92 3gkf h ALA 279 N 0.16 0.63 0.26 11.08 0.00 -1.91 -1.07 119.26 128.41 3gkf h ALA 279 Ca -0.46 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3gkf h ALA 279 Cb 1.21 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.42 3gkf h ALA 279 CO 0.58 -0.41 -0.13 -0.44 0.00 0.00 0.00 179.25 178.85 3gkf h ASP 280 N 0.08 -0.30 -0.43 0.00 5.19 -1.97 0.15 116.42 119.14 3gkf h ASP 280 Ca 0.36 -0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.80 3gkf h ASP 280 Cb 0.59 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.11 3gkf h ASP 280 CO -0.63 -0.15 0.04 0.03 -3.12 0.00 0.00 179.24 175.41 3gkf h ARG 281 N -0.43 0.15 -0.12 3.56 3.08 -1.85 -0.58 114.38 118.18 3gkf h ARG 281 Ca -0.04 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 281 Cb 0.32 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.27 3gkf h ARG 281 CO 0.06 0.10 -0.47 0.00 -1.07 0.00 0.00 179.97 178.59 3gkf h ALA 282 N 1.35 -0.71 -0.86 0.04 0.00 -0.59 0.08 119.26 118.58 3gkf h ALA 282 Ca 0.21 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.25 3gkf h ALA 282 Cb 0.29 0.87 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 3gkf h ALA 282 CO -0.32 -0.99 0.44 -0.92 0.00 0.00 0.00 179.25 177.46 3gkf h TYR 283 N -0.54 0.77 -0.09 0.00 3.20 -0.10 -0.05 116.97 120.16 3gkf h TYR 283 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3gkf h TYR 283 Cb 0.66 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 3gkf h TYR 283 CO -0.52 0.16 0.05 0.93 -1.64 0.00 0.00 178.16 177.14 3gkf h GLU 284 N 0.61 0.11 0.00 1.82 5.08 0.54 0.40 114.58 123.14 3gkf h GLU 284 Ca 0.48 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 3gkf h GLU 284 Cb 0.70 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3gkf h GLU 284 CO -0.38 0.10 -0.04 1.37 -1.00 0.00 0.00 179.01 179.07 3gkf h LEU 285 N 0.09 0.00 0.30 1.33 -0.00 -0.69 0.55 115.31 116.89 3gkf h LEU 285 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3gkf h LEU 285 Cb 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.64 3gkf h LEU 285 CO -0.01 0.04 -0.48 0.22 -0.00 0.00 0.00 178.44 178.21 3gkf h TYR 286 N 0.00 -1.36 -0.69 0.17 3.20 0.16 0.13 116.97 118.58 3gkf h TYR 286 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 3gkf h TYR 286 Cb 0.33 0.55 -0.03 0.00 1.54 0.00 0.00 36.73 39.12 3gkf h TYR 286 CO 0.00 -0.61 0.26 -0.07 -1.64 0.00 0.00 178.16 176.10 3gkf h LEU 287 N -0.84 0.96 -0.43 2.82 3.38 -0.33 -2.69 115.31 118.18 3gkf h LEU 287 Ca -0.02 -0.15 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3gkf h LEU 287 Cb 0.79 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.20 3gkf h LEU 287 CO -0.17 0.87 -0.22 -1.28 0.09 0.00 0.00 178.44 177.73 3gkf h SER 288 N 1.01 -0.74 0.86 -0.43 0.87 0.31 -2.97 113.55 112.46 3gkf h SER 288 Ca 0.23 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.96 3gkf h SER 288 Cb 0.23 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3gkf h SER 288 CO -0.02 -0.25 0.00 -0.62 -0.53 0.00 0.00 176.83 175.42 3gkf n GLU 289 N -5.39 0.02 0.00 2.24 -0.58 0.43 -5.06 120.64 112.30 3gkf n GLU 289 Ca 0.03 0.10 0.02 0.00 -0.42 0.00 0.00 57.16 56.89 3gkf n GLU 289 Cb 0.30 -1.53 0.15 0.00 -0.57 0.00 0.00 31.44 29.79 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28