#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 2.85 -0.25 1.61 1.02 -1.26 -5.11 119.74 118.60 3gkf s LYS 11 Ca 0.00 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.48 3gkf s LYS 11 Cb 0.00 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.66 3gkf s LYS 11 CO 0.00 0.66 -0.11 0.34 -0.92 0.00 0.00 175.35 175.33 3gkf s ASP 12 N -1.16 4.23 0.00 2.83 2.15 -1.26 -4.95 116.67 118.51 3gkf s ASP 12 Ca 0.16 -1.16 0.27 0.00 0.43 0.00 0.00 52.55 52.25 3gkf s ASP 12 Cb -0.11 -1.57 0.78 0.00 -0.30 0.00 0.00 42.92 41.71 3gkf s ASP 12 CO 0.05 -0.15 1.59 0.49 -0.17 0.00 0.00 175.17 176.98 3gkf n PHE 13 N 4.53 0.00 -3.82 -5.34 3.72 -1.26 -4.95 117.46 110.33 3gkf n PHE 13 Ca -0.16 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.97 3gkf n PHE 13 Cb 0.45 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.99 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.52 -2.60 0.27 -1.08 3.00 -1.26 -4.82 116.66 110.70 3gkf n ARG 14 Ca 0.17 0.44 0.13 0.00 -0.00 0.00 0.00 57.85 58.60 3gkf n ARG 14 Cb 0.43 -4.39 0.76 0.00 0.00 0.00 0.00 32.46 29.26 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 -1.88 0.53 0.00 5.15 1.35 -2.02 -1.92 112.91 114.12 3gkf h THR 15 Ca -0.64 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 64.77 3gkf h THR 15 Cb 1.37 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3gkf h THR 15 CO 0.56 0.10 0.00 -2.24 -0.25 0.00 0.00 175.52 173.69 3gkf h ASP 16 N 0.00 0.00 -3.85 5.36 2.03 -2.04 -3.40 116.42 114.52 3gkf h ASP 16 Ca -0.00 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.63 3gkf h ASP 16 Cb 0.29 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 38.42 3gkf h ASP 16 CO 0.01 0.00 -0.80 -1.58 -1.03 0.00 0.00 179.24 175.84 3gkf s GLN 17 N -3.36 2.26 0.03 4.15 0.74 -0.72 -5.10 119.66 117.66 3gkf s GLN 17 Ca 0.05 -1.34 -0.21 0.00 0.05 0.00 0.00 55.36 53.91 3gkf s GLN 17 Cb 0.09 -2.88 -0.06 0.00 1.10 0.00 0.00 33.01 31.26 3gkf s GLN 17 CO 0.48 -0.56 0.61 -1.25 -0.55 0.00 0.00 175.29 174.02 3gkf s PRO 18 N 1.11 4.31 0.21 1.67 0.04 -1.26 -4.92 135.00 136.16 3gkf s PRO 18 Ca -0.09 0.78 -0.32 0.00 0.04 0.00 0.00 61.00 61.42 3gkf s PRO 18 Cb -0.20 -3.31 -0.13 0.00 0.04 0.00 0.00 34.50 30.90 3gkf s PRO 18 CO -0.05 0.45 1.51 0.94 0.04 0.00 0.00 177.00 179.89 3gkf n GLN 19 N 2.39 2.20 -4.60 4.56 7.27 -1.26 -5.00 117.38 122.94 3gkf n GLN 19 Ca -0.07 0.79 -0.22 0.00 0.07 0.00 0.00 57.00 57.56 3gkf n GLN 19 Cb 0.51 -2.51 -0.15 0.00 2.41 0.00 0.00 30.24 30.50 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 0.18 1.13 -0.12 3.69 2.20 -1.26 -5.13 119.74 120.44 3gkf s LYS 20 Ca 0.72 -0.61 -0.28 0.00 -0.36 0.00 0.00 55.97 55.44 3gkf s LYS 20 Cb -0.64 -1.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.55 3gkf s LYS 20 CO 0.44 0.30 0.95 -0.80 -0.36 0.00 0.00 175.35 175.88 3gkf s ASN 21 N -0.59 7.17 -0.11 1.43 -0.87 -1.26 -5.02 114.94 115.69 3gkf s ASN 21 Ca 0.05 1.43 -0.30 0.00 -1.57 0.00 0.00 52.86 52.48 3gkf s ASN 21 Cb -0.06 -2.53 -0.02 0.00 -0.02 0.00 0.00 41.25 38.62 3gkf s ASN 21 CO 0.00 -0.42 1.27 -0.63 -2.57 0.00 0.00 177.10 174.75 3gkf s ILE 22 N 1.97 4.20 0.71 0.60 1.09 -1.26 -5.00 121.20 123.51 3gkf s ILE 22 Ca 0.45 1.49 -0.16 0.00 -1.10 0.00 0.00 60.65 61.33 3gkf s ILE 22 Cb -0.18 -3.96 0.03 0.00 -1.06 0.00 0.00 42.46 37.29 3gkf s ILE 22 CO 0.17 -0.08 1.22 -2.84 -0.10 0.00 0.00 174.94 173.30 3gkf s PRO 23 N 3.06 2.27 -0.30 2.79 0.02 -1.26 -5.01 135.00 136.56 3gkf s PRO 23 Ca 0.57 1.79 -0.04 0.00 0.02 0.00 0.00 61.00 63.34 3gkf s PRO 23 Cb -0.24 -1.84 0.04 0.00 0.02 0.00 0.00 34.50 32.48 3gkf s PRO 23 CO 0.18 -1.75 0.03 0.12 -0.33 0.00 0.00 177.00 175.26 3gkf s PHE 24 N -1.89 3.22 -0.82 6.54 5.36 -1.26 -5.00 117.98 124.13 3gkf s PHE 24 Ca 0.75 -1.58 0.23 0.00 -0.96 0.00 0.00 56.93 55.38 3gkf s PHE 24 Cb -0.30 -2.17 0.16 0.00 -0.34 0.00 0.00 43.02 40.37 3gkf s PHE 24 CO 0.43 -0.74 1.14 0.25 -1.46 0.00 0.00 175.22 174.84 3gkf n THR 25 N 4.72 0.08 -1.60 0.12 -2.24 -1.26 -4.54 114.28 109.56 3gkf n THR 25 Ca -0.14 -0.11 -0.48 0.00 -2.27 0.00 0.00 64.05 61.05 3gkf n THR 25 Cb 0.45 0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 69.01 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 -1.72 1.89 -4.65 3.22 7.94 -1.26 -4.74 117.00 117.67 3gkf n LEU 26 Ca 0.04 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.66 3gkf n LEU 26 Cb 0.38 -1.26 -0.03 0.00 0.53 0.00 0.00 43.42 43.04 3gkf n LEU 26 CO 0.39 -1.11 1.56 -0.75 -1.11 0.00 0.00 177.39 176.36 3gkf s LYS 27 N -0.38 4.05 0.00 1.96 2.20 -1.26 -2.15 119.74 124.16 3gkf s LYS 27 Ca 0.72 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.74 3gkf s LYS 27 Cb -0.80 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 31.38 3gkf s LYS 27 CO 0.52 -1.04 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3gkf n GLY 28 N 4.55 0.39 0.86 5.54 0.00 -1.22 -3.72 105.19 111.59 3gkf n GLY 28 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.06 -1.47 1.72 0.00 0.00 -1.26 -3.88 105.19 99.23 3gkf n GLY 30 Ca 0.26 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.48 4.73 -2.60 4.61 0.00 -1.26 -4.95 120.51 119.55 3gkf n ALA 31 Ca 0.08 -3.69 -0.28 0.00 0.00 0.00 0.00 53.44 49.55 3gkf n ALA 31 Cb 0.33 -0.33 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -3.52 3.11 0.88 0.00 1.43 -1.25 -5.10 118.68 114.22 3gkf s LEU 32 Ca 0.48 -0.42 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 3gkf s LEU 32 Cb 0.40 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.90 3gkf s LEU 32 CO 0.02 0.14 1.17 -0.62 0.23 0.00 0.00 176.35 177.29 3gkf s ASP 33 N -2.53 3.13 0.19 2.29 2.15 -1.26 -4.67 116.67 115.97 3gkf s ASP 33 Ca 0.24 2.26 -0.14 0.00 0.43 0.00 0.00 52.55 55.34 3gkf s ASP 33 Cb -0.10 -2.58 0.19 0.00 -0.30 0.00 0.00 42.92 40.14 3gkf s ASP 33 CO 0.15 -2.97 1.66 -0.25 -0.17 0.00 0.00 175.17 173.60 3gkf h TRP 34 N -1.54 -0.15 -0.36 -5.34 7.01 -1.99 -0.57 115.95 113.00 3gkf h TRP 34 Ca -0.44 0.04 0.00 0.00 2.11 0.00 0.00 58.89 60.61 3gkf h TRP 34 Cb 1.28 0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.47 3gkf h TRP 34 CO 0.49 -0.17 0.24 0.78 -2.79 0.00 0.00 178.44 176.99 3gkf h GLY 35 N 0.06 0.51 1.03 2.65 0.00 -1.92 0.28 103.07 105.68 3gkf h GLY 35 Ca 0.26 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.31 3gkf h GLY 35 CO -0.49 0.19 -0.05 1.98 0.00 0.00 0.00 176.54 178.17 3gkf h MET 36 N 0.49 0.91 -0.17 4.80 1.85 -1.50 -0.80 114.93 120.52 3gkf h MET 36 Ca 0.13 -0.32 -0.02 0.00 -0.61 0.00 0.00 59.70 58.88 3gkf h MET 36 Cb -0.06 -0.07 -0.01 0.00 0.43 0.00 0.00 31.60 31.90 3gkf h MET 36 CO -0.03 0.96 -0.01 1.96 -0.40 0.00 0.00 176.91 179.40 3gkf h GLN 37 N 0.77 0.24 -0.18 0.39 4.20 -0.53 -1.91 115.11 118.09 3gkf h GLN 37 Ca 0.13 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 3gkf h GLN 37 Cb 0.59 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3gkf h GLN 37 CO 0.04 0.27 -0.00 1.03 -0.67 0.00 0.00 178.83 179.50 3gkf h SER 38 N 0.24 0.32 -0.36 1.46 0.87 0.47 -0.95 113.55 115.60 3gkf h SER 38 Ca 0.06 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.31 3gkf h SER 38 Cb 0.18 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3gkf h SER 38 CO 0.00 0.55 0.22 0.03 -0.53 0.00 0.00 176.83 177.10 3gkf h ARG 39 N 0.08 0.49 -0.36 2.24 3.08 -0.73 -1.35 114.38 117.82 3gkf h ARG 39 Ca 0.05 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3gkf h ARG 39 Cb 0.39 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3gkf h ARG 39 CO 0.01 0.37 0.18 -0.07 -1.07 0.00 0.00 179.97 179.39 3gkf h LEU 40 N 0.47 0.44 -1.18 3.04 3.38 -1.30 -0.37 115.31 119.80 3gkf h LEU 40 Ca 0.13 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3gkf h LEU 40 Cb 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3gkf h LEU 40 CO -0.02 0.37 -0.33 0.28 0.09 0.00 0.00 178.44 178.82 3gkf h SER 41 N 0.50 0.00 -0.55 -0.43 0.02 -0.37 0.79 113.55 113.51 3gkf h SER 41 Ca 0.13 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3gkf h SER 41 Cb 0.04 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3gkf h SER 41 CO -0.02 0.33 -0.00 0.03 -1.14 0.00 0.00 176.83 176.03 3gkf h ARG 42 N 0.00 0.98 0.10 3.45 3.08 -0.00 -3.33 114.38 118.65 3gkf h ARG 42 Ca -0.00 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 3gkf h ARG 42 Cb 0.75 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3gkf h ARG 42 CO 0.04 0.98 -0.05 0.82 -1.07 0.00 0.00 179.97 180.70 3gkf h ILE 43 N 0.86 0.95 -3.79 2.04 2.04 -1.06 -3.44 117.51 115.11 3gkf h ILE 43 Ca 0.16 -1.38 -0.63 0.00 1.00 0.00 0.00 64.86 64.00 3gkf h ILE 43 Cb 0.54 1.68 -0.16 0.00 -0.74 0.00 0.00 36.82 38.14 3gkf h ILE 43 CO 0.03 0.28 -0.39 -0.36 0.00 0.00 0.00 178.15 177.71 3gkf s PHE 44 N -2.91 3.24 0.11 1.37 0.08 0.23 -4.52 117.98 115.58 3gkf s PHE 44 Ca -0.12 0.27 -0.34 0.00 0.12 0.00 0.00 56.93 56.86 3gkf s PHE 44 Cb -0.00 -2.46 -0.13 0.00 -0.57 0.00 0.00 43.02 39.86 3gkf s PHE 44 CO 0.46 -0.17 1.68 -1.71 -0.10 0.00 0.00 175.22 175.38 3gkf n ASN 45 N 5.11 3.33 -0.23 1.36 2.85 -0.32 -4.48 115.26 122.88 3gkf n ASN 45 Ca -0.12 1.05 -0.06 0.00 -0.11 0.00 0.00 54.58 55.34 3gkf n ASN 45 Cb 0.51 -1.44 0.09 0.00 1.24 0.00 0.00 39.78 40.19 3gkf n ASN 45 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gkf h PRO 46 N 6.98 1.07 0.36 1.20 0.11 -1.90 2.05 132.00 141.87 3gkf h PRO 46 Ca -0.46 -0.24 -0.02 0.00 0.11 0.00 0.00 66.00 65.40 3gkf h PRO 46 Cb 1.25 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gkf h PRO 46 CO 0.91 0.93 -0.17 0.87 -0.21 0.00 0.00 178.00 180.33 3gkf h LYS 47 N 1.02 -0.47 0.00 1.05 1.79 -1.98 -3.32 116.57 114.67 3gkf h LYS 47 Ca 0.22 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 3gkf h LYS 47 Cb 0.33 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.09 3gkf h LYS 47 CO -0.00 -0.28 -1.07 0.25 -1.08 0.00 0.00 179.45 177.27 3gkf n THR 48 N -5.28 0.02 -2.02 -0.16 -2.24 -1.15 -4.98 114.28 98.48 3gkf n THR 48 Ca -0.11 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.44 3gkf n THR 48 Cb 0.22 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 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 1.45 0.30 3.15 3.38 0.00 0.69 -4.97 105.19 109.19 3gkf n GLY 49 Ca 0.03 -0.28 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.28 0.88 -0.00 1.61 1.02 -1.20 -4.78 119.74 112.99 3gkf s LYS 50 Ca 0.00 -1.38 -0.04 0.00 0.02 0.00 0.00 55.97 54.57 3gkf s LYS 50 Cb 0.00 0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 37.55 3gkf s LYS 50 CO 0.00 -0.24 0.08 -0.08 -0.92 0.00 0.00 175.35 174.19 3gkf s THR 51 N -4.02 0.07 -0.27 2.17 -1.32 -0.22 -1.17 115.64 110.88 3gkf s THR 51 Ca 0.21 -0.57 -0.05 0.00 -1.21 0.00 0.00 61.69 60.07 3gkf s THR 51 Cb 0.07 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.76 3gkf s THR 51 CO -0.01 -0.31 0.03 -0.69 -2.21 0.00 0.00 174.62 171.43 3gkf s VAL 52 N -1.01 3.68 -0.14 5.08 1.01 -1.26 -2.33 120.40 125.42 3gkf s VAL 52 Ca -0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 3gkf s VAL 52 Cb -0.06 -2.83 -0.03 0.00 0.00 0.00 0.00 36.38 33.46 3gkf s VAL 52 CO 0.00 0.20 -0.05 -0.32 0.00 0.00 0.00 175.10 174.93 3gkf s MET 53 N 1.47 3.50 -0.45 2.72 0.00 -0.76 -0.57 119.30 125.20 3gkf s MET 53 Ca 0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 55.69 55.08 3gkf s MET 53 Cb -0.16 -2.84 0.10 0.00 0.00 0.00 0.00 34.83 31.92 3gkf s MET 53 CO 0.00 0.31 0.33 -1.17 0.00 0.00 0.00 175.02 174.49 3gkf s LEU 54 N 0.16 5.49 -0.23 4.11 2.96 -0.15 -3.94 118.68 127.07 3gkf s LEU 54 Ca -0.02 -1.64 -0.09 0.00 -0.22 0.00 0.00 54.13 52.16 3gkf s LEU 54 Cb -0.14 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3gkf s LEU 54 CO 0.03 -0.63 0.11 0.00 -1.32 0.00 0.00 176.35 174.54 3gkf s ALA 55 N 1.45 3.40 -0.38 5.97 0.00 -1.26 -1.56 121.76 129.38 3gkf s ALA 55 Ca 0.04 -0.96 0.11 0.00 0.00 0.00 0.00 51.96 51.15 3gkf s ALA 55 Cb -0.25 -2.17 0.44 0.00 0.00 0.00 0.00 23.12 21.14 3gkf s ALA 55 CO 0.02 -0.25 1.03 1.97 0.00 0.00 0.00 175.76 178.53 3gkf n PHE 56 N 4.42 2.29 0.95 0.00 1.16 0.86 -4.70 117.46 122.45 3gkf n PHE 56 Ca -0.16 -2.94 0.12 0.00 -1.87 0.00 0.00 57.45 52.60 3gkf n PHE 56 Cb 0.52 -0.23 0.18 0.00 -1.61 0.00 0.00 39.48 38.34 3gkf n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gkf n ASP 57 N -0.28 2.87 0.31 5.98 5.75 -1.22 -4.49 116.55 125.47 3gkf n ASP 57 Ca 0.24 -1.93 0.18 0.00 -0.01 0.00 0.00 54.79 53.26 3gkf n ASP 57 Cb 0.74 -0.04 1.01 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 4.34 0.00 0.00 2.11 -0.00 -1.92 -0.74 115.15 118.93 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 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 3gkf h HIS 58 CO 0.04 0.00 0.31 0.78 -0.00 0.00 0.00 177.93 179.07 3gkf h GLY 59 N 0.00 0.00 1.63 2.45 0.00 -1.79 -1.92 103.07 103.44 3gkf h GLY 59 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3gkf h GLY 59 CO -0.00 0.00 0.05 0.10 0.00 0.00 0.00 176.54 176.69 3gkf h TYR 60 N 0.00 0.48 0.00 5.60 -0.00 -1.42 -1.79 116.97 119.84 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 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 36.73 37.21 3gkf h TYR 60 CO 0.00 0.44 0.00 1.97 -0.00 0.00 0.00 178.16 180.57 3gkf n PHE 61 N -4.33 0.00 0.33 0.10 1.16 -1.11 -4.69 117.46 108.91 3gkf n PHE 61 Ca 0.01 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.63 3gkf n PHE 61 Cb 0.20 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.03 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 -0.30 4.60 0.00 3.97 6.02 -0.74 -1.82 117.38 129.11 3gkf n GLN 62 Ca 0.00 -0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3gkf n GLN 62 Cb 0.03 -0.83 0.00 0.00 1.02 0.00 0.00 30.24 30.46 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 1.14 0.05 3.35 1.08 0.00 -0.69 -4.27 105.19 105.86 3gkf n GLY 63 Ca 0.01 -0.97 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 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 2.51 -1.00 1.61 -0.02 -1.26 -3.95 135.00 132.89 3gkf n PRO 64 Ca 0.00 -2.76 -0.33 0.00 -2.02 0.00 0.00 63.50 58.39 3gkf n PRO 64 Cb 0.00 -3.44 0.14 0.00 -0.02 0.00 0.00 33.50 30.17 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 6.45 1.46 -1.73 3.45 -1.04 -1.26 -4.64 114.28 116.97 3gkf n THR 65 Ca 0.49 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.05 61.91 3gkf n THR 65 Cb 0.44 -1.10 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 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 -2.25 2.12 0.00 12.58 2.01 -1.26 -0.93 115.64 127.91 3gkf s THR 66 Ca 0.71 0.03 0.00 0.00 0.31 0.00 0.00 61.69 62.73 3gkf s THR 66 Cb -0.28 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.22 3gkf s THR 66 CO 0.54 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 3gkf n GLY 67 N 4.03 2.20 0.60 4.40 0.00 -1.26 -4.78 105.19 110.38 3gkf n GLY 67 Ca 0.16 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 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 2.96 -0.08 0.99 4.77 -0.10 -4.64 117.00 120.90 3gkf n LEU 68 Ca 0.00 -2.16 -0.07 0.00 -0.03 0.00 0.00 56.01 53.75 3gkf n LEU 68 Cb 0.00 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 3gkf n LEU 68 CO 0.00 0.70 0.78 -0.33 -1.33 0.00 0.00 177.39 177.21 3gkf h GLU 69 N 1.75 -0.05 -3.22 3.23 3.07 -1.76 -3.34 114.58 114.26 3gkf h GLU 69 Ca 0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 0.81 0.01 -0.40 0.00 -0.84 0.00 0.00 28.75 28.34 3gkf h GLU 69 CO 0.03 -0.04 -0.72 1.03 -1.40 0.00 0.00 179.01 177.91 3gkf s ARG 70 N -6.19 1.33 0.24 2.33 1.81 -1.26 -4.94 118.95 112.27 3gkf s ARG 70 Ca -0.14 -1.98 -0.05 0.00 -1.72 0.00 0.00 55.73 51.84 3gkf s ARG 70 Cb 0.13 -2.50 0.34 0.00 -0.45 0.00 0.00 34.95 32.47 3gkf s ARG 70 CO 0.69 -1.12 1.84 0.82 -0.68 0.00 0.00 175.30 176.85 3gkf h ILE 71 N 5.52 1.01 0.00 1.52 1.08 -1.89 -0.47 117.51 124.28 3gkf h ILE 71 Ca -0.04 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.11 3gkf h ILE 71 Cb 0.94 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3gkf h ILE 71 CO 0.51 0.17 -0.04 -2.24 -0.69 0.00 0.00 178.15 175.86 3gkf h ASP 72 N 0.91 0.00 0.00 1.72 2.03 -1.92 -0.79 116.42 118.36 3gkf h ASP 72 Ca 0.37 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.44 3gkf h ASP 72 Cb 0.22 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.68 3gkf h ASP 72 CO -0.19 0.04 -1.68 -0.38 -1.03 0.00 0.00 179.24 176.00 3gkf n ILE 73 N -3.96 1.20 0.02 4.15 5.41 -0.93 -4.19 119.36 121.07 3gkf n ILE 73 Ca -0.03 -0.12 -0.12 0.00 1.00 0.00 0.00 62.75 63.48 3gkf n ILE 73 Cb 0.13 -1.89 -0.07 0.00 -0.71 0.00 0.00 39.64 37.10 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 -0.72 0.03 0.26 4.38 -1.24 -1.14 -3.36 115.58 113.78 3gkf h ASN 74 Ca -0.35 -0.10 -0.21 0.00 0.71 0.00 0.00 56.30 56.35 3gkf h ASN 74 Cb 1.22 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 40.22 3gkf h ASN 74 CO -0.21 0.12 -1.94 -0.38 -1.29 0.00 0.00 177.43 173.73 3gkf n ILE 75 N -5.03 1.00 -0.23 2.57 2.08 -0.39 -4.32 119.36 115.04 3gkf n ILE 75 Ca -0.07 -0.71 0.03 0.00 0.56 0.00 0.00 62.75 62.56 3gkf n ILE 75 Cb 0.07 -0.47 0.15 0.00 -0.75 0.00 0.00 39.64 38.64 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 1.38 0.84 0.00 -1.39 0.00 -1.47 0.46 119.26 119.08 3gkf h ALA 76 Ca -0.28 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gkf h ALA 76 Cb 1.72 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 3gkf h ALA 76 CO 0.03 -0.30 -0.00 -1.35 0.00 0.00 0.00 179.25 177.62 3gkf h PRO 77 N 0.29 0.00 0.00 0.00 0.10 -1.75 -2.86 132.00 127.78 3gkf h PRO 77 Ca 0.37 0.00 -0.03 0.00 0.10 0.00 0.00 66.00 66.44 3gkf h PRO 77 Cb 0.58 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.67 3gkf h PRO 77 CO -0.45 0.00 -0.12 -0.07 0.10 0.00 0.00 178.00 177.46 3gkf h LEU 78 N 0.00 0.00 -0.28 2.35 3.38 -0.31 -3.38 115.31 117.07 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 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3gkf h LEU 78 CO 0.00 0.12 -0.01 -0.26 0.09 0.00 0.00 178.44 178.38 3gkf h PHE 79 N 0.00 -0.04 -0.19 1.13 0.04 -1.47 -2.34 116.94 114.06 3gkf h PHE 79 Ca -0.00 0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.85 3gkf h PHE 79 Cb 1.08 0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 3gkf h PHE 79 CO 0.00 -0.06 0.28 1.05 -0.60 0.00 0.00 178.31 178.98 3gkf h GLU 80 N 0.07 0.00 -0.65 1.51 4.11 -1.82 -0.41 114.58 117.39 3gkf h GLU 80 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3gkf h GLU 80 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3gkf h GLU 80 CO -0.24 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.56 3gkf n HIS 81 N -3.53 1.26 -4.20 2.06 8.25 -0.88 -4.88 115.22 113.30 3gkf n HIS 81 Ca 0.02 -0.52 -0.29 0.00 -0.26 0.00 0.00 57.72 56.67 3gkf n HIS 81 Cb 0.40 -0.17 -0.09 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.65 3.11 0.02 -1.41 0.00 -0.16 -4.90 121.76 116.78 3gkf s ALA 82 Ca 0.46 -1.27 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 3gkf s ALA 82 Cb 0.28 -0.98 -0.31 0.00 0.00 0.00 0.00 23.12 22.11 3gkf s ALA 82 CO 0.25 0.59 1.04 -0.44 0.00 0.00 0.00 175.76 177.19 3gkf h ASP 83 N 3.23 0.77 -4.02 0.00 3.32 -1.14 -3.47 116.42 115.11 3gkf h ASP 83 Ca -0.48 -0.87 -0.17 0.00 0.02 0.00 0.00 57.03 55.53 3gkf h ASP 83 Cb 1.18 -0.25 -0.25 0.00 0.22 0.00 0.00 39.33 40.23 3gkf h ASP 83 CO 0.56 1.57 -0.48 0.54 -1.72 0.00 0.00 179.24 179.71 3gkf s VAL 84 N -2.80 0.01 0.01 -1.35 0.11 -1.03 -4.14 120.40 111.22 3gkf s VAL 84 Ca -0.10 -0.12 -0.02 0.00 -2.93 0.00 0.00 61.98 58.80 3gkf s VAL 84 Cb 0.04 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 3gkf s VAL 84 CO 0.91 -0.07 0.19 -0.76 -3.33 0.00 0.00 175.10 172.05 3gkf s LEU 85 N -0.17 4.37 -0.16 2.54 1.43 0.39 -0.97 118.68 126.10 3gkf s LEU 85 Ca -0.03 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 3gkf s LEU 85 Cb -0.02 -2.72 0.04 0.00 0.03 0.00 0.00 46.19 43.52 3gkf s LEU 85 CO 0.01 0.23 -0.02 -0.32 0.23 0.00 0.00 176.35 176.48 3gkf s MET 86 N -2.11 1.13 0.37 1.70 -2.45 -0.60 -0.09 119.30 117.24 3gkf s MET 86 Ca 0.30 -0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 54.27 3gkf s MET 86 Cb -0.13 -1.90 0.02 0.00 1.25 0.00 0.00 34.83 34.07 3gkf s MET 86 CO 0.21 -0.47 0.55 0.00 1.05 0.00 0.00 175.02 176.37 3gkf s THR 88 N -2.77 3.58 0.27 0.00 -4.23 -1.26 -1.45 115.64 109.77 3gkf s THR 88 Ca 0.28 0.45 0.09 0.00 -1.18 0.00 0.00 61.69 61.32 3gkf s THR 88 Cb -0.02 -3.50 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 3gkf s THR 88 CO 0.20 -0.64 1.61 0.08 -0.54 0.00 0.00 174.62 175.33 3gkf h ARG 89 N -0.58 0.08 0.30 3.99 0.11 -1.97 -0.73 114.38 115.58 3gkf h ARG 89 Ca -0.45 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 3gkf h ARG 89 Cb 1.25 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.34 3gkf h ARG 89 CO 0.63 0.65 -0.14 0.78 0.10 0.00 0.00 179.97 181.99 3gkf h GLY 90 N 1.67 -0.42 0.88 0.08 0.00 -1.96 -1.92 103.07 101.40 3gkf h GLY 90 Ca -0.01 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3gkf h GLY 90 CO 0.08 -0.15 0.07 -2.22 0.00 0.00 0.00 176.54 174.32 3gkf h ILE 91 N -0.50 1.17 -0.51 2.60 1.08 -1.92 -2.44 117.51 116.99 3gkf h ILE 91 Ca -0.04 -0.51 0.10 0.00 -0.39 0.00 0.00 64.86 64.02 3gkf h ILE 91 Cb 0.37 1.18 -0.09 0.00 -3.07 0.00 0.00 36.82 35.21 3gkf h ILE 91 CO 0.07 0.16 -0.02 0.25 -0.69 0.00 0.00 178.15 177.92 3gkf h LEU 92 N 0.13 -0.25 -0.45 1.44 5.85 -1.09 -0.04 115.31 120.89 3gkf h LEU 92 Ca 0.06 0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.76 3gkf h LEU 92 Cb 0.19 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3gkf h LEU 92 CO -0.00 -0.09 -0.34 0.03 -0.34 0.00 0.00 178.44 177.70 3gkf h ARG 93 N 0.10 0.92 0.05 1.25 3.08 -1.19 -2.88 114.38 115.70 3gkf h ARG 93 Ca 0.26 -0.46 -0.23 0.00 0.07 0.00 0.00 59.98 59.62 3gkf h ARG 93 Cb 0.40 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.47 3gkf h ARG 93 CO -0.44 1.11 -0.93 0.66 -1.07 0.00 0.00 179.97 179.30 3gkf h SER 94 N 0.77 0.74 0.00 7.04 4.64 -0.91 -3.42 113.55 122.41 3gkf h SER 94 Ca 0.07 -0.79 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 3gkf h SER 94 Cb 0.92 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 3gkf h SER 94 CO 0.09 1.44 0.00 1.33 -0.87 0.00 0.00 176.83 178.82 3gkf n VAL 95 N -3.99 0.04 -3.56 0.95 0.24 -0.09 -4.98 118.33 106.95 3gkf n VAL 95 Ca -0.12 -0.18 -0.39 0.00 -2.04 0.00 0.00 64.34 61.61 3gkf n VAL 95 Cb 0.83 1.57 -0.11 0.00 -1.47 0.00 0.00 33.84 34.67 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 -0.04 5.29 0.08 3.34 1.01 -1.09 -4.70 120.40 124.30 3gkf s VAL 96 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.66 3gkf s VAL 96 Cb 0.00 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 3gkf s VAL 96 CO 0.00 0.13 1.41 -2.84 0.00 0.00 0.00 175.10 173.80 3gkf s PRO 97 N 1.74 4.30 0.43 2.72 0.02 -1.26 -4.72 135.00 138.23 3gkf s PRO 97 Ca 0.07 2.07 0.19 0.00 0.02 0.00 0.00 61.00 63.35 3gkf s PRO 97 Cb -0.17 -3.35 1.13 0.00 0.02 0.00 0.00 34.50 32.13 3gkf s PRO 97 CO 0.11 -0.49 1.86 -1.35 -0.33 0.00 0.00 177.00 176.80 3gkf h PRO 98 N 7.16 0.35 0.00 5.54 0.11 -1.96 0.18 132.00 143.38 3gkf h PRO 98 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gkf h PRO 98 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gkf h PRO 98 CO 0.88 0.23 0.00 0.00 -0.21 0.00 0.00 178.00 178.90 3gkf n ALA 99 N -2.54 2.00 0.27 -0.75 0.00 -1.26 -2.51 120.51 115.72 3gkf n ALA 99 Ca 0.19 -0.09 0.18 0.00 0.00 0.00 0.00 53.44 53.72 3gkf n ALA 99 Cb 0.72 -1.29 0.89 0.00 0.00 0.00 0.00 19.45 19.76 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 0.18 -6.35 0.00 2.02 -1.01 -3.45 112.91 104.30 3gkf h THR 100 Ca 0.00 0.00 -0.49 0.00 0.77 0.00 0.00 66.41 66.69 3gkf h THR 100 Cb 0.15 0.77 -0.15 0.00 -1.74 0.00 0.00 68.15 67.17 3gkf h THR 100 CO 0.00 0.00 -0.74 -3.20 0.37 0.00 0.00 175.52 171.95 3gkf n ASN 101 N -3.28 -3.61 -4.32 4.18 5.15 -1.04 -4.87 115.26 107.46 3gkf n ASN 101 Ca 0.00 -0.81 -0.28 0.00 -0.60 0.00 0.00 54.58 52.90 3gkf n ASN 101 Cb 0.34 -2.95 -0.14 0.00 -0.53 0.00 0.00 39.78 36.50 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 -6.64 1.49 0.32 1.20 6.06 -1.26 -5.11 118.95 115.01 3gkf s ARG 102 Ca 0.65 -1.14 -0.29 0.00 -2.50 0.00 0.00 55.73 52.45 3gkf s ARG 102 Cb -0.35 -1.75 -0.10 0.00 0.06 0.00 0.00 34.95 32.81 3gkf s ARG 102 CO 0.80 0.44 1.41 -2.14 -2.50 0.00 0.00 175.30 173.30 3gkf s PRO 103 N -1.53 4.25 0.11 5.12 0.02 -1.26 -4.82 135.00 136.89 3gkf s PRO 103 Ca 0.10 2.35 0.11 0.00 0.02 0.00 0.00 61.00 63.58 3gkf s PRO 103 Cb -0.10 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 31.33 3gkf s PRO 103 CO 0.03 -0.37 -0.27 0.14 -0.33 0.00 0.00 177.00 176.20 3gkf s VAL 104 N -0.73 2.23 -0.33 3.83 -7.23 -1.26 -0.46 120.40 116.45 3gkf s VAL 104 Ca 0.54 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 59.01 3gkf s VAL 104 Cb -0.43 -1.95 0.05 0.00 0.56 0.00 0.00 36.38 34.61 3gkf s VAL 104 CO 0.52 0.17 0.07 -0.69 -0.31 0.00 0.00 175.10 174.86 3gkf s VAL 105 N -0.99 3.40 0.08 1.32 1.01 0.86 -1.07 120.40 125.02 3gkf s VAL 105 Ca 0.13 -1.33 -0.31 0.00 0.00 0.00 0.00 61.98 60.48 3gkf s VAL 105 Cb -0.10 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 3gkf s VAL 105 CO 0.05 -0.20 1.24 -0.76 0.00 0.00 0.00 175.10 175.43 3gkf s LEU 106 N 1.32 4.38 -0.14 3.92 1.43 -0.29 -3.28 118.68 126.02 3gkf s LEU 106 Ca -0.02 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 3gkf s LEU 106 Cb -0.20 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 3gkf s LEU 106 CO 0.01 -0.50 1.21 -0.60 0.23 0.00 0.00 176.35 176.70 3gkf s ARG 107 N 0.95 4.28 -0.10 1.70 6.06 -0.53 -0.12 118.95 131.20 3gkf s ARG 107 Ca 0.59 1.62 0.14 0.00 -2.50 0.00 0.00 55.73 55.58 3gkf s ARG 107 Cb -0.31 -3.68 0.24 0.00 0.06 0.00 0.00 34.95 31.26 3gkf s ARG 107 CO 0.30 -0.61 1.14 0.00 -2.50 0.00 0.00 175.30 173.64 3gkf n ALA 108 N 6.11 2.26 -2.55 6.12 0.00 0.51 -4.53 120.51 128.42 3gkf n ALA 108 Ca 0.13 -2.13 -0.26 0.00 0.00 0.00 0.00 53.44 51.18 3gkf n ALA 108 Cb 0.46 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.24 3.85 0.00 0.00 1.04 -1.20 0.14 113.70 115.28 3gkf s SER 109 Ca 0.25 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.50 3gkf s SER 109 Cb 0.21 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.94 3gkf s SER 109 CO 0.03 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.62 3gkf n GLY 110 N -0.85 -0.56 2.04 7.32 0.00 -0.42 -4.62 105.19 108.10 3gkf n GLY 110 Ca -0.05 -0.76 -0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.50 4.61 0.00 -1.26 -0.47 120.51 120.89 3gkf n ALA 111 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 3gkf n ALA 111 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.17 5.11 0.14 0.00 4.22 -1.22 -4.76 114.94 116.26 3gkf s ASN 112 Ca 0.00 -0.58 0.02 0.00 -2.14 0.00 0.00 52.86 50.16 3gkf s ASN 112 Cb 0.00 -0.89 -0.04 0.00 1.28 0.00 0.00 41.25 41.60 3gkf s ASN 112 CO 0.00 -0.35 -0.04 -0.44 -2.04 0.00 0.00 177.10 174.23 3gkf s SER 113 N -3.96 1.26 0.00 3.54 0.01 -1.26 -4.44 113.70 108.85 3gkf s SER 113 Ca 0.40 -1.08 0.20 0.00 1.31 0.00 0.00 55.95 56.78 3gkf s SER 113 Cb -0.05 0.09 1.15 0.00 0.21 0.00 0.00 66.02 67.43 3gkf s SER 113 CO 0.25 -0.50 1.61 2.30 0.41 0.00 0.00 173.24 177.32 3gkf n ILE 114 N -0.15 0.12 1.10 1.44 -5.35 -0.76 -2.59 119.36 113.17 3gkf n ILE 114 Ca -0.09 0.03 0.12 0.00 -0.27 0.00 0.00 62.75 62.53 3gkf n ILE 114 Cb 0.62 -0.71 0.18 0.00 -1.74 0.00 0.00 39.64 37.99 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 -1.08 1.26 0.00 7.28 4.77 -1.26 -4.96 117.00 123.01 3gkf n LEU 115 Ca 0.14 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.71 3gkf n LEU 115 Cb 0.09 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3gkf n LEU 115 CO 0.12 0.25 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 3gkf n ALA 116 N -0.68 0.00 -1.69 -1.18 0.00 -1.07 -5.09 120.51 110.80 3gkf n ALA 116 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 3gkf n ALA 116 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 2.67 -0.20 0.00 4.07 -1.26 -4.73 120.64 121.19 3gkf n GLU 117 Ca 0.00 0.97 -0.03 0.00 -0.06 0.00 0.00 57.16 58.04 3gkf n GLU 117 Cb 0.00 -2.85 0.16 0.00 -0.06 0.00 0.00 31.44 28.69 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 8.32 0.90 0.00 4.31 5.85 -1.95 -2.95 115.31 129.78 3gkf h LEU 118 Ca -0.46 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3gkf h LEU 118 Cb 1.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3gkf h LEU 118 CO 0.94 0.82 0.00 -1.54 -0.34 0.00 0.00 178.44 178.32 3gkf n SER 119 N -4.29 0.00 -4.33 1.25 3.41 -1.26 -4.56 113.62 103.84 3gkf n SER 119 Ca 0.06 -0.99 -0.43 0.00 -0.26 0.00 0.00 58.87 57.25 3gkf n SER 119 Cb 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 3gkf n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkf n ASN 120 N -0.96 4.74 -4.49 4.04 5.15 -1.12 -4.50 115.26 118.12 3gkf n ASN 120 Ca 0.21 -2.92 -0.29 0.00 -0.60 0.00 0.00 54.58 50.98 3gkf n ASN 120 Cb 0.09 -1.69 -0.11 0.00 -0.53 0.00 0.00 39.78 37.54 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 3.45 1.79 0.27 1.20 2.02 -1.26 -3.42 118.70 122.75 3gkf s GLU 121 Ca 0.50 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 54.30 3gkf s GLU 121 Cb 0.06 -2.09 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 3gkf s GLU 121 CO 0.03 0.46 0.03 0.00 0.02 0.00 0.00 175.26 175.80 3gkf s ALA 122 N -1.28 2.04 0.16 5.21 0.00 0.38 -4.71 121.76 123.57 3gkf s ALA 122 Ca 0.19 -1.90 -0.31 0.00 0.00 0.00 0.00 51.96 49.94 3gkf s ALA 122 Cb -0.10 0.62 -0.09 0.00 0.00 0.00 0.00 23.12 23.55 3gkf s ALA 122 CO 0.11 -0.29 1.40 0.08 0.00 0.00 0.00 175.76 177.06 3gkf s VAL 123 N -3.39 3.10 -1.57 0.00 1.01 -1.26 -1.30 120.40 116.99 3gkf s VAL 123 Ca 0.33 0.84 0.14 0.00 0.00 0.00 0.00 61.98 63.28 3gkf s VAL 123 Cb 0.07 -3.54 0.20 0.00 0.00 0.00 0.00 36.38 33.11 3gkf s VAL 123 CO 0.12 0.09 1.06 0.00 0.00 0.00 0.00 175.10 176.37 3gkf n ALA 124 N 3.39 2.40 -3.54 5.51 0.00 0.36 -4.84 120.51 123.80 3gkf n ALA 124 Ca 0.10 -0.79 -0.12 0.00 0.00 0.00 0.00 53.44 52.63 3gkf n ALA 124 Cb 0.42 -0.50 -0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.11 -0.46 0.40 0.00 0.05 -1.25 -4.92 118.68 111.39 3gkf s LEU 125 Ca 0.20 0.40 -0.23 0.00 0.05 0.00 0.00 54.13 54.55 3gkf s LEU 125 Cb 0.13 2.13 -0.10 0.00 -2.05 0.00 0.00 46.19 46.29 3gkf s LEU 125 CO 0.18 -0.50 0.97 -0.94 -0.55 0.00 0.00 176.35 175.51 3gkf s SER 126 N -1.47 6.95 0.57 1.48 1.04 -1.26 -4.91 113.70 116.09 3gkf s SER 126 Ca -0.03 1.80 0.25 0.00 0.48 0.00 0.00 55.95 58.46 3gkf s SER 126 Cb -0.00 -2.56 1.62 0.00 0.10 0.00 0.00 66.02 65.18 3gkf s SER 126 CO 0.01 -0.35 2.19 -0.03 0.98 0.00 0.00 173.24 176.04 3gkf h MET 127 N 2.27 0.00 -0.24 4.02 4.05 -1.97 -0.68 114.93 122.39 3gkf h MET 127 Ca -0.48 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 58.99 3gkf h MET 127 Cb 1.19 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.93 3gkf h MET 127 CO 0.62 0.00 -0.17 0.22 0.23 0.00 0.00 176.91 177.81 3gkf h ASP 128 N 0.00 -0.55 0.10 1.39 3.58 -1.97 0.12 116.42 119.08 3gkf h ASP 128 Ca 0.03 0.11 -0.17 0.00 0.42 0.00 0.00 57.03 57.42 3gkf h ASP 128 Cb 0.14 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 3gkf h ASP 128 CO -0.00 -0.21 -0.62 -0.78 -2.88 0.00 0.00 179.24 174.75 3gkf h ASP 129 N -0.16 0.59 -0.75 2.28 3.58 -1.54 -0.88 116.42 119.53 3gkf h ASP 129 Ca 0.13 -0.34 0.05 0.00 0.42 0.00 0.00 57.03 57.30 3gkf h ASP 129 Cb 0.36 -0.17 -0.06 0.00 1.72 0.00 0.00 39.33 41.19 3gkf h ASP 129 CO -0.33 1.06 0.45 0.00 -2.88 0.00 0.00 179.24 177.54 3gkf h ALA 130 N 0.94 1.01 -0.36 -0.78 0.00 -0.70 0.15 119.26 119.53 3gkf h ALA 130 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 3gkf h ALA 130 Cb 1.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3gkf h ALA 130 CO 0.11 0.17 -0.33 0.28 0.00 0.00 0.00 179.25 179.49 3gkf h VAL 131 N 0.83 1.28 0.00 0.00 2.07 -0.67 -2.24 116.25 117.53 3gkf h VAL 131 Ca 0.33 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 3gkf h VAL 131 Cb 0.15 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3gkf h VAL 131 CO -0.16 0.49 -0.08 -0.09 0.02 0.00 0.00 177.57 177.74 3gkf h ARG 132 N 0.67 0.00 -0.24 1.57 2.43 0.18 -1.83 114.38 117.16 3gkf h ARG 132 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3gkf h ARG 132 Cb 0.87 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 3gkf h ARG 132 CO 0.08 0.08 0.00 1.28 -1.51 0.00 0.00 179.97 179.90 3gkf n LEU 133 N -4.30 2.25 -3.54 3.80 4.77 0.40 -4.96 117.00 115.43 3gkf n LEU 133 Ca -0.03 -0.96 -0.21 0.00 -0.03 0.00 0.00 56.01 54.78 3gkf n LEU 133 Cb 0.16 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3gkf n LEU 133 CO 0.34 0.48 0.19 -3.20 -1.33 0.00 0.00 177.39 173.87 3gkf n ASN 134 N 0.71 -4.68 -4.82 -1.43 5.15 -0.69 -4.96 115.26 104.55 3gkf n ASN 134 Ca 0.17 -0.57 -0.31 0.00 -0.60 0.00 0.00 54.58 53.26 3gkf n ASN 134 Cb 0.42 -5.06 0.03 0.00 -0.53 0.00 0.00 39.78 34.64 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 -3.73 5.64 0.12 1.20 0.01 -0.89 -4.75 113.70 111.29 3gkf s SER 135 Ca 0.36 1.65 0.22 0.00 1.31 0.00 0.00 55.95 59.49 3gkf s SER 135 Cb -0.16 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.46 3gkf s SER 135 CO 0.73 -1.27 0.86 0.00 0.41 0.00 0.00 173.24 173.97 3gkf s ALA 137 N -3.40 -2.05 0.08 0.00 0.00 -1.23 -4.08 121.76 111.08 3gkf s ALA 137 Ca -0.03 1.18 0.10 0.00 0.00 0.00 0.00 51.96 53.21 3gkf s ALA 137 Cb 0.11 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 3gkf s ALA 137 CO 0.83 -0.76 -0.26 0.14 0.00 0.00 0.00 175.76 175.71 3gkf s VAL 138 N -2.58 2.15 0.05 0.00 -7.23 -0.71 -1.13 120.40 110.96 3gkf s VAL 138 Ca 0.10 -1.53 0.06 0.00 -1.81 0.00 0.00 61.98 58.80 3gkf s VAL 138 Cb 0.01 -1.87 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 3gkf s VAL 138 CO -0.05 0.24 -0.16 0.00 -0.31 0.00 0.00 175.10 174.83 3gkf s ALA 139 N -0.92 1.32 0.13 1.32 0.00 0.84 -0.10 121.76 124.35 3gkf s ALA 139 Ca 0.12 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 3gkf s ALA 139 Cb -0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 3gkf s ALA 139 CO 0.04 0.25 0.24 0.00 0.00 0.00 0.00 175.76 176.28 3gkf s ALA 140 N -0.97 -0.05 -0.02 0.00 0.00 -0.63 0.19 121.76 120.28 3gkf s ALA 140 Ca 0.02 -0.81 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 3gkf s ALA 140 Cb -0.09 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 3gkf s ALA 140 CO 0.02 -0.59 0.34 -0.65 0.00 0.00 0.00 175.76 174.88 3gkf s GLN 141 N -3.93 3.76 -0.00 0.00 -1.52 -1.26 -0.55 119.66 116.16 3gkf s GLN 141 Ca 0.13 0.22 0.04 0.00 -1.95 0.00 0.00 55.36 53.80 3gkf s GLN 141 Cb 0.04 -3.18 -0.03 0.00 -0.22 0.00 0.00 33.01 29.62 3gkf s GLN 141 CO -0.04 0.69 -0.12 0.54 -0.25 0.00 0.00 175.29 176.11 3gkf s VAL 142 N -1.12 3.24 -0.57 1.09 0.11 0.13 -4.76 120.40 118.53 3gkf s VAL 142 Ca 0.23 -0.87 0.07 0.00 -2.93 0.00 0.00 61.98 58.48 3gkf s VAL 142 Cb -0.15 -2.36 0.25 0.00 -1.53 0.00 0.00 36.38 32.59 3gkf s VAL 142 CO 0.12 0.44 0.68 -1.22 -3.33 0.00 0.00 175.10 171.78 3gkf n TYR 143 N 1.78 2.49 -1.72 1.54 4.01 -1.26 -0.79 117.16 123.22 3gkf n TYR 143 Ca -0.16 -3.99 -0.42 0.00 -0.16 0.00 0.00 57.90 53.17 3gkf n TYR 143 Cb 0.52 -0.49 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 1.05 2.04 0.00 -0.72 2.08 -1.26 -1.86 119.36 120.68 3gkf n ILE 144 Ca 0.27 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.08 3gkf n ILE 144 Cb 0.44 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.67 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 0.70 2.92 3.93 7.39 0.00 -1.26 -4.94 105.19 113.92 3gkf n GLY 145 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -1.91 4.30 0.31 1.61 0.01 -0.78 -4.98 113.70 112.25 3gkf s SER 146 Ca 0.00 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.66 3gkf s SER 146 Cb 0.00 -0.82 0.52 0.00 0.21 0.00 0.00 66.02 65.92 3gkf s SER 146 CO 0.00 -1.96 1.87 -0.08 0.41 0.00 0.00 173.24 173.48 3gkf h GLU 147 N -0.93 0.69 -0.83 12.44 4.81 -1.93 -2.91 114.58 125.91 3gkf h GLU 147 Ca -0.44 -0.13 -0.56 0.00 -0.13 0.00 0.00 59.36 58.10 3gkf h GLU 147 Cb 1.29 -0.11 -0.32 0.00 0.63 0.00 0.00 28.75 30.25 3gkf h GLU 147 CO 0.54 0.64 0.17 0.66 -0.73 0.00 0.00 179.01 180.28 3gkf n TYR 148 N -4.30 2.80 -0.01 0.92 4.01 -1.26 -4.69 117.16 114.63 3gkf n TYR 148 Ca 0.03 -2.51 -0.01 0.00 -0.16 0.00 0.00 57.90 55.25 3gkf n TYR 148 Cb 0.22 -0.93 0.27 0.00 -0.31 0.00 0.00 39.34 38.58 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 1.87 0.54 0.33 -0.72 4.81 -1.66 -1.67 114.58 118.08 3gkf h GLU 149 Ca 0.48 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 3gkf h GLU 149 Cb 1.30 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3gkf h GLU 149 CO 1.13 0.60 -0.16 1.25 -0.73 0.00 0.00 179.01 181.10 3gkf h HIS 150 N 0.51 -0.42 -0.75 0.92 2.76 -1.87 -2.31 115.15 114.00 3gkf h HIS 150 Ca 0.10 -0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.39 3gkf h HIS 150 Cb 0.41 0.14 -0.09 0.00 1.55 0.00 0.00 27.41 29.42 3gkf h HIS 150 CO 0.01 -0.16 0.34 0.37 -1.30 0.00 0.00 177.93 177.19 3gkf h GLN 151 N -0.61 0.50 -0.90 5.26 5.75 -1.91 -1.20 115.11 122.00 3gkf h GLN 151 Ca -0.05 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3gkf h GLN 151 Cb 0.44 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.83 3gkf h GLN 151 CO 0.08 0.33 0.59 0.66 -2.65 0.00 0.00 178.83 177.84 3gkf h SER 152 N 0.52 1.00 -0.22 -0.69 4.64 -1.00 0.19 113.55 117.99 3gkf h SER 152 Ca 0.40 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3gkf h SER 152 Cb 0.54 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3gkf h SER 152 CO -0.35 0.70 -0.25 0.40 -0.87 0.00 0.00 176.83 176.46 3gkf h ILE 153 N 1.17 1.32 -1.00 0.95 2.04 -0.84 -2.46 117.51 118.69 3gkf h ILE 153 Ca 0.35 -1.43 0.21 0.00 1.00 0.00 0.00 64.86 64.99 3gkf h ILE 153 Cb -0.05 1.73 -0.10 0.00 -0.74 0.00 0.00 36.82 37.66 3gkf h ILE 153 CO -0.10 0.44 0.62 0.11 0.00 0.00 0.00 178.15 179.22 3gkf h LYS 154 N 0.26 0.62 -0.38 2.37 1.57 -0.55 0.23 116.57 120.69 3gkf h LYS 154 Ca 0.03 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gkf h LYS 154 Cb 0.82 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 3gkf h LYS 154 CO 0.06 0.41 0.22 -0.91 -0.57 0.00 0.00 179.45 178.66 3gkf h ASN 155 N 0.64 0.46 -0.27 0.86 2.35 -0.56 0.11 115.58 119.16 3gkf h ASN 155 Ca 0.58 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 56.24 3gkf h ASN 155 Cb 1.08 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 3gkf h ASN 155 CO -0.36 0.40 0.12 0.40 -1.65 0.00 0.00 177.43 176.35 3gkf h ILE 156 N 0.49 1.16 -0.20 2.81 1.08 -0.25 -1.73 117.51 120.86 3gkf h ILE 156 Ca 0.13 -0.47 0.05 0.00 -0.39 0.00 0.00 64.86 64.19 3gkf h ILE 156 Cb 0.03 0.96 -0.05 0.00 -3.07 0.00 0.00 36.82 34.69 3gkf h ILE 156 CO -0.02 0.16 -0.14 0.40 -0.69 0.00 0.00 178.15 177.86 3gkf h ILE 157 N 0.30 0.59 -0.39 -0.67 2.04 -0.52 -0.04 117.51 118.82 3gkf h ILE 157 Ca 0.09 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.90 3gkf h ILE 157 Cb 0.14 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3gkf h ILE 157 CO -0.01 0.00 0.01 -0.61 0.00 0.00 0.00 178.15 177.54 3gkf h GLN 158 N -0.14 0.61 -0.44 2.37 4.15 -0.59 0.10 115.11 121.18 3gkf h GLN 158 Ca 0.12 -0.14 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 3gkf h GLN 158 Cb 0.32 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 3gkf h GLN 158 CO -0.29 0.63 0.04 -0.07 -1.93 0.00 0.00 178.83 177.21 3gkf h LEU 159 N 0.59 0.73 -0.54 -2.39 3.38 -0.69 -2.43 115.31 113.95 3gkf h LEU 159 Ca 0.12 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 3gkf h LEU 159 Cb 0.36 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3gkf h LEU 159 CO 0.01 0.83 0.24 0.58 0.09 0.00 0.00 178.44 180.19 3gkf h VAL 160 N 0.61 1.21 -0.83 1.22 2.07 -0.58 0.28 116.25 120.24 3gkf h VAL 160 Ca 0.13 -0.63 0.09 0.00 0.82 0.00 0.00 66.70 67.11 3gkf h VAL 160 Cb 0.44 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.75 3gkf h VAL 160 CO 0.02 0.25 0.47 0.44 0.02 0.00 0.00 177.57 178.77 3gkf h ASP 161 N 0.73 0.68 -0.17 0.57 3.32 -0.88 -0.93 116.42 119.75 3gkf h ASP 161 Ca 0.18 0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.10 3gkf h ASP 161 Cb 0.16 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.63 3gkf h ASP 161 CO -0.02 0.39 -0.60 0.00 -1.72 0.00 0.00 179.24 177.29 3gkf h ALA 162 N 1.45 0.30 -0.26 3.45 0.00 -1.09 -3.24 119.26 119.87 3gkf h ALA 162 Ca 0.40 -0.54 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3gkf h ALA 162 Cb 0.35 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gkf h ALA 162 CO -0.24 0.55 -0.21 0.78 0.00 0.00 0.00 179.25 180.13 3gkf h GLY 163 N 0.40 0.51 1.77 0.00 0.00 0.14 -2.52 103.07 103.37 3gkf h GLY 163 Ca -0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 3gkf h GLY 163 CO 0.13 0.36 -0.26 -0.33 0.00 0.00 0.00 176.54 176.45 3gkf h MET 164 N 0.43 0.28 0.00 4.80 2.07 -1.25 0.87 114.93 122.13 3gkf h MET 164 Ca 0.07 -0.09 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 3gkf h MET 164 Cb 0.61 -0.02 -0.00 0.00 -1.87 0.00 0.00 31.60 30.31 3gkf h MET 164 CO 0.04 0.52 -0.05 0.87 1.07 0.00 0.00 176.91 179.36 3gkf h LYS 165 N 0.25 0.00 0.00 1.72 1.57 -1.48 -3.34 116.57 115.30 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 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 3gkf h LYS 165 CO 0.04 0.05 0.00 1.55 -0.57 0.00 0.00 179.45 180.52 3gkf n VAL 166 N -3.37 0.00 -0.56 0.50 3.14 -0.41 -5.00 118.33 112.63 3gkf n VAL 166 Ca -0.02 -0.20 0.00 0.00 -2.96 0.00 0.00 64.34 61.17 3gkf n VAL 166 Cb 0.19 1.44 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 0.11 0.66 3.58 7.55 0.00 0.28 -4.96 105.19 112.41 3gkf n GLY 167 Ca 0.00 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 3gkf n GLY 167 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gkf s MET 168 N -1.02 3.88 0.51 1.61 0.00 0.39 -3.92 119.30 120.74 3gkf s MET 168 Ca 0.00 -0.35 -0.20 0.00 0.00 0.00 0.00 55.69 55.14 3gkf s MET 168 Cb 0.00 -3.69 -0.07 0.00 0.00 0.00 0.00 34.83 31.07 3gkf s MET 168 CO 0.00 -0.24 1.09 -2.14 0.00 0.00 0.00 175.02 173.74 3gkf s PRO 169 N 1.78 3.58 -0.09 4.11 0.02 -1.26 -4.32 135.00 138.83 3gkf s PRO 169 Ca 0.08 1.52 0.02 0.00 0.02 0.00 0.00 61.00 62.64 3gkf s PRO 169 Cb -0.16 -2.08 -0.02 0.00 0.02 0.00 0.00 34.50 32.26 3gkf s PRO 169 CO 0.11 -0.65 -0.15 0.99 -0.33 0.00 0.00 177.00 176.97 3gkf s THR 170 N -1.84 2.96 -0.23 0.99 2.01 -1.26 -1.73 115.64 116.55 3gkf s THR 170 Ca 0.70 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.91 3gkf s THR 170 Cb -0.21 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 3gkf s THR 170 CO 0.25 0.56 0.01 -0.32 -0.69 0.00 0.00 174.62 174.42 3gkf s MET 171 N -0.20 3.53 -0.20 4.92 1.75 0.86 -0.99 119.30 128.97 3gkf s MET 171 Ca 0.00 -0.55 -0.15 0.00 -1.25 0.00 0.00 55.69 53.74 3gkf s MET 171 Cb -0.13 -3.13 -0.04 0.00 2.84 0.00 0.00 34.83 34.36 3gkf s MET 171 CO 0.03 -0.14 0.35 0.00 -0.65 0.00 0.00 175.02 174.61 3gkf s ALA 172 N 1.41 3.57 -0.16 4.11 0.00 -0.01 -1.60 121.76 129.08 3gkf s ALA 172 Ca 0.05 -0.56 -0.05 0.00 0.00 0.00 0.00 51.96 51.40 3gkf s ALA 172 Cb -0.15 -2.55 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 3gkf s ALA 172 CO 0.00 -0.22 0.01 0.08 0.00 0.00 0.00 175.76 175.63 3gkf s VAL 173 N 1.13 4.29 -0.48 0.00 1.01 0.29 -0.95 120.40 125.69 3gkf s VAL 173 Ca 0.17 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.69 3gkf s VAL 173 Cb -0.14 -2.89 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3gkf s VAL 173 CO 0.07 0.50 0.87 0.42 0.00 0.00 0.00 175.10 176.96 3gkf s THR 174 N 0.21 4.53 0.08 3.92 -4.23 -0.82 0.22 115.64 119.54 3gkf s THR 174 Ca 0.01 0.51 -0.01 0.00 -1.18 0.00 0.00 61.69 61.02 3gkf s THR 174 Cb -0.13 -4.41 -0.04 0.00 1.34 0.00 0.00 72.50 69.25 3gkf s THR 174 CO 0.02 -0.85 0.24 -0.83 -0.54 0.00 0.00 174.62 172.66 3gkf s GLY 175 N 2.34 2.16 0.00 3.99 0.00 0.03 -4.82 107.32 111.02 3gkf s GLY 175 Ca 0.33 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.23 3gkf s GLY 175 CO 0.23 -0.79 0.00 -0.62 0.00 0.00 0.00 173.10 171.93 3gkf n VAL 176 N 0.20 0.00 -2.20 1.40 0.31 -1.26 -4.41 118.33 112.36 3gkf n VAL 176 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.25 3gkf n VAL 176 Cb 0.51 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.45 3gkf n VAL 176 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gkf n ARG 182 N 0.00 0.45 -4.01 5.55 0.63 -1.26 -5.07 116.66 112.95 3gkf n ARG 182 Ca 0.00 -0.84 -0.26 0.00 -0.92 0.00 0.00 57.85 55.83 3gkf n ARG 182 Cb 0.00 0.43 -0.03 0.00 0.45 0.00 0.00 32.46 33.30 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 -0.81 4.57 0.15 6.15 -4.77 -1.26 -4.97 116.67 115.73 3gkf s ASP 183 Ca 0.03 -1.19 -0.24 0.00 -3.30 0.00 0.00 52.55 47.85 3gkf s ASP 183 Cb 0.15 0.09 0.02 0.00 -1.09 0.00 0.00 42.92 42.09 3gkf s ASP 183 CO -0.04 -0.89 1.62 -0.61 0.70 0.00 0.00 175.17 175.95 3gkf h GLN 184 N 1.02 -0.29 -0.98 2.11 -0.00 -1.91 -1.62 115.11 113.44 3gkf h GLN 184 Ca -0.40 0.02 0.17 0.00 -0.00 0.00 0.00 58.65 58.44 3gkf h GLN 184 Cb 1.29 0.07 -0.09 0.00 0.00 0.00 0.00 27.48 28.74 3gkf h GLN 184 CO 0.62 -0.19 0.61 0.07 0.00 0.00 0.00 178.83 179.94 3gkf h ARG 185 N -0.30 0.74 0.35 1.69 0.11 -1.94 0.30 114.38 115.34 3gkf h ARG 185 Ca 0.13 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.15 3gkf h ARG 185 Cb 0.50 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 31.42 3gkf h ARG 185 CO -0.40 0.49 -0.17 -0.92 0.10 0.00 0.00 179.97 179.08 3gkf h TYR 186 N 0.76 -0.44 0.00 4.08 3.20 -1.72 -2.51 116.97 120.35 3gkf h TYR 186 Ca 0.53 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.36 3gkf h TYR 186 Cb 0.81 0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 3gkf h TYR 186 CO -0.00 -0.13 -0.11 0.74 -1.64 0.00 0.00 178.16 177.02 3gkf h PHE 187 N -0.76 0.00 -0.16 -3.82 0.04 -0.61 -1.11 116.94 110.52 3gkf h PHE 187 Ca -0.05 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3gkf h PHE 187 Cb 0.51 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 3gkf h PHE 187 CO 0.01 0.11 0.10 0.77 -0.60 0.00 0.00 178.31 178.71 3gkf h SER 188 N 0.00 0.19 -0.01 2.17 0.02 -0.37 0.89 113.55 116.45 3gkf h SER 188 Ca -0.00 -0.02 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3gkf h SER 188 Cb 0.23 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3gkf h SER 188 CO 0.01 0.16 -0.08 0.25 -1.14 0.00 0.00 176.83 176.03 3gkf h LEU 189 N 0.21 -0.24 -0.29 5.07 5.85 -0.78 -1.44 115.31 123.68 3gkf h LEU 189 Ca 0.06 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3gkf h LEU 189 Cb -0.00 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3gkf h LEU 189 CO -0.01 -0.12 -0.06 0.00 -0.34 0.00 0.00 178.44 177.90 3gkf h ALA 190 N 0.86 0.40 -0.41 1.25 0.00 -1.16 -0.79 119.26 119.41 3gkf h ALA 190 Ca 0.04 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 3gkf h ALA 190 Cb 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gkf h ALA 190 CO -0.09 0.21 -0.13 1.79 0.00 0.00 0.00 179.25 181.03 3gkf h THR 191 N 0.32 1.28 -0.20 0.00 1.35 -0.77 -2.42 112.91 112.47 3gkf h THR 191 Ca 0.07 -1.24 -0.03 0.00 -0.55 0.00 0.00 66.41 64.66 3gkf h THR 191 Cb 0.54 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 3gkf h THR 191 CO 0.03 0.42 -0.01 -0.09 -0.25 0.00 0.00 175.52 175.61 3gkf h ARG 192 N 0.62 0.35 -0.08 4.72 9.65 -1.14 -0.69 114.38 127.82 3gkf h ARG 192 Ca 0.10 -0.12 0.04 0.00 -1.10 0.00 0.00 59.98 58.90 3gkf h ARG 192 Cb 0.66 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.17 3gkf h ARG 192 CO 0.05 0.57 -0.18 0.82 2.80 0.00 0.00 179.97 184.02 3gkf h ILE 193 N 0.10 0.54 -0.43 1.20 2.04 -1.14 0.17 117.51 119.99 3gkf h ILE 193 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 3gkf h ILE 193 Cb 0.41 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 3gkf h ILE 193 CO 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 178.06 3gkf h ALA 194 N 0.73 0.29 -0.53 1.87 0.00 -1.28 0.30 119.26 120.64 3gkf h ALA 194 Ca 0.08 0.17 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3gkf h ALA 194 Cb 0.37 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3gkf h ALA 194 CO -0.23 -0.45 -0.06 0.00 0.00 0.00 0.00 179.25 178.51 3gkf h ALA 195 N 1.43 0.90 -0.44 0.00 0.00 -0.67 -1.69 119.26 118.80 3gkf h ALA 195 Ca 0.21 -0.32 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3gkf h ALA 195 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gkf h ALA 195 CO -0.44 0.64 -0.22 1.49 0.00 0.00 0.00 179.25 180.72 3gkf h GLU 196 N 0.85 0.90 -0.15 0.00 4.57 0.04 -1.74 114.58 119.05 3gkf h GLU 196 Ca 0.15 -0.37 0.02 0.00 -1.18 0.00 0.00 59.36 57.98 3gkf h GLU 196 Cb 0.58 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 3gkf h GLU 196 CO 0.04 1.02 0.10 0.52 -1.18 0.00 0.00 179.01 179.51 3gkf h MET 197 N 0.78 0.11 0.00 1.92 2.86 0.49 -3.45 114.93 117.63 3gkf h MET 197 Ca 0.10 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3gkf h MET 197 Cb 0.77 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3gkf h MET 197 CO 0.06 0.07 0.00 0.41 1.06 0.00 0.00 176.91 178.51 3gkf n GLY 198 N -1.54 -0.21 3.72 8.32 0.00 -0.66 -4.93 105.19 109.90 3gkf n GLY 198 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gkf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 199 N 0.00 2.75 0.08 4.61 0.00 -1.08 -4.87 120.51 122.00 3gkf n ALA 199 Ca 0.00 0.40 -0.00 0.00 0.00 0.00 0.00 53.44 53.83 3gkf n ALA 199 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 19.45 16.90 3gkf n ALA 199 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gkf h GLN 200 N 6.29 0.00 -5.41 0.00 7.50 -1.40 -3.42 115.11 118.66 3gkf h GLN 200 Ca -0.44 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.14 3gkf h GLN 200 Cb 1.21 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.43 3gkf h GLN 200 CO 0.92 0.51 -0.84 0.42 -1.50 0.00 0.00 178.83 178.33 3gkf s ILE 201 N -2.89 1.49 -0.12 2.54 1.01 -0.75 -3.82 121.20 118.66 3gkf s ILE 201 Ca 0.01 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 3gkf s ILE 201 Cb 0.08 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 3gkf s ILE 201 CO 0.78 0.43 -0.09 -0.63 0.00 0.00 0.00 174.94 175.43 3gkf s ILE 202 N -0.03 3.46 -0.13 2.92 -1.09 -0.56 -0.83 121.20 124.95 3gkf s ILE 202 Ca -0.03 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 57.88 3gkf s ILE 202 Cb -0.11 -2.46 -0.01 0.00 -1.58 0.00 0.00 42.46 38.30 3gkf s ILE 202 CO 0.02 0.53 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.34 3gkf s LYS 203 N 0.02 3.22 0.16 2.79 2.20 -0.12 -0.39 119.74 127.63 3gkf s LYS 203 Ca -0.02 -0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 54.79 3gkf s LYS 203 Cb -0.14 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.68 3gkf s LYS 203 CO 0.03 0.15 0.25 -2.37 -0.36 0.00 0.00 175.35 173.05 3gkf n THR 204 N 3.68 0.00 -3.95 3.43 5.66 0.71 -1.94 114.28 121.86 3gkf n THR 204 Ca -0.19 -0.68 -0.31 0.00 -3.05 0.00 0.00 64.05 59.82 3gkf n THR 204 Cb 0.53 0.47 -0.05 0.00 -1.55 0.00 0.00 70.33 69.73 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 -4.68 3.46 0.48 1.09 2.02 -1.26 0.47 117.35 118.93 3gkf s TYR 205 Ca 0.11 0.23 -0.20 0.00 -0.37 0.00 0.00 57.07 56.84 3gkf s TYR 205 Cb -0.01 -1.74 -0.09 0.00 -0.40 0.00 0.00 41.96 39.72 3gkf s TYR 205 CO 0.08 0.58 1.02 -0.47 -1.57 0.00 0.00 175.55 175.19 3gkf s TYR 206 N -1.46 3.08 -0.05 2.71 5.04 -1.26 -4.95 117.35 120.47 3gkf s TYR 206 Ca 0.33 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.55 3gkf s TYR 206 Cb -0.13 -3.01 0.02 0.00 0.35 0.00 0.00 41.96 39.19 3gkf s TYR 206 CO 0.26 -0.66 -0.06 0.08 -1.34 0.00 0.00 175.55 173.82 3gkf s VAL 207 N -2.06 0.68 0.39 3.14 1.01 -1.26 -5.03 120.40 117.27 3gkf s VAL 207 Ca 0.66 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.51 3gkf s VAL 207 Cb -0.14 -0.67 0.19 0.00 0.00 0.00 0.00 36.38 35.76 3gkf s VAL 207 CO 0.19 0.25 1.95 -0.33 0.00 0.00 0.00 175.10 177.17 3gkf h GLU 208 N 7.07 0.34 -5.08 2.72 5.08 -1.97 -3.34 114.58 119.40 3gkf h GLU 208 Ca -0.36 -0.06 -0.67 0.00 -1.00 0.00 0.00 59.36 57.27 3gkf h GLU 208 Cb 1.16 -0.06 -0.34 0.00 0.50 0.00 0.00 28.75 30.01 3gkf h GLU 208 CO 0.48 0.38 -0.85 0.21 -1.00 0.00 0.00 179.01 178.22 3gkf s LYS 209 N -4.96 3.02 0.00 2.33 2.20 -1.26 -4.77 119.74 116.30 3gkf s LYS 209 Ca -0.06 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 3gkf s LYS 209 Cb 0.16 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.91 3gkf s LYS 209 CO 0.73 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.95 3gkf n GLY 210 N 4.55 0.73 0.33 5.54 0.00 -1.26 -4.42 105.19 110.66 3gkf n GLY 210 Ca -0.21 -0.29 0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 0.36 -1.00 1.61 3.57 -1.86 -2.00 116.94 117.62 3gkf h PHE 211 Ca 0.00 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 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 0.19 0.65 0.93 -2.23 0.00 0.00 178.31 177.85 3gkf h GLU 212 N 0.35 1.20 -0.29 1.11 5.08 -1.92 -1.11 114.58 119.00 3gkf h GLU 212 Ca 0.21 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3gkf h GLU 212 Cb 0.39 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3gkf h GLU 212 CO -0.05 0.80 -0.12 0.00 -1.00 0.00 0.00 179.01 178.64 3gkf h ARG 213 N 1.24 0.49 0.04 2.33 3.08 -1.74 0.11 114.38 119.94 3gkf h ARG 213 Ca 0.41 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 3gkf h ARG 213 Cb 0.04 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3gkf h ARG 213 CO -0.14 0.61 -0.02 0.82 -1.07 0.00 0.00 179.97 180.18 3gkf h ILE 214 N 0.46 1.15 -0.10 2.04 2.04 -1.18 -0.74 117.51 121.19 3gkf h ILE 214 Ca 0.09 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3gkf h ILE 214 Cb 0.48 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3gkf h ILE 214 CO 0.03 0.16 0.05 0.58 0.00 0.00 0.00 178.15 178.97 3gkf h VAL 215 N -0.34 1.10 -0.91 1.67 2.07 -1.16 -2.22 116.25 116.45 3gkf h VAL 215 Ca -0.01 -0.28 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3gkf h VAL 215 Cb 0.31 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 3gkf h VAL 215 CO 0.01 0.09 0.60 0.00 0.02 0.00 0.00 177.57 178.28 3gkf h ALA 216 N 0.94 1.18 0.00 1.67 0.00 -0.74 -1.68 119.26 120.63 3gkf h ALA 216 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gkf h ALA 216 Cb 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gkf h ALA 216 CO -0.00 0.51 0.00 0.78 0.00 0.00 0.00 179.25 180.53 3gkf h GLY 217 N 1.20 0.00 -6.09 0.00 0.00 -1.02 -3.43 103.07 93.73 3gkf h GLY 217 Ca 0.35 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.08 3gkf h GLY 217 CO -0.09 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.36 3gkf n PRO 219 N 4.51 1.35 -4.26 0.00 -0.04 -1.26 -4.87 135.00 130.43 3gkf n PRO 219 Ca -0.06 -0.52 -0.14 0.00 -0.04 0.00 0.00 63.50 62.74 3gkf n PRO 219 Cb 0.51 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.42 3gkf n PRO 219 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gkf s VAL 220 N -1.97 0.55 0.44 0.52 -7.23 -1.26 -3.42 120.40 108.02 3gkf s VAL 220 Ca 0.39 -1.98 -0.24 0.00 -1.81 0.00 0.00 61.98 58.33 3gkf s VAL 220 Cb 0.20 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.73 3gkf s VAL 220 CO 0.32 -0.28 1.17 -2.65 -0.31 0.00 0.00 175.10 173.35 3gkf n PRO 221 N -0.31 1.66 -5.21 4.82 -0.02 -1.24 -4.77 135.00 129.94 3gkf n PRO 221 Ca -0.04 0.60 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 3gkf n PRO 221 Cb 0.64 -2.27 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 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 -1.24 2.26 0.04 4.25 1.01 -1.26 -1.49 121.20 124.76 3gkf s ILE 222 Ca 0.63 -1.02 0.09 0.00 0.00 0.00 0.00 60.65 60.35 3gkf s ILE 222 Cb -0.52 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3gkf s ILE 222 CO 0.56 0.58 -0.25 -0.69 0.00 0.00 0.00 174.94 175.14 3gkf s VAL 223 N -0.48 2.03 -0.09 2.92 1.01 0.48 0.14 120.40 126.42 3gkf s VAL 223 Ca 0.06 -1.31 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 3gkf s VAL 223 Cb -0.11 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 3gkf s VAL 223 CO 0.01 0.37 0.02 0.27 0.00 0.00 0.00 175.10 175.76 3gkf s ILE 224 N -0.77 4.48 0.29 2.22 -4.36 -0.84 -0.21 121.20 122.01 3gkf s ILE 224 Ca 0.11 -0.18 -0.18 0.00 -0.26 0.00 0.00 60.65 60.14 3gkf s ILE 224 Cb -0.10 -2.90 -0.09 0.00 1.25 0.00 0.00 42.46 40.63 3gkf s ILE 224 CO 0.02 0.60 0.76 0.00 0.24 0.00 0.00 174.94 176.55 3gkf s ALA 225 N -0.85 3.34 0.11 2.27 0.00 0.18 0.14 121.76 126.94 3gkf s ALA 225 Ca 0.13 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.10 3gkf s ALA 225 Cb -0.11 -2.84 -0.10 0.00 0.00 0.00 0.00 23.12 20.06 3gkf s ALA 225 CO 0.02 0.31 1.38 0.78 0.00 0.00 0.00 175.76 178.25 3gkf h GLY 226 N 2.79 0.87 0.00 0.00 0.00 -0.66 -3.39 103.07 102.67 3gkf h GLY 226 Ca -0.48 -1.02 0.00 0.00 0.00 0.00 0.00 47.33 45.83 3gkf h GLY 226 CO 0.65 0.92 0.00 0.61 0.00 0.00 0.00 176.54 178.72 3gkf n GLY 227 N 0.38 -1.50 3.72 4.60 0.00 -1.26 -4.92 105.19 106.22 3gkf n GLY 227 Ca -0.05 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.27 3gkf n GLY 227 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gkf s LYS 228 N 0.00 2.35 0.30 1.61 -2.85 -1.26 -4.47 119.74 115.42 3gkf s LYS 228 Ca 0.00 2.00 -0.30 0.00 -1.00 0.00 0.00 55.97 56.67 3gkf s LYS 228 Cb 0.00 -1.83 -0.12 0.00 -2.06 0.00 0.00 37.83 33.82 3gkf s LYS 228 CO 0.00 -1.73 1.50 1.17 0.10 0.00 0.00 175.35 176.38 3gkf n LYS 229 N -2.21 2.45 -4.45 1.78 3.00 -1.26 -4.83 118.16 112.64 3gkf n LYS 229 Ca 0.15 0.87 -0.22 0.00 -0.00 0.00 0.00 58.31 59.11 3gkf n LYS 229 Cb 0.49 -2.59 -0.10 0.00 0.00 0.00 0.00 35.03 32.82 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -0.59 2.48 0.34 3.14 1.43 -1.26 -5.04 118.68 119.17 3gkf s LEU 230 Ca 0.63 -1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 3gkf s LEU 230 Cb -0.54 -0.64 -0.11 0.00 0.03 0.00 0.00 46.19 44.93 3gkf s LEU 230 CO 0.52 -0.38 1.52 -0.81 0.23 0.00 0.00 176.35 177.44 3gkf n PRO 231 N -0.63 2.64 -0.19 1.29 -0.04 -1.26 -4.78 135.00 132.02 3gkf n PRO 231 Ca -0.05 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 3gkf n PRO 231 Cb 0.64 -2.67 0.10 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 3.75 0.18 -0.77 0.54 3.07 -1.99 0.23 114.58 119.60 3gkf h GLU 232 Ca -0.49 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 58.53 3gkf h GLU 232 Cb 1.24 -0.04 -0.11 0.00 -0.84 0.00 0.00 28.75 28.99 3gkf h GLU 232 CO 0.71 0.12 0.22 -0.09 -1.40 0.00 0.00 179.01 178.56 3gkf h ARG 233 N 0.18 0.29 -0.26 2.33 1.12 -1.98 0.20 114.38 116.26 3gkf h ARG 233 Ca 0.31 -0.02 -0.17 0.00 -1.11 0.00 0.00 59.98 58.99 3gkf h ARG 233 Cb 0.48 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.37 3gkf h ARG 233 CO -0.45 0.19 -0.53 0.93 -3.11 0.00 0.00 179.97 177.00 3gkf h GLU 234 N 0.30 0.74 -0.21 0.20 5.08 -0.93 -2.29 114.58 117.47 3gkf h GLU 234 Ca 0.44 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3gkf h GLU 234 Cb 0.77 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3gkf h GLU 234 CO -0.52 1.08 0.09 0.00 -1.00 0.00 0.00 179.01 178.66 3gkf h ALA 235 N 0.83 0.28 -0.87 3.43 0.00 -0.43 -1.50 119.26 121.00 3gkf h ALA 235 Ca 0.02 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.90 3gkf h ALA 235 Cb 1.10 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3gkf h ALA 235 CO 0.11 -0.14 0.52 -0.07 0.00 0.00 0.00 179.25 179.68 3gkf h LEU 236 N 0.20 0.79 -0.51 0.00 3.38 -0.62 0.14 115.31 118.68 3gkf h LEU 236 Ca 0.07 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3gkf h LEU 236 Cb 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3gkf h LEU 236 CO -0.01 0.47 0.24 -0.08 0.09 0.00 0.00 178.44 179.16 3gkf h GLU 237 N 0.91 0.74 -0.31 1.13 4.22 -1.10 0.49 114.58 120.66 3gkf h GLU 237 Ca 0.40 -0.11 0.06 0.00 0.08 0.00 0.00 59.36 59.79 3gkf h GLU 237 Cb 0.29 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 3gkf h GLU 237 CO -0.21 0.62 -0.02 1.98 -2.18 0.00 0.00 179.01 179.20 3gkf h MET 238 N 0.68 0.07 -0.01 1.92 4.05 -0.40 0.14 114.93 121.37 3gkf h MET 238 Ca 0.18 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.63 3gkf h MET 238 Cb 0.12 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.86 3gkf h MET 238 CO -0.02 0.05 -0.30 0.00 0.23 0.00 0.00 176.91 176.87 3gkf h TRP 240 N -0.44 0.66 -0.11 0.00 7.01 0.56 -0.99 115.95 122.65 3gkf h TRP 240 Ca 0.07 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 3gkf h TRP 240 Cb 0.53 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.39 3gkf h TRP 240 CO -0.33 0.28 0.04 1.96 -2.79 0.00 0.00 178.44 177.60 3gkf h GLN 241 N 0.65 0.16 0.01 2.65 1.08 -0.31 0.12 115.11 119.46 3gkf h GLN 241 Ca 0.32 -0.03 0.03 0.00 -1.45 0.00 0.00 58.65 57.52 3gkf h GLN 241 Cb 0.27 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.64 3gkf h GLN 241 CO -0.22 0.29 -0.20 0.00 -0.95 0.00 0.00 178.83 177.74 3gkf h ALA 242 N 0.87 -0.27 0.04 3.87 0.00 -0.22 0.22 119.26 123.77 3gkf h ALA 242 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gkf h ALA 242 Cb 0.19 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gkf h ALA 242 CO -0.00 -0.70 -0.12 0.82 0.00 0.00 0.00 179.25 179.25 3gkf h ILE 243 N -0.33 0.72 -0.66 0.00 1.08 -1.17 -0.95 117.51 116.20 3gkf h ILE 243 Ca 0.06 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.70 3gkf h ILE 243 Cb 0.40 0.72 -0.03 0.00 -3.07 0.00 0.00 36.82 34.84 3gkf h ILE 243 CO -0.18 0.00 0.46 -0.78 -0.69 0.00 0.00 178.15 176.96 3gkf h ASP 244 N -0.22 0.12 -0.53 1.72 3.58 -0.34 0.16 116.42 120.92 3gkf h ASP 244 Ca 0.03 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3gkf h ASP 244 Cb 0.25 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.29 3gkf h ASP 244 CO -0.09 0.06 0.00 0.00 -2.88 0.00 0.00 179.24 176.33 3gkf n GLN 245 N -4.40 3.04 0.00 0.28 6.02 0.73 -4.92 117.38 118.14 3gkf n GLN 245 Ca 0.13 -2.24 0.00 0.00 -0.01 0.00 0.00 57.00 54.87 3gkf n GLN 245 Cb 0.64 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.19 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 1.04 0.98 3.76 1.08 0.00 0.55 -4.60 105.19 108.01 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 2.52 -0.97 4.61 0.00 -0.44 -4.85 121.76 120.63 3gkf s ALA 247 Ca 0.00 0.83 0.22 0.00 0.00 0.00 0.00 51.96 53.01 3gkf s ALA 247 Cb 0.00 -3.39 -0.08 0.00 0.00 0.00 0.00 23.12 19.65 3gkf s ALA 247 CO 0.00 -1.16 1.00 0.43 0.00 0.00 0.00 175.76 176.03 3gkf n SER 248 N -1.84 0.87 -3.67 0.00 7.64 0.12 -4.61 113.62 112.14 3gkf n SER 248 Ca 0.12 -0.81 -0.01 0.00 1.01 0.00 0.00 58.87 59.18 3gkf n SER 248 Cb 0.51 0.86 -0.01 0.00 -1.01 0.00 0.00 64.21 64.56 3gkf n SER 248 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gkf s GLY 249 N -3.04 -0.34 0.01 0.23 0.00 -1.12 -1.05 107.32 102.02 3gkf s GLY 249 Ca 0.08 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.36 3gkf s GLY 249 CO 0.83 0.11 -0.08 -1.34 0.00 0.00 0.00 173.10 172.62 3gkf s VAL 250 N -2.81 0.64 -0.26 1.40 -7.23 -0.99 -1.98 120.40 109.17 3gkf s VAL 250 Ca 0.13 -0.58 0.01 0.00 -1.81 0.00 0.00 61.98 59.73 3gkf s VAL 250 Cb 0.02 -0.58 0.05 0.00 0.56 0.00 0.00 36.38 36.42 3gkf s VAL 250 CO -0.02 0.01 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.08 3gkf s ASP 251 N -0.63 4.42 -0.48 4.85 2.15 0.37 -1.84 116.67 125.51 3gkf s ASP 251 Ca -0.00 -1.24 -0.17 0.00 0.43 0.00 0.00 52.55 51.57 3gkf s ASP 251 Cb -0.05 -1.60 0.06 0.00 -0.30 0.00 0.00 42.92 41.03 3gkf s ASP 251 CO 0.00 -0.18 0.51 -0.04 -0.17 0.00 0.00 175.17 175.29 3gkf s MET 252 N 1.18 3.06 0.00 4.34 -1.94 -1.25 0.11 119.30 124.80 3gkf s MET 252 Ca -0.06 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 52.87 3gkf s MET 252 Cb -0.19 -4.09 0.00 0.00 2.01 0.00 0.00 34.83 32.56 3gkf s MET 252 CO -0.05 -1.10 0.00 0.41 -0.01 0.00 0.00 175.02 174.28 3gkf n GLY 253 N 5.18 1.56 0.36 -0.03 0.00 -1.26 -3.95 105.19 107.04 3gkf n GLY 253 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.78 0.00 1.61 -0.00 -1.89 0.47 114.38 115.36 3gkf h ARG 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 3gkf h ARG 254 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 29.97 29.79 3gkf h ARG 254 CO 0.00 0.52 0.00 0.09 0.00 0.00 0.00 179.97 180.58 3gkf n ASN 255 N -4.73 0.00 0.00 7.04 3.02 -1.26 -1.21 115.26 118.12 3gkf n ASN 255 Ca 0.22 0.35 -0.01 0.00 -0.03 0.00 0.00 54.58 55.11 3gkf n ASN 255 Cb 0.53 -0.38 -0.00 0.00 -0.61 0.00 0.00 39.78 39.32 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 -1.38 0.68 0.31 2.41 5.41 0.16 -4.35 119.36 122.60 3gkf n ILE 256 Ca 0.01 0.24 0.18 0.00 1.00 0.00 0.00 62.75 64.18 3gkf n ILE 256 Cb 0.03 -1.50 0.99 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 -0.16 0.00 0.00 1.39 -5.15 -1.41 -1.25 116.94 110.36 3gkf h PHE 257 Ca 0.00 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.71 3gkf h PHE 257 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 3gkf h PHE 257 CO -0.07 0.02 -1.02 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 -1.38 -3.47 115.11 113.46 3gkf h GLN 258 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 3gkf h GLN 258 Cb 0.09 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.03 3gkf h GLN 258 CO 0.00 0.12 0.52 0.45 -0.67 0.00 0.00 178.83 179.26 3gkf n SER 259 N -2.81 2.16 0.26 1.46 2.88 -0.47 -4.87 113.62 112.22 3gkf n SER 259 Ca -0.03 0.85 0.15 0.00 -1.33 0.00 0.00 58.87 58.51 3gkf n SER 259 Cb 0.65 -1.56 0.63 0.00 -0.75 0.00 0.00 64.21 63.18 3gkf n SER 259 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gkf h ASP 260 N 0.68 0.00 -2.18 -3.46 3.32 -1.91 -3.31 116.42 109.56 3gkf h ASP 260 Ca -0.51 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 3gkf h ASP 260 Cb 1.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.48 3gkf h ASP 260 CO 0.54 0.09 -0.81 1.41 -1.72 0.00 0.00 179.24 178.74 3gkf n HIS 261 N -3.24 1.85 0.14 4.55 8.25 -1.26 -4.99 115.22 120.53 3gkf n HIS 261 Ca 0.00 -3.90 -0.14 0.00 -0.26 0.00 0.00 57.72 53.43 3gkf n HIS 261 Cb 0.33 -0.44 -0.07 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 4.26 -0.59 -0.97 -0.41 0.11 -1.78 -2.07 132.00 130.54 3gkf h PRO 262 Ca 0.15 0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.33 3gkf h PRO 262 Cb 0.76 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 31.95 3gkf h PRO 262 CO 0.66 -0.39 0.64 0.28 -0.21 0.00 0.00 178.00 178.98 3gkf h VAL 263 N -0.61 1.20 -0.33 3.15 2.07 -1.94 0.32 116.25 120.11 3gkf h VAL 263 Ca 0.02 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3gkf h VAL 263 Cb 0.62 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3gkf h VAL 263 CO -0.17 0.23 0.18 0.00 0.02 0.00 0.00 177.57 177.83 3gkf h ALA 264 N 1.38 0.41 -0.33 1.67 0.00 -1.80 -2.09 119.26 118.49 3gkf h ALA 264 Ca 0.37 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.34 3gkf h ALA 264 Cb -0.07 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3gkf h ALA 264 CO -0.10 -0.19 0.02 1.98 0.00 0.00 0.00 179.25 180.95 3gkf h MET 265 N 0.36 0.12 -0.67 0.00 -1.53 -0.27 -1.18 114.93 111.76 3gkf h MET 265 Ca 0.14 -0.01 0.04 0.00 -3.44 0.00 0.00 59.70 56.43 3gkf h MET 265 Cb 0.03 -0.03 -0.05 0.00 -0.55 0.00 0.00 31.60 31.01 3gkf h MET 265 CO -0.08 0.08 0.41 0.52 0.14 0.00 0.00 176.91 177.97 3gkf h MET 266 N 0.12 0.76 -0.42 0.39 2.86 -0.69 0.23 114.93 118.19 3gkf h MET 266 Ca 0.16 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 3gkf h MET 266 Cb 0.21 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3gkf h MET 266 CO -0.25 0.50 0.12 0.87 1.06 0.00 0.00 176.91 179.21 3gkf h LYS 267 N 0.78 0.61 0.19 1.72 1.57 -0.83 0.77 116.57 121.38 3gkf h LYS 267 Ca 0.28 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 3gkf h LYS 267 Cb 0.07 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3gkf h LYS 267 CO -0.13 0.54 -0.21 0.00 -0.57 0.00 0.00 179.45 179.08 3gkf h ALA 268 N 1.54 -0.42 -0.61 3.86 0.00 0.49 -1.44 119.26 122.69 3gkf h ALA 268 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gkf h ALA 268 Cb 0.19 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3gkf h ALA 268 CO -0.01 -0.76 0.29 0.28 0.00 0.00 0.00 179.25 179.04 3gkf h VAL 269 N -0.45 1.22 -0.63 0.00 2.07 0.86 -1.74 116.25 117.59 3gkf h VAL 269 Ca 0.01 -0.62 0.11 0.00 0.82 0.00 0.00 66.70 67.02 3gkf h VAL 269 Cb 0.43 0.50 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 3gkf h VAL 269 CO -0.07 0.25 0.20 1.56 0.02 0.00 0.00 177.57 179.53 3gkf h GLN 270 N 0.84 0.34 0.06 1.57 4.20 0.66 0.03 115.11 122.81 3gkf h GLN 270 Ca 0.21 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.90 3gkf h GLN 270 Cb 0.13 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3gkf h GLN 270 CO -0.03 0.22 -0.03 0.00 -0.67 0.00 0.00 178.83 178.33 3gkf h ALA 271 N 1.46 -0.08 -0.33 3.87 0.00 -0.42 0.62 119.26 124.38 3gkf h ALA 271 Ca 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 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 -0.36 -0.53 0.20 0.28 0.00 0.00 0.00 179.25 178.83 3gkf h VAL 272 N -0.10 1.11 0.34 0.00 2.07 -0.70 0.11 116.25 119.07 3gkf h VAL 272 Ca -0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3gkf h VAL 272 Cb 0.08 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3gkf h VAL 272 CO 0.01 0.11 -0.16 0.58 0.02 0.00 0.00 177.57 178.14 3gkf h VAL 273 N 0.42 0.00 0.23 2.57 2.07 -0.73 -3.04 116.25 117.77 3gkf h VAL 273 Ca 0.12 -0.43 -0.32 0.00 0.82 0.00 0.00 66.70 66.89 3gkf h VAL 273 Cb 0.01 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 29.82 3gkf h VAL 273 CO -0.02 0.00 -1.38 0.45 0.02 0.00 0.00 177.57 176.63 3gkf h HIS 274 N -0.88 0.95 -0.01 1.57 -0.00 -0.98 -3.38 115.15 112.42 3gkf h HIS 274 Ca -0.05 -0.68 0.00 0.00 -0.00 0.00 0.00 60.37 59.64 3gkf h HIS 274 Cb 0.35 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 3gkf h HIS 274 CO 0.02 1.53 -0.63 0.72 -0.00 0.00 0.00 177.93 179.58 3gkf n HIS 275 N -3.78 0.00 -0.92 2.45 8.25 -0.43 -4.98 115.22 115.82 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 1.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.17 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 -0.61 -0.83 -4.54 0.41 3.02 0.24 -4.96 115.26 108.00 3gkf n ASN 276 Ca 0.07 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.23 3gkf n ASN 276 Cb 0.38 -0.14 0.03 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 -2.28 0.80 -1.85 3.52 -0.58 -1.04 -4.93 120.64 114.28 3gkf n GLU 277 Ca 0.00 0.30 -0.31 0.00 -0.42 0.00 0.00 57.16 56.73 3gkf n GLU 277 Cb 0.00 -1.89 0.02 0.00 -0.57 0.00 0.00 31.44 29.00 3gkf n GLU 277 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gkf s THR 278 N -1.54 4.30 0.22 2.62 -4.23 -1.26 -4.46 115.64 111.28 3gkf s THR 278 Ca 0.69 0.84 -0.09 0.00 -1.18 0.00 0.00 61.69 61.95 3gkf s THR 278 Cb -0.47 -3.60 0.22 0.00 1.34 0.00 0.00 72.50 69.98 3gkf s THR 278 CO 0.53 -0.88 1.66 0.00 -0.54 0.00 0.00 174.62 175.39 3gkf h ALA 279 N -0.19 0.69 0.26 3.99 0.00 -1.91 -1.36 119.26 120.73 3gkf h ALA 279 Ca -0.45 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3gkf h ALA 279 Cb 1.20 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3gkf h ALA 279 CO 0.59 -0.39 -0.12 -0.44 0.00 0.00 0.00 179.25 178.89 3gkf h ASP 280 N 0.14 -0.29 -0.41 0.00 5.19 -1.97 0.10 116.42 119.18 3gkf h ASP 280 Ca 0.35 -0.06 0.07 0.00 -0.62 0.00 0.00 57.03 56.77 3gkf h ASP 280 Cb 0.58 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.10 3gkf h ASP 280 CO -0.54 -0.12 0.01 0.03 -3.12 0.00 0.00 179.24 175.49 3gkf h ARG 281 N -0.45 0.12 -0.11 3.56 3.08 -1.88 -0.23 114.38 118.46 3gkf h ARG 281 Ca -0.04 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 281 Cb 0.34 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 3gkf h ARG 281 CO 0.06 0.08 -0.50 0.00 -1.07 0.00 0.00 179.97 178.53 3gkf h ALA 282 N 1.35 -0.80 -0.80 0.04 0.00 -0.72 0.42 119.26 118.75 3gkf h ALA 282 Ca 0.20 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.22 3gkf h ALA 282 Cb 0.28 0.92 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 3gkf h ALA 282 CO -0.33 -1.04 0.36 -0.92 0.00 0.00 0.00 179.25 177.32 3gkf h TYR 283 N -0.57 0.61 -0.18 0.00 3.20 -0.15 0.29 116.97 120.16 3gkf h TYR 283 Ca 0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3gkf h TYR 283 Cb 0.67 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 3gkf h TYR 283 CO -0.54 0.08 0.11 0.93 -1.64 0.00 0.00 178.16 177.11 3gkf h GLU 284 N 0.49 0.23 0.00 1.82 5.08 0.81 0.49 114.58 123.51 3gkf h GLU 284 Ca 0.45 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3gkf h GLU 284 Cb 0.70 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3gkf h GLU 284 CO -0.41 0.15 0.00 1.37 -1.00 0.00 0.00 179.01 179.12 3gkf h LEU 285 N 0.24 0.00 0.38 1.33 -0.00 -0.50 0.60 115.31 117.35 3gkf h LEU 285 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3gkf h LEU 285 Cb -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 3gkf h LEU 285 CO -0.02 0.00 -0.38 0.22 -0.00 0.00 0.00 178.44 178.26 3gkf h TYR 286 N 0.00 -1.03 -0.65 0.17 3.20 0.20 0.12 116.97 118.98 3gkf h TYR 286 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3gkf h TYR 286 Cb 0.33 0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 3gkf h TYR 286 CO 0.00 -0.53 0.14 -0.07 -1.64 0.00 0.00 178.16 176.06 3gkf h LEU 287 N -0.78 1.01 -0.57 2.82 3.38 -0.17 -2.65 115.31 118.33 3gkf h LEU 287 Ca -0.03 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.81 3gkf h LEU 287 Cb 0.70 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.07 3gkf h LEU 287 CO -0.06 0.99 -0.17 -1.28 0.09 0.00 0.00 178.44 178.01 3gkf h SER 288 N 0.98 -0.61 0.93 -0.43 0.87 0.43 -2.58 113.55 113.13 3gkf h SER 288 Ca 0.20 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3gkf h SER 288 Cb 0.39 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 3gkf h SER 288 CO 0.01 -0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 175.48 3gkf n GLU 289 N -5.41 0.09 0.00 2.24 -0.58 0.38 -5.06 120.64 112.31 3gkf n GLU 289 Ca 0.06 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 3gkf n GLU 289 Cb 0.31 -1.63 0.02 0.00 -0.57 0.00 0.00 31.44 29.57 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28