#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 2.69 -0.26 1.61 1.02 -1.26 -5.11 119.74 118.42 3gkf s LYS 11 Ca 0.00 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.37 3gkf s LYS 11 Cb 0.00 -2.58 0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3gkf s LYS 11 CO 0.00 0.63 -0.08 0.34 -0.92 0.00 0.00 175.35 175.33 3gkf s ASP 12 N -1.23 4.47 0.00 2.83 2.15 -1.26 -4.96 116.67 118.67 3gkf s ASP 12 Ca 0.16 -1.23 0.25 0.00 0.43 0.00 0.00 52.55 52.16 3gkf s ASP 12 Cb -0.11 -1.61 0.74 0.00 -0.30 0.00 0.00 42.92 41.64 3gkf s ASP 12 CO 0.06 -0.19 1.57 0.49 -0.17 0.00 0.00 175.17 176.93 3gkf n PHE 13 N 4.54 0.09 -3.81 -5.34 3.72 -1.26 -4.96 117.46 110.44 3gkf n PHE 13 Ca -0.15 -0.04 -0.32 0.00 -0.05 0.00 0.00 57.45 56.89 3gkf n PHE 13 Cb 0.44 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.00 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.58 -1.71 0.27 -1.08 3.00 -1.26 -4.81 116.66 111.65 3gkf n ARG 14 Ca 0.17 0.40 0.14 0.00 -0.00 0.00 0.00 57.85 58.56 3gkf n ARG 14 Cb 0.43 -4.05 0.74 0.00 0.00 0.00 0.00 32.46 29.57 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 -1.97 0.43 0.00 5.15 1.35 -2.02 -1.84 112.91 114.00 3gkf h THR 15 Ca -0.66 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 3gkf h THR 15 Cb 1.37 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3gkf h THR 15 CO 0.53 0.10 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 3gkf n ASP 16 N -3.47 0.49 -4.03 5.36 5.75 -1.26 -4.54 116.55 114.85 3gkf n ASP 16 Ca -0.01 0.59 -0.31 0.00 -0.01 0.00 0.00 54.79 55.04 3gkf n ASP 16 Cb 0.26 -0.70 -0.15 0.00 -1.03 0.00 0.00 41.12 39.49 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 -3.16 2.14 0.03 0.11 0.74 -0.69 -5.11 119.66 113.72 3gkf s GLN 17 Ca 0.08 -1.08 -0.19 0.00 0.05 0.00 0.00 55.36 54.22 3gkf s GLN 17 Cb 0.11 -2.66 -0.06 0.00 1.10 0.00 0.00 33.01 31.51 3gkf s GLN 17 CO 0.44 -0.50 0.55 -1.25 -0.55 0.00 0.00 175.29 173.98 3gkf s PRO 18 N 1.26 4.20 0.31 1.67 0.04 -1.26 -4.92 135.00 136.31 3gkf s PRO 18 Ca -0.05 0.67 -0.30 0.00 0.04 0.00 0.00 61.00 61.37 3gkf s PRO 18 Cb -0.18 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.97 3gkf s PRO 18 CO -0.07 0.54 1.55 0.94 0.04 0.00 0.00 177.00 180.00 3gkf n GLN 19 N 2.13 2.62 -4.34 4.56 7.27 -1.26 -5.00 117.38 123.36 3gkf n GLN 19 Ca -0.10 0.93 -0.19 0.00 0.07 0.00 0.00 57.00 57.71 3gkf n GLN 19 Cb 0.51 -2.68 -0.14 0.00 2.41 0.00 0.00 30.24 30.34 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 -0.90 0.82 -0.14 3.69 2.20 -1.26 -5.13 119.74 119.02 3gkf s LYS 20 Ca 0.62 -0.58 -0.25 0.00 -0.36 0.00 0.00 55.97 55.40 3gkf s LYS 20 Cb -0.51 -0.78 -0.02 0.00 -1.51 0.00 0.00 37.83 35.01 3gkf s LYS 20 CO 0.53 0.20 0.80 -0.80 -0.36 0.00 0.00 175.35 175.71 3gkf s ASN 21 N -0.80 6.97 -0.10 1.43 0.01 -1.26 -5.02 114.94 116.17 3gkf s ASN 21 Ca 0.01 1.19 -0.30 0.00 -0.71 0.00 0.00 52.86 53.06 3gkf s ASN 21 Cb -0.06 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.12 3gkf s ASN 21 CO 0.00 -0.32 1.34 -0.63 -1.51 0.00 0.00 177.10 175.98 3gkf s ILE 22 N 1.75 4.07 0.56 0.60 1.09 -1.26 -5.00 121.20 123.01 3gkf s ILE 22 Ca 0.38 1.34 -0.21 0.00 -1.10 0.00 0.00 60.65 61.07 3gkf s ILE 22 Cb -0.17 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 3gkf s ILE 22 CO 0.15 -0.08 1.29 -2.84 -0.10 0.00 0.00 174.94 173.36 3gkf s PRO 23 N 3.15 3.08 -0.33 2.79 0.02 -1.26 -5.02 135.00 137.43 3gkf s PRO 23 Ca 0.59 2.06 -0.09 0.00 0.02 0.00 0.00 61.00 63.59 3gkf s PRO 23 Cb -0.26 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.14 3gkf s PRO 23 CO 0.20 -1.18 0.14 0.12 -0.33 0.00 0.00 177.00 175.96 3gkf s PHE 24 N -1.41 3.20 -0.64 6.54 5.36 -1.26 -5.00 117.98 124.77 3gkf s PHE 24 Ca 0.74 -0.92 0.23 0.00 -0.96 0.00 0.00 56.93 56.02 3gkf s PHE 24 Cb -0.36 -2.34 0.00 0.00 -0.34 0.00 0.00 43.02 39.98 3gkf s PHE 24 CO 0.42 -0.58 0.98 0.25 -1.46 0.00 0.00 175.22 174.83 3gkf n THR 25 N 4.93 0.12 -1.58 0.12 -2.24 -1.26 -4.55 114.28 109.82 3gkf n THR 25 Ca -0.13 -0.22 -0.52 0.00 -2.27 0.00 0.00 64.05 60.91 3gkf n THR 25 Cb 0.47 0.31 -0.06 0.00 -2.10 0.00 0.00 70.33 68.95 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 -1.90 1.56 -4.66 3.22 7.94 -1.26 -4.74 117.00 117.17 3gkf n LEU 26 Ca 0.02 1.12 -0.42 0.00 -1.11 0.00 0.00 56.01 55.62 3gkf n LEU 26 Cb 0.43 -1.18 -0.03 0.00 0.53 0.00 0.00 43.42 43.16 3gkf n LEU 26 CO 0.41 -1.12 1.59 -0.75 -1.11 0.00 0.00 177.39 176.41 3gkf s LYS 27 N 0.35 4.07 0.00 1.96 2.20 -1.26 -2.04 119.74 125.03 3gkf s LYS 27 Ca 0.83 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.96 3gkf s LYS 27 Cb -0.95 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 31.21 3gkf s LYS 27 CO 0.48 -1.03 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 3gkf n GLY 28 N 4.58 0.55 0.92 5.54 0.00 -1.23 -3.61 105.19 111.94 3gkf n GLY 28 Ca 0.20 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.08 -1.52 1.66 0.00 0.00 -1.26 -3.89 105.19 99.10 3gkf n GLY 30 Ca 0.27 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.54 4.68 -2.64 4.61 0.00 -1.26 -4.94 120.51 119.42 3gkf n ALA 31 Ca 0.07 -3.67 -0.27 0.00 0.00 0.00 0.00 53.44 49.57 3gkf n ALA 31 Cb 0.35 -0.33 -0.08 0.00 0.00 0.00 0.00 19.45 19.39 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 -3.51 3.25 0.88 0.00 1.43 -1.25 -5.11 118.68 114.37 3gkf s LEU 32 Ca 0.48 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 53.08 3gkf s LEU 32 Cb 0.40 -1.94 0.12 0.00 0.03 0.00 0.00 46.19 44.80 3gkf s LEU 32 CO 0.01 0.11 1.14 -0.62 0.23 0.00 0.00 176.35 177.22 3gkf s ASP 33 N -2.76 3.32 0.18 2.29 2.15 -1.26 -4.68 116.67 115.90 3gkf s ASP 33 Ca 0.26 2.12 -0.14 0.00 0.43 0.00 0.00 52.55 55.21 3gkf s ASP 33 Cb -0.10 -2.56 0.15 0.00 -0.30 0.00 0.00 42.92 40.11 3gkf s ASP 33 CO 0.17 -2.84 1.72 -0.25 -0.17 0.00 0.00 175.17 173.80 3gkf h TRP 34 N -1.65 0.12 -0.46 -5.34 7.01 -1.99 -0.46 115.95 113.17 3gkf h TRP 34 Ca -0.43 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.60 3gkf h TRP 34 Cb 1.26 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 28.31 3gkf h TRP 34 CO 0.52 -0.01 0.30 0.78 -2.79 0.00 0.00 178.44 177.24 3gkf h GLY 35 N 0.20 0.65 1.02 2.65 0.00 -1.92 0.40 103.07 106.07 3gkf h GLY 35 Ca 0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3gkf h GLY 35 CO -0.30 0.24 0.06 1.98 0.00 0.00 0.00 176.54 178.52 3gkf h MET 36 N 0.62 0.93 -0.21 4.80 1.85 -1.51 -1.17 114.93 120.24 3gkf h MET 36 Ca 0.17 -0.27 -0.05 0.00 -0.61 0.00 0.00 59.70 58.95 3gkf h MET 36 Cb -0.07 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 31.84 3gkf h MET 36 CO -0.04 0.91 -0.08 1.96 -0.40 0.00 0.00 176.91 179.27 3gkf h GLN 37 N 0.82 0.33 -0.31 0.39 4.20 -0.52 -2.07 115.11 117.95 3gkf h GLN 37 Ca 0.16 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 3gkf h GLN 37 Cb 0.45 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3gkf h GLN 37 CO 0.02 0.42 0.06 1.03 -0.67 0.00 0.00 178.83 179.68 3gkf h SER 38 N 0.31 0.49 -0.62 1.46 0.87 0.46 -0.36 113.55 116.16 3gkf h SER 38 Ca 0.07 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 3gkf h SER 38 Cb 0.34 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 3gkf h SER 38 CO 0.02 0.62 0.15 0.03 -0.53 0.00 0.00 176.83 177.11 3gkf h ARG 39 N 0.34 1.00 -0.62 2.24 3.08 -0.82 -1.86 114.38 117.74 3gkf h ARG 39 Ca 0.10 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 3gkf h ARG 39 Cb 0.33 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3gkf h ARG 39 CO 0.00 0.91 0.22 -0.07 -1.07 0.00 0.00 179.97 179.96 3gkf h LEU 40 N 0.91 0.85 -1.63 3.04 3.38 -1.30 -2.25 115.31 118.32 3gkf h LEU 40 Ca 0.19 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3gkf h LEU 40 Cb 0.36 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gkf h LEU 40 CO 0.00 0.79 -0.21 0.28 0.09 0.00 0.00 178.44 179.39 3gkf h SER 41 N 0.91 0.00 -0.45 -0.43 0.02 -0.45 0.12 113.55 113.27 3gkf h SER 41 Ca 0.21 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.07 3gkf h SER 41 Cb 0.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3gkf h SER 41 CO -0.01 0.21 -0.05 0.03 -1.14 0.00 0.00 176.83 175.86 3gkf h ARG 42 N 0.00 0.89 0.00 3.45 3.08 -0.75 -3.35 114.38 117.70 3gkf h ARG 42 Ca -0.00 -0.28 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 3gkf h ARG 42 Cb 0.41 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 3gkf h ARG 42 CO 0.03 0.92 -0.02 0.82 -1.07 0.00 0.00 179.97 180.64 3gkf h ILE 43 N 0.81 1.16 -3.86 2.04 2.04 -1.07 -3.44 117.51 115.19 3gkf h ILE 43 Ca 0.14 -1.88 -0.64 0.00 1.00 0.00 0.00 64.86 63.49 3gkf h ILE 43 Cb 0.55 2.20 -0.16 0.00 -0.74 0.00 0.00 36.82 38.67 3gkf h ILE 43 CO 0.03 0.39 -0.46 -0.36 0.00 0.00 0.00 178.15 177.76 3gkf s PHE 44 N -1.99 3.23 0.11 1.37 0.08 0.32 -4.50 117.98 116.59 3gkf s PHE 44 Ca -0.13 0.18 -0.32 0.00 0.12 0.00 0.00 56.93 56.78 3gkf s PHE 44 Cb -0.02 -2.42 -0.12 0.00 -0.57 0.00 0.00 43.02 39.89 3gkf s PHE 44 CO 0.45 -0.18 1.78 -1.71 -0.10 0.00 0.00 175.22 175.46 3gkf n ASN 45 N 5.12 3.74 -0.30 1.36 2.85 -0.07 -4.48 115.26 123.48 3gkf n ASN 45 Ca -0.13 1.01 -0.05 0.00 -0.11 0.00 0.00 54.58 55.30 3gkf n ASN 45 Cb 0.52 -1.50 0.07 0.00 1.24 0.00 0.00 39.78 40.11 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 7.92 1.21 0.40 1.20 0.11 -1.90 3.37 132.00 144.31 3gkf h PRO 46 Ca -0.46 -0.19 -0.02 0.00 0.11 0.00 0.00 66.00 65.44 3gkf h PRO 46 Cb 1.23 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3gkf h PRO 46 CO 0.94 0.95 -0.22 0.87 -0.21 0.00 0.00 178.00 180.33 3gkf h LYS 47 N 1.19 -0.55 0.00 1.05 1.79 -1.98 -3.32 116.57 114.74 3gkf h LYS 47 Ca 0.28 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 3gkf h LYS 47 Cb 0.16 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 3gkf h LYS 47 CO -0.03 -0.37 -1.40 0.25 -1.08 0.00 0.00 179.45 176.82 3gkf n THR 48 N -5.35 0.07 -1.94 -0.16 -2.24 -1.06 -4.98 114.28 98.62 3gkf n THR 48 Ca -0.11 -0.29 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 3gkf n THR 48 Cb 0.26 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 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 1.36 0.34 3.15 3.38 0.00 1.12 -4.98 105.19 109.56 3gkf n GLY 49 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.08 0.90 0.01 1.61 1.02 -1.20 -4.78 119.74 113.21 3gkf s LYS 50 Ca 0.00 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 54.56 3gkf s LYS 50 Cb 0.00 0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 37.51 3gkf s LYS 50 CO 0.00 -0.24 0.01 -0.08 -0.92 0.00 0.00 175.35 174.12 3gkf s THR 51 N -4.01 0.08 -0.28 2.17 -1.32 -0.28 -0.89 115.64 111.10 3gkf s THR 51 Ca 0.22 -0.62 -0.06 0.00 -1.21 0.00 0.00 61.69 60.02 3gkf s THR 51 Cb 0.07 -0.22 0.01 0.00 -1.51 0.00 0.00 72.50 70.85 3gkf s THR 51 CO 0.01 -0.34 0.06 -0.69 -2.21 0.00 0.00 174.62 171.44 3gkf s VAL 52 N -1.03 3.82 -0.16 5.08 1.01 -1.26 -2.49 120.40 125.37 3gkf s VAL 52 Ca -0.11 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 3gkf s VAL 52 Cb -0.07 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 3gkf s VAL 52 CO -0.00 0.12 0.00 -0.32 0.00 0.00 0.00 175.10 174.89 3gkf s MET 53 N 1.48 3.74 -0.54 2.72 0.00 -0.55 -0.87 119.30 125.28 3gkf s MET 53 Ca 0.02 -0.45 -0.12 0.00 0.00 0.00 0.00 55.69 55.14 3gkf s MET 53 Cb -0.17 -3.01 0.14 0.00 0.00 0.00 0.00 34.83 31.78 3gkf s MET 53 CO 0.01 0.28 0.46 -1.17 0.00 0.00 0.00 175.02 174.60 3gkf s LEU 54 N 0.28 6.00 -0.24 4.11 2.96 0.13 -3.92 118.68 127.99 3gkf s LEU 54 Ca -0.01 -1.97 -0.13 0.00 -0.22 0.00 0.00 54.13 51.80 3gkf s LEU 54 Cb -0.13 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 3gkf s LEU 54 CO 0.02 -0.74 0.28 0.00 -1.32 0.00 0.00 176.35 174.59 3gkf s ALA 55 N 1.30 3.57 -0.42 5.97 0.00 -1.26 -1.60 121.76 129.32 3gkf s ALA 55 Ca 0.06 -0.80 0.10 0.00 0.00 0.00 0.00 51.96 51.32 3gkf s ALA 55 Cb -0.26 -2.52 0.40 0.00 0.00 0.00 0.00 23.12 20.74 3gkf s ALA 55 CO -0.00 -0.38 0.96 1.97 0.00 0.00 0.00 175.76 178.31 3gkf n PHE 56 N 4.69 2.31 1.01 0.00 1.16 0.12 -4.70 117.46 122.04 3gkf n PHE 56 Ca -0.11 -3.33 0.12 0.00 -1.87 0.00 0.00 57.45 52.26 3gkf n PHE 56 Cb 0.51 -0.31 0.09 0.00 -1.61 0.00 0.00 39.48 38.17 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 -0.17 2.87 0.31 5.98 5.75 -1.23 -4.55 116.55 125.51 3gkf n ASP 57 Ca 0.26 -1.94 0.18 0.00 -0.01 0.00 0.00 54.79 53.29 3gkf n ASP 57 Cb 0.65 0.06 1.01 0.00 -1.03 0.00 0.00 41.12 41.81 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 4.42 0.00 -0.01 2.11 -0.00 -1.92 0.38 115.15 120.12 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 0.97 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.38 3gkf h HIS 58 CO 0.00 0.02 0.23 0.78 -0.00 0.00 0.00 177.93 178.95 3gkf h GLY 59 N 0.28 0.00 1.51 2.45 0.00 -1.80 -1.62 103.07 103.89 3gkf h GLY 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gkf h GLY 59 CO 0.00 0.00 0.32 0.10 0.00 0.00 0.00 176.54 176.96 3gkf h TYR 60 N 0.00 0.62 0.00 5.60 -0.00 -1.20 -1.43 116.97 120.56 3gkf h TYR 60 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.75 3gkf h TYR 60 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 36.73 36.98 3gkf h TYR 60 CO 0.00 0.40 0.00 1.97 -0.00 0.00 0.00 178.16 180.53 3gkf n PHE 61 N -4.46 0.00 0.31 0.10 1.16 -1.12 -4.70 117.46 108.75 3gkf n PHE 61 Ca 0.04 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.66 3gkf n PHE 61 Cb 0.06 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.87 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 -0.35 3.26 0.00 3.97 6.02 -0.62 -1.95 117.38 127.70 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 0.02 -0.98 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 1.39 -0.46 3.23 1.08 0.00 -0.57 -4.28 105.19 105.58 3gkf n GLY 63 Ca 0.01 -1.09 -0.39 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 2.26 -0.91 1.61 -0.02 -1.26 -3.96 135.00 132.72 3gkf n PRO 64 Ca 0.00 -2.51 -0.33 0.00 -2.02 0.00 0.00 63.50 58.64 3gkf n PRO 64 Cb 0.00 -3.33 0.14 0.00 -0.02 0.00 0.00 33.50 30.29 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 6.28 1.02 -1.79 3.45 -1.04 -1.26 -4.66 114.28 116.28 3gkf n THR 65 Ca 0.49 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.05 61.95 3gkf n THR 65 Cb 0.43 -1.05 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 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 -2.35 2.54 0.00 12.58 2.01 -1.26 -1.28 115.64 127.88 3gkf s THR 66 Ca 0.69 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.87 3gkf s THR 66 Cb -0.26 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.13 3gkf s THR 66 CO 0.56 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.10 3gkf n GLY 67 N 4.07 2.63 0.84 4.40 0.00 -1.26 -4.79 105.19 111.08 3gkf n GLY 67 Ca 0.16 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3gkf n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gkf n LEU 68 N 0.00 3.53 0.03 0.99 4.77 -0.41 -4.62 117.00 121.29 3gkf n LEU 68 Ca 0.00 -2.49 -0.10 0.00 -0.03 0.00 0.00 56.01 53.39 3gkf n LEU 68 Cb 0.00 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.65 3gkf n LEU 68 CO 0.00 0.71 0.77 -0.33 -1.33 0.00 0.00 177.39 177.21 3gkf h GLU 69 N 2.13 -0.19 -3.14 3.23 3.07 -1.80 -3.34 114.58 114.54 3gkf h GLU 69 Ca 0.00 0.01 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 1.11 0.04 -0.40 0.00 -0.84 0.00 0.00 28.75 28.66 3gkf h GLU 69 CO 0.12 -0.13 -0.69 1.03 -1.40 0.00 0.00 179.01 177.94 3gkf s ARG 70 N -6.15 1.58 0.27 2.33 1.81 -1.26 -4.94 118.95 112.59 3gkf s ARG 70 Ca -0.14 -2.27 -0.01 0.00 -1.72 0.00 0.00 55.73 51.59 3gkf s ARG 70 Cb 0.09 -2.73 0.49 0.00 -0.45 0.00 0.00 34.95 32.35 3gkf s ARG 70 CO 0.67 -1.15 1.84 0.82 -0.68 0.00 0.00 175.30 176.81 3gkf h ILE 71 N 5.32 0.97 0.00 1.52 1.08 -1.89 -0.91 117.51 123.60 3gkf h ILE 71 Ca -0.03 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.07 3gkf h ILE 71 Cb 0.91 -0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.51 3gkf h ILE 71 CO 0.57 0.19 -0.07 -2.24 -0.69 0.00 0.00 178.15 175.90 3gkf h ASP 72 N 1.02 0.00 0.00 1.72 2.03 -1.92 -1.14 116.42 118.13 3gkf h ASP 72 Ca 0.47 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.58 3gkf h ASP 72 Cb 0.38 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.86 3gkf h ASP 72 CO -0.24 0.07 -1.47 -0.38 -1.03 0.00 0.00 179.24 176.20 3gkf n ILE 73 N -3.72 1.19 0.07 4.15 5.41 -0.90 -4.24 119.36 121.33 3gkf n ILE 73 Ca -0.02 -0.05 -0.13 0.00 1.00 0.00 0.00 62.75 63.54 3gkf n ILE 73 Cb 0.18 -1.90 -0.08 0.00 -0.71 0.00 0.00 39.64 37.13 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 -0.67 -0.11 0.45 4.38 -1.24 -1.24 -3.36 115.58 113.79 3gkf h ASN 74 Ca -0.28 -0.12 -0.17 0.00 0.71 0.00 0.00 56.30 56.44 3gkf h ASN 74 Cb 1.10 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 40.15 3gkf h ASN 74 CO -0.17 0.06 -1.69 -0.38 -1.29 0.00 0.00 177.43 173.96 3gkf n ILE 75 N -5.08 1.00 -0.22 2.57 2.08 -0.53 -4.37 119.36 114.81 3gkf n ILE 75 Ca -0.08 -0.69 0.03 0.00 0.56 0.00 0.00 62.75 62.57 3gkf n ILE 75 Cb 0.13 -0.54 0.14 0.00 -0.75 0.00 0.00 39.64 38.63 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 1.46 0.85 -0.03 -1.39 0.00 -1.44 0.24 119.26 118.94 3gkf h ALA 76 Ca -0.21 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 76 Cb 1.59 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3gkf h ALA 76 CO 0.03 -0.29 0.04 -1.00 0.00 0.00 0.00 179.25 178.03 3gkf h PRO 77 N 0.31 0.00 0.00 0.00 0.13 -1.76 -3.12 132.00 127.55 3gkf h PRO 77 Ca 0.36 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.48 3gkf h PRO 77 Cb 0.56 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 3gkf h PRO 77 CO -0.43 0.00 -0.08 -0.07 -0.23 0.00 0.00 178.00 177.19 3gkf h LEU 78 N 0.00 0.00 -0.38 1.56 3.38 -0.75 -3.38 115.31 115.73 3gkf h LEU 78 Ca 0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 3gkf h LEU 78 Cb 0.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3gkf h LEU 78 CO -0.00 0.08 0.16 -0.26 0.09 0.00 0.00 178.44 178.51 3gkf h PHE 79 N 0.00 0.29 -0.04 1.13 0.04 -1.54 -2.24 116.94 114.59 3gkf h PHE 79 Ca -0.00 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.80 3gkf h PHE 79 Cb 0.98 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 39.05 3gkf h PHE 79 CO 0.00 0.14 0.09 1.05 -0.60 0.00 0.00 178.31 178.99 3gkf h GLU 80 N 0.34 0.00 -0.65 1.51 4.11 -1.83 -1.12 114.58 116.94 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 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3gkf h GLU 80 CO -0.15 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.65 3gkf n HIS 81 N -3.35 1.36 -4.30 2.06 8.25 -0.84 -4.89 115.22 113.50 3gkf n HIS 81 Ca -0.02 -0.55 -0.30 0.00 -0.26 0.00 0.00 57.72 56.59 3gkf n HIS 81 Cb 0.17 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.76 2.92 0.04 -1.41 0.00 -0.42 -4.89 121.76 116.23 3gkf s ALA 82 Ca 0.48 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 3gkf s ALA 82 Cb 0.30 -0.90 -0.23 0.00 0.00 0.00 0.00 23.12 22.29 3gkf s ALA 82 CO 0.24 0.63 1.14 -0.44 0.00 0.00 0.00 175.76 177.33 3gkf h ASP 83 N 3.81 0.71 -4.01 0.00 3.32 -1.30 -3.47 116.42 115.47 3gkf h ASP 83 Ca -0.49 -0.74 -0.16 0.00 0.02 0.00 0.00 57.03 55.66 3gkf h ASP 83 Cb 1.17 -0.22 -0.25 0.00 0.22 0.00 0.00 39.33 40.25 3gkf h ASP 83 CO 0.52 1.36 -0.42 0.54 -1.72 0.00 0.00 179.24 179.52 3gkf s VAL 84 N -3.28 0.01 0.05 -1.35 0.11 -1.09 -4.13 120.40 110.73 3gkf s VAL 84 Ca -0.12 -0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 58.84 3gkf s VAL 84 Cb 0.05 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 3gkf s VAL 84 CO 0.87 -0.05 0.21 -0.76 -3.33 0.00 0.00 175.10 172.03 3gkf s LEU 85 N -0.11 4.36 -0.09 2.54 1.43 -0.20 -0.69 118.68 125.91 3gkf s LEU 85 Ca -0.02 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3gkf s LEU 85 Cb -0.03 -2.93 0.03 0.00 0.03 0.00 0.00 46.19 43.30 3gkf s LEU 85 CO 0.01 0.18 -0.01 -0.32 0.23 0.00 0.00 176.35 176.43 3gkf s MET 86 N -2.46 0.79 0.35 1.70 1.75 -0.63 -0.14 119.30 120.65 3gkf s MET 86 Ca 0.34 -0.00 -0.12 0.00 -1.25 0.00 0.00 55.69 54.66 3gkf s MET 86 Cb -0.13 -1.18 0.03 0.00 2.84 0.00 0.00 34.83 36.39 3gkf s MET 86 CO 0.27 -0.32 0.66 0.00 -0.65 0.00 0.00 175.02 174.98 3gkf s THR 88 N -2.86 4.48 0.38 0.00 -4.23 -1.26 -1.55 115.64 110.60 3gkf s THR 88 Ca 0.20 0.82 0.14 0.00 -1.18 0.00 0.00 61.69 61.67 3gkf s THR 88 Cb -0.03 -3.71 0.13 0.00 1.34 0.00 0.00 72.50 70.22 3gkf s THR 88 CO 0.13 -1.04 1.87 0.08 -0.54 0.00 0.00 174.62 175.13 3gkf h ARG 89 N -0.41 0.00 0.26 3.99 0.11 -1.97 -0.64 114.38 115.73 3gkf h ARG 89 Ca -0.44 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.63 3gkf h ARG 89 Cb 1.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.28 3gkf h ARG 89 CO 0.60 0.32 -0.13 0.78 0.10 0.00 0.00 179.97 181.64 3gkf h GLY 90 N 1.02 -0.37 1.00 0.08 0.00 -1.96 -1.50 103.07 101.35 3gkf h GLY 90 Ca -0.00 0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3gkf h GLY 90 CO 0.04 -0.13 0.41 -2.22 0.00 0.00 0.00 176.54 174.64 3gkf h ILE 91 N -0.66 1.18 -0.02 2.60 1.08 -1.92 -2.40 117.51 117.38 3gkf h ILE 91 Ca -0.04 -0.38 0.03 0.00 -0.39 0.00 0.00 64.86 64.08 3gkf h ILE 91 Cb 0.46 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 3gkf h ILE 91 CO 0.06 0.19 -0.16 0.25 -0.69 0.00 0.00 178.15 177.80 3gkf h LEU 92 N 0.89 -0.46 -0.65 1.44 5.85 -1.02 0.54 115.31 121.89 3gkf h LEU 92 Ca 0.24 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3gkf h LEU 92 Cb -0.05 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3gkf h LEU 92 CO -0.05 -0.22 0.17 0.03 -0.34 0.00 0.00 178.44 178.04 3gkf h ARG 93 N -0.25 1.04 -0.01 1.25 3.08 -1.13 -2.65 114.38 115.71 3gkf h ARG 93 Ca 0.06 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.73 3gkf h ARG 93 Cb 0.33 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.25 3gkf h ARG 93 CO -0.17 0.92 -0.53 0.66 -1.07 0.00 0.00 179.97 179.79 3gkf h SER 94 N 0.96 0.47 0.00 7.04 4.64 -1.08 -3.41 113.55 122.17 3gkf h SER 94 Ca 0.21 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3gkf h SER 94 Cb 0.34 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3gkf h SER 94 CO -0.00 1.17 0.00 1.33 -0.87 0.00 0.00 176.83 178.46 3gkf n VAL 95 N -4.28 0.29 -3.68 0.95 0.24 0.15 -4.96 118.33 107.04 3gkf n VAL 95 Ca -0.10 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.34 61.45 3gkf n VAL 95 Cb 0.64 1.06 -0.12 0.00 -1.47 0.00 0.00 33.84 33.95 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 -0.29 4.72 0.08 3.34 1.01 -1.00 -4.69 120.40 123.57 3gkf s VAL 96 Ca 0.00 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3gkf s VAL 96 Cb 0.00 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.07 3gkf s VAL 96 CO 0.00 0.27 1.29 -2.84 0.00 0.00 0.00 175.10 173.82 3gkf s PRO 97 N 1.67 4.38 0.40 2.72 0.02 -1.26 -4.74 135.00 138.18 3gkf s PRO 97 Ca 0.06 1.90 0.17 0.00 0.02 0.00 0.00 61.00 63.15 3gkf s PRO 97 Cb -0.16 -3.32 1.06 0.00 0.02 0.00 0.00 34.50 32.10 3gkf s PRO 97 CO 0.07 -0.35 1.81 -1.35 -0.33 0.00 0.00 177.00 176.85 3gkf h PRO 98 N 6.87 0.42 0.00 5.54 0.11 -1.95 0.25 132.00 143.24 3gkf h PRO 98 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gkf h PRO 98 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gkf h PRO 98 CO 0.84 0.28 0.00 0.00 -0.21 0.00 0.00 178.00 178.91 3gkf n ALA 99 N -2.48 1.95 0.22 -0.75 0.00 -1.26 -2.37 120.51 115.82 3gkf n ALA 99 Ca 0.22 -0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.76 3gkf n ALA 99 Cb 0.77 -1.26 0.85 0.00 0.00 0.00 0.00 19.45 19.80 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 0.33 -6.52 0.00 2.02 -0.88 -3.44 112.91 104.42 3gkf h THR 100 Ca 0.00 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.67 3gkf h THR 100 Cb 0.12 0.79 -0.12 0.00 -1.74 0.00 0.00 68.15 67.19 3gkf h THR 100 CO 0.00 0.00 -0.79 -3.20 0.37 0.00 0.00 175.52 171.90 3gkf n ASN 101 N -3.56 -4.14 -4.25 4.18 5.15 -1.00 -4.88 115.26 106.76 3gkf n ASN 101 Ca 0.02 -0.89 -0.27 0.00 -0.60 0.00 0.00 54.58 52.84 3gkf n ASN 101 Cb 0.36 -3.34 -0.15 0.00 -0.53 0.00 0.00 39.78 36.13 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 -6.78 1.57 0.33 1.20 6.06 -1.26 -5.12 118.95 114.95 3gkf s ARG 102 Ca 0.71 -0.89 -0.29 0.00 -2.50 0.00 0.00 55.73 52.77 3gkf s ARG 102 Cb -0.37 -1.62 -0.11 0.00 0.06 0.00 0.00 34.95 32.91 3gkf s ARG 102 CO 0.88 0.43 1.47 -2.14 -2.50 0.00 0.00 175.30 173.43 3gkf s PRO 103 N -0.92 4.18 0.07 5.12 0.02 -1.26 -4.81 135.00 137.41 3gkf s PRO 103 Ca 0.08 2.46 0.07 0.00 0.02 0.00 0.00 61.00 63.64 3gkf s PRO 103 Cb -0.09 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 3gkf s PRO 103 CO 0.01 -0.47 -0.17 0.14 -0.33 0.00 0.00 177.00 176.18 3gkf s VAL 104 N -0.71 2.90 -0.34 3.83 -7.23 -1.26 -1.04 120.40 116.54 3gkf s VAL 104 Ca 0.55 -1.27 -0.08 0.00 -1.81 0.00 0.00 61.98 59.38 3gkf s VAL 104 Cb -0.45 -2.27 0.03 0.00 0.56 0.00 0.00 36.38 34.26 3gkf s VAL 104 CO 0.55 0.25 0.13 -0.69 -0.31 0.00 0.00 175.10 175.02 3gkf s VAL 105 N -1.02 3.99 0.03 1.32 1.01 0.80 -0.64 120.40 125.89 3gkf s VAL 105 Ca 0.16 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 3gkf s VAL 105 Cb -0.11 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3gkf s VAL 105 CO 0.08 -0.17 1.25 -0.76 0.00 0.00 0.00 175.10 175.50 3gkf s LEU 106 N 1.45 4.34 -0.09 3.92 1.43 -0.38 -3.19 118.68 126.16 3gkf s LEU 106 Ca -0.00 2.02 -0.30 0.00 -1.03 0.00 0.00 54.13 54.82 3gkf s LEU 106 Cb -0.19 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 3gkf s LEU 106 CO 0.04 -0.56 1.37 -0.60 0.23 0.00 0.00 176.35 176.83 3gkf s ARG 107 N 1.54 4.25 -0.10 1.70 6.06 -0.60 0.17 118.95 131.98 3gkf s ARG 107 Ca 0.60 1.85 0.14 0.00 -2.50 0.00 0.00 55.73 55.81 3gkf s ARG 107 Cb -0.30 -3.75 0.22 0.00 0.06 0.00 0.00 34.95 31.19 3gkf s ARG 107 CO 0.27 -0.68 1.10 0.00 -2.50 0.00 0.00 175.30 173.50 3gkf n ALA 108 N 6.28 2.18 -2.46 6.12 0.00 0.43 -4.52 120.51 128.54 3gkf n ALA 108 Ca 0.14 -2.21 -0.23 0.00 0.00 0.00 0.00 53.44 51.14 3gkf n ALA 108 Cb 0.44 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 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 -2.39 3.22 0.00 0.00 1.04 -1.21 0.93 113.70 115.28 3gkf s SER 109 Ca 0.24 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.55 3gkf s SER 109 Cb 0.21 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.08 3gkf s SER 109 CO 0.02 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.68 3gkf n GLY 110 N -0.62 -0.53 2.03 7.32 0.00 -0.56 -4.64 105.19 108.19 3gkf n GLY 110 Ca -0.06 -0.82 -0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.01 -2.57 4.61 0.00 -1.26 0.16 120.51 121.44 3gkf n ALA 111 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.22 3gkf n ALA 111 Cb 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.55 4.76 0.20 0.00 4.22 -1.23 -4.75 114.94 115.58 3gkf s ASN 112 Ca 0.00 -0.69 0.02 0.00 -2.14 0.00 0.00 52.86 50.05 3gkf s ASN 112 Cb 0.00 -0.82 -0.05 0.00 1.28 0.00 0.00 41.25 41.66 3gkf s ASN 112 CO 0.00 -0.22 0.02 -0.44 -2.04 0.00 0.00 177.10 174.42 3gkf s SER 113 N -3.82 1.30 0.00 3.54 0.01 -1.26 -4.42 113.70 109.05 3gkf s SER 113 Ca 0.36 -1.22 0.28 0.00 1.31 0.00 0.00 55.95 56.69 3gkf s SER 113 Cb -0.04 0.11 1.52 0.00 0.21 0.00 0.00 66.02 67.83 3gkf s SER 113 CO 0.23 -0.59 2.00 2.30 0.41 0.00 0.00 173.24 177.59 3gkf n ILE 114 N -0.31 0.06 1.24 1.44 -5.35 -0.82 -2.86 119.36 112.75 3gkf n ILE 114 Ca -0.05 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.57 3gkf n ILE 114 Cb 0.64 -0.55 0.36 0.00 -1.74 0.00 0.00 39.64 38.34 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 -1.19 1.11 0.00 7.28 4.77 -1.26 -4.95 117.00 122.76 3gkf n LEU 115 Ca 0.16 -0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 55.82 3gkf n LEU 115 Cb 0.18 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3gkf n LEU 115 CO 0.20 0.21 -0.00 0.00 -1.33 0.00 0.00 177.39 176.46 3gkf n ALA 116 N -0.57 0.04 -1.76 -1.18 0.00 -1.14 -5.10 120.51 110.80 3gkf n ALA 116 Ca 0.12 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 3gkf n ALA 116 Cb 0.36 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 19.88 3gkf n ALA 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gkf s GLU 117 N -2.09 4.14 0.23 0.00 2.56 -1.26 -4.73 118.70 117.56 3gkf s GLU 117 Ca 0.03 2.56 -0.04 0.00 0.00 0.00 0.00 54.97 57.52 3gkf s GLU 117 Cb 0.00 -3.21 0.23 0.00 2.00 0.00 0.00 34.13 33.15 3gkf s GLU 117 CO 0.02 -0.75 1.69 1.25 -0.56 0.00 0.00 175.26 176.91 3gkf h LEU 118 N 7.22 0.83 0.00 2.70 5.85 -1.96 -3.01 115.31 126.94 3gkf h LEU 118 Ca -0.44 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.04 3gkf h LEU 118 Cb 1.20 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.01 3gkf h LEU 118 CO 0.95 0.94 0.00 -1.54 -0.34 0.00 0.00 178.44 178.45 3gkf n SER 119 N -4.17 0.00 -3.99 1.25 3.41 -1.26 -4.56 113.62 104.30 3gkf n SER 119 Ca 0.02 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.25 3gkf n SER 119 Cb 0.36 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 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 -0.97 4.30 -4.59 4.04 5.15 -1.14 -4.57 115.26 117.49 3gkf n ASN 120 Ca 0.20 -2.89 -0.30 0.00 -0.60 0.00 0.00 54.58 51.00 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 3.18 2.17 0.31 1.20 2.02 -1.26 -3.56 118.70 122.77 3gkf s GLU 121 Ca 0.48 -1.00 0.04 0.00 0.02 0.00 0.00 54.97 54.51 3gkf s GLU 121 Cb 0.10 -2.33 -0.06 0.00 0.10 0.00 0.00 34.13 31.94 3gkf s GLU 121 CO -0.03 0.51 0.03 0.00 0.02 0.00 0.00 175.26 175.79 3gkf s ALA 122 N -1.22 2.34 0.17 5.21 0.00 0.12 -4.73 121.76 123.65 3gkf s ALA 122 Ca 0.22 -2.02 -0.31 0.00 0.00 0.00 0.00 51.96 49.85 3gkf s ALA 122 Cb -0.11 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.48 3gkf s ALA 122 CO 0.14 -0.26 1.41 0.08 0.00 0.00 0.00 175.76 177.13 3gkf s VAL 123 N -3.24 3.05 -2.12 0.00 1.01 -1.26 -1.49 120.40 116.35 3gkf s VAL 123 Ca 0.35 0.80 0.18 0.00 0.00 0.00 0.00 61.98 63.31 3gkf s VAL 123 Cb 0.08 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 33.06 3gkf s VAL 123 CO 0.15 0.09 1.04 0.00 0.00 0.00 0.00 175.10 176.37 3gkf n ALA 124 N 3.36 2.60 -3.50 5.51 0.00 0.26 -4.83 120.51 123.91 3gkf n ALA 124 Ca 0.10 -0.63 -0.12 0.00 0.00 0.00 0.00 53.44 52.79 3gkf n ALA 124 Cb 0.41 -0.60 -0.04 0.00 0.00 0.00 0.00 19.45 19.22 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 -1.60 -0.49 0.41 0.00 0.05 -1.25 -4.93 118.68 110.87 3gkf s LEU 125 Ca 0.20 0.25 -0.22 0.00 0.05 0.00 0.00 54.13 54.41 3gkf s LEU 125 Cb 0.15 2.27 -0.10 0.00 -2.05 0.00 0.00 46.19 46.46 3gkf s LEU 125 CO 0.26 -0.66 0.98 -0.94 -0.55 0.00 0.00 176.35 175.44 3gkf s SER 126 N -1.97 6.89 0.44 1.48 1.04 -1.26 -4.91 113.70 115.41 3gkf s SER 126 Ca -0.01 1.81 0.15 0.00 0.48 0.00 0.00 55.95 58.37 3gkf s SER 126 Cb -0.01 -2.56 1.05 0.00 0.10 0.00 0.00 66.02 64.61 3gkf s SER 126 CO -0.03 -0.39 1.97 -0.03 0.98 0.00 0.00 173.24 175.73 3gkf h MET 127 N 2.18 0.38 -0.71 4.02 4.05 -1.97 -0.47 114.93 122.42 3gkf h MET 127 Ca -0.49 -0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.05 3gkf h MET 127 Cb 1.19 -0.09 -0.13 0.00 -0.80 0.00 0.00 31.60 31.77 3gkf h MET 127 CO 0.62 0.25 -0.21 0.22 0.23 0.00 0.00 176.91 178.02 3gkf h ASP 128 N 0.39 -0.76 0.77 1.39 3.58 -1.97 0.36 116.42 120.17 3gkf h ASP 128 Ca 0.29 0.22 -0.20 0.00 0.42 0.00 0.00 57.03 57.76 3gkf h ASP 128 Cb 0.62 0.47 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 3gkf h ASP 128 CO -0.08 -0.25 -0.94 -0.78 -2.88 0.00 0.00 179.24 174.31 3gkf h ASP 129 N -0.03 0.13 -0.97 2.28 3.58 -1.49 -1.08 116.42 118.85 3gkf h ASP 129 Ca 0.33 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.66 3gkf h ASP 129 Cb 0.53 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.49 3gkf h ASP 129 CO -0.74 1.00 0.63 0.00 -2.88 0.00 0.00 179.24 177.25 3gkf h ALA 130 N 0.99 1.23 -0.24 -0.78 0.00 -0.30 0.68 119.26 120.83 3gkf h ALA 130 Ca -0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 3gkf h ALA 130 Cb 1.62 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3gkf h ALA 130 CO 0.13 0.63 -0.57 0.28 0.00 0.00 0.00 179.25 179.73 3gkf h VAL 131 N 1.31 1.29 0.00 0.00 2.07 -0.29 -2.09 116.25 118.55 3gkf h VAL 131 Ca 0.35 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 3gkf h VAL 131 Cb -0.14 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3gkf h VAL 131 CO -0.07 0.57 -0.13 -0.09 0.02 0.00 0.00 177.57 177.87 3gkf h ARG 132 N 0.57 0.00 -0.52 1.57 2.43 -0.35 -1.85 114.38 116.24 3gkf h ARG 132 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3gkf h ARG 132 Cb 1.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3gkf h ARG 132 CO 0.12 0.13 0.00 1.28 -1.51 0.00 0.00 179.97 179.99 3gkf n LEU 133 N -4.24 2.76 -3.70 3.80 4.77 0.15 -4.95 117.00 115.59 3gkf n LEU 133 Ca -0.03 -1.38 -0.24 0.00 -0.03 0.00 0.00 56.01 54.34 3gkf n LEU 133 Cb 0.20 -0.35 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 3gkf n LEU 133 CO 0.34 0.69 0.07 -3.20 -1.33 0.00 0.00 177.39 173.96 3gkf n ASN 134 N 1.00 -3.29 -4.81 -1.43 5.15 -0.70 -4.95 115.26 106.23 3gkf n ASN 134 Ca 0.17 -0.72 -0.32 0.00 -0.60 0.00 0.00 54.58 53.11 3gkf n ASN 134 Cb 0.44 -4.36 0.03 0.00 -0.53 0.00 0.00 39.78 35.35 3gkf n ASN 134 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3gkf s SER 135 N -3.87 5.57 0.15 1.20 0.01 -0.82 -4.74 113.70 111.20 3gkf s SER 135 Ca 0.30 1.72 0.20 0.00 1.31 0.00 0.00 55.95 59.48 3gkf s SER 135 Cb -0.14 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.52 3gkf s SER 135 CO 0.79 -1.31 0.95 0.00 0.41 0.00 0.00 173.24 174.08 3gkf s ALA 137 N -3.20 -1.88 0.03 0.00 0.00 -1.22 -4.11 121.76 111.39 3gkf s ALA 137 Ca -0.01 0.94 0.09 0.00 0.00 0.00 0.00 51.96 52.98 3gkf s ALA 137 Cb 0.09 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 3gkf s ALA 137 CO 0.80 -0.77 -0.26 0.14 0.00 0.00 0.00 175.76 175.67 3gkf s VAL 138 N -2.94 2.08 0.05 0.00 -7.23 -0.82 -1.25 120.40 110.29 3gkf s VAL 138 Ca 0.08 -1.32 0.07 0.00 -1.81 0.00 0.00 61.98 59.00 3gkf s VAL 138 Cb -0.01 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 3gkf s VAL 138 CO -0.06 0.40 -0.21 0.00 -0.31 0.00 0.00 175.10 174.92 3gkf s ALA 139 N -0.76 1.76 0.12 1.32 0.00 0.13 0.33 121.76 124.65 3gkf s ALA 139 Ca 0.11 -1.07 -0.06 0.00 0.00 0.00 0.00 51.96 50.94 3gkf s ALA 139 Cb -0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3gkf s ALA 139 CO 0.01 0.39 0.16 0.00 0.00 0.00 0.00 175.76 176.33 3gkf s ALA 140 N -0.83 0.17 -0.05 0.00 0.00 -0.43 0.16 121.76 120.79 3gkf s ALA 140 Ca 0.07 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 3gkf s ALA 140 Cb -0.09 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 3gkf s ALA 140 CO 0.02 -0.53 0.21 -0.65 0.00 0.00 0.00 175.76 174.81 3gkf s GLN 141 N -3.94 3.52 0.01 0.00 -1.52 -1.26 -0.17 119.66 116.29 3gkf s GLN 141 Ca 0.13 -0.11 0.07 0.00 -1.95 0.00 0.00 55.36 53.50 3gkf s GLN 141 Cb 0.05 -3.14 -0.03 0.00 -0.22 0.00 0.00 33.01 29.68 3gkf s GLN 141 CO -0.05 0.71 -0.21 0.54 -0.25 0.00 0.00 175.29 176.03 3gkf s VAL 142 N -1.18 2.53 -0.58 1.09 0.11 0.14 -4.75 120.40 117.76 3gkf s VAL 142 Ca 0.22 -1.11 0.06 0.00 -2.93 0.00 0.00 61.98 58.23 3gkf s VAL 142 Cb -0.13 -1.99 0.24 0.00 -1.53 0.00 0.00 36.38 32.97 3gkf s VAL 142 CO 0.12 0.46 0.65 -1.22 -3.33 0.00 0.00 175.10 171.78 3gkf n TYR 143 N 1.99 2.48 -1.84 1.54 4.01 -1.26 -0.72 117.16 123.36 3gkf n TYR 143 Ca -0.16 -4.00 -0.41 0.00 -0.16 0.00 0.00 57.90 53.17 3gkf n TYR 143 Cb 0.52 -0.48 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 3gkf n TYR 143 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gkf s ILE 144 N -1.96 2.13 0.00 -0.72 -1.09 -1.26 -1.95 121.20 116.36 3gkf s ILE 144 Ca 0.37 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 3gkf s ILE 144 Cb 0.13 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 3gkf s ILE 144 CO -0.06 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 174.29 3gkf n GLY 145 N 0.52 2.93 3.95 6.18 0.00 -1.26 -4.94 105.19 112.56 3gkf n GLY 145 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -3.24 4.45 0.26 1.61 0.01 -0.82 -4.98 113.70 110.98 3gkf s SER 146 Ca 0.00 0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.44 3gkf s SER 146 Cb 0.00 -0.72 0.31 0.00 0.21 0.00 0.00 66.02 65.82 3gkf s SER 146 CO 0.00 -1.82 1.86 -0.08 0.41 0.00 0.00 173.24 173.61 3gkf h GLU 147 N -0.72 1.09 -0.89 12.44 4.81 -1.94 -2.99 114.58 126.38 3gkf h GLU 147 Ca -0.43 -0.15 -0.57 0.00 -0.13 0.00 0.00 59.36 58.09 3gkf h GLU 147 Cb 1.29 -0.20 -0.30 0.00 0.63 0.00 0.00 28.75 30.17 3gkf h GLU 147 CO 0.52 0.83 0.47 0.66 -0.73 0.00 0.00 179.01 180.76 3gkf n TYR 148 N -4.33 2.89 0.15 0.92 4.01 -1.26 -4.67 117.16 114.88 3gkf n TYR 148 Ca 0.08 -2.51 0.03 0.00 -0.16 0.00 0.00 57.90 55.33 3gkf n TYR 148 Cb 0.13 -1.08 0.39 0.00 -0.31 0.00 0.00 39.34 38.48 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 1.71 0.15 -0.00 -0.72 4.81 -1.66 -2.13 114.58 116.73 3gkf h GLU 149 Ca 0.54 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.73 3gkf h GLU 149 Cb 1.45 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.81 3gkf h GLU 149 CO 1.24 0.36 -0.00 1.25 -0.73 0.00 0.00 179.01 181.12 3gkf h HIS 150 N 0.14 0.00 -0.93 0.92 2.76 -1.87 -2.51 115.15 113.66 3gkf h HIS 150 Ca 0.02 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.26 3gkf h HIS 150 Cb 0.45 -0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.35 3gkf h HIS 150 CO 0.00 0.32 0.59 0.37 -1.30 0.00 0.00 177.93 177.92 3gkf h GLN 151 N -0.32 1.04 -0.74 5.26 5.75 -1.89 -1.64 115.11 122.58 3gkf h GLN 151 Ca 0.00 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 3gkf h GLN 151 Cb 0.32 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3gkf h GLN 151 CO 0.00 0.69 0.30 0.66 -2.65 0.00 0.00 178.83 177.83 3gkf h SER 152 N 1.08 1.00 -0.12 -0.69 4.64 -1.19 0.59 113.55 118.85 3gkf h SER 152 Ca 0.41 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.44 3gkf h SER 152 Cb 0.18 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3gkf h SER 152 CO -0.18 0.89 -0.46 0.40 -0.87 0.00 0.00 176.83 176.61 3gkf h ILE 153 N 1.07 1.36 -1.01 0.95 2.04 -1.01 -2.57 117.51 118.35 3gkf h ILE 153 Ca 0.25 -1.76 0.23 0.00 1.00 0.00 0.00 64.86 64.58 3gkf h ILE 153 Cb 0.20 2.12 -0.10 0.00 -0.74 0.00 0.00 36.82 38.29 3gkf h ILE 153 CO -0.02 0.53 0.63 0.11 0.00 0.00 0.00 178.15 179.39 3gkf h LYS 154 N 0.14 0.54 -0.38 2.37 1.57 -0.85 0.17 116.57 120.14 3gkf h LYS 154 Ca -0.02 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3gkf h LYS 154 Cb 1.09 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.26 3gkf h LYS 154 CO 0.10 0.36 0.12 -0.91 -0.57 0.00 0.00 179.45 178.55 3gkf h ASN 155 N 0.56 0.56 0.13 0.86 2.35 -0.51 0.92 115.58 120.44 3gkf h ASN 155 Ca 0.59 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 56.13 3gkf h ASN 155 Cb 1.21 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3gkf h ASN 155 CO -0.35 0.61 -0.06 0.40 -1.65 0.00 0.00 177.43 176.38 3gkf h ILE 156 N 0.47 0.89 -0.43 2.81 1.08 -0.74 -1.89 117.51 119.71 3gkf h ILE 156 Ca 0.12 -0.04 0.09 0.00 -0.39 0.00 0.00 64.86 64.64 3gkf h ILE 156 Cb 0.25 0.91 -0.09 0.00 -3.07 0.00 0.00 36.82 34.82 3gkf h ILE 156 CO -0.00 0.01 -0.26 0.40 -0.69 0.00 0.00 178.15 177.61 3gkf h ILE 157 N -0.19 0.32 -0.42 -0.67 2.04 -0.45 -0.07 117.51 118.06 3gkf h ILE 157 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3gkf h ILE 157 Cb 0.15 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3gkf h ILE 157 CO 0.03 0.00 0.11 -0.61 0.00 0.00 0.00 178.15 177.68 3gkf h GLN 158 N -0.17 0.62 -0.13 2.37 4.15 -0.66 -0.15 115.11 121.14 3gkf h GLN 158 Ca 0.20 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.39 3gkf h GLN 158 Cb 0.49 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 3gkf h GLN 158 CO -0.53 0.56 -0.47 -0.07 -1.93 0.00 0.00 178.83 176.40 3gkf h LEU 159 N 0.61 0.35 -0.18 -2.39 3.38 -0.30 -2.31 115.31 114.46 3gkf h LEU 159 Ca 0.14 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 3gkf h LEU 159 Cb 0.22 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.88 3gkf h LEU 159 CO -0.00 0.77 -0.72 0.58 0.09 0.00 0.00 178.44 179.15 3gkf h VAL 160 N 0.26 1.28 -0.86 1.22 2.07 -0.27 0.64 116.25 120.59 3gkf h VAL 160 Ca 0.02 -1.91 0.06 0.00 0.82 0.00 0.00 66.70 65.69 3gkf h VAL 160 Cb 0.92 1.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.55 3gkf h VAL 160 CO 0.08 0.61 0.53 0.44 0.02 0.00 0.00 177.57 179.25 3gkf h ASP 161 N 0.55 0.84 0.28 0.57 3.32 -0.92 -0.29 116.42 120.78 3gkf h ASP 161 Ca -0.04 0.02 -0.27 0.00 0.02 0.00 0.00 57.03 56.76 3gkf h ASP 161 Cb 1.35 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.75 3gkf h ASP 161 CO 0.15 0.54 -1.12 0.00 -1.72 0.00 0.00 179.24 177.09 3gkf h ALA 162 N 1.41 0.16 -0.08 3.45 0.00 -1.27 -3.25 119.26 119.66 3gkf h ALA 162 Ca 0.38 -0.76 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3gkf h ALA 162 Cb 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gkf h ALA 162 CO -0.17 0.79 -0.47 0.78 0.00 0.00 0.00 179.25 180.17 3gkf h GLY 163 N 0.88 0.22 1.85 0.00 0.00 -0.40 -2.47 103.07 103.15 3gkf h GLY 163 Ca -0.14 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 3gkf h GLY 163 CO 0.20 0.21 -0.37 -0.33 0.00 0.00 0.00 176.54 176.25 3gkf h MET 164 N 0.17 0.17 0.00 4.80 2.07 -1.13 0.66 114.93 121.67 3gkf h MET 164 Ca 0.01 -0.07 -0.00 0.00 -2.07 0.00 0.00 59.70 57.56 3gkf h MET 164 Cb 0.89 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.62 3gkf h MET 164 CO 0.07 0.53 -0.01 0.87 1.07 0.00 0.00 176.91 179.43 3gkf h LYS 165 N 0.15 0.00 0.00 1.72 1.57 -1.48 -3.34 116.57 115.19 3gkf h LYS 165 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3gkf h LYS 165 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3gkf h LYS 165 CO 0.06 0.01 0.00 1.55 -0.57 0.00 0.00 179.45 180.50 3gkf n VAL 166 N -3.12 0.00 -0.46 0.50 3.14 -0.48 -5.01 118.33 112.90 3gkf n VAL 166 Ca -0.01 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 3gkf n VAL 166 Cb 0.24 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.20 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 0.32 0.85 3.48 7.55 0.00 0.21 -4.95 105.19 112.64 3gkf n GLY 167 Ca 0.00 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 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 3.31 0.66 1.61 0.00 0.21 -3.81 119.30 120.27 3gkf s MET 168 Ca 0.00 -0.76 -0.16 0.00 0.00 0.00 0.00 55.69 54.77 3gkf s MET 168 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 34.83 31.07 3gkf s MET 168 CO 0.00 -0.51 1.18 -2.14 0.00 0.00 0.00 175.02 173.55 3gkf s PRO 169 N 1.67 2.61 -0.06 4.11 0.02 -1.26 -4.37 135.00 137.72 3gkf s PRO 169 Ca 0.05 1.67 0.06 0.00 0.02 0.00 0.00 61.00 62.80 3gkf s PRO 169 Cb -0.18 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 3gkf s PRO 169 CO 0.09 -1.45 -0.25 0.99 -0.33 0.00 0.00 177.00 176.05 3gkf s THR 170 N -1.97 2.09 -0.22 0.99 2.01 -1.26 -1.94 115.64 115.34 3gkf s THR 170 Ca 0.73 -1.05 -0.06 0.00 0.31 0.00 0.00 61.69 61.61 3gkf s THR 170 Cb -0.27 -1.76 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 3gkf s THR 170 CO 0.40 0.57 0.04 -0.32 -0.69 0.00 0.00 174.62 174.62 3gkf s MET 171 N -0.13 3.70 -0.23 4.92 1.75 0.15 -1.02 119.30 128.44 3gkf s MET 171 Ca -0.05 -0.47 -0.12 0.00 -1.25 0.00 0.00 55.69 53.81 3gkf s MET 171 Cb -0.14 -3.20 -0.05 0.00 2.84 0.00 0.00 34.83 34.28 3gkf s MET 171 CO 0.04 -0.01 0.22 0.00 -0.65 0.00 0.00 175.02 174.61 3gkf s ALA 172 N 1.12 3.60 -0.15 4.11 0.00 -0.22 -1.31 121.76 128.90 3gkf s ALA 172 Ca 0.03 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.14 3gkf s ALA 172 Cb -0.14 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 3gkf s ALA 172 CO 0.02 -0.22 0.03 0.08 0.00 0.00 0.00 175.76 175.68 3gkf s VAL 173 N 1.12 4.53 -0.45 0.00 1.01 0.76 -0.69 120.40 126.68 3gkf s VAL 173 Ca 0.10 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.72 3gkf s VAL 173 Cb -0.14 -3.00 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3gkf s VAL 173 CO 0.05 0.51 0.77 0.42 0.00 0.00 0.00 175.10 176.85 3gkf s THR 174 N 0.00 4.67 0.07 3.92 -4.23 -0.86 0.26 115.64 119.47 3gkf s THR 174 Ca 0.04 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3gkf s THR 174 Cb -0.12 -4.30 -0.04 0.00 1.34 0.00 0.00 72.50 69.37 3gkf s THR 174 CO 0.01 -0.69 0.22 -0.83 -0.54 0.00 0.00 174.62 172.78 3gkf s GLY 175 N 2.11 2.16 0.00 3.99 0.00 0.10 -4.82 107.32 110.85 3gkf s GLY 175 Ca 0.29 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.16 3gkf s GLY 175 CO 0.22 -0.83 0.00 -0.62 0.00 0.00 0.00 173.10 171.87 3gkf n VAL 176 N 0.23 0.00 -2.33 1.40 0.31 -1.26 -4.39 118.33 112.29 3gkf n VAL 176 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.25 3gkf n VAL 176 Cb 0.51 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.48 3gkf n VAL 176 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gkf n ARG 182 N 0.00 0.60 -4.19 5.55 0.63 -1.26 -5.06 116.66 112.93 3gkf n ARG 182 Ca 0.00 -0.81 -0.29 0.00 -0.92 0.00 0.00 57.85 55.83 3gkf n ARG 182 Cb 0.00 0.38 -0.03 0.00 0.45 0.00 0.00 32.46 33.26 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 -0.78 4.46 0.12 6.15 -4.77 -1.26 -4.98 116.67 115.61 3gkf s ASP 183 Ca 0.04 -1.40 -0.25 0.00 -3.30 0.00 0.00 52.55 47.64 3gkf s ASP 183 Cb 0.20 0.49 -0.06 0.00 -1.09 0.00 0.00 42.92 42.46 3gkf s ASP 183 CO -0.06 -1.04 1.66 -0.61 0.70 0.00 0.00 175.17 175.82 3gkf h GLN 184 N 0.94 -0.30 -0.97 2.11 -0.00 -1.92 -2.03 115.11 112.93 3gkf h GLN 184 Ca -0.39 0.02 0.19 0.00 -0.00 0.00 0.00 58.65 58.47 3gkf h GLN 184 Cb 1.31 0.07 -0.09 0.00 0.00 0.00 0.00 27.48 28.77 3gkf h GLN 184 CO 0.63 -0.20 0.61 0.07 0.00 0.00 0.00 178.83 179.94 3gkf h ARG 185 N -0.32 0.65 0.27 1.69 0.11 -1.94 0.17 114.38 115.01 3gkf h ARG 185 Ca 0.05 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 3gkf h ARG 185 Cb 0.38 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.32 3gkf h ARG 185 CO -0.17 0.43 -0.13 -0.92 0.10 0.00 0.00 179.97 179.28 3gkf h TYR 186 N 0.67 -0.33 0.00 4.08 3.20 -1.79 -2.47 116.97 120.33 3gkf h TYR 186 Ca 0.54 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.38 3gkf h TYR 186 Cb 0.95 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.33 3gkf h TYR 186 CO -0.00 -0.02 -0.09 0.74 -1.64 0.00 0.00 178.16 177.14 3gkf h PHE 187 N -0.65 0.00 0.22 -3.82 0.04 -0.71 -1.28 116.94 110.74 3gkf h PHE 187 Ca -0.04 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 3gkf h PHE 187 Cb 0.46 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 3gkf h PHE 187 CO 0.02 0.09 -0.14 0.77 -0.60 0.00 0.00 178.31 178.45 3gkf h SER 188 N 0.00 -0.36 -0.12 2.17 0.02 -0.61 0.22 113.55 114.87 3gkf h SER 188 Ca -0.00 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 3gkf h SER 188 Cb 0.17 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.78 3gkf h SER 188 CO 0.01 -0.23 -0.12 0.25 -1.14 0.00 0.00 176.83 175.60 3gkf h LEU 189 N -0.35 -0.38 -0.14 5.07 5.85 -0.90 -0.09 115.31 124.36 3gkf h LEU 189 Ca -0.02 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3gkf h LEU 189 Cb 0.30 0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3gkf h LEU 189 CO 0.01 -0.16 0.03 0.00 -0.34 0.00 0.00 178.44 177.98 3gkf h ALA 190 N 0.92 0.19 -0.53 1.25 0.00 -1.10 -1.35 119.26 118.64 3gkf h ALA 190 Ca 0.08 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3gkf h ALA 190 Cb 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3gkf h ALA 190 CO -0.21 -0.16 0.00 1.79 0.00 0.00 0.00 179.25 180.67 3gkf h THR 191 N 0.02 1.25 -0.24 0.00 1.35 -0.45 -2.43 112.91 112.43 3gkf h THR 191 Ca 0.04 -1.06 -0.17 0.00 -0.55 0.00 0.00 66.41 64.67 3gkf h THR 191 Cb 0.28 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 3gkf h THR 191 CO 0.00 0.38 -0.53 -0.09 -0.25 0.00 0.00 175.52 175.03 3gkf h ARG 192 N 0.83 0.78 -0.29 4.72 9.65 -0.82 -0.90 114.38 128.35 3gkf h ARG 192 Ca 0.16 -0.52 0.00 0.00 -1.10 0.00 0.00 59.98 58.52 3gkf h ARG 192 Cb 0.49 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.13 3gkf h ARG 192 CO 0.02 1.15 0.19 0.82 2.80 0.00 0.00 179.97 184.95 3gkf h ILE 193 N 0.52 1.07 -0.18 1.20 2.04 -1.18 0.81 117.51 121.79 3gkf h ILE 193 Ca 0.00 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.77 3gkf h ILE 193 Cb 1.14 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3gkf h ILE 193 CO 0.12 0.07 -0.08 0.00 0.00 0.00 0.00 178.15 178.25 3gkf h ALA 194 N 1.11 0.07 -0.60 1.87 0.00 -1.29 0.20 119.26 120.62 3gkf h ALA 194 Ca 0.11 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3gkf h ALA 194 Cb -0.04 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 3gkf h ALA 194 CO -0.03 -0.52 0.24 0.00 0.00 0.00 0.00 179.25 178.94 3gkf h ALA 195 N 1.10 0.78 -0.54 0.00 0.00 -0.90 -2.34 119.26 117.36 3gkf h ALA 195 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3gkf h ALA 195 Cb 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3gkf h ALA 195 CO -0.22 0.40 0.19 1.49 0.00 0.00 0.00 179.25 181.11 3gkf h GLU 196 N 0.83 0.82 -0.58 0.00 4.57 -0.38 -1.88 114.58 117.97 3gkf h GLU 196 Ca 0.20 -0.16 0.09 0.00 -1.18 0.00 0.00 59.36 58.31 3gkf h GLU 196 Cb 0.21 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 3gkf h GLU 196 CO -0.02 0.74 0.39 0.52 -1.18 0.00 0.00 179.01 179.46 3gkf h MET 197 N 0.73 0.38 0.00 1.92 2.86 -0.10 -3.46 114.93 117.26 3gkf h MET 197 Ca 0.18 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3gkf h MET 197 Cb 0.24 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3gkf h MET 197 CO -0.01 0.25 0.00 0.41 1.06 0.00 0.00 176.91 178.62 3gkf n GLY 198 N -1.52 -0.90 3.74 8.32 0.00 -0.71 -4.90 105.19 109.22 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 3.61 0.07 4.61 0.00 -1.07 -4.84 121.76 124.14 3gkf s ALA 199 Ca 0.00 1.28 0.08 0.00 0.00 0.00 0.00 51.96 53.33 3gkf s ALA 199 Cb 0.00 -3.54 -0.19 0.00 0.00 0.00 0.00 23.12 19.39 3gkf s ALA 199 CO 0.00 -0.70 1.22 1.96 0.00 0.00 0.00 175.76 178.24 3gkf h GLN 200 N 5.09 0.00 -5.82 0.00 7.50 -1.41 -3.42 115.11 117.05 3gkf h GLN 200 Ca -0.46 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.07 3gkf h GLN 200 Cb 1.22 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.44 3gkf h GLN 200 CO 0.78 0.89 -0.86 0.42 -1.50 0.00 0.00 178.83 178.56 3gkf s ILE 201 N -2.72 1.70 -0.14 2.54 1.01 -0.93 -3.80 121.20 118.86 3gkf s ILE 201 Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 3gkf s ILE 201 Cb 0.10 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 3gkf s ILE 201 CO 0.81 0.48 -0.10 -0.63 0.00 0.00 0.00 174.94 175.50 3gkf s ILE 202 N -0.24 3.25 -0.14 2.92 -1.09 -0.44 -1.06 121.20 124.40 3gkf s ILE 202 Ca 0.01 -0.58 -0.02 0.00 -2.23 0.00 0.00 60.65 57.82 3gkf s ILE 202 Cb -0.11 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.36 3gkf s ILE 202 CO 0.01 0.51 -0.06 -0.75 -1.23 0.00 0.00 174.94 173.42 3gkf s LYS 203 N 0.47 3.50 0.09 2.79 2.20 0.13 -0.53 119.74 128.40 3gkf s LYS 203 Ca -0.08 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 54.97 3gkf s LYS 203 Cb -0.15 -2.82 0.01 0.00 -1.51 0.00 0.00 37.83 33.35 3gkf s LYS 203 CO 0.04 0.30 0.14 -2.37 -0.36 0.00 0.00 175.35 173.10 3gkf n THR 204 N 3.35 0.00 -3.98 3.43 5.66 0.11 -2.03 114.28 120.82 3gkf n THR 204 Ca -0.18 -0.38 -0.30 0.00 -3.05 0.00 0.00 64.05 60.15 3gkf n THR 204 Cb 0.53 0.26 -0.05 0.00 -1.55 0.00 0.00 70.33 69.52 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 -5.39 3.36 0.45 1.09 2.02 -1.26 0.43 117.35 118.05 3gkf s TYR 205 Ca 0.06 0.15 -0.21 0.00 -0.37 0.00 0.00 57.07 56.70 3gkf s TYR 205 Cb -0.01 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.78 3gkf s TYR 205 CO 0.04 0.55 0.99 -0.47 -1.57 0.00 0.00 175.55 175.10 3gkf s TYR 206 N -1.50 3.20 -0.05 2.71 5.04 -1.26 -4.95 117.35 120.54 3gkf s TYR 206 Ca 0.32 1.61 0.02 0.00 -2.44 0.00 0.00 57.07 56.58 3gkf s TYR 206 Cb -0.12 -2.95 0.02 0.00 0.35 0.00 0.00 41.96 39.25 3gkf s TYR 206 CO 0.25 -0.40 -0.08 0.08 -1.34 0.00 0.00 175.55 174.06 3gkf s VAL 207 N -2.05 0.83 0.37 3.14 1.01 -1.26 -5.03 120.40 117.41 3gkf s VAL 207 Ca 0.63 -0.30 0.17 0.00 0.00 0.00 0.00 61.98 62.49 3gkf s VAL 207 Cb -0.13 -0.80 0.16 0.00 0.00 0.00 0.00 36.38 35.61 3gkf s VAL 207 CO 0.17 0.29 1.90 -0.33 0.00 0.00 0.00 175.10 177.13 3gkf h GLU 208 N 7.08 0.00 -4.75 2.72 5.08 -1.97 -3.34 114.58 119.41 3gkf h GLU 208 Ca -0.34 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.40 3gkf h GLU 208 Cb 1.17 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.06 3gkf h GLU 208 CO 0.47 0.28 -0.84 0.21 -1.00 0.00 0.00 179.01 178.13 3gkf s LYS 209 N -4.21 2.43 0.00 2.33 2.20 -1.26 -4.82 119.74 116.42 3gkf s LYS 209 Ca -0.03 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 3gkf s LYS 209 Cb 0.14 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 34.27 3gkf s LYS 209 CO 0.68 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 3gkf n GLY 210 N 4.73 0.84 0.37 5.54 0.00 -1.26 -4.39 105.19 111.02 3gkf n GLY 210 Ca -0.18 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 0.42 -0.87 1.61 3.57 -1.88 -1.03 116.94 118.76 3gkf h PHE 211 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3gkf h PHE 211 Cb 0.00 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 3gkf h PHE 211 CO 0.00 0.17 0.55 0.93 -2.23 0.00 0.00 178.31 177.73 3gkf h GLU 212 N 0.37 1.00 -0.49 1.11 5.08 -1.92 -0.62 114.58 119.11 3gkf h GLU 212 Ca 0.32 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.56 3gkf h GLU 212 Cb 0.74 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3gkf h GLU 212 CO -0.09 0.66 0.08 0.00 -1.00 0.00 0.00 179.01 178.66 3gkf h ARG 213 N 1.03 0.77 0.27 2.33 3.08 -1.57 0.25 114.38 120.54 3gkf h ARG 213 Ca 0.36 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3gkf h ARG 213 Cb 0.09 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3gkf h ARG 213 CO -0.14 0.73 -0.13 0.82 -1.07 0.00 0.00 179.97 180.17 3gkf h ILE 214 N 0.73 0.76 -0.28 2.04 2.04 -1.05 0.51 117.51 122.26 3gkf h ILE 214 Ca 0.16 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.78 3gkf h ILE 214 Cb 0.34 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3gkf h ILE 214 CO 0.01 0.06 0.15 0.58 0.00 0.00 0.00 178.15 178.94 3gkf h VAL 215 N -0.50 1.01 -0.73 1.67 2.07 -1.07 -2.32 116.25 116.38 3gkf h VAL 215 Ca -0.04 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3gkf h VAL 215 Cb 0.37 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3gkf h VAL 215 CO 0.06 0.06 0.43 0.00 0.02 0.00 0.00 177.57 178.14 3gkf h ALA 216 N 1.13 1.38 0.00 1.67 0.00 -0.34 -1.79 119.26 121.31 3gkf h ALA 216 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gkf h ALA 216 Cb 0.01 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3gkf h ALA 216 CO -0.06 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.13 3gkf n GLY 217 N -1.28 -1.61 3.73 0.00 0.00 0.16 -4.73 105.19 101.46 3gkf n GLY 217 Ca 0.08 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3gkf n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n PRO 219 N 3.59 1.65 -4.26 0.00 -0.04 -1.26 -4.90 135.00 129.78 3gkf n PRO 219 Ca -0.10 -0.98 -0.14 0.00 -0.04 0.00 0.00 63.50 62.24 3gkf n PRO 219 Cb 0.52 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.84 0.53 0.33 0.52 -7.23 -1.26 -3.53 120.40 107.92 3gkf s VAL 220 Ca 0.33 -1.99 -0.28 0.00 -1.81 0.00 0.00 61.98 58.23 3gkf s VAL 220 Cb 0.18 -2.36 -0.12 0.00 0.56 0.00 0.00 36.38 34.63 3gkf s VAL 220 CO 0.27 -0.24 1.31 -2.65 -0.31 0.00 0.00 175.10 173.48 3gkf n PRO 221 N -0.33 2.13 -4.90 4.82 -0.02 -1.24 -4.78 135.00 130.68 3gkf n PRO 221 Ca -0.03 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.87 3gkf n PRO 221 Cb 0.65 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.97 2.92 0.03 4.25 1.01 -1.26 -1.33 121.20 125.85 3gkf s ILE 222 Ca 0.57 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.56 3gkf s ILE 222 Cb -0.58 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3gkf s ILE 222 CO 0.61 0.56 -0.25 -0.69 0.00 0.00 0.00 174.94 175.17 3gkf s VAL 223 N -0.25 2.24 -0.10 2.92 1.01 0.31 0.30 120.40 126.83 3gkf s VAL 223 Ca 0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 60.69 3gkf s VAL 223 Cb -0.13 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3gkf s VAL 223 CO 0.03 0.42 -0.02 0.27 0.00 0.00 0.00 175.10 175.80 3gkf s ILE 224 N -0.78 4.14 0.32 2.22 -4.36 -0.88 0.06 121.20 121.92 3gkf s ILE 224 Ca 0.12 -0.31 -0.15 0.00 -0.26 0.00 0.00 60.65 60.05 3gkf s ILE 224 Cb -0.10 -2.74 -0.09 0.00 1.25 0.00 0.00 42.46 40.77 3gkf s ILE 224 CO 0.02 0.58 0.74 0.00 0.24 0.00 0.00 174.94 176.52 3gkf s ALA 225 N -0.64 3.32 0.10 2.27 0.00 0.17 0.10 121.76 127.09 3gkf s ALA 225 Ca 0.10 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 3gkf s ALA 225 Cb -0.12 -2.78 -0.16 0.00 0.00 0.00 0.00 23.12 20.06 3gkf s ALA 225 CO 0.02 0.33 1.28 0.78 0.00 0.00 0.00 175.76 178.17 3gkf h GLY 226 N 2.32 0.81 0.00 0.00 0.00 -0.86 -3.39 103.07 101.95 3gkf h GLY 226 Ca -0.48 -1.23 0.00 0.00 0.00 0.00 0.00 47.33 45.62 3gkf h GLY 226 CO 0.65 1.09 0.00 0.61 0.00 0.00 0.00 176.54 178.90 3gkf n GLY 227 N 0.82 -1.22 3.71 4.60 0.00 -1.26 -4.91 105.19 106.93 3gkf n GLY 227 Ca -0.08 -1.36 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 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 2.03 0.30 1.61 -2.85 -1.26 -4.48 119.74 115.09 3gkf s LYS 228 Ca 0.00 1.85 -0.30 0.00 -1.00 0.00 0.00 55.97 56.52 3gkf s LYS 228 Cb 0.00 -1.81 -0.11 0.00 -2.06 0.00 0.00 37.83 33.85 3gkf s LYS 228 CO 0.00 -1.94 1.59 0.21 0.10 0.00 0.00 175.35 175.31 3gkf s LYS 229 N -3.86 4.11 0.26 1.78 2.47 -1.26 -4.81 119.74 118.43 3gkf s LYS 229 Ca 0.76 2.59 0.07 0.00 -1.56 0.00 0.00 55.97 57.83 3gkf s LYS 229 Cb -0.31 -3.01 -0.05 0.00 -1.46 0.00 0.00 37.83 32.99 3gkf s LYS 229 CO 0.46 -0.63 -0.08 -0.51 0.16 0.00 0.00 175.35 174.75 3gkf s LEU 230 N -0.70 2.49 0.34 5.43 1.43 -1.26 -5.04 118.68 121.37 3gkf s LEU 230 Ca 0.62 -1.15 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 3gkf s LEU 230 Cb -0.48 -0.64 -0.12 0.00 0.03 0.00 0.00 46.19 44.98 3gkf s LEU 230 CO 0.50 -0.30 1.40 -0.81 0.23 0.00 0.00 176.35 177.37 3gkf n PRO 231 N -0.53 2.38 -0.17 1.29 -0.04 -1.26 -4.76 135.00 131.91 3gkf n PRO 231 Ca -0.06 0.84 -0.01 0.00 -0.04 0.00 0.00 63.50 64.22 3gkf n PRO 231 Cb 0.63 -2.50 0.07 0.00 -0.04 0.00 0.00 33.50 31.66 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 3.05 0.15 -0.79 0.54 3.07 -1.99 0.15 114.58 118.77 3gkf h GLU 232 Ca -0.48 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 58.56 3gkf h GLU 232 Cb 1.26 -0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 29.02 3gkf h GLU 232 CO 0.66 0.10 0.20 -0.09 -1.40 0.00 0.00 179.01 178.48 3gkf h ARG 233 N 0.16 0.25 -0.32 2.33 1.12 -1.98 0.12 114.38 116.06 3gkf h ARG 233 Ca 0.27 -0.01 -0.16 0.00 -1.11 0.00 0.00 59.98 58.96 3gkf h ARG 233 Cb 0.40 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 3gkf h ARG 233 CO -0.41 0.16 -0.44 0.93 -3.11 0.00 0.00 179.97 177.10 3gkf h GLU 234 N 0.26 0.83 -0.15 0.20 5.08 -1.09 -2.14 114.58 117.55 3gkf h GLU 234 Ca 0.46 -0.46 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3gkf h GLU 234 Cb 0.84 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3gkf h GLU 234 CO -0.56 1.10 0.07 0.00 -1.00 0.00 0.00 179.01 178.61 3gkf h ALA 235 N 0.83 0.20 -0.76 3.43 0.00 -0.35 -1.59 119.26 121.01 3gkf h ALA 235 Ca 0.04 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.93 3gkf h ALA 235 Cb 1.02 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3gkf h ALA 235 CO 0.10 -0.23 0.44 -0.07 0.00 0.00 0.00 179.25 179.49 3gkf h LEU 236 N 0.11 0.66 -0.53 0.00 3.38 -0.76 0.11 115.31 118.28 3gkf h LEU 236 Ca 0.05 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3gkf h LEU 236 Cb 0.14 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3gkf h LEU 236 CO -0.01 0.41 0.31 -0.08 0.09 0.00 0.00 178.44 179.17 3gkf h GLU 237 N 0.79 0.60 -0.43 1.13 4.22 -1.05 0.59 114.58 120.43 3gkf h GLU 237 Ca 0.35 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.79 3gkf h GLU 237 Cb 0.23 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 3gkf h GLU 237 CO -0.20 0.40 0.21 1.98 -2.18 0.00 0.00 179.01 179.22 3gkf h MET 238 N 0.62 0.41 0.08 1.92 4.05 -0.24 0.22 114.93 121.99 3gkf h MET 238 Ca 0.21 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.63 3gkf h MET 238 Cb 0.03 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 3gkf h MET 238 CO -0.10 0.27 -0.21 0.00 0.23 0.00 0.00 176.91 177.10 3gkf h TRP 240 N -0.38 0.58 -0.28 0.00 7.01 0.94 -0.74 115.95 123.08 3gkf h TRP 240 Ca 0.04 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 3gkf h TRP 240 Cb 0.42 -0.16 -0.01 0.00 -2.10 0.00 0.00 29.16 27.30 3gkf h TRP 240 CO -0.22 0.23 0.08 1.96 -2.79 0.00 0.00 178.44 177.71 3gkf h GLN 241 N 0.58 0.44 -0.08 2.65 1.08 -0.12 0.25 115.11 119.90 3gkf h GLN 241 Ca 0.31 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.44 3gkf h GLN 241 Cb 0.28 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.62 3gkf h GLN 241 CO -0.23 0.50 -0.07 0.00 -0.95 0.00 0.00 178.83 178.08 3gkf h ALA 242 N 0.91 -0.00 0.27 3.87 0.00 0.13 0.02 119.26 124.46 3gkf h ALA 242 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gkf h ALA 242 Cb 0.25 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gkf h ALA 242 CO -0.00 -0.54 -0.13 0.82 0.00 0.00 0.00 179.25 179.40 3gkf h ILE 243 N -0.09 0.73 -1.00 0.00 1.08 -1.11 -0.98 117.51 116.15 3gkf h ILE 243 Ca 0.06 -0.01 0.27 0.00 -0.39 0.00 0.00 64.86 64.79 3gkf h ILE 243 Cb 0.17 0.74 -0.05 0.00 -3.07 0.00 0.00 36.82 34.60 3gkf h ILE 243 CO -0.13 0.00 0.69 -0.78 -0.69 0.00 0.00 178.15 177.24 3gkf h ASP 244 N -0.37 0.15 -0.57 1.72 3.58 -0.72 0.26 116.42 120.46 3gkf h ASP 244 Ca -0.04 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 3gkf h ASP 244 Cb 0.29 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 3gkf h ASP 244 CO 0.06 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.46 3gkf n GLN 245 N -4.35 3.21 -0.02 0.28 6.02 -0.03 -4.93 117.38 117.57 3gkf n GLN 245 Ca 0.22 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.77 3gkf n GLN 245 Cb 0.98 -1.76 0.00 0.00 1.02 0.00 0.00 30.24 30.48 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 1.11 0.99 3.76 1.08 0.00 0.91 -4.61 105.19 108.43 3gkf n GLY 246 Ca 0.22 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 2.58 -1.37 4.61 0.00 -0.43 -4.84 121.76 120.30 3gkf s ALA 247 Ca 0.00 0.90 0.23 0.00 0.00 0.00 0.00 51.96 53.09 3gkf s ALA 247 Cb 0.00 -3.41 0.11 0.00 0.00 0.00 0.00 23.12 19.82 3gkf s ALA 247 CO 0.00 -1.06 1.15 0.43 0.00 0.00 0.00 175.76 176.28 3gkf n SER 248 N -1.59 1.17 -3.63 0.00 7.64 0.15 -4.62 113.62 112.73 3gkf n SER 248 Ca 0.13 -0.97 -0.02 0.00 1.01 0.00 0.00 58.87 59.02 3gkf n SER 248 Cb 0.50 0.59 -0.01 0.00 -1.01 0.00 0.00 64.21 64.29 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 -2.80 -0.36 0.02 0.23 0.00 -1.13 -1.13 107.32 102.17 3gkf s GLY 249 Ca 0.14 0.79 0.04 0.00 0.00 0.00 0.00 44.72 45.68 3gkf s GLY 249 CO 0.71 0.20 -0.11 -1.34 0.00 0.00 0.00 173.10 172.56 3gkf s VAL 250 N -2.67 0.84 -0.27 1.40 -7.23 -1.04 -2.08 120.40 109.36 3gkf s VAL 250 Ca 0.12 -0.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.55 3gkf s VAL 250 Cb 0.02 -0.76 0.06 0.00 0.56 0.00 0.00 36.38 36.25 3gkf s VAL 250 CO -0.03 0.01 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.06 3gkf s ASP 251 N -0.85 4.51 -0.49 4.85 2.15 0.28 -1.49 116.67 125.64 3gkf s ASP 251 Ca 0.00 -1.36 -0.17 0.00 0.43 0.00 0.00 52.55 51.45 3gkf s ASP 251 Cb -0.06 -1.58 0.07 0.00 -0.30 0.00 0.00 42.92 41.04 3gkf s ASP 251 CO 0.00 -0.20 0.49 -0.04 -0.17 0.00 0.00 175.17 175.25 3gkf s MET 252 N 1.13 3.04 0.00 4.34 -1.94 -1.25 -0.13 119.30 124.49 3gkf s MET 252 Ca -0.08 -1.17 0.00 0.00 -1.71 0.00 0.00 55.69 52.73 3gkf s MET 252 Cb -0.20 -4.12 0.00 0.00 2.01 0.00 0.00 34.83 32.52 3gkf s MET 252 CO -0.04 -1.11 0.00 0.41 -0.01 0.00 0.00 175.02 174.27 3gkf n GLY 253 N 5.19 1.64 0.33 -0.03 0.00 -1.26 -3.86 105.19 107.19 3gkf n GLY 253 Ca -0.10 0.00 0.13 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 0.55 0.00 1.61 -0.00 -1.89 0.74 114.38 115.39 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 0.36 0.00 0.09 0.00 0.00 0.00 179.97 180.42 3gkf n ASN 255 N -4.92 0.00 -0.00 7.04 3.02 -1.26 -1.26 115.26 117.88 3gkf n ASN 255 Ca 0.22 0.33 -0.01 0.00 -0.03 0.00 0.00 54.58 55.09 3gkf n ASN 255 Cb 0.61 -0.36 -0.00 0.00 -0.61 0.00 0.00 39.78 39.42 3gkf n ASN 255 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3gkf n ILE 256 N -1.36 0.50 0.31 2.41 5.41 0.25 -4.36 119.36 122.53 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 0.02 -1.47 1.04 0.00 -0.71 0.00 0.00 39.64 38.52 3gkf n ILE 256 CO 0.00 0.00 0.00 2.19 0.00 0.00 0.00 176.55 178.74 3gkf h PHE 257 N -0.16 0.00 0.00 1.39 -5.15 -1.42 -0.74 116.94 110.86 3gkf h PHE 257 Ca 0.00 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.73 3gkf h PHE 257 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.32 3gkf h PHE 257 CO -0.07 0.00 -1.00 1.96 -2.00 0.00 0.00 178.31 177.21 3gkf h GLN 258 N 0.00 0.00 -6.96 6.09 4.20 -1.40 -3.47 115.11 113.56 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 0.00 0.00 0.15 0.00 0.30 0.00 0.00 27.48 27.93 3gkf h GLN 258 CO 0.00 0.08 0.46 0.45 -0.67 0.00 0.00 178.83 179.15 3gkf n SER 259 N -2.78 2.14 0.26 1.46 2.88 -0.29 -4.89 113.62 112.41 3gkf n SER 259 Ca -0.02 0.94 0.14 0.00 -1.33 0.00 0.00 58.87 58.60 3gkf n SER 259 Cb 0.62 -1.52 0.63 0.00 -0.75 0.00 0.00 64.21 63.19 3gkf n SER 259 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gkf h ASP 260 N 1.20 0.00 -2.28 -3.46 3.32 -1.91 -3.31 116.42 109.98 3gkf h ASP 260 Ca -0.50 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.96 3gkf h ASP 260 Cb 1.32 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.46 3gkf h ASP 260 CO 0.56 0.10 -0.74 1.41 -1.72 0.00 0.00 179.24 178.84 3gkf n HIS 261 N -3.29 2.29 0.26 4.55 8.25 -1.26 -4.99 115.22 121.03 3gkf n HIS 261 Ca -0.00 -3.97 -0.16 0.00 -0.26 0.00 0.00 57.72 53.32 3gkf n HIS 261 Cb 0.33 -0.46 -0.08 0.00 1.12 0.00 0.00 29.99 30.90 3gkf n HIS 261 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3gkf h PRO 262 N 4.39 -0.73 -0.96 -0.41 0.11 -1.79 -2.04 132.00 130.57 3gkf h PRO 262 Ca 0.16 0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.35 3gkf h PRO 262 Cb 0.74 0.17 -0.05 0.00 0.11 0.00 0.00 31.00 31.97 3gkf h PRO 262 CO 0.70 -0.49 0.63 0.28 -0.21 0.00 0.00 178.00 178.91 3gkf h VAL 263 N -0.76 1.19 -0.70 3.15 2.07 -1.94 0.11 116.25 119.37 3gkf h VAL 263 Ca -0.04 -0.43 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3gkf h VAL 263 Cb 0.65 -0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.22 3gkf h VAL 263 CO -0.01 0.23 0.44 0.00 0.02 0.00 0.00 177.57 178.25 3gkf h ALA 264 N 1.38 0.91 -0.48 1.67 0.00 -1.81 -2.10 119.26 118.83 3gkf h ALA 264 Ca 0.37 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.28 3gkf h ALA 264 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 3gkf h ALA 264 CO -0.11 0.22 0.28 1.98 0.00 0.00 0.00 179.25 181.62 3gkf h MET 265 N 0.87 0.54 -0.64 0.00 -1.53 -0.12 -1.72 114.93 112.33 3gkf h MET 265 Ca 0.28 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.51 3gkf h MET 265 Cb 0.01 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.90 3gkf h MET 265 CO -0.10 0.36 0.42 0.52 0.14 0.00 0.00 176.91 178.24 3gkf h MET 266 N 0.56 0.85 -0.55 0.39 2.86 -0.56 0.25 114.93 118.73 3gkf h MET 266 Ca 0.20 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.75 3gkf h MET 266 Cb 0.03 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.48 3gkf h MET 266 CO -0.10 0.58 0.21 0.87 1.06 0.00 0.00 176.91 179.53 3gkf h LYS 267 N 0.87 0.79 0.14 1.72 1.57 -1.14 0.81 116.57 121.34 3gkf h LYS 267 Ca 0.23 -0.12 0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3gkf h LYS 267 Cb -0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3gkf h LYS 267 CO -0.05 0.65 -0.18 0.00 -0.57 0.00 0.00 179.45 179.31 3gkf h ALA 268 N 1.45 -0.33 -0.68 3.86 0.00 -0.09 -1.14 119.26 122.34 3gkf h ALA 268 Ca 0.19 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3gkf h ALA 268 Cb 0.16 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3gkf h ALA 268 CO -0.02 -0.71 0.36 0.28 0.00 0.00 0.00 179.25 179.16 3gkf h VAL 269 N -0.37 1.22 -0.50 0.00 2.07 0.74 -2.00 116.25 117.41 3gkf h VAL 269 Ca 0.01 -0.57 0.08 0.00 0.82 0.00 0.00 66.70 67.05 3gkf h VAL 269 Cb 0.37 0.34 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3gkf h VAL 269 CO -0.08 0.24 0.15 1.56 0.02 0.00 0.00 177.57 179.46 3gkf h GLN 270 N 0.94 0.29 0.02 1.57 4.20 0.82 -0.04 115.11 122.91 3gkf h GLN 270 Ca 0.24 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 3gkf h GLN 270 Cb 0.06 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3gkf h GLN 270 CO -0.04 0.19 -0.01 0.00 -0.67 0.00 0.00 178.83 178.31 3gkf h ALA 271 N 1.36 -0.03 -0.31 3.87 0.00 -0.57 0.18 119.26 123.76 3gkf h ALA 271 Ca 0.25 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3gkf h ALA 271 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3gkf h ALA 271 CO -0.28 -0.50 0.17 0.28 0.00 0.00 0.00 179.25 178.91 3gkf h VAL 272 N -0.05 1.02 0.36 0.00 2.07 -0.88 0.55 116.25 119.31 3gkf h VAL 272 Ca -0.00 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 3gkf h VAL 272 Cb 0.05 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3gkf h VAL 272 CO 0.00 0.06 -0.17 0.58 0.02 0.00 0.00 177.57 178.07 3gkf h VAL 273 N 0.35 0.00 0.23 2.57 2.07 -0.68 -3.06 116.25 117.74 3gkf h VAL 273 Ca 0.12 -0.44 -0.34 0.00 0.82 0.00 0.00 66.70 66.87 3gkf h VAL 273 Cb 0.02 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.81 3gkf h VAL 273 CO -0.07 0.00 -1.56 0.45 0.02 0.00 0.00 177.57 176.41 3gkf h HIS 274 N -0.92 0.89 -0.01 1.57 -0.00 -1.09 -3.38 115.15 112.21 3gkf h HIS 274 Ca -0.05 -0.65 0.00 0.00 -0.00 0.00 0.00 60.37 59.67 3gkf h HIS 274 Cb 0.37 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.74 3gkf h HIS 274 CO 0.02 1.60 -0.74 0.72 -0.00 0.00 0.00 177.93 179.53 3gkf n HIS 275 N -3.69 0.00 -0.78 2.45 8.25 -0.79 -4.97 115.22 115.69 3gkf n HIS 275 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 3gkf n HIS 275 Cb 1.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.20 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 -0.82 -0.46 -4.57 0.41 3.02 0.12 -4.96 115.26 107.99 3gkf n ASN 276 Ca 0.06 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.22 3gkf n ASN 276 Cb 0.38 -0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.51 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 -2.15 0.97 -2.03 3.52 -0.58 -0.90 -4.92 120.64 114.54 3gkf n GLU 277 Ca 0.00 0.36 -0.32 0.00 -0.42 0.00 0.00 57.16 56.78 3gkf n GLU 277 Cb 0.00 -1.99 0.01 0.00 -0.57 0.00 0.00 31.44 28.89 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 -1.47 3.93 0.23 2.62 -1.32 -1.26 -4.39 115.64 113.98 3gkf s THR 278 Ca 0.69 0.88 -0.09 0.00 -1.21 0.00 0.00 61.69 61.96 3gkf s THR 278 Cb -0.48 -3.43 0.22 0.00 -1.51 0.00 0.00 72.50 67.30 3gkf s THR 278 CO 0.53 -0.58 1.66 0.00 -2.21 0.00 0.00 174.62 174.03 3gkf h ALA 279 N 0.36 0.71 0.41 11.08 0.00 -1.91 -1.10 119.26 128.81 3gkf h ALA 279 Ca -0.46 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 3gkf h ALA 279 Cb 1.21 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3gkf h ALA 279 CO 0.58 -0.39 -0.20 -0.44 0.00 0.00 0.00 179.25 178.80 3gkf h ASP 280 N 0.15 -0.47 -0.38 0.00 5.19 -1.97 0.19 116.42 119.13 3gkf h ASP 280 Ca 0.36 -0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.84 3gkf h ASP 280 Cb 0.60 0.12 -0.08 0.00 0.18 0.00 0.00 39.33 40.15 3gkf h ASP 280 CO -0.55 -0.30 -0.13 0.03 -3.12 0.00 0.00 179.24 175.17 3gkf h ARG 281 N -0.60 -0.05 -0.16 3.56 3.08 -1.87 0.06 114.38 118.40 3gkf h ARG 281 Ca -0.06 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 281 Cb 0.45 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 3gkf h ARG 281 CO 0.09 -0.03 -0.45 0.00 -1.07 0.00 0.00 179.97 178.51 3gkf h ALA 282 N 1.29 -0.63 -0.94 0.04 0.00 -0.78 0.80 119.26 119.04 3gkf h ALA 282 Ca 0.19 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.24 3gkf h ALA 282 Cb 0.34 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 3gkf h ALA 282 CO -0.42 -0.95 0.55 -0.92 0.00 0.00 0.00 179.25 177.51 3gkf h TYR 283 N -0.49 0.98 -0.16 0.00 -0.00 0.25 -0.60 116.97 116.95 3gkf h TYR 283 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 58.73 58.84 3gkf h TYR 283 Cb 0.63 -0.29 -0.01 0.00 -0.00 0.00 0.00 36.73 37.06 3gkf h TYR 283 CO -0.52 0.29 0.09 0.93 -0.00 0.00 0.00 178.16 178.95 3gkf h GLU 284 N 0.79 0.21 0.00 1.82 5.08 0.10 0.36 114.58 122.94 3gkf h GLU 284 Ca 0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 3gkf h GLU 284 Cb 0.66 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3gkf h GLU 284 CO -0.33 0.20 0.00 1.37 -1.00 0.00 0.00 179.01 179.25 3gkf h LEU 285 N 0.17 0.00 0.62 1.33 -0.00 -0.82 0.47 115.31 117.07 3gkf h LEU 285 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 3gkf h LEU 285 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.69 3gkf h LEU 285 CO -0.01 0.00 -0.47 0.22 -0.00 0.00 0.00 178.44 178.18 3gkf h TYR 286 N 0.00 -1.26 -0.81 0.17 3.20 0.12 0.15 116.97 118.54 3gkf h TYR 286 Ca 0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3gkf h TYR 286 Cb 0.28 0.47 -0.04 0.00 1.54 0.00 0.00 36.73 38.98 3gkf h TYR 286 CO 0.00 -0.66 0.37 -0.07 -1.64 0.00 0.00 178.16 176.15 3gkf h LEU 287 N -1.05 1.08 -0.51 2.82 3.38 -0.50 -2.44 115.31 118.08 3gkf h LEU 287 Ca -0.08 -0.14 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3gkf h LEU 287 Cb 0.87 -0.28 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 3gkf h LEU 287 CO 0.02 0.92 -0.20 -1.28 0.09 0.00 0.00 178.44 178.00 3gkf h SER 288 N 1.17 -0.70 1.41 -0.43 0.87 0.09 -3.04 113.55 112.92 3gkf h SER 288 Ca 0.28 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.01 3gkf h SER 288 Cb 0.15 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3gkf h SER 288 CO -0.03 -0.23 0.00 -0.33 -0.53 0.00 0.00 176.83 175.71 3gkf h GLU 289 N -0.08 0.00 0.00 2.24 4.39 -0.22 -3.50 114.58 117.41 3gkf h GLU 289 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3gkf h GLU 289 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3gkf h GLU 289 CO -0.57 0.00 0.00 1.63 -1.16 0.00 0.00 179.01 178.91