#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 -0.24 1.61 1.02 -1.26 -5.11 119.74 118.60 3gkf s LYS 11 Ca 0.00 -0.53 0.02 0.00 0.02 0.00 0.00 55.97 55.48 3gkf s LYS 11 Cb 0.00 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.66 3gkf s LYS 11 CO 0.00 0.66 -0.12 0.34 -0.92 0.00 0.00 175.35 175.31 3gkf s ASP 12 N -1.23 4.17 0.00 2.83 2.15 -1.26 -4.96 116.67 118.38 3gkf s ASP 12 Ca 0.16 -1.19 0.26 0.00 0.43 0.00 0.00 52.55 52.22 3gkf s ASP 12 Cb -0.11 -1.55 0.61 0.00 -0.30 0.00 0.00 42.92 41.56 3gkf s ASP 12 CO 0.06 -0.15 1.49 0.49 -0.17 0.00 0.00 175.17 176.90 3gkf n PHE 13 N 4.50 0.00 -3.78 -5.34 3.72 -1.26 -4.96 117.46 110.35 3gkf n PHE 13 Ca -0.16 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 56.94 3gkf n PHE 13 Cb 0.44 -0.01 0.03 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 0.60 -1.85 0.26 -1.08 3.00 -1.26 -4.81 116.66 111.52 3gkf n ARG 14 Ca 0.16 0.43 0.13 0.00 -0.00 0.00 0.00 57.85 58.56 3gkf n ARG 14 Cb 0.46 -4.17 0.73 0.00 0.00 0.00 0.00 32.46 29.48 3gkf n ARG 14 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3gkf h THR 15 N -1.93 0.53 0.00 5.15 1.35 -2.02 -2.15 112.91 113.84 3gkf h THR 15 Ca -0.66 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.66 3gkf h THR 15 Cb 1.37 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3gkf h THR 15 CO 0.52 0.11 0.00 -0.90 -0.25 0.00 0.00 175.52 175.01 3gkf n ASP 16 N -3.59 0.67 -4.06 5.36 5.75 -1.26 -4.51 116.55 114.91 3gkf n ASP 16 Ca -0.02 0.61 -0.32 0.00 -0.01 0.00 0.00 54.79 55.05 3gkf n ASP 16 Cb 0.24 -0.77 -0.15 0.00 -1.03 0.00 0.00 41.12 39.41 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 -3.19 2.28 -0.02 0.11 0.74 -0.81 -5.11 119.66 113.66 3gkf s GLN 17 Ca 0.08 -1.22 -0.20 0.00 0.05 0.00 0.00 55.36 54.07 3gkf s GLN 17 Cb 0.11 -2.79 -0.05 0.00 1.10 0.00 0.00 33.01 31.38 3gkf s GLN 17 CO 0.48 -0.52 0.57 -1.25 -0.55 0.00 0.00 175.29 174.03 3gkf s PRO 18 N 1.17 4.30 0.20 1.67 0.04 -1.26 -4.91 135.00 136.21 3gkf s PRO 18 Ca -0.06 0.68 -0.32 0.00 0.04 0.00 0.00 61.00 61.34 3gkf s PRO 18 Cb -0.19 -3.35 -0.14 0.00 0.04 0.00 0.00 34.50 30.86 3gkf s PRO 18 CO -0.06 0.36 1.36 0.94 0.04 0.00 0.00 177.00 179.64 3gkf n GLN 19 N 2.80 1.78 -4.44 4.56 7.27 -1.26 -4.99 117.38 123.09 3gkf n GLN 19 Ca -0.07 0.63 -0.20 0.00 0.07 0.00 0.00 57.00 57.43 3gkf n GLN 19 Cb 0.51 -2.26 -0.14 0.00 2.41 0.00 0.00 30.24 30.76 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 -0.19 0.95 -0.06 3.69 2.20 -1.26 -5.13 119.74 119.94 3gkf s LYS 20 Ca 0.72 -0.62 -0.26 0.00 -0.36 0.00 0.00 55.97 55.45 3gkf s LYS 20 Cb -0.72 -0.94 -0.03 0.00 -1.51 0.00 0.00 37.83 34.63 3gkf s LYS 20 CO 0.49 0.24 0.82 -0.80 -0.36 0.00 0.00 175.35 175.74 3gkf s ASN 21 N -0.77 7.12 -0.18 1.43 0.01 -1.26 -5.03 114.94 116.26 3gkf s ASN 21 Ca 0.03 1.35 -0.29 0.00 -0.71 0.00 0.00 52.86 53.24 3gkf s ASN 21 Cb -0.07 -2.47 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 3gkf s ASN 21 CO 0.00 -0.20 1.06 -0.63 -1.51 0.00 0.00 177.10 175.82 3gkf s ILE 22 N 1.05 4.65 0.61 0.60 1.09 -1.26 -5.00 121.20 122.94 3gkf s ILE 22 Ca 0.43 1.97 -0.18 0.00 -1.10 0.00 0.00 60.65 61.77 3gkf s ILE 22 Cb -0.19 -4.27 -0.02 0.00 -1.06 0.00 0.00 42.46 36.92 3gkf s ILE 22 CO 0.21 -0.12 1.18 -2.84 -0.10 0.00 0.00 174.94 173.28 3gkf s PRO 23 N 2.84 2.89 -0.33 2.79 0.02 -1.26 -5.01 135.00 136.94 3gkf s PRO 23 Ca 0.47 1.73 -0.07 0.00 0.02 0.00 0.00 61.00 63.14 3gkf s PRO 23 Cb -0.17 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.45 3gkf s PRO 23 CO 0.11 -1.25 0.11 0.12 -0.33 0.00 0.00 177.00 175.77 3gkf s PHE 24 N -1.77 3.22 -0.54 6.54 5.36 -1.26 -5.00 117.98 124.53 3gkf s PHE 24 Ca 0.75 -1.21 0.23 0.00 -0.96 0.00 0.00 56.93 55.74 3gkf s PHE 24 Cb -0.28 -2.30 0.06 0.00 -0.34 0.00 0.00 43.02 40.16 3gkf s PHE 24 CO 0.35 -0.67 1.04 0.25 -1.46 0.00 0.00 175.22 174.73 3gkf n THR 25 N 4.86 0.23 -1.55 0.12 -2.24 -1.26 -4.54 114.28 109.90 3gkf n THR 25 Ca -0.13 -0.30 -0.51 0.00 -2.27 0.00 0.00 64.05 60.84 3gkf n THR 25 Cb 0.46 0.09 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 3gkf n THR 25 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3gkf n LEU 26 N -2.08 1.07 -4.65 3.22 7.94 -1.26 -4.72 117.00 116.52 3gkf n LEU 26 Ca 0.02 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 3gkf n LEU 26 Cb 0.46 -1.14 -0.03 0.00 0.53 0.00 0.00 43.42 43.24 3gkf n LEU 26 CO 0.40 -1.48 1.59 -0.75 -1.11 0.00 0.00 177.39 176.04 3gkf s LYS 27 N -0.16 4.02 -0.07 1.96 2.20 -1.26 -2.04 119.74 124.39 3gkf s LYS 27 Ca 0.78 2.45 0.00 0.00 -0.36 0.00 0.00 55.97 58.84 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 0.52 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.84 3gkf n GLY 28 N 4.62 0.44 0.82 5.54 0.00 -1.23 -3.75 105.19 111.64 3gkf n GLY 28 Ca 0.21 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.09 -1.36 2.11 0.00 0.00 -1.26 -3.99 105.19 99.59 3gkf n GLY 30 Ca 0.25 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.43 4.99 -2.38 4.61 0.00 -1.26 -4.95 120.51 120.09 3gkf n ALA 31 Ca 0.08 -3.87 -0.29 0.00 0.00 0.00 0.00 53.44 49.36 3gkf n ALA 31 Cb 0.32 -0.37 -0.13 0.00 0.00 0.00 0.00 19.45 19.27 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.59 2.29 1.01 0.00 1.43 -1.26 -5.11 118.68 113.45 3gkf s LEU 32 Ca 0.50 -0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 3gkf s LEU 32 Cb 0.41 -1.23 0.20 0.00 0.03 0.00 0.00 46.19 45.59 3gkf s LEU 32 CO -0.00 0.20 1.10 -0.62 0.23 0.00 0.00 176.35 177.26 3gkf s ASP 33 N -1.89 2.13 0.15 2.29 2.15 -1.26 -4.62 116.67 115.61 3gkf s ASP 33 Ca 0.14 1.97 -0.17 0.00 0.43 0.00 0.00 52.55 54.91 3gkf s ASP 33 Cb -0.10 -2.49 0.03 0.00 -0.30 0.00 0.00 42.92 40.07 3gkf s ASP 33 CO 0.05 -3.56 1.74 -0.25 -0.17 0.00 0.00 175.17 172.98 3gkf h TRP 34 N -2.18 0.13 -0.69 -5.34 7.01 -1.99 -1.41 115.95 111.48 3gkf h TRP 34 Ca -0.50 0.02 0.03 0.00 2.11 0.00 0.00 58.89 60.55 3gkf h TRP 34 Cb 1.29 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 28.30 3gkf h TRP 34 CO 0.42 0.04 0.43 0.78 -2.79 0.00 0.00 178.44 177.32 3gkf h GLY 35 N 0.20 0.99 1.05 2.65 0.00 -1.92 0.16 103.07 106.20 3gkf h GLY 35 Ca 0.14 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 3gkf h GLY 35 CO -0.17 0.28 -0.20 1.98 0.00 0.00 0.00 176.54 178.43 3gkf h MET 36 N 0.85 0.90 -0.11 4.80 1.85 -1.55 -0.99 114.93 120.67 3gkf h MET 36 Ca 0.28 -0.39 -0.05 0.00 -0.61 0.00 0.00 59.70 58.93 3gkf h MET 36 Cb 0.01 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 3gkf h MET 36 CO -0.10 1.04 -0.14 1.96 -0.40 0.00 0.00 176.91 179.26 3gkf h GLN 37 N 0.72 0.18 -0.06 0.39 4.20 -0.79 -1.89 115.11 117.85 3gkf h GLN 37 Ca 0.10 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 3gkf h GLN 37 Cb 0.76 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 3gkf h GLN 37 CO 0.06 0.32 -0.00 1.03 -0.67 0.00 0.00 178.83 179.57 3gkf h SER 38 N 0.17 0.11 -0.69 1.46 0.87 -0.00 -0.15 113.55 115.31 3gkf h SER 38 Ca 0.03 -0.32 -0.02 0.00 -1.23 0.00 0.00 61.79 60.25 3gkf h SER 38 Cb 0.36 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3gkf h SER 38 CO 0.02 0.41 0.34 0.03 -0.53 0.00 0.00 176.83 177.10 3gkf h ARG 39 N -0.19 0.99 -0.08 2.24 3.08 -0.81 -0.64 114.38 118.96 3gkf h ARG 39 Ca 0.02 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 3gkf h ARG 39 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3gkf h ARG 39 CO 0.00 0.77 -0.17 -0.07 -1.07 0.00 0.00 179.97 179.44 3gkf h LEU 40 N 0.96 0.12 -0.85 3.04 3.38 -1.25 -1.87 115.31 118.83 3gkf h LEU 40 Ca 0.24 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3gkf h LEU 40 Cb 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3gkf h LEU 40 CO -0.03 0.30 -0.21 0.28 0.09 0.00 0.00 178.44 178.87 3gkf h SER 41 N 0.13 0.00 -0.50 -0.43 0.02 0.47 0.21 113.55 113.44 3gkf h SER 41 Ca 0.02 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 3gkf h SER 41 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3gkf h SER 41 CO 0.02 0.21 -0.19 0.03 -1.14 0.00 0.00 176.83 175.76 3gkf h ARG 42 N 0.00 1.02 0.09 3.45 3.08 -0.47 -3.34 114.38 118.20 3gkf h ARG 42 Ca -0.00 -0.42 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 3gkf h ARG 42 Cb 0.85 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3gkf h ARG 42 CO 0.03 1.11 -0.04 0.82 -1.07 0.00 0.00 179.97 180.81 3gkf h ILE 43 N 0.88 0.82 -3.80 2.04 2.04 -1.20 -3.44 117.51 114.85 3gkf h ILE 43 Ca 0.12 -1.38 -0.63 0.00 1.00 0.00 0.00 64.86 63.97 3gkf h ILE 43 Cb 0.78 1.47 -0.16 0.00 -0.74 0.00 0.00 36.82 38.16 3gkf h ILE 43 CO 0.06 0.25 -0.45 -0.36 0.00 0.00 0.00 178.15 177.65 3gkf s PHE 44 N -2.59 3.24 0.13 1.37 0.08 0.00 -4.53 117.98 115.68 3gkf s PHE 44 Ca -0.11 0.21 -0.32 0.00 0.12 0.00 0.00 56.93 56.83 3gkf s PHE 44 Cb -0.01 -2.41 -0.12 0.00 -0.57 0.00 0.00 43.02 39.92 3gkf s PHE 44 CO 0.39 -0.14 1.76 -1.71 -0.10 0.00 0.00 175.22 175.42 3gkf n ASN 45 N 4.98 3.76 -0.13 1.36 2.85 0.00 -4.50 115.26 123.58 3gkf n ASN 45 Ca -0.13 1.02 -0.03 0.00 -0.11 0.00 0.00 54.58 55.34 3gkf n ASN 45 Cb 0.52 -1.51 0.19 0.00 1.24 0.00 0.00 39.78 40.22 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 7.64 0.83 0.21 1.20 0.11 -1.90 3.04 132.00 143.13 3gkf h PRO 46 Ca -0.46 -0.17 -0.01 0.00 0.11 0.00 0.00 66.00 65.48 3gkf h PRO 46 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3gkf h PRO 46 CO 0.94 0.74 -0.10 0.87 -0.21 0.00 0.00 178.00 180.24 3gkf h LYS 47 N 0.80 -0.27 0.00 1.05 1.79 -1.98 -3.33 116.57 114.63 3gkf h LYS 47 Ca 0.18 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 3gkf h LYS 47 Cb 0.28 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3gkf h LYS 47 CO -0.00 -0.04 -1.72 0.25 -1.08 0.00 0.00 179.45 176.86 3gkf n THR 48 N -5.13 0.04 -1.88 -0.16 -2.24 -1.12 -4.98 114.28 98.81 3gkf n THR 48 Ca -0.09 -0.40 -0.08 0.00 -2.27 0.00 0.00 64.05 61.21 3gkf n THR 48 Cb 0.20 0.17 -0.01 0.00 -2.10 0.00 0.00 70.33 68.59 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 1.30 0.33 3.21 3.38 0.00 1.01 -4.97 105.19 109.45 3gkf n GLY 49 Ca -0.02 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.31 3gkf n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gkf s LYS 50 N -3.89 1.07 -0.00 1.61 1.02 -1.19 -4.77 119.74 113.58 3gkf s LYS 50 Ca 0.00 -1.45 -0.06 0.00 0.02 0.00 0.00 55.97 54.48 3gkf s LYS 50 Cb 0.00 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.59 3gkf s LYS 50 CO 0.00 -0.34 0.12 -0.08 -0.92 0.00 0.00 175.35 174.13 3gkf s THR 51 N -4.07 0.08 -0.27 2.17 -1.32 -0.21 -0.82 115.64 111.20 3gkf s THR 51 Ca 0.27 -0.63 -0.04 0.00 -1.21 0.00 0.00 61.69 60.09 3gkf s THR 51 Cb 0.06 -0.38 0.02 0.00 -1.51 0.00 0.00 72.50 70.69 3gkf s THR 51 CO 0.05 -0.34 0.01 -0.69 -2.21 0.00 0.00 174.62 171.43 3gkf s VAL 52 N -1.20 3.40 -0.15 5.08 1.01 -1.26 -2.48 120.40 124.79 3gkf s VAL 52 Ca -0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 3gkf s VAL 52 Cb -0.07 -2.75 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 3gkf s VAL 52 CO 0.01 0.13 -0.04 -0.32 0.00 0.00 0.00 175.10 174.88 3gkf s MET 53 N 1.41 3.65 -0.52 2.72 0.00 -0.79 -0.60 119.30 125.17 3gkf s MET 53 Ca 0.01 -0.53 -0.12 0.00 0.00 0.00 0.00 55.69 55.05 3gkf s MET 53 Cb -0.17 -2.89 0.13 0.00 0.00 0.00 0.00 34.83 31.90 3gkf s MET 53 CO -0.01 0.24 0.42 -1.17 0.00 0.00 0.00 175.02 174.50 3gkf s LEU 54 N 0.36 5.92 -0.25 4.11 2.96 -0.25 -3.98 118.68 127.55 3gkf s LEU 54 Ca -0.05 -1.93 -0.12 0.00 -0.22 0.00 0.00 54.13 51.81 3gkf s LEU 54 Cb -0.14 -2.09 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 3gkf s LEU 54 CO 0.03 -0.74 0.21 0.00 -1.32 0.00 0.00 176.35 174.53 3gkf s ALA 55 N 1.35 3.58 -0.41 5.97 0.00 -1.26 -1.98 121.76 129.01 3gkf s ALA 55 Ca 0.06 -0.91 0.10 0.00 0.00 0.00 0.00 51.96 51.21 3gkf s ALA 55 Cb -0.27 -2.44 0.42 0.00 0.00 0.00 0.00 23.12 20.84 3gkf s ALA 55 CO 0.00 -0.35 1.00 1.97 0.00 0.00 0.00 175.76 178.38 3gkf n PHE 56 N 4.63 2.40 0.93 0.00 1.16 0.85 -4.72 117.46 122.72 3gkf n PHE 56 Ca -0.13 -3.17 0.11 0.00 -1.87 0.00 0.00 57.45 52.38 3gkf n PHE 56 Cb 0.52 -0.26 0.06 0.00 -1.61 0.00 0.00 39.48 38.19 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 -0.24 2.58 0.20 5.98 5.75 -1.23 -4.52 116.55 125.07 3gkf n ASP 57 Ca 0.26 -1.79 0.16 0.00 -0.01 0.00 0.00 54.79 53.42 3gkf n ASP 57 Cb 0.68 0.15 0.81 0.00 -1.03 0.00 0.00 41.12 41.73 3gkf n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gkf h HIS 58 N 3.74 0.00 -0.16 2.11 -0.00 -1.93 0.47 115.15 119.37 3gkf h HIS 58 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.42 3gkf h HIS 58 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.27 3gkf h HIS 58 CO 0.00 0.00 0.55 0.78 -0.00 0.00 0.00 177.93 179.26 3gkf h GLY 59 N 0.00 0.00 1.59 2.45 0.00 -1.80 -1.51 103.07 103.80 3gkf h GLY 59 Ca 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 3gkf h GLY 59 CO -0.00 0.00 0.15 0.10 0.00 0.00 0.00 176.54 176.79 3gkf h TYR 60 N 0.00 0.53 0.00 5.60 -0.00 -1.19 -1.71 116.97 120.20 3gkf h TYR 60 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.79 3gkf h TYR 60 Cb 1.17 -0.17 0.00 0.00 0.00 0.00 0.00 36.73 37.73 3gkf h TYR 60 CO 0.00 0.43 0.00 1.97 -0.00 0.00 0.00 178.16 180.56 3gkf n PHE 61 N -4.38 0.00 0.31 0.10 1.16 -0.98 -4.70 117.46 108.96 3gkf n PHE 61 Ca 0.02 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.64 3gkf n PHE 61 Cb 0.15 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.97 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 3.50 0.00 3.97 6.02 -0.61 -1.78 117.38 128.18 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 -0.95 0.00 0.00 1.02 0.00 0.00 30.24 30.34 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 1.36 -0.41 3.22 1.08 0.00 -0.66 -4.22 105.19 105.55 3gkf n GLY 63 Ca 0.01 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 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 2.42 -1.00 1.61 -0.02 -1.26 -4.01 135.00 132.74 3gkf n PRO 64 Ca 0.00 -2.61 -0.34 0.00 -2.02 0.00 0.00 63.50 58.53 3gkf n PRO 64 Cb 0.00 -3.35 0.12 0.00 -0.02 0.00 0.00 33.50 30.25 3gkf n PRO 64 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3gkf n THR 65 N 6.19 1.22 -1.77 3.45 -1.04 -1.26 -4.66 114.28 116.40 3gkf n THR 65 Ca 0.49 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.87 3gkf n THR 65 Cb 0.43 -0.93 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 3gkf n THR 65 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3gkf s THR 66 N -2.21 2.27 0.00 12.58 2.01 -1.26 -1.09 115.64 127.94 3gkf s THR 66 Ca 0.67 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.79 3gkf s THR 66 Cb -0.28 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3gkf s THR 66 CO 0.57 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3gkf n GLY 67 N 3.98 2.09 0.73 4.40 0.00 -1.26 -4.77 105.19 110.36 3gkf n GLY 67 Ca 0.16 0.00 0.07 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 3.24 -0.08 0.99 4.77 -0.25 -4.67 117.00 121.00 3gkf n LEU 68 Ca 0.00 -2.30 -0.06 0.00 -0.03 0.00 0.00 56.01 53.61 3gkf n LEU 68 Cb 0.00 -0.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3gkf n LEU 68 CO 0.00 0.72 0.79 -0.33 -1.33 0.00 0.00 177.39 177.24 3gkf h GLU 69 N 2.00 -0.02 -3.14 3.23 3.07 -1.78 -3.33 114.58 114.61 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 0.95 0.00 -0.40 0.00 -0.84 0.00 0.00 28.75 28.47 3gkf h GLU 69 CO 0.07 -0.01 -0.72 1.03 -1.40 0.00 0.00 179.01 177.97 3gkf s ARG 70 N -6.20 1.35 0.33 2.33 1.81 -1.26 -4.95 118.95 112.36 3gkf s ARG 70 Ca -0.14 -2.02 0.06 0.00 -1.72 0.00 0.00 55.73 51.92 3gkf s ARG 70 Cb 0.13 -2.48 0.73 0.00 -0.45 0.00 0.00 34.95 32.88 3gkf s ARG 70 CO 0.70 -1.13 1.86 0.82 -0.68 0.00 0.00 175.30 176.87 3gkf h ILE 71 N 5.42 0.87 0.00 1.52 1.08 -1.89 -0.57 117.51 123.95 3gkf h ILE 71 Ca -0.03 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.13 3gkf h ILE 71 Cb 0.93 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3gkf h ILE 71 CO 0.51 0.14 -0.17 -2.24 -0.69 0.00 0.00 178.15 175.71 3gkf h ASP 72 N 0.79 0.00 0.00 1.72 2.03 -1.92 -1.03 116.42 118.01 3gkf h ASP 72 Ca 0.46 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 56.60 3gkf h ASP 72 Cb 0.63 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.10 3gkf h ASP 72 CO -0.22 0.17 -1.37 -0.38 -1.03 0.00 0.00 179.24 176.41 3gkf n ILE 73 N -3.62 1.25 0.04 4.15 5.41 -0.93 -4.24 119.36 121.42 3gkf n ILE 73 Ca -0.01 -0.02 -0.12 0.00 1.00 0.00 0.00 62.75 63.60 3gkf n ILE 73 Cb 0.30 -1.95 -0.08 0.00 -0.71 0.00 0.00 39.64 37.21 3gkf n ILE 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3gkf h ASN 74 N -0.69 -0.03 0.38 4.38 -1.24 -1.19 -3.36 115.58 113.82 3gkf h ASN 74 Ca -0.24 -0.10 -0.26 0.00 0.71 0.00 0.00 56.30 56.41 3gkf h ASN 74 Cb 1.05 0.01 -0.05 0.00 0.73 0.00 0.00 38.32 40.06 3gkf h ASN 74 CO -0.14 0.08 -1.84 -0.38 -1.29 0.00 0.00 177.43 173.86 3gkf n ILE 75 N -5.05 1.33 -0.29 2.57 2.08 -0.51 -4.37 119.36 115.12 3gkf n ILE 75 Ca -0.08 -0.77 0.11 0.00 0.56 0.00 0.00 62.75 62.57 3gkf n ILE 75 Cb 0.09 -0.73 0.25 0.00 -0.75 0.00 0.00 39.64 38.50 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 1.18 1.16 0.00 -1.39 0.00 -1.39 0.55 119.26 119.36 3gkf h ALA 76 Ca -0.31 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3gkf h ALA 76 Cb 1.90 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 20.01 3gkf h ALA 76 CO 0.05 -0.43 -0.03 -1.35 0.00 0.00 0.00 179.25 177.49 3gkf h PRO 77 N 0.21 0.00 0.00 0.00 0.10 -1.76 -3.13 132.00 127.42 3gkf h PRO 77 Ca 0.51 0.00 -0.02 0.00 0.10 0.00 0.00 66.00 66.60 3gkf h PRO 77 Cb 0.99 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 32.08 3gkf h PRO 77 CO -0.63 0.03 -0.24 -0.07 0.10 0.00 0.00 178.00 177.18 3gkf h LEU 78 N 0.00 0.00 -0.42 2.35 3.38 -0.13 -3.38 115.31 117.10 3gkf h LEU 78 Ca -0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3gkf h LEU 78 Cb 0.18 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3gkf h LEU 78 CO 0.00 0.07 0.08 -0.26 0.09 0.00 0.00 178.44 178.42 3gkf h PHE 79 N 0.00 0.13 0.00 1.13 0.04 -1.50 -2.26 116.94 114.47 3gkf h PHE 79 Ca -0.00 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3gkf h PHE 79 Cb 1.06 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 3gkf h PHE 79 CO 0.00 0.00 -0.00 1.05 -0.60 0.00 0.00 178.31 178.76 3gkf h GLU 80 N 0.21 0.00 -0.67 1.51 4.11 -1.83 -0.32 114.58 117.59 3gkf h GLU 80 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 3gkf h GLU 80 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3gkf h GLU 80 CO -0.28 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.53 3gkf n HIS 81 N -3.20 1.51 -4.23 2.06 8.25 -0.85 -4.89 115.22 113.87 3gkf n HIS 81 Ca -0.03 -0.60 -0.30 0.00 -0.26 0.00 0.00 57.72 56.53 3gkf n HIS 81 Cb 0.09 -0.24 -0.09 0.00 1.12 0.00 0.00 29.99 30.86 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 -1.83 3.04 0.05 -1.41 0.00 -0.13 -4.89 121.76 116.58 3gkf s ALA 82 Ca 0.52 -1.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.13 3gkf s ALA 82 Cb 0.33 -0.99 -0.24 0.00 0.00 0.00 0.00 23.12 22.23 3gkf s ALA 82 CO 0.25 0.65 1.15 -0.44 0.00 0.00 0.00 175.76 177.38 3gkf h ASP 83 N 3.67 0.76 -4.20 0.00 3.32 -1.15 -3.47 116.42 115.34 3gkf h ASP 83 Ca -0.48 -0.75 -0.16 0.00 0.02 0.00 0.00 57.03 55.66 3gkf h ASP 83 Cb 1.17 -0.23 -0.24 0.00 0.22 0.00 0.00 39.33 40.24 3gkf h ASP 83 CO 0.54 1.41 -0.44 0.54 -1.72 0.00 0.00 179.24 179.57 3gkf s VAL 84 N -3.26 0.03 0.09 -1.35 0.11 -1.07 -4.06 120.40 110.87 3gkf s VAL 84 Ca -0.11 -0.21 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 3gkf s VAL 84 Cb 0.05 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 3gkf s VAL 84 CO 0.88 -0.11 0.15 -0.76 -3.33 0.00 0.00 175.10 171.93 3gkf s LEU 85 N -0.38 4.07 -0.10 2.54 1.43 0.41 -1.09 118.68 125.57 3gkf s LEU 85 Ca -0.05 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 3gkf s LEU 85 Cb -0.03 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.51 3gkf s LEU 85 CO 0.01 0.15 0.02 -0.32 0.23 0.00 0.00 176.35 176.44 3gkf s MET 86 N -2.57 0.56 0.34 1.70 -2.45 -0.84 -0.40 119.30 115.64 3gkf s MET 86 Ca 0.32 0.01 -0.06 0.00 -1.25 0.00 0.00 55.69 54.71 3gkf s MET 86 Cb -0.12 -1.22 0.02 0.00 1.25 0.00 0.00 34.83 34.76 3gkf s MET 86 CO 0.25 -0.39 0.54 0.00 1.05 0.00 0.00 175.02 176.48 3gkf s THR 88 N -2.58 2.98 0.26 0.00 -4.23 -1.26 -1.50 115.64 109.31 3gkf s THR 88 Ca 0.23 0.11 0.11 0.00 -1.18 0.00 0.00 61.69 60.96 3gkf s THR 88 Cb -0.02 -3.28 -0.02 0.00 1.34 0.00 0.00 72.50 70.52 3gkf s THR 88 CO 0.16 -0.33 1.61 0.08 -0.54 0.00 0.00 174.62 175.60 3gkf h ARG 89 N -0.61 0.00 0.15 3.99 0.11 -1.97 -1.07 114.38 114.97 3gkf h ARG 89 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3gkf h ARG 89 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3gkf h ARG 89 CO 0.63 0.61 -0.07 0.78 0.10 0.00 0.00 179.97 182.02 3gkf h GLY 90 N 1.90 -0.20 0.98 0.08 0.00 -1.97 -2.02 103.07 101.83 3gkf h GLY 90 Ca -0.01 0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 3gkf h GLY 90 CO 0.08 -0.07 0.05 -2.22 0.00 0.00 0.00 176.54 174.38 3gkf h ILE 91 N -0.39 1.25 -0.45 2.60 1.08 -1.93 -2.51 117.51 117.17 3gkf h ILE 91 Ca -0.02 -0.97 0.05 0.00 -0.39 0.00 0.00 64.86 63.54 3gkf h ILE 91 Cb 0.31 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 34.96 3gkf h ILE 91 CO 0.03 0.34 0.18 0.25 -0.69 0.00 0.00 178.15 178.26 3gkf h LEU 92 N 0.68 0.21 -0.35 1.44 5.85 -1.13 -0.10 115.31 121.90 3gkf h LEU 92 Ca 0.14 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 3gkf h LEU 92 Cb 0.43 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3gkf h LEU 92 CO 0.01 0.15 -0.22 0.03 -0.34 0.00 0.00 178.44 178.08 3gkf h ARG 93 N 0.36 0.77 -0.05 1.25 3.08 -1.22 -2.94 114.38 115.63 3gkf h ARG 93 Ca 0.21 -0.36 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 3gkf h ARG 93 Cb 0.18 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.23 3gkf h ARG 93 CO -0.20 0.98 -0.56 0.66 -1.07 0.00 0.00 179.97 179.79 3gkf h SER 94 N 0.56 0.57 0.00 7.04 4.64 -1.10 -3.42 113.55 121.84 3gkf h SER 94 Ca 0.07 -0.70 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 3gkf h SER 94 Cb 0.78 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3gkf h SER 94 CO 0.06 1.19 0.00 1.33 -0.87 0.00 0.00 176.83 178.54 3gkf n VAL 95 N -4.22 0.06 -3.54 0.95 0.24 -0.08 -4.96 118.33 106.78 3gkf n VAL 95 Ca -0.09 -0.20 -0.38 0.00 -2.04 0.00 0.00 64.34 61.63 3gkf n VAL 95 Cb 0.64 1.51 -0.10 0.00 -1.47 0.00 0.00 33.84 34.42 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 -0.06 5.28 0.03 3.34 1.01 -1.11 -4.70 120.40 124.19 3gkf s VAL 96 Ca 0.00 0.31 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 3gkf s VAL 96 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 3gkf s VAL 96 CO 0.00 0.24 1.25 -2.84 0.00 0.00 0.00 175.10 173.76 3gkf s PRO 97 N 1.69 4.38 0.45 2.72 0.02 -1.26 -4.72 135.00 138.27 3gkf s PRO 97 Ca 0.10 1.81 0.22 0.00 0.02 0.00 0.00 61.00 63.15 3gkf s PRO 97 Cb -0.15 -3.42 1.20 0.00 0.02 0.00 0.00 34.50 32.14 3gkf s PRO 97 CO 0.09 -0.37 1.85 -1.35 -0.33 0.00 0.00 177.00 176.89 3gkf h PRO 98 N 7.11 0.29 0.00 5.54 0.11 -1.95 0.35 132.00 143.45 3gkf h PRO 98 Ca -0.39 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gkf h PRO 98 Cb 1.20 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gkf h PRO 98 CO 0.85 0.19 0.00 0.00 -0.21 0.00 0.00 178.00 178.83 3gkf n ALA 99 N -2.56 2.12 0.25 -0.75 0.00 -1.26 -2.52 120.51 115.78 3gkf n ALA 99 Ca 0.20 -0.10 0.18 0.00 0.00 0.00 0.00 53.44 53.72 3gkf n ALA 99 Cb 0.80 -1.33 0.89 0.00 0.00 0.00 0.00 19.45 19.81 3gkf n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gkf h THR 100 N 0.00 0.25 -6.71 0.00 2.02 -0.67 -3.44 112.91 104.35 3gkf h THR 100 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.63 3gkf h THR 100 Cb 0.14 0.80 -0.19 0.00 -1.74 0.00 0.00 68.15 67.15 3gkf h THR 100 CO 0.00 0.00 -0.83 -3.20 0.37 0.00 0.00 175.52 171.86 3gkf n ASN 101 N -3.41 -3.16 -4.36 4.18 5.15 -1.05 -4.89 115.26 107.72 3gkf n ASN 101 Ca 0.00 -1.00 -0.30 0.00 -0.60 0.00 0.00 54.58 52.69 3gkf n ASN 101 Cb 0.33 -2.82 -0.14 0.00 -0.53 0.00 0.00 39.78 36.62 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 -6.90 1.64 0.34 1.20 6.06 -1.26 -5.11 118.95 114.92 3gkf s ARG 102 Ca 0.68 -1.19 -0.28 0.00 -2.50 0.00 0.00 55.73 52.44 3gkf s ARG 102 Cb -0.37 -1.93 -0.10 0.00 0.06 0.00 0.00 34.95 32.61 3gkf s ARG 102 CO 0.92 0.48 1.32 -2.14 -2.50 0.00 0.00 175.30 173.39 3gkf s PRO 103 N -1.54 4.31 0.06 5.12 0.02 -1.26 -4.82 135.00 136.90 3gkf s PRO 103 Ca 0.12 2.25 0.08 0.00 0.02 0.00 0.00 61.00 63.48 3gkf s PRO 103 Cb -0.10 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.34 3gkf s PRO 103 CO 0.03 -0.24 -0.22 0.14 -0.33 0.00 0.00 177.00 176.39 3gkf s VAL 104 N -1.15 2.53 -0.34 3.83 -7.23 -1.26 -0.44 120.40 116.34 3gkf s VAL 104 Ca 0.50 -1.36 -0.08 0.00 -1.81 0.00 0.00 61.98 59.23 3gkf s VAL 104 Cb -0.40 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.51 3gkf s VAL 104 CO 0.54 0.29 0.13 -0.69 -0.31 0.00 0.00 175.10 175.05 3gkf s VAL 105 N -0.93 4.03 0.08 1.32 1.01 0.47 -1.14 120.40 125.23 3gkf s VAL 105 Ca 0.14 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 3gkf s VAL 105 Cb -0.10 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 3gkf s VAL 105 CO 0.05 -0.17 1.17 -0.76 0.00 0.00 0.00 175.10 175.39 3gkf s LEU 106 N 1.46 4.39 -0.13 3.92 1.43 -0.51 -3.30 118.68 125.93 3gkf s LEU 106 Ca -0.00 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 54.82 3gkf s LEU 106 Cb -0.19 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.43 3gkf s LEU 106 CO 0.04 -0.42 1.13 -0.60 0.23 0.00 0.00 176.35 176.73 3gkf s ARG 107 N 0.79 4.33 -0.12 1.70 6.06 -0.56 0.09 118.95 131.23 3gkf s ARG 107 Ca 0.57 1.53 0.18 0.00 -2.50 0.00 0.00 55.73 55.51 3gkf s ARG 107 Cb -0.29 -3.61 0.28 0.00 0.06 0.00 0.00 34.95 31.38 3gkf s ARG 107 CO 0.30 -0.50 1.14 0.00 -2.50 0.00 0.00 175.30 173.74 3gkf n ALA 108 N 5.67 2.25 -2.46 6.12 0.00 0.51 -4.55 120.51 128.04 3gkf n ALA 108 Ca 0.11 -2.55 -0.23 0.00 0.00 0.00 0.00 53.44 50.77 3gkf n ALA 108 Cb 0.47 -0.39 -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 -2.78 3.33 0.00 0.00 1.04 -1.22 0.15 113.70 114.22 3gkf s SER 109 Ca 0.30 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.64 3gkf s SER 109 Cb 0.27 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3gkf s SER 109 CO 0.03 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3gkf n GLY 110 N -0.62 -0.62 1.88 7.32 0.00 -0.55 -4.61 105.19 107.98 3gkf n GLY 110 Ca -0.06 -0.75 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 -2.51 4.61 0.00 -1.26 -0.42 120.51 120.94 3gkf n ALA 111 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3gkf n ALA 111 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 3gkf n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gkf s ASN 112 N -2.03 5.29 0.18 0.00 4.22 -1.23 -4.78 114.94 116.58 3gkf s ASN 112 Ca 0.00 -0.49 0.03 0.00 -2.14 0.00 0.00 52.86 50.25 3gkf s ASN 112 Cb 0.00 -0.98 -0.05 0.00 1.28 0.00 0.00 41.25 41.51 3gkf s ASN 112 CO 0.00 -0.35 -0.02 -0.44 -2.04 0.00 0.00 177.10 174.25 3gkf s SER 113 N -3.99 1.46 0.00 3.54 0.01 -1.26 -4.45 113.70 109.00 3gkf s SER 113 Ca 0.41 -1.15 0.21 0.00 1.31 0.00 0.00 55.95 56.73 3gkf s SER 113 Cb -0.06 0.07 1.10 0.00 0.21 0.00 0.00 66.02 67.34 3gkf s SER 113 CO 0.26 -0.51 1.65 2.30 0.41 0.00 0.00 173.24 177.36 3gkf n ILE 114 N -0.26 0.28 1.24 1.44 -5.35 -0.73 -2.88 119.36 113.09 3gkf n ILE 114 Ca -0.07 0.07 0.13 0.00 -0.27 0.00 0.00 62.75 62.61 3gkf n ILE 114 Cb 0.63 -0.73 0.38 0.00 -1.74 0.00 0.00 39.64 38.18 3gkf n ILE 114 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3gkf n LEU 115 N -1.22 0.98 0.00 7.28 4.77 -1.26 -4.96 117.00 122.59 3gkf n LEU 115 Ca 0.11 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3gkf n LEU 115 Cb 0.14 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3gkf n LEU 115 CO 0.15 0.18 0.00 0.00 -1.33 0.00 0.00 177.39 176.39 3gkf n ALA 116 N -0.70 0.00 -1.71 -1.18 0.00 -1.14 -5.10 120.51 110.68 3gkf n ALA 116 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 3gkf n ALA 116 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 2.80 -0.01 0.00 4.07 -1.26 -4.75 120.64 121.48 3gkf n GLU 117 Ca 0.00 1.01 -0.07 0.00 -0.06 0.00 0.00 57.16 58.05 3gkf n GLU 117 Cb 0.00 -2.88 0.12 0.00 -0.06 0.00 0.00 31.44 28.61 3gkf n GLU 117 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3gkf h LEU 118 N 7.53 0.60 0.00 4.31 5.85 -1.96 -2.96 115.31 128.67 3gkf h LEU 118 Ca -0.44 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.02 3gkf h LEU 118 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3gkf h LEU 118 CO 0.95 0.91 0.00 -1.54 -0.34 0.00 0.00 178.44 178.43 3gkf n SER 119 N -4.05 0.00 -4.12 1.25 3.41 -1.26 -4.56 113.62 104.28 3gkf n SER 119 Ca -0.01 -0.86 -0.42 0.00 -0.26 0.00 0.00 58.87 57.31 3gkf n SER 119 Cb 0.49 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3gkf n SER 119 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3gkf n ASN 120 N -1.04 4.28 -4.63 4.04 5.15 -1.12 -4.56 115.26 117.39 3gkf n ASN 120 Ca 0.22 -2.87 -0.28 0.00 -0.60 0.00 0.00 54.58 51.05 3gkf n ASN 120 Cb 0.12 -1.69 -0.09 0.00 -0.53 0.00 0.00 39.78 37.60 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 3.79 2.31 0.29 1.20 2.02 -1.26 -3.54 118.70 123.51 3gkf s GLU 121 Ca 0.51 -1.04 0.03 0.00 0.02 0.00 0.00 54.97 54.49 3gkf s GLU 121 Cb 0.09 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.91 3gkf s GLU 121 CO -0.00 0.49 0.07 0.00 0.02 0.00 0.00 175.26 175.83 3gkf s ALA 122 N -1.47 2.07 0.17 5.21 0.00 0.45 -4.74 121.76 123.44 3gkf s ALA 122 Ca 0.25 -1.96 -0.31 0.00 0.00 0.00 0.00 51.96 49.94 3gkf s ALA 122 Cb -0.10 0.79 -0.09 0.00 0.00 0.00 0.00 23.12 23.72 3gkf s ALA 122 CO 0.17 -0.36 1.36 0.08 0.00 0.00 0.00 175.76 177.00 3gkf s VAL 123 N -3.48 3.19 -1.91 0.00 1.01 -1.26 -1.49 120.40 116.45 3gkf s VAL 123 Ca 0.36 0.92 0.16 0.00 0.00 0.00 0.00 61.98 63.43 3gkf s VAL 123 Cb 0.08 -3.59 0.18 0.00 0.00 0.00 0.00 36.38 33.05 3gkf s VAL 123 CO 0.14 0.11 1.07 0.00 0.00 0.00 0.00 175.10 176.42 3gkf n ALA 124 N 3.13 2.44 -3.50 5.51 0.00 0.39 -4.81 120.51 123.67 3gkf n ALA 124 Ca 0.08 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 3gkf n ALA 124 Cb 0.42 -0.56 -0.04 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.29 -0.50 0.45 0.00 0.05 -1.25 -4.92 118.68 111.21 3gkf s LEU 125 Ca 0.21 0.28 -0.21 0.00 0.05 0.00 0.00 54.13 54.47 3gkf s LEU 125 Cb 0.14 2.28 -0.10 0.00 -2.05 0.00 0.00 46.19 46.46 3gkf s LEU 125 CO 0.21 -0.65 0.99 -0.94 -0.55 0.00 0.00 176.35 175.41 3gkf s SER 126 N -1.91 6.68 0.46 1.48 1.04 -1.26 -4.92 113.70 115.27 3gkf s SER 126 Ca -0.02 1.80 0.12 0.00 0.48 0.00 0.00 55.95 58.33 3gkf s SER 126 Cb -0.01 -2.55 1.05 0.00 0.10 0.00 0.00 66.02 64.62 3gkf s SER 126 CO -0.03 -0.54 2.09 -0.03 0.98 0.00 0.00 173.24 175.71 3gkf h MET 127 N 1.79 0.30 -0.69 4.02 4.05 -1.97 -0.80 114.93 121.63 3gkf h MET 127 Ca -0.49 -0.02 0.13 0.00 -0.28 0.00 0.00 59.70 59.05 3gkf h MET 127 Cb 1.20 -0.07 -0.13 0.00 -0.80 0.00 0.00 31.60 31.80 3gkf h MET 127 CO 0.60 0.20 -0.21 0.22 0.23 0.00 0.00 176.91 177.95 3gkf h ASP 128 N 0.31 -0.75 0.52 1.39 3.58 -1.97 0.21 116.42 119.70 3gkf h ASP 128 Ca 0.10 0.22 -0.21 0.00 0.42 0.00 0.00 57.03 57.56 3gkf h ASP 128 Cb 0.04 0.46 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 3gkf h ASP 128 CO -0.02 -0.25 -0.91 -0.78 -2.88 0.00 0.00 179.24 174.40 3gkf h ASP 129 N -0.03 0.34 -0.90 2.28 3.58 -1.55 -1.40 116.42 118.75 3gkf h ASP 129 Ca 0.32 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 3gkf h ASP 129 Cb 0.52 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 3gkf h ASP 129 CO -0.72 1.09 0.49 0.00 -2.88 0.00 0.00 179.24 177.22 3gkf h ALA 130 N 0.89 1.17 -0.30 -0.78 0.00 -0.60 0.17 119.26 119.82 3gkf h ALA 130 Ca -0.06 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 3gkf h ALA 130 Cb 1.55 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3gkf h ALA 130 CO 0.14 0.66 -0.40 0.28 0.00 0.00 0.00 179.25 179.94 3gkf h VAL 131 N 1.26 1.29 0.00 0.00 2.07 -0.56 -2.00 116.25 118.30 3gkf h VAL 131 Ca 0.32 -1.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 3gkf h VAL 131 Cb 0.03 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3gkf h VAL 131 CO -0.05 0.51 -0.18 -0.09 0.02 0.00 0.00 177.57 177.78 3gkf h ARG 132 N 0.59 0.00 -0.54 1.57 2.43 -0.03 -2.23 114.38 116.17 3gkf h ARG 132 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3gkf h ARG 132 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 3gkf h ARG 132 CO 0.09 0.18 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 3gkf n LEU 133 N -4.16 2.89 -3.70 3.80 4.77 0.47 -4.95 117.00 116.12 3gkf n LEU 133 Ca -0.02 -1.45 -0.24 0.00 -0.03 0.00 0.00 56.01 54.27 3gkf n LEU 133 Cb 0.25 -0.37 0.05 0.00 -2.33 0.00 0.00 43.42 41.02 3gkf n LEU 133 CO 0.35 0.69 0.06 -3.20 -1.33 0.00 0.00 177.39 173.95 3gkf n ASN 134 N 0.99 -3.07 -4.82 -1.43 5.15 -0.84 -4.95 115.26 106.29 3gkf n ASN 134 Ca 0.18 -0.74 -0.32 0.00 -0.60 0.00 0.00 54.58 53.10 3gkf n ASN 134 Cb 0.47 -4.32 -0.00 0.00 -0.53 0.00 0.00 39.78 35.40 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 -3.92 6.11 0.12 1.20 0.01 -0.79 -4.76 113.70 111.67 3gkf s SER 135 Ca 0.27 1.69 0.20 0.00 1.31 0.00 0.00 55.95 59.42 3gkf s SER 135 Cb -0.13 -2.52 -0.09 0.00 0.21 0.00 0.00 66.02 63.49 3gkf s SER 135 CO 0.79 -0.94 0.88 0.00 0.41 0.00 0.00 173.24 174.38 3gkf s ALA 137 N -3.17 -1.59 0.12 0.00 0.00 -1.22 -4.11 121.76 111.79 3gkf s ALA 137 Ca -0.02 0.23 0.10 0.00 0.00 0.00 0.00 51.96 52.27 3gkf s ALA 137 Cb 0.09 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 3gkf s ALA 137 CO 0.81 -0.95 -0.25 0.14 0.00 0.00 0.00 175.76 175.50 3gkf s VAL 138 N -3.43 2.35 0.04 0.00 -7.23 -0.61 -1.42 120.40 110.10 3gkf s VAL 138 Ca 0.10 -1.67 0.05 0.00 -1.81 0.00 0.00 61.98 58.64 3gkf s VAL 138 Cb -0.02 -2.03 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 3gkf s VAL 138 CO -0.00 0.12 -0.14 0.00 -0.31 0.00 0.00 175.10 174.77 3gkf s ALA 139 N -1.04 1.17 0.11 1.32 0.00 0.11 -0.01 121.76 123.42 3gkf s ALA 139 Ca 0.14 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 3gkf s ALA 139 Cb -0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.83 3gkf s ALA 139 CO 0.06 0.22 0.21 0.00 0.00 0.00 0.00 175.76 176.26 3gkf s ALA 140 N -0.84 -0.15 -0.05 0.00 0.00 -0.42 0.19 121.76 120.49 3gkf s ALA 140 Ca 0.02 -0.70 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 3gkf s ALA 140 Cb -0.08 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.59 3gkf s ALA 140 CO 0.01 -0.55 0.23 -0.65 0.00 0.00 0.00 175.76 174.80 3gkf s GLN 141 N -3.89 3.56 -0.04 0.00 -1.52 -1.26 -0.84 119.66 115.66 3gkf s GLN 141 Ca 0.09 -0.05 0.05 0.00 -1.95 0.00 0.00 55.36 53.50 3gkf s GLN 141 Cb 0.04 -3.15 -0.03 0.00 -0.22 0.00 0.00 33.01 29.66 3gkf s GLN 141 CO -0.08 0.71 -0.17 0.54 -0.25 0.00 0.00 175.29 176.05 3gkf s VAL 142 N -1.15 2.87 -0.62 1.09 0.11 0.10 -4.77 120.40 118.04 3gkf s VAL 142 Ca 0.22 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.50 3gkf s VAL 142 Cb -0.13 -2.11 0.25 0.00 -1.53 0.00 0.00 36.38 32.86 3gkf s VAL 142 CO 0.11 0.57 0.74 -1.22 -3.33 0.00 0.00 175.10 171.97 3gkf n TYR 143 N 2.26 3.37 -1.69 1.54 4.01 -1.26 -1.18 117.16 124.21 3gkf n TYR 143 Ca -0.17 -4.11 -0.43 0.00 -0.16 0.00 0.00 57.90 53.03 3gkf n TYR 143 Cb 0.52 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 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 0.83 1.55 0.00 -0.72 2.08 -1.26 -1.80 119.36 120.04 3gkf n ILE 144 Ca 0.29 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 63.22 3gkf n ILE 144 Cb 0.42 -1.57 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 1.38 2.76 3.94 7.39 0.00 -1.26 -4.94 105.19 114.46 3gkf n GLY 145 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.97 4.07 0.31 1.61 0.01 -0.74 -4.98 113.70 112.00 3gkf s SER 146 Ca 0.00 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.54 3gkf s SER 146 Cb 0.00 -0.62 0.50 0.00 0.21 0.00 0.00 66.02 66.11 3gkf s SER 146 CO 0.00 -2.10 1.85 -0.08 0.41 0.00 0.00 173.24 173.32 3gkf h GLU 147 N -1.02 0.68 -0.88 12.44 4.81 -1.94 -3.03 114.58 125.64 3gkf h GLU 147 Ca -0.43 -0.14 -0.60 0.00 -0.13 0.00 0.00 59.36 58.06 3gkf h GLU 147 Cb 1.28 -0.10 -0.33 0.00 0.63 0.00 0.00 28.75 30.23 3gkf h GLU 147 CO 0.49 0.65 0.22 0.66 -0.73 0.00 0.00 179.01 180.29 3gkf n TYR 148 N -4.28 2.96 0.08 0.92 4.01 -1.26 -4.72 117.16 114.86 3gkf n TYR 148 Ca 0.03 -2.64 0.01 0.00 -0.16 0.00 0.00 57.90 55.13 3gkf n TYR 148 Cb 0.23 -1.00 0.33 0.00 -0.31 0.00 0.00 39.34 38.59 3gkf n TYR 148 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3gkf h GLU 149 N 1.99 0.33 0.43 -0.72 4.81 -1.67 -2.17 114.58 117.57 3gkf h GLU 149 Ca 0.51 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.63 3gkf h GLU 149 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3gkf h GLU 149 CO 1.23 0.48 -0.21 1.25 -0.73 0.00 0.00 179.01 181.03 3gkf h HIS 150 N 0.31 -0.54 -1.00 0.92 2.76 -1.88 -2.52 115.15 113.21 3gkf h HIS 150 Ca 0.06 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.39 3gkf h HIS 150 Cb 0.46 0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.49 3gkf h HIS 150 CO 0.01 -0.22 0.61 0.37 -1.30 0.00 0.00 177.93 177.40 3gkf h GLN 151 N -0.85 0.79 -0.82 5.26 5.75 -1.93 -1.04 115.11 122.26 3gkf h GLN 151 Ca -0.06 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.39 3gkf h GLN 151 Cb 0.56 -0.18 -0.04 0.00 1.07 0.00 0.00 27.48 28.89 3gkf h GLN 151 CO 0.10 0.52 0.48 0.66 -2.65 0.00 0.00 178.83 177.94 3gkf h SER 152 N 0.81 1.00 -0.10 -0.69 4.64 -1.14 0.12 113.55 118.19 3gkf h SER 152 Ca 0.56 -0.07 -0.15 0.00 -0.47 0.00 0.00 61.79 61.66 3gkf h SER 152 Cb 0.81 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3gkf h SER 152 CO -0.36 0.78 -0.53 0.40 -0.87 0.00 0.00 176.83 176.25 3gkf h ILE 153 N 1.13 1.36 -1.01 0.95 2.04 -0.91 -2.33 117.51 118.75 3gkf h ILE 153 Ca 0.29 -1.85 0.24 0.00 1.00 0.00 0.00 64.86 64.54 3gkf h ILE 153 Cb -0.02 2.21 -0.10 0.00 -0.74 0.00 0.00 36.82 38.16 3gkf h ILE 153 CO -0.05 0.56 0.63 0.11 0.00 0.00 0.00 178.15 179.40 3gkf h LYS 154 N 0.13 0.50 -0.04 2.37 1.57 -0.91 0.97 116.57 121.16 3gkf h LYS 154 Ca -0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3gkf h LYS 154 Cb 1.17 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 33.37 3gkf h LYS 154 CO 0.11 0.33 0.03 -0.91 -0.57 0.00 0.00 179.45 178.43 3gkf h ASN 155 N 0.51 0.05 -0.32 0.86 2.35 -0.24 -0.44 115.58 118.35 3gkf h ASN 155 Ca 0.59 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 56.32 3gkf h ASN 155 Cb 1.28 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.61 3gkf h ASN 155 CO -0.34 0.08 0.13 0.40 -1.65 0.00 0.00 177.43 176.05 3gkf h ILE 156 N 0.02 0.94 -0.31 2.81 1.08 -0.64 -1.61 117.51 119.80 3gkf h ILE 156 Ca 0.01 -0.10 0.06 0.00 -0.39 0.00 0.00 64.86 64.45 3gkf h ILE 156 Cb 0.04 0.64 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 3gkf h ILE 156 CO -0.00 0.05 -0.06 0.40 -0.69 0.00 0.00 178.15 177.85 3gkf h ILE 157 N 0.28 0.71 -0.44 -0.67 2.04 -0.64 0.33 117.51 119.12 3gkf h ILE 157 Ca 0.14 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 3gkf h ILE 157 Cb 0.08 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 3gkf h ILE 157 CO -0.12 0.00 0.10 -0.61 0.00 0.00 0.00 178.15 177.52 3gkf h GLN 158 N 0.02 0.66 -0.20 2.37 4.15 -0.64 0.12 115.11 121.59 3gkf h GLN 158 Ca 0.15 -0.12 -0.17 0.00 0.77 0.00 0.00 58.65 59.28 3gkf h GLN 158 Cb 0.22 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3gkf h GLN 158 CO -0.30 0.61 -0.58 -0.07 -1.93 0.00 0.00 178.83 176.55 3gkf h LEU 159 N 0.64 0.70 -0.36 -2.39 3.38 -0.21 -2.20 115.31 114.88 3gkf h LEU 159 Ca 0.15 -0.39 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 3gkf h LEU 159 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3gkf h LEU 159 CO -0.00 1.12 -0.18 0.58 0.09 0.00 0.00 178.44 180.06 3gkf h VAL 160 N 0.47 1.29 -0.80 1.22 2.07 -0.41 0.16 116.25 120.25 3gkf h VAL 160 Ca 0.00 -1.30 0.11 0.00 0.82 0.00 0.00 66.70 66.34 3gkf h VAL 160 Cb 1.14 1.37 -0.08 0.00 -1.52 0.00 0.00 31.29 32.20 3gkf h VAL 160 CO 0.11 0.43 0.42 0.44 0.02 0.00 0.00 177.57 178.99 3gkf h ASP 161 N 0.53 0.54 0.19 0.57 3.32 -0.62 -0.72 116.42 120.23 3gkf h ASP 161 Ca 0.08 0.07 -0.24 0.00 0.02 0.00 0.00 57.03 56.95 3gkf h ASP 161 Cb 0.72 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.26 3gkf h ASP 161 CO 0.05 0.28 -0.99 0.00 -1.72 0.00 0.00 179.24 176.87 3gkf h ALA 162 N 1.49 0.26 -0.17 3.45 0.00 -1.20 -3.23 119.26 119.86 3gkf h ALA 162 Ca 0.41 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.48 3gkf h ALA 162 Cb 0.48 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3gkf h ALA 162 CO -0.30 0.76 -0.46 0.78 0.00 0.00 0.00 179.25 180.03 3gkf h GLY 163 N 0.87 0.47 1.91 0.00 0.00 -0.13 -2.64 103.07 103.55 3gkf h GLY 163 Ca -0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.66 3gkf h GLY 163 CO 0.18 0.44 -0.33 -0.33 0.00 0.00 0.00 176.54 176.50 3gkf h MET 164 N 0.35 0.11 0.00 4.80 2.07 -1.19 0.77 114.93 121.82 3gkf h MET 164 Ca 0.02 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.60 3gkf h MET 164 Cb 0.94 -0.01 -0.00 0.00 -1.87 0.00 0.00 31.60 30.66 3gkf h MET 164 CO 0.08 0.43 -0.09 0.87 1.07 0.00 0.00 176.91 179.27 3gkf h LYS 165 N 0.10 0.00 0.00 1.72 1.57 -1.48 -3.34 116.57 115.13 3gkf h LYS 165 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gkf h LYS 165 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3gkf h LYS 165 CO 0.05 0.09 0.00 1.55 -0.57 0.00 0.00 179.45 180.56 3gkf n VAL 166 N -3.67 0.00 -0.40 0.50 3.14 0.03 -5.01 118.33 112.92 3gkf n VAL 166 Ca -0.02 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 3gkf n VAL 166 Cb 0.20 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.15 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 0.34 0.77 3.54 7.55 0.00 0.25 -4.97 105.19 112.66 3gkf n GLY 167 Ca 0.00 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 3gkf n GLY 167 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gkf s MET 168 N -0.74 3.64 0.55 1.61 0.00 -0.40 -3.90 119.30 120.06 3gkf s MET 168 Ca 0.00 -0.54 -0.20 0.00 0.00 0.00 0.00 55.69 54.95 3gkf s MET 168 Cb 0.00 -3.73 -0.05 0.00 0.00 0.00 0.00 34.83 31.05 3gkf s MET 168 CO 0.00 -0.35 1.18 -2.14 0.00 0.00 0.00 175.02 173.71 3gkf s PRO 169 N 1.72 3.25 -0.10 4.11 0.02 -1.26 -4.34 135.00 138.41 3gkf s PRO 169 Ca 0.06 1.75 0.02 0.00 0.02 0.00 0.00 61.00 62.85 3gkf s PRO 169 Cb -0.17 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 3gkf s PRO 169 CO 0.10 -0.96 -0.15 0.99 -0.33 0.00 0.00 177.00 176.65 3gkf s THR 170 N -1.65 2.91 -0.22 0.99 2.01 -1.26 -1.57 115.64 116.86 3gkf s THR 170 Ca 0.73 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.93 3gkf s THR 170 Cb -0.28 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 3gkf s THR 170 CO 0.31 0.55 0.05 -0.32 -0.69 0.00 0.00 174.62 174.52 3gkf s MET 171 N 0.02 3.72 -0.22 4.92 1.75 0.99 -0.94 119.30 129.54 3gkf s MET 171 Ca -0.05 -0.46 -0.10 0.00 -1.25 0.00 0.00 55.69 53.83 3gkf s MET 171 Cb -0.14 -3.23 -0.05 0.00 2.84 0.00 0.00 34.83 34.25 3gkf s MET 171 CO 0.04 -0.03 0.13 0.00 -0.65 0.00 0.00 175.02 174.52 3gkf s ALA 172 N 1.15 3.56 -0.16 4.11 0.00 -0.33 -1.30 121.76 128.78 3gkf s ALA 172 Ca 0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 51.96 51.10 3gkf s ALA 172 Cb -0.14 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.74 3gkf s ALA 172 CO 0.03 -0.08 0.02 0.08 0.00 0.00 0.00 175.76 175.81 3gkf s VAL 173 N 0.83 4.39 -0.47 0.00 1.01 -0.02 -0.71 120.40 125.44 3gkf s VAL 173 Ca 0.07 -0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.63 3gkf s VAL 173 Cb -0.13 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.33 3gkf s VAL 173 CO 0.02 0.48 0.82 0.42 0.00 0.00 0.00 175.10 176.84 3gkf s THR 174 N 0.28 4.60 0.07 3.92 -4.23 -0.79 0.03 115.64 119.52 3gkf s THR 174 Ca 0.01 0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 3gkf s THR 174 Cb -0.13 -4.36 -0.04 0.00 1.34 0.00 0.00 72.50 69.30 3gkf s THR 174 CO 0.01 -0.79 0.25 -0.83 -0.54 0.00 0.00 174.62 172.73 3gkf s GLY 175 N 2.26 2.20 0.00 3.99 0.00 -0.32 -4.82 107.32 110.63 3gkf s GLY 175 Ca 0.30 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3gkf s GLY 175 CO 0.22 -0.68 0.00 -0.62 0.00 0.00 0.00 173.10 172.02 3gkf n VAL 176 N 0.40 0.00 -2.21 1.40 0.31 -1.26 -4.41 118.33 112.55 3gkf n VAL 176 Ca -0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.23 3gkf n VAL 176 Cb 0.52 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.46 3gkf n VAL 176 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gkf n ARG 182 N 0.00 0.47 -4.18 5.55 0.63 -1.26 -5.06 116.66 112.81 3gkf n ARG 182 Ca 0.00 -0.90 -0.28 0.00 -0.92 0.00 0.00 57.85 55.76 3gkf n ARG 182 Cb 0.00 0.44 -0.04 0.00 0.45 0.00 0.00 32.46 33.31 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 -0.87 4.45 0.13 6.15 -4.77 -1.26 -4.97 116.67 115.53 3gkf s ASP 183 Ca 0.03 -1.31 -0.24 0.00 -3.30 0.00 0.00 52.55 47.73 3gkf s ASP 183 Cb 0.15 0.21 -0.03 0.00 -1.09 0.00 0.00 42.92 42.16 3gkf s ASP 183 CO -0.04 -0.89 1.64 -0.61 0.70 0.00 0.00 175.17 175.97 3gkf h GLN 184 N 1.08 -0.32 -1.00 2.11 -0.00 -1.91 -1.85 115.11 113.22 3gkf h GLN 184 Ca -0.40 0.02 0.19 0.00 -0.00 0.00 0.00 58.65 58.46 3gkf h GLN 184 Cb 1.29 0.07 -0.10 0.00 0.00 0.00 0.00 27.48 28.74 3gkf h GLN 184 CO 0.65 -0.21 0.61 0.07 0.00 0.00 0.00 178.83 179.95 3gkf h ARG 185 N -0.33 0.73 0.50 1.69 0.11 -1.94 0.12 114.38 115.26 3gkf h ARG 185 Ca 0.08 -0.04 -0.02 0.00 0.10 0.00 0.00 59.98 60.09 3gkf h ARG 185 Cb 0.44 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.36 3gkf h ARG 185 CO -0.26 0.48 -0.24 -0.92 0.10 0.00 0.00 179.97 179.14 3gkf h TYR 186 N 0.75 -0.62 0.00 4.08 3.20 -1.76 -2.50 116.97 120.12 3gkf h TYR 186 Ca 0.58 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.41 3gkf h TYR 186 Cb 0.91 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 3gkf h TYR 186 CO -0.00 -0.31 -0.08 0.74 -1.64 0.00 0.00 178.16 176.86 3gkf h PHE 187 N -0.85 0.00 0.28 -3.82 0.04 -0.64 -1.30 116.94 110.65 3gkf h PHE 187 Ca -0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 3gkf h PHE 187 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3gkf h PHE 187 CO -0.01 0.08 -0.13 0.77 -0.60 0.00 0.00 178.31 178.42 3gkf h SER 188 N 0.00 -0.32 -0.33 2.17 0.02 -0.69 0.21 113.55 114.61 3gkf h SER 188 Ca -0.00 -0.11 0.07 0.00 -0.84 0.00 0.00 61.79 60.91 3gkf h SER 188 Cb 0.23 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 3gkf h SER 188 CO 0.01 -0.07 -0.11 0.25 -1.14 0.00 0.00 176.83 175.76 3gkf h LEU 189 N -0.55 -0.39 -0.08 5.07 5.85 -0.82 -0.71 115.31 123.66 3gkf h LEU 189 Ca -0.04 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3gkf h LEU 189 Cb 0.41 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3gkf h LEU 189 CO 0.06 -0.14 -0.02 0.00 -0.34 0.00 0.00 178.44 177.99 3gkf h ALA 190 N 1.25 0.12 -0.43 1.25 0.00 -1.12 -1.49 119.26 118.84 3gkf h ALA 190 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 190 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3gkf h ALA 190 CO -0.36 -0.15 0.27 1.79 0.00 0.00 0.00 179.25 180.79 3gkf h THR 191 N -0.17 1.13 -0.12 0.00 1.35 -0.50 -2.63 112.91 111.97 3gkf h THR 191 Ca 0.02 -0.30 -0.01 0.00 -0.55 0.00 0.00 66.41 65.57 3gkf h THR 191 Cb 0.43 0.55 -0.00 0.00 -1.73 0.00 0.00 68.15 67.40 3gkf h THR 191 CO 0.01 0.14 0.02 -0.09 -0.25 0.00 0.00 175.52 175.34 3gkf h ARG 192 N 0.58 0.20 -0.37 4.72 9.65 -1.01 -0.88 114.38 127.27 3gkf h ARG 192 Ca 0.16 -0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.06 3gkf h ARG 192 Cb -0.01 -0.02 -0.07 0.00 -1.39 0.00 0.00 29.97 28.47 3gkf h ARG 192 CO -0.03 0.40 -0.12 0.82 2.80 0.00 0.00 179.97 183.84 3gkf h ILE 193 N -0.02 0.57 -0.39 1.20 2.04 -1.28 0.19 117.51 119.81 3gkf h ILE 193 Ca 0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.94 3gkf h ILE 193 Cb 0.29 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 3gkf h ILE 193 CO 0.00 0.00 0.16 0.00 0.00 0.00 0.00 178.15 178.32 3gkf h ALA 194 N 1.31 0.47 -0.66 1.87 0.00 -1.15 0.85 119.26 121.96 3gkf h ALA 194 Ca 0.18 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3gkf h ALA 194 Cb 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3gkf h ALA 194 CO -0.41 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 178.73 3gkf h ALA 195 N 1.23 0.93 -0.47 0.00 0.00 -0.66 -2.09 119.26 118.19 3gkf h ALA 195 Ca 0.18 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 195 Cb 0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3gkf h ALA 195 CO -0.16 0.66 -0.17 1.49 0.00 0.00 0.00 179.25 181.08 3gkf h GLU 196 N 1.01 0.93 -0.18 0.00 4.57 -0.18 -2.15 114.58 118.58 3gkf h GLU 196 Ca 0.20 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 3gkf h GLU 196 Cb 0.45 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3gkf h GLU 196 CO 0.01 1.02 0.02 0.52 -1.18 0.00 0.00 179.01 179.40 3gkf h MET 197 N 0.81 0.26 0.00 1.92 2.86 -0.20 -3.46 114.93 117.13 3gkf h MET 197 Ca 0.12 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3gkf h MET 197 Cb 0.71 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.33 3gkf h MET 197 CO 0.05 0.27 0.00 0.41 1.06 0.00 0.00 176.91 178.70 3gkf n GLY 198 N -1.23 0.01 3.75 8.32 0.00 -0.81 -4.92 105.19 110.31 3gkf n GLY 198 Ca -0.00 0.00 -0.41 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 s ALA 199 N 0.00 3.67 -0.05 4.61 0.00 -0.97 -4.85 121.76 124.17 3gkf s ALA 199 Ca 0.00 1.43 0.13 0.00 0.00 0.00 0.00 51.96 53.52 3gkf s ALA 199 Cb 0.00 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 3gkf s ALA 199 CO 0.00 -0.85 1.12 1.96 0.00 0.00 0.00 175.76 177.99 3gkf h GLN 200 N 4.89 0.00 -5.37 0.00 7.50 -1.38 -3.42 115.11 117.33 3gkf h GLN 200 Ca -0.47 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.14 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 0.60 -0.83 0.42 -1.50 0.00 0.00 178.83 178.30 3gkf s ILE 201 N -2.82 1.37 -0.13 2.54 1.01 -0.88 -3.75 121.20 118.54 3gkf s ILE 201 Ca 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 3gkf s ILE 201 Cb 0.09 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 3gkf s ILE 201 CO 0.80 0.39 -0.07 -0.63 0.00 0.00 0.00 174.94 175.43 3gkf s ILE 202 N -0.09 3.61 -0.10 2.92 -1.09 -0.41 -1.19 121.20 124.85 3gkf s ILE 202 Ca -0.00 -0.47 0.03 0.00 -2.23 0.00 0.00 60.65 57.97 3gkf s ILE 202 Cb -0.10 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.23 3gkf s ILE 202 CO 0.01 0.53 -0.18 -0.75 -1.23 0.00 0.00 174.94 173.32 3gkf s LYS 203 N 0.09 3.04 0.23 2.79 2.20 0.11 -0.52 119.74 127.67 3gkf s LYS 203 Ca -0.02 -0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 54.75 3gkf s LYS 203 Cb -0.14 -2.43 0.02 0.00 -1.51 0.00 0.00 37.83 33.78 3gkf s LYS 203 CO 0.03 0.29 0.41 -2.37 -0.36 0.00 0.00 175.35 173.35 3gkf n THR 204 N 3.26 0.00 -3.98 3.43 5.66 0.12 -1.88 114.28 120.89 3gkf n THR 204 Ca -0.18 -0.74 -0.28 0.00 -3.05 0.00 0.00 64.05 59.79 3gkf n THR 204 Cb 0.53 0.61 -0.04 0.00 -1.55 0.00 0.00 70.33 69.87 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 -4.59 3.37 0.50 1.09 2.02 -1.26 0.14 117.35 118.63 3gkf s TYR 205 Ca 0.12 0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.76 3gkf s TYR 205 Cb -0.02 -1.65 -0.08 0.00 -0.40 0.00 0.00 41.96 39.80 3gkf s TYR 205 CO 0.09 0.54 0.99 -0.47 -1.57 0.00 0.00 175.55 175.12 3gkf s TYR 206 N -1.62 3.32 -0.03 2.71 5.04 -1.26 -4.94 117.35 120.57 3gkf s TYR 206 Ca 0.33 1.52 0.01 0.00 -2.44 0.00 0.00 57.07 56.49 3gkf s TYR 206 Cb -0.12 -2.86 0.02 0.00 0.35 0.00 0.00 41.96 39.35 3gkf s TYR 206 CO 0.26 -0.43 -0.05 0.08 -1.34 0.00 0.00 175.55 174.08 3gkf s VAL 207 N -2.43 0.52 0.34 3.14 1.01 -1.26 -5.03 120.40 116.68 3gkf s VAL 207 Ca 0.61 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 62.52 3gkf s VAL 207 Cb -0.11 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.83 3gkf s VAL 207 CO 0.26 0.20 1.79 -0.33 0.00 0.00 0.00 175.10 177.02 3gkf h GLU 208 N 6.89 0.20 -5.08 2.72 5.08 -1.97 -3.35 114.58 119.07 3gkf h GLU 208 Ca -0.37 -0.07 -0.67 0.00 -1.00 0.00 0.00 59.36 57.25 3gkf h GLU 208 Cb 1.16 -0.01 -0.33 0.00 0.50 0.00 0.00 28.75 30.07 3gkf h GLU 208 CO 0.48 0.50 -0.82 0.21 -1.00 0.00 0.00 179.01 178.38 3gkf s LYS 209 N -4.34 3.11 0.00 2.33 2.20 -1.26 -4.79 119.74 117.00 3gkf s LYS 209 Ca -0.04 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.79 3gkf s LYS 209 Cb 0.14 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 3gkf s LYS 209 CO 0.75 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 176.00 3gkf n GLY 210 N 4.51 0.74 0.31 5.54 0.00 -1.26 -4.39 105.19 110.64 3gkf n GLY 210 Ca -0.20 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.59 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 0.37 -0.83 1.61 3.57 -1.87 -2.00 116.94 117.79 3gkf h PHE 211 Ca 0.00 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3gkf h PHE 211 Cb 0.00 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 3gkf h PHE 211 CO 0.00 0.22 0.51 0.93 -2.23 0.00 0.00 178.31 177.74 3gkf h GLU 212 N 0.39 0.91 -0.61 1.11 5.08 -1.92 -0.60 114.58 118.94 3gkf h GLU 212 Ca 0.15 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3gkf h GLU 212 Cb 0.12 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3gkf h GLU 212 CO -0.03 0.60 0.28 0.00 -1.00 0.00 0.00 179.01 178.86 3gkf h ARG 213 N 0.94 0.87 0.15 2.33 3.08 -1.75 0.73 114.38 120.74 3gkf h ARG 213 Ca 0.36 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.28 3gkf h ARG 213 Cb 0.15 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3gkf h ARG 213 CO -0.17 0.69 -0.07 0.82 -1.07 0.00 0.00 179.97 180.17 3gkf h ILE 214 N 0.87 0.93 -0.15 2.04 2.04 -1.07 -0.25 117.51 121.91 3gkf h ILE 214 Ca 0.21 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3gkf h ILE 214 Cb 0.11 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3gkf h ILE 214 CO -0.03 0.08 0.10 0.58 0.00 0.00 0.00 178.15 178.89 3gkf h VAL 215 N -0.37 1.04 -0.96 1.67 2.07 -1.14 -2.43 116.25 116.13 3gkf h VAL 215 Ca -0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3gkf h VAL 215 Cb 0.29 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3gkf h VAL 215 CO 0.03 0.04 0.61 0.00 0.02 0.00 0.00 177.57 178.27 3gkf h ALA 216 N 1.06 1.26 0.00 1.67 0.00 -0.75 -1.58 119.26 120.91 3gkf h ALA 216 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gkf h ALA 216 Cb -0.02 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 17.38 3gkf h ALA 216 CO -0.01 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.31 3gkf n GLY 217 N -1.31 -1.53 3.70 0.00 0.00 -0.12 -4.73 105.19 101.20 3gkf n GLY 217 Ca 0.11 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 4.10 1.38 -4.31 0.00 -0.04 -1.26 -4.89 135.00 129.98 3gkf n PRO 219 Ca -0.08 -0.55 -0.16 0.00 -0.04 0.00 0.00 63.50 62.67 3gkf n PRO 219 Cb 0.51 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 3gkf n PRO 219 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3gkf s VAL 220 N -2.00 0.60 0.48 0.52 -7.23 -1.26 -3.50 120.40 108.00 3gkf s VAL 220 Ca 0.42 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.35 3gkf s VAL 220 Cb 0.21 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 3gkf s VAL 220 CO 0.35 -0.07 1.37 -2.84 -0.31 0.00 0.00 175.10 173.60 3gkf s PRO 221 N -4.01 3.54 -0.07 4.82 0.02 -1.25 -4.76 135.00 133.28 3gkf s PRO 221 Ca 0.36 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.70 3gkf s PRO 221 Cb 0.08 -2.52 -0.02 0.00 0.02 0.00 0.00 34.50 32.06 3gkf s PRO 221 CO 0.12 -0.89 -0.18 0.42 -0.33 0.00 0.00 177.00 176.15 3gkf s ILE 222 N -1.26 2.70 -0.01 2.83 1.01 -1.26 -1.28 121.20 123.92 3gkf s ILE 222 Ca 0.64 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 60.54 3gkf s ILE 222 Cb -0.41 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.99 3gkf s ILE 222 CO 0.51 0.57 -0.25 -0.69 0.00 0.00 0.00 174.94 175.08 3gkf s VAL 223 N -0.24 1.94 -0.08 2.92 1.01 0.32 0.27 120.40 126.54 3gkf s VAL 223 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.88 3gkf s VAL 223 Cb -0.13 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3gkf s VAL 223 CO 0.03 0.52 0.03 0.27 0.00 0.00 0.00 175.10 175.95 3gkf s ILE 224 N -0.60 4.52 0.28 2.22 -4.36 -0.90 0.15 121.20 122.51 3gkf s ILE 224 Ca 0.10 -0.20 -0.15 0.00 -0.26 0.00 0.00 60.65 60.13 3gkf s ILE 224 Cb -0.09 -2.93 -0.08 0.00 1.25 0.00 0.00 42.46 40.60 3gkf s ILE 224 CO -0.01 0.58 0.70 0.00 0.24 0.00 0.00 174.94 176.46 3gkf s ALA 225 N -0.93 3.39 0.09 2.27 0.00 0.12 0.16 121.76 126.85 3gkf s ALA 225 Ca 0.14 0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.98 3gkf s ALA 225 Cb -0.11 -2.73 -0.12 0.00 0.00 0.00 0.00 23.12 20.16 3gkf s ALA 225 CO 0.04 0.36 1.36 0.78 0.00 0.00 0.00 175.76 178.29 3gkf h GLY 226 N 2.66 0.75 0.00 0.00 0.00 -0.61 -3.39 103.07 102.47 3gkf h GLY 226 Ca -0.48 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 45.98 3gkf h GLY 226 CO 0.66 0.79 0.00 0.61 0.00 0.00 0.00 176.54 178.59 3gkf n GLY 227 N 0.38 -1.55 3.71 4.60 0.00 -1.26 -4.92 105.19 106.15 3gkf n GLY 227 Ca -0.05 -1.36 -0.36 0.00 0.00 0.00 0.00 46.02 44.25 3gkf n GLY 227 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gkf n LYS 228 N 0.00 0.83 -1.76 1.61 2.85 -1.26 -4.45 118.16 115.98 3gkf n LYS 228 Ca 0.00 0.35 -0.41 0.00 -1.05 0.00 0.00 58.31 57.19 3gkf n LYS 228 Cb 0.00 -2.49 -0.00 0.00 -0.65 0.00 0.00 35.03 31.89 3gkf n LYS 228 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3gkf n LYS 229 N -2.27 2.56 -4.39 -1.58 3.00 -1.26 -4.82 118.16 109.41 3gkf n LYS 229 Ca 0.15 0.90 -0.19 0.00 -0.00 0.00 0.00 58.31 59.17 3gkf n LYS 229 Cb 0.49 -2.60 -0.10 0.00 0.00 0.00 0.00 35.03 32.81 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -1.82 2.24 0.34 3.14 1.43 -1.26 -5.03 118.68 117.72 3gkf s LEU 230 Ca 0.54 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.09 3gkf s LEU 230 Cb -0.50 -0.38 -0.11 0.00 0.03 0.00 0.00 46.19 45.24 3gkf s LEU 230 CO 0.63 -0.51 1.51 -2.16 0.23 0.00 0.00 176.35 176.06 3gkf s PRO 231 N -3.85 4.14 0.18 1.29 0.04 -1.26 -4.77 135.00 130.77 3gkf s PRO 231 Ca 0.31 2.54 -0.17 0.00 0.04 0.00 0.00 61.00 63.72 3gkf s PRO 231 Cb 0.06 -3.00 0.14 0.00 0.04 0.00 0.00 34.50 31.74 3gkf s PRO 231 CO 0.12 -0.54 1.63 0.93 0.04 0.00 0.00 177.00 179.17 3gkf h GLU 232 N 3.80 -0.08 -0.87 4.56 3.07 -1.99 0.12 114.58 123.19 3gkf h GLU 232 Ca -0.49 0.01 0.23 0.00 -0.50 0.00 0.00 59.36 58.60 3gkf h GLU 232 Cb 1.23 0.02 -0.14 0.00 -0.84 0.00 0.00 28.75 29.02 3gkf h GLU 232 CO 0.70 -0.05 0.25 -0.09 -1.40 0.00 0.00 179.01 178.42 3gkf h ARG 233 N -0.08 0.22 -0.29 2.33 1.12 -1.98 0.20 114.38 115.91 3gkf h ARG 233 Ca 0.23 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.91 3gkf h ARG 233 Cb 0.44 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.35 3gkf h ARG 233 CO -0.54 0.15 -0.52 0.93 -3.11 0.00 0.00 179.97 176.87 3gkf h GLU 234 N 0.23 0.84 -0.25 0.20 5.08 -1.14 -2.08 114.58 117.46 3gkf h GLU 234 Ca 0.55 -0.52 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gkf h GLU 234 Cb 1.09 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3gkf h GLU 234 CO -0.63 1.15 0.10 0.00 -1.00 0.00 0.00 179.01 178.63 3gkf h ALA 235 N 0.75 0.32 -0.78 3.43 0.00 -0.28 -1.34 119.26 121.36 3gkf h ALA 235 Ca 0.02 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gkf h ALA 235 Cb 1.12 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3gkf h ALA 235 CO 0.11 -0.09 0.47 -0.07 0.00 0.00 0.00 179.25 179.68 3gkf h LEU 236 N 0.25 0.74 -0.78 0.00 3.38 -0.67 0.14 115.31 118.37 3gkf h LEU 236 Ca 0.08 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3gkf h LEU 236 Cb 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3gkf h LEU 236 CO -0.01 0.48 0.51 -0.08 0.09 0.00 0.00 178.44 179.44 3gkf h GLU 237 N 0.87 1.02 -0.08 1.13 4.22 -1.00 0.59 114.58 121.33 3gkf h GLU 237 Ca 0.34 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.73 3gkf h GLU 237 Cb 0.15 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3gkf h GLU 237 CO -0.17 0.67 0.02 1.98 -2.18 0.00 0.00 179.01 179.34 3gkf h MET 238 N 1.05 0.06 -0.00 1.92 4.05 -0.06 0.54 114.93 122.49 3gkf h MET 238 Ca 0.29 -0.00 0.03 0.00 -0.28 0.00 0.00 59.70 59.74 3gkf h MET 238 Cb -0.12 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 3gkf h MET 238 CO -0.06 0.04 -0.34 0.00 0.23 0.00 0.00 176.91 176.78 3gkf h TRP 240 N -0.49 0.82 -0.24 0.00 7.01 0.63 -1.25 115.95 122.43 3gkf h TRP 240 Ca 0.06 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 3gkf h TRP 240 Cb 0.58 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.39 3gkf h TRP 240 CO -0.36 0.30 0.05 1.96 -2.79 0.00 0.00 178.44 177.60 3gkf h GLN 241 N 0.74 0.39 0.09 2.65 1.08 -0.30 0.89 115.11 120.64 3gkf h GLN 241 Ca 0.41 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.53 3gkf h GLN 241 Cb 0.43 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.80 3gkf h GLN 241 CO -0.28 0.50 -0.14 0.00 -0.95 0.00 0.00 178.83 177.96 3gkf h ALA 242 N 0.87 -0.24 0.16 3.87 0.00 -0.10 0.84 119.26 124.66 3gkf h ALA 242 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gkf h ALA 242 Cb 0.29 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3gkf h ALA 242 CO 0.00 -0.66 -0.08 0.82 0.00 0.00 0.00 179.25 179.34 3gkf h ILE 243 N -0.28 0.85 -0.92 0.00 1.08 -1.23 -1.04 117.51 115.97 3gkf h ILE 243 Ca 0.02 -0.01 0.22 0.00 -0.39 0.00 0.00 64.86 64.70 3gkf h ILE 243 Cb 0.29 0.85 -0.06 0.00 -3.07 0.00 0.00 36.82 34.83 3gkf h ILE 243 CO -0.07 0.00 0.62 -0.78 -0.69 0.00 0.00 178.15 177.23 3gkf h ASP 244 N -0.22 0.33 -0.43 1.72 3.58 -0.56 0.29 116.42 121.13 3gkf h ASP 244 Ca -0.02 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.47 3gkf h ASP 244 Cb 0.17 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3gkf h ASP 244 CO 0.04 0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.51 3gkf n GLN 245 N -4.48 2.46 0.00 0.28 6.02 0.27 -4.91 117.38 117.02 3gkf n GLN 245 Ca 0.20 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 3gkf n GLN 245 Cb 0.78 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.50 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 1.00 0.98 3.75 1.08 0.00 0.09 -4.62 105.19 107.46 3gkf n GLY 246 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 2.46 -1.60 4.61 0.00 -0.47 -4.83 121.76 119.93 3gkf s ALA 247 Ca 0.00 0.87 0.22 0.00 0.00 0.00 0.00 51.96 53.05 3gkf s ALA 247 Cb 0.00 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 3gkf s ALA 247 CO 0.00 -1.28 1.00 0.43 0.00 0.00 0.00 175.76 175.91 3gkf n SER 248 N -1.94 1.61 -3.68 0.00 7.64 0.14 -4.64 113.62 112.75 3gkf n SER 248 Ca 0.13 -1.30 -0.01 0.00 1.01 0.00 0.00 58.87 58.70 3gkf n SER 248 Cb 0.50 0.69 -0.01 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.67 -0.32 0.02 0.23 0.00 -1.12 -1.04 107.32 102.43 3gkf s GLY 249 Ca 0.14 0.40 0.03 0.00 0.00 0.00 0.00 44.72 45.29 3gkf s GLY 249 CO 0.69 0.13 -0.10 -1.34 0.00 0.00 0.00 173.10 172.47 3gkf s VAL 250 N -2.84 0.80 -0.26 1.40 -7.23 -1.04 -2.12 120.40 109.13 3gkf s VAL 250 Ca 0.13 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.56 3gkf s VAL 250 Cb 0.02 -0.74 0.06 0.00 0.56 0.00 0.00 36.38 36.28 3gkf s VAL 250 CO -0.01 -0.02 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.04 3gkf s ASP 251 N -0.88 4.39 -0.49 4.85 2.15 0.42 -1.88 116.67 125.23 3gkf s ASP 251 Ca -0.00 -1.35 -0.18 0.00 0.43 0.00 0.00 52.55 51.45 3gkf s ASP 251 Cb -0.06 -1.55 0.06 0.00 -0.30 0.00 0.00 42.92 41.06 3gkf s ASP 251 CO 0.00 -0.18 0.56 -0.04 -0.17 0.00 0.00 175.17 175.34 3gkf s MET 252 N 1.12 3.10 0.00 4.34 -1.94 -1.26 0.17 119.30 124.83 3gkf s MET 252 Ca -0.08 -0.95 0.00 0.00 -1.71 0.00 0.00 55.69 52.95 3gkf s MET 252 Cb -0.20 -4.08 0.00 0.00 2.01 0.00 0.00 34.83 32.56 3gkf s MET 252 CO -0.05 -1.13 0.00 0.41 -0.01 0.00 0.00 175.02 174.24 3gkf n GLY 253 N 5.17 1.43 0.36 -0.03 0.00 -1.26 -3.98 105.19 106.87 3gkf n GLY 253 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.01 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.95 0.00 1.61 -0.00 -1.89 0.49 114.38 115.54 3gkf h ARG 254 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 3gkf h ARG 254 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 29.97 29.76 3gkf h ARG 254 CO 0.00 0.63 0.00 0.09 0.00 0.00 0.00 179.97 180.69 3gkf n ASN 255 N -4.63 0.00 -0.00 7.04 3.02 -1.26 -1.27 115.26 118.15 3gkf n ASN 255 Ca 0.18 0.46 -0.02 0.00 -0.03 0.00 0.00 54.58 55.18 3gkf n ASN 255 Cb 0.35 -0.46 -0.01 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.46 0.77 0.29 2.41 5.41 0.17 -4.33 119.36 122.62 3gkf n ILE 256 Ca 0.00 0.26 0.16 0.00 1.00 0.00 0.00 62.75 64.17 3gkf n ILE 256 Cb 0.01 -1.59 0.89 0.00 -0.71 0.00 0.00 39.64 38.24 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 -0.22 0.00 0.00 1.39 -5.15 -1.37 -1.33 116.94 110.26 3gkf h PHE 257 Ca 0.00 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 57.69 3gkf h PHE 257 Cb 0.22 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.38 3gkf h PHE 257 CO -0.09 0.05 -0.95 1.96 -2.00 0.00 0.00 178.31 177.28 3gkf h GLN 258 N 0.00 0.00 -6.95 6.09 4.20 -1.40 -3.47 115.11 113.57 3gkf h GLN 258 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.14 3gkf h GLN 258 Cb 0.20 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.13 3gkf h GLN 258 CO 0.01 0.20 0.33 0.45 -0.67 0.00 0.00 178.83 179.14 3gkf n SER 259 N -2.90 1.52 0.25 1.46 2.88 -0.50 -4.87 113.62 111.46 3gkf n SER 259 Ca -0.03 0.85 0.13 0.00 -1.33 0.00 0.00 58.87 58.49 3gkf n SER 259 Cb 0.69 -1.47 0.63 0.00 -0.75 0.00 0.00 64.21 63.31 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 -2.25 -3.46 3.32 -1.91 -3.31 116.42 109.49 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 1.35 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.48 3gkf h ASP 260 CO 0.53 0.13 -0.72 1.41 -1.72 0.00 0.00 179.24 178.87 3gkf n HIS 261 N -3.38 2.51 0.26 4.55 8.25 -1.26 -4.98 115.22 121.17 3gkf n HIS 261 Ca -0.01 -4.00 -0.17 0.00 -0.26 0.00 0.00 57.72 53.28 3gkf n HIS 261 Cb 0.33 -0.49 -0.09 0.00 1.12 0.00 0.00 29.99 30.86 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 4.32 -0.86 -0.74 -0.41 0.11 -1.78 -2.02 132.00 130.62 3gkf h PRO 262 Ca 0.17 0.06 0.08 0.00 0.11 0.00 0.00 66.00 66.41 3gkf h PRO 262 Cb 0.73 0.19 -0.06 0.00 0.11 0.00 0.00 31.00 31.97 3gkf h PRO 262 CO 0.72 -0.57 0.41 0.28 -0.21 0.00 0.00 178.00 178.63 3gkf h VAL 263 N -0.89 0.93 -0.62 3.15 2.07 -1.94 0.16 116.25 119.12 3gkf h VAL 263 Ca -0.04 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3gkf h VAL 263 Cb 0.78 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3gkf h VAL 263 CO -0.06 0.13 0.36 0.00 0.02 0.00 0.00 177.57 178.02 3gkf h ALA 264 N 1.40 0.81 -0.50 1.67 0.00 -1.80 -1.97 119.26 118.87 3gkf h ALA 264 Ca 0.35 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.30 3gkf h ALA 264 Cb 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3gkf h ALA 264 CO -0.22 0.08 0.25 1.98 0.00 0.00 0.00 179.25 181.33 3gkf h MET 265 N 0.70 0.47 -0.64 0.00 -1.53 0.02 -1.81 114.93 112.14 3gkf h MET 265 Ca 0.26 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.49 3gkf h MET 265 Cb 0.08 -0.11 -0.03 0.00 -0.55 0.00 0.00 31.60 31.00 3gkf h MET 265 CO -0.13 0.31 0.40 0.52 0.14 0.00 0.00 176.91 178.15 3gkf h MET 266 N 0.49 0.86 -0.31 0.39 2.86 -0.55 0.16 114.93 118.83 3gkf h MET 266 Ca 0.22 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.76 3gkf h MET 266 Cb 0.13 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3gkf h MET 266 CO -0.16 0.59 0.04 0.87 1.06 0.00 0.00 176.91 179.32 3gkf h LYS 267 N 0.87 0.46 0.26 1.72 1.57 -1.09 0.51 116.57 120.87 3gkf h LYS 267 Ca 0.23 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3gkf h LYS 267 Cb -0.05 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.18 3gkf h LYS 267 CO -0.05 0.46 -0.14 0.00 -0.57 0.00 0.00 179.45 179.15 3gkf h ALA 268 N 1.60 -0.37 -0.68 3.86 0.00 -0.12 -1.61 119.26 121.95 3gkf h ALA 268 Ca 0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3gkf h ALA 268 Cb 0.24 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3gkf h ALA 268 CO 0.00 -0.71 0.30 0.28 0.00 0.00 0.00 179.25 179.12 3gkf h VAL 269 N -0.37 1.23 -0.72 0.00 2.07 0.47 -1.50 116.25 117.44 3gkf h VAL 269 Ca -0.03 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 66.90 3gkf h VAL 269 Cb 0.30 0.44 -0.08 0.00 -1.52 0.00 0.00 31.29 30.43 3gkf h VAL 269 CO 0.05 0.28 0.34 1.56 0.02 0.00 0.00 177.57 179.82 3gkf h GLN 270 N 0.95 0.55 0.17 1.57 4.20 0.12 0.10 115.11 122.77 3gkf h GLN 270 Ca 0.23 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 3gkf h GLN 270 Cb 0.16 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.82 3gkf h GLN 270 CO -0.02 0.37 -0.08 0.00 -0.67 0.00 0.00 178.83 178.42 3gkf h ALA 271 N 1.45 -0.23 -0.19 3.87 0.00 -0.32 0.16 119.26 124.00 3gkf h ALA 271 Ca 0.36 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.20 3gkf h ALA 271 Cb 0.41 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3gkf h ALA 271 CO -0.29 -0.59 0.06 0.28 0.00 0.00 0.00 179.25 178.71 3gkf h VAL 272 N -0.32 0.96 0.38 0.00 2.07 -0.84 -0.07 116.25 118.43 3gkf h VAL 272 Ca -0.02 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3gkf h VAL 272 Cb 0.25 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3gkf h VAL 272 CO 0.04 0.03 -0.18 0.58 0.02 0.00 0.00 177.57 178.05 3gkf h VAL 273 N 0.15 0.00 0.22 2.57 2.07 -0.82 -3.04 116.25 117.41 3gkf h VAL 273 Ca 0.08 -0.35 -0.34 0.00 0.82 0.00 0.00 66.70 66.91 3gkf h VAL 273 Cb 0.05 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 29.84 3gkf h VAL 273 CO -0.08 0.00 -1.60 0.45 0.02 0.00 0.00 177.57 176.36 3gkf h HIS 274 N -0.87 0.86 -0.01 1.57 -0.00 -1.08 -3.38 115.15 112.24 3gkf h HIS 274 Ca -0.05 -0.63 0.00 0.00 -0.00 0.00 0.00 60.37 59.69 3gkf h HIS 274 Cb 0.40 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 3gkf h HIS 274 CO 0.03 1.61 -0.59 0.72 -0.00 0.00 0.00 177.93 179.70 3gkf n HIS 275 N -3.66 0.00 -0.90 2.45 8.25 -0.66 -4.98 115.22 115.73 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 -0.35 -0.74 -4.56 0.41 3.02 -0.13 -4.96 115.26 107.94 3gkf n ASN 276 Ca 0.08 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3gkf n ASN 276 Cb 0.44 -0.12 0.04 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.25 0.79 -2.15 3.52 -0.58 -0.96 -4.92 120.64 114.08 3gkf n GLU 277 Ca 0.00 0.30 -0.32 0.00 -0.42 0.00 0.00 57.16 56.73 3gkf n GLU 277 Cb 0.00 -1.97 -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 -1.56 4.40 0.22 2.62 -1.32 -1.26 -4.43 115.64 114.30 3gkf s THR 278 Ca 0.72 1.03 -0.14 0.00 -1.21 0.00 0.00 61.69 62.10 3gkf s THR 278 Cb -0.45 -3.67 0.25 0.00 -1.51 0.00 0.00 72.50 67.13 3gkf s THR 278 CO 0.51 -0.77 1.61 0.00 -2.21 0.00 0.00 174.62 173.76 3gkf h ALA 279 N 0.43 0.40 0.37 11.08 0.00 -1.91 -0.87 119.26 128.76 3gkf h ALA 279 Ca -0.46 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 279 Cb 1.19 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3gkf h ALA 279 CO 0.60 -0.45 -0.24 -0.44 0.00 0.00 0.00 179.25 178.73 3gkf h ASP 280 N -0.02 -0.59 -0.48 0.00 5.19 -1.97 0.26 116.42 118.81 3gkf h ASP 280 Ca 0.32 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.84 3gkf h ASP 280 Cb 0.51 0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.14 3gkf h ASP 280 CO -0.70 -0.37 0.13 0.03 -3.12 0.00 0.00 179.24 175.20 3gkf h ARG 281 N -0.58 0.27 -0.12 3.56 3.08 -1.87 -0.20 114.38 118.51 3gkf h ARG 281 Ca -0.04 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.02 3gkf h ARG 281 Cb 0.49 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.42 3gkf h ARG 281 CO 0.03 0.18 -0.49 0.00 -1.07 0.00 0.00 179.97 178.62 3gkf h ALA 282 N 1.35 -0.85 -0.85 0.04 0.00 -0.48 0.24 119.26 118.71 3gkf h ALA 282 Ca 0.23 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.28 3gkf h ALA 282 Cb 0.28 0.97 -0.11 0.00 0.00 0.00 0.00 17.79 18.93 3gkf h ALA 282 CO -0.28 -1.03 0.36 -0.92 0.00 0.00 0.00 179.25 177.39 3gkf h TYR 283 N -0.52 0.61 -0.11 0.00 3.20 0.20 0.19 116.97 120.54 3gkf h TYR 283 Ca 0.03 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3gkf h TYR 283 Cb 0.61 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3gkf h TYR 283 CO -0.57 0.00 0.06 0.93 -1.64 0.00 0.00 178.16 176.94 3gkf h GLU 284 N 0.43 0.15 0.00 1.82 5.08 0.79 0.69 114.58 123.55 3gkf h GLU 284 Ca 0.51 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.85 3gkf h GLU 284 Cb 0.89 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 3gkf h GLU 284 CO -0.48 0.15 -0.00 1.37 -1.00 0.00 0.00 179.01 179.05 3gkf h LEU 285 N 0.10 0.00 0.45 1.33 -0.00 -0.51 0.49 115.31 117.17 3gkf h LEU 285 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 3gkf h LEU 285 Cb 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 3gkf h LEU 285 CO -0.01 0.00 -0.45 0.22 -0.00 0.00 0.00 178.44 178.20 3gkf h TYR 286 N 0.00 -1.24 -0.81 0.17 3.20 0.24 0.23 116.97 118.76 3gkf h TYR 286 Ca -0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 3gkf h TYR 286 Cb 0.23 0.48 -0.04 0.00 1.54 0.00 0.00 36.73 38.94 3gkf h TYR 286 CO 0.00 -0.61 0.34 -0.07 -1.64 0.00 0.00 178.16 176.17 3gkf h LEU 287 N -0.91 1.11 -0.57 2.82 3.38 -0.45 -2.53 115.31 118.15 3gkf h LEU 287 Ca -0.05 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.87 3gkf h LEU 287 Cb 0.80 -0.29 -0.11 0.00 0.09 0.00 0.00 40.66 41.15 3gkf h LEU 287 CO -0.06 0.97 -0.21 -1.28 0.09 0.00 0.00 178.44 177.95 3gkf h SER 288 N 1.18 -0.76 1.09 -0.43 0.87 0.22 -2.91 113.55 112.80 3gkf h SER 288 Ca 0.27 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 3gkf h SER 288 Cb 0.20 0.44 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3gkf h SER 288 CO -0.02 -0.24 0.00 -0.62 -0.53 0.00 0.00 176.83 175.41 3gkf n GLU 289 N -5.43 0.18 0.00 2.24 -0.58 0.80 -5.05 120.64 112.80 3gkf n GLU 289 Ca 0.06 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 57.05 3gkf n GLU 289 Cb 0.33 -1.76 0.02 0.00 -0.57 0.00 0.00 31.44 29.46 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28