#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 2.83 -0.28 1.61 1.02 -1.26 -5.11 119.74 118.55 3gkf s LYS 11 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.47 3gkf s LYS 11 Cb 0.00 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.69 3gkf s LYS 11 CO 0.00 0.66 -0.06 0.34 -0.92 0.00 0.00 175.35 175.36 3gkf s ASP 12 N -1.20 4.59 0.00 2.83 2.15 -1.26 -4.95 116.67 118.83 3gkf s ASP 12 Ca 0.16 -1.47 0.27 0.00 0.43 0.00 0.00 52.55 51.94 3gkf s ASP 12 Cb -0.11 -1.60 1.00 0.00 -0.30 0.00 0.00 42.92 41.90 3gkf s ASP 12 CO 0.06 -0.23 1.71 0.49 -0.17 0.00 0.00 175.17 177.03 3gkf n PHE 13 N 4.46 0.04 -3.80 -5.34 3.72 -1.26 -4.95 117.46 110.32 3gkf n PHE 13 Ca -0.12 -0.02 -0.32 0.00 -0.05 0.00 0.00 57.45 56.95 3gkf n PHE 13 Cb 0.42 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.99 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.21 -1.67 0.26 -1.08 3.00 -1.26 -4.81 116.66 111.31 3gkf n ARG 14 Ca 0.19 0.40 0.13 0.00 -0.00 0.00 0.00 57.85 58.56 3gkf n ARG 14 Cb 0.35 -4.05 0.69 0.00 0.00 0.00 0.00 32.46 29.45 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 0.52 0.00 5.15 1.35 -2.02 -2.07 112.91 113.88 3gkf h THR 15 Ca -0.66 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.56 3gkf h THR 15 Cb 1.37 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3gkf h THR 15 CO 0.52 0.13 0.00 -2.24 -0.25 0.00 0.00 175.52 173.68 3gkf h ASP 16 N 0.00 0.00 -3.68 5.36 2.03 -2.04 -3.41 116.42 114.69 3gkf h ASP 16 Ca -0.00 0.00 -0.66 0.00 -0.73 0.00 0.00 57.03 55.64 3gkf h ASP 16 Cb 0.42 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 38.55 3gkf h ASP 16 CO 0.02 0.00 -0.81 -1.58 -1.03 0.00 0.00 179.24 175.84 3gkf s GLN 17 N -3.30 2.28 0.02 4.15 0.74 -0.78 -5.11 119.66 117.67 3gkf s GLN 17 Ca 0.05 -1.19 -0.19 0.00 0.05 0.00 0.00 55.36 54.09 3gkf s GLN 17 Cb 0.10 -2.77 -0.06 0.00 1.10 0.00 0.00 33.01 31.38 3gkf s GLN 17 CO 0.45 -0.50 0.54 -1.25 -0.55 0.00 0.00 175.29 173.99 3gkf s PRO 18 N 1.19 4.20 0.28 1.67 0.04 -1.26 -4.92 135.00 136.20 3gkf s PRO 18 Ca -0.06 0.66 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 3gkf s PRO 18 Cb -0.18 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.96 3gkf s PRO 18 CO -0.07 0.53 1.61 0.94 0.04 0.00 0.00 177.00 180.05 3gkf n GLN 19 N 2.18 2.70 -4.36 4.56 7.27 -1.26 -5.00 117.38 123.46 3gkf n GLN 19 Ca -0.10 0.96 -0.19 0.00 0.07 0.00 0.00 57.00 57.75 3gkf n GLN 19 Cb 0.51 -2.75 -0.14 0.00 2.41 0.00 0.00 30.24 30.27 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 -0.35 0.82 -0.04 3.69 2.20 -1.26 -5.13 119.74 119.67 3gkf s LYS 20 Ca 0.65 -0.52 -0.25 0.00 -0.36 0.00 0.00 55.97 55.49 3gkf s LYS 20 Cb -0.50 -0.78 -0.04 0.00 -1.51 0.00 0.00 37.83 35.00 3gkf s LYS 20 CO 0.47 0.20 0.78 -0.80 -0.36 0.00 0.00 175.35 175.64 3gkf s ASN 21 N -0.65 7.11 -0.17 1.43 0.01 -1.26 -5.02 114.94 116.38 3gkf s ASN 21 Ca 0.02 1.33 -0.29 0.00 -0.71 0.00 0.00 52.86 53.21 3gkf s ASN 21 Cb -0.06 -2.46 -0.00 0.00 0.41 0.00 0.00 41.25 39.14 3gkf s ASN 21 CO 0.00 -0.14 1.09 -0.63 -1.51 0.00 0.00 177.10 175.91 3gkf s ILE 22 N 0.77 4.59 0.67 0.60 1.09 -1.26 -5.01 121.20 122.64 3gkf s ILE 22 Ca 0.41 1.90 -0.17 0.00 -1.10 0.00 0.00 60.65 61.69 3gkf s ILE 22 Cb -0.19 -4.22 0.00 0.00 -1.06 0.00 0.00 42.46 36.99 3gkf s ILE 22 CO 0.21 -0.11 1.26 -2.84 -0.10 0.00 0.00 174.94 173.36 3gkf s PRO 23 N 2.89 2.48 -0.29 2.79 0.02 -1.26 -5.01 135.00 136.61 3gkf s PRO 23 Ca 0.48 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 63.40 3gkf s PRO 23 Cb -0.18 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.51 3gkf s PRO 23 CO 0.12 -1.63 0.06 0.12 -0.33 0.00 0.00 177.00 175.34 3gkf s PHE 24 N -1.58 3.16 -0.45 6.54 5.36 -1.26 -5.00 117.98 124.75 3gkf s PHE 24 Ca 0.80 -1.19 0.22 0.00 -0.96 0.00 0.00 56.93 55.80 3gkf s PHE 24 Cb -0.34 -2.22 -0.07 0.00 -0.34 0.00 0.00 43.02 40.05 3gkf s PHE 24 CO 0.40 -0.64 0.90 0.25 -1.46 0.00 0.00 175.22 174.67 3gkf n THR 25 N 4.81 0.19 -1.60 0.12 -2.24 -1.26 -4.56 114.28 109.75 3gkf n THR 25 Ca -0.14 -0.33 -0.50 0.00 -2.27 0.00 0.00 64.05 60.80 3gkf n THR 25 Cb 0.47 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.79 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 -2.10 1.79 -4.67 3.22 7.94 -1.26 -4.72 117.00 117.20 3gkf n LEU 26 Ca 0.00 1.12 -0.44 0.00 -1.11 0.00 0.00 56.01 55.59 3gkf n LEU 26 Cb 0.48 -1.23 -0.04 0.00 0.53 0.00 0.00 43.42 43.16 3gkf n LEU 26 CO 0.42 -1.04 1.56 1.17 -1.11 0.00 0.00 177.39 178.38 3gkf n LYS 27 N 2.32 2.63 -1.08 1.96 4.81 -1.26 -1.74 118.16 125.80 3gkf n LYS 27 Ca 0.17 0.96 -0.03 0.00 -0.87 0.00 0.00 58.31 58.54 3gkf n LYS 27 Cb 0.22 -2.88 -0.01 0.00 0.02 0.00 0.00 35.03 32.38 3gkf n LYS 27 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gkf n GLY 28 N 4.48 0.53 0.64 3.14 0.00 -1.23 -3.74 105.19 109.02 3gkf n GLY 28 Ca 0.21 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.15 -1.40 2.02 0.00 0.00 -1.26 -3.95 105.19 99.45 3gkf n GLY 30 Ca 0.22 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 4.91 -2.56 4.61 0.00 -1.26 -4.94 120.51 119.83 3gkf n ALA 31 Ca 0.08 -3.75 -0.27 0.00 0.00 0.00 0.00 53.44 49.50 3gkf n ALA 31 Cb 0.32 -0.34 -0.09 0.00 0.00 0.00 0.00 19.45 19.34 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.60 2.96 0.88 0.00 1.43 -1.25 -5.11 118.68 113.99 3gkf s LEU 32 Ca 0.50 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 52.94 3gkf s LEU 32 Cb 0.41 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 45.08 3gkf s LEU 32 CO 0.04 0.12 1.13 -0.62 0.23 0.00 0.00 176.35 177.24 3gkf s ASP 33 N -2.72 3.33 0.17 2.29 2.15 -1.26 -4.69 116.67 115.94 3gkf s ASP 33 Ca 0.24 2.10 -0.16 0.00 0.43 0.00 0.00 52.55 55.16 3gkf s ASP 33 Cb -0.09 -2.56 0.11 0.00 -0.30 0.00 0.00 42.92 40.09 3gkf s ASP 33 CO 0.15 -2.83 1.67 -0.25 -0.17 0.00 0.00 175.17 173.74 3gkf h TRP 34 N -1.66 -0.20 -0.61 -5.34 7.01 -1.99 -0.37 115.95 112.79 3gkf h TRP 34 Ca -0.43 0.04 0.03 0.00 2.11 0.00 0.00 58.89 60.64 3gkf h TRP 34 Cb 1.26 0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 28.43 3gkf h TRP 34 CO 0.52 -0.17 0.37 0.78 -2.79 0.00 0.00 178.44 177.15 3gkf h GLY 35 N 0.01 0.87 1.11 2.65 0.00 -1.92 0.34 103.07 106.13 3gkf h GLY 35 Ca 0.21 -0.27 -0.15 0.00 0.00 0.00 0.00 47.33 47.11 3gkf h GLY 35 CO -0.43 0.22 -0.33 1.98 0.00 0.00 0.00 176.54 177.99 3gkf h MET 36 N 0.72 0.95 -0.42 4.80 1.85 -1.49 -1.02 114.93 120.31 3gkf h MET 36 Ca 0.25 -0.47 -0.04 0.00 -0.61 0.00 0.00 59.70 58.83 3gkf h MET 36 Cb 0.04 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 3gkf h MET 36 CO -0.11 1.13 0.09 1.96 -0.40 0.00 0.00 176.91 179.58 3gkf h GLN 37 N 0.78 0.64 -0.11 0.39 4.20 -0.47 -2.05 115.11 118.49 3gkf h GLN 37 Ca 0.08 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 3gkf h GLN 37 Cb 0.92 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 3gkf h GLN 37 CO 0.09 0.59 0.06 1.03 -0.67 0.00 0.00 178.83 179.93 3gkf h SER 38 N 0.62 0.14 -0.22 1.46 0.87 0.52 -0.41 113.55 116.53 3gkf h SER 38 Ca 0.14 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3gkf h SER 38 Cb 0.26 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3gkf h SER 38 CO -0.00 0.17 0.14 0.03 -0.53 0.00 0.00 176.83 176.64 3gkf h ARG 39 N 0.10 0.29 -0.90 2.24 3.08 -0.94 -1.30 114.38 116.96 3gkf h ARG 39 Ca 0.04 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.14 3gkf h ARG 39 Cb 0.06 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3gkf h ARG 39 CO -0.01 0.21 0.58 -0.07 -1.07 0.00 0.00 179.97 179.62 3gkf h LEU 40 N 0.28 0.89 -1.41 3.04 3.38 -1.24 -1.22 115.31 119.03 3gkf h LEU 40 Ca 0.08 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3gkf h LEU 40 Cb -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3gkf h LEU 40 CO -0.02 0.57 -0.30 0.28 0.09 0.00 0.00 178.44 179.07 3gkf h SER 41 N 1.01 0.00 -0.72 -0.43 0.02 -0.44 0.11 113.55 113.10 3gkf h SER 41 Ca 0.39 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.28 3gkf h SER 41 Cb 0.21 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3gkf h SER 41 CO -0.15 0.30 0.22 0.03 -1.14 0.00 0.00 176.83 176.09 3gkf h ARG 42 N 0.00 1.12 0.05 3.45 3.08 -0.09 -3.35 114.38 118.64 3gkf h ARG 42 Ca -0.00 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3gkf h ARG 42 Cb 0.56 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gkf h ARG 42 CO 0.04 0.96 -0.02 0.82 -1.07 0.00 0.00 179.97 180.70 3gkf h ILE 43 N 1.07 1.11 -3.87 2.04 2.04 -0.94 -3.44 117.51 115.51 3gkf h ILE 43 Ca 0.23 -1.62 -0.64 0.00 1.00 0.00 0.00 64.86 63.83 3gkf h ILE 43 Cb 0.31 2.01 -0.17 0.00 -0.74 0.00 0.00 36.82 38.23 3gkf h ILE 43 CO -0.01 0.34 -0.50 -0.36 0.00 0.00 0.00 178.15 177.63 3gkf s PHE 44 N -2.58 3.23 0.20 1.37 0.08 0.26 -4.52 117.98 116.03 3gkf s PHE 44 Ca -0.13 0.14 -0.32 0.00 0.12 0.00 0.00 56.93 56.74 3gkf s PHE 44 Cb -0.01 -2.39 -0.12 0.00 -0.57 0.00 0.00 43.02 39.93 3gkf s PHE 44 CO 0.48 -0.15 1.71 -1.71 -0.10 0.00 0.00 175.22 175.45 3gkf n ASN 45 N 5.03 3.92 -0.13 1.36 2.85 -0.20 -4.47 115.26 123.63 3gkf n ASN 45 Ca -0.14 1.06 -0.08 0.00 -0.11 0.00 0.00 54.58 55.31 3gkf n ASN 45 Cb 0.52 -1.56 0.07 0.00 1.24 0.00 0.00 39.78 40.05 3gkf n ASN 45 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3gkf h PRO 46 N 6.74 0.88 0.39 1.20 0.11 -1.90 2.85 132.00 142.26 3gkf h PRO 46 Ca -0.43 -0.33 -0.02 0.00 0.11 0.00 0.00 66.00 65.33 3gkf h PRO 46 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gkf h PRO 46 CO 0.95 0.97 -0.19 0.87 -0.21 0.00 0.00 178.00 180.39 3gkf h LYS 47 N 0.78 -0.50 0.00 1.05 1.79 -1.98 -3.33 116.57 114.38 3gkf h LYS 47 Ca 0.12 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 3gkf h LYS 47 Cb 0.68 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 3gkf h LYS 47 CO 0.05 -0.31 -1.21 0.25 -1.08 0.00 0.00 179.45 177.15 3gkf n THR 48 N -5.30 0.14 -2.13 -0.16 -2.24 -1.16 -4.98 114.28 98.45 3gkf n THR 48 Ca -0.11 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3gkf n THR 48 Cb 0.24 0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3gkf n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gkf n GLY 49 N 1.35 0.05 3.20 3.38 0.00 0.95 -4.97 105.19 109.17 3gkf n GLY 49 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.46 1.01 -0.01 1.61 1.02 -1.19 -4.76 119.74 112.96 3gkf s LYS 50 Ca 0.00 -1.39 -0.04 0.00 0.02 0.00 0.00 55.97 54.56 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 -0.31 0.08 -0.08 -0.92 0.00 0.00 175.35 174.12 3gkf s THR 51 N -4.04 0.05 -0.29 2.17 -1.32 -0.35 -1.03 115.64 110.83 3gkf s THR 51 Ca 0.24 -0.45 -0.08 0.00 -1.21 0.00 0.00 61.69 60.19 3gkf s THR 51 Cb 0.06 -0.27 -0.00 0.00 -1.51 0.00 0.00 72.50 70.78 3gkf s THR 51 CO 0.02 -0.25 0.10 -0.69 -2.21 0.00 0.00 174.62 171.60 3gkf s VAL 52 N -0.79 4.26 -0.17 5.08 1.01 -1.26 -2.39 120.40 126.14 3gkf s VAL 52 Ca -0.09 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3gkf s VAL 52 Cb -0.05 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.15 3gkf s VAL 52 CO 0.00 0.12 -0.02 -0.32 0.00 0.00 0.00 175.10 174.89 3gkf s MET 53 N 1.56 3.69 -0.50 2.72 0.00 -0.78 -0.62 119.30 125.37 3gkf s MET 53 Ca 0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 55.69 55.10 3gkf s MET 53 Cb -0.17 -2.98 0.12 0.00 0.00 0.00 0.00 34.83 31.80 3gkf s MET 53 CO 0.04 0.20 0.42 -1.17 0.00 0.00 0.00 175.02 174.51 3gkf s LEU 54 N 0.49 5.91 -0.26 4.11 2.96 0.10 -3.93 118.68 128.05 3gkf s LEU 54 Ca -0.02 -1.78 -0.11 0.00 -0.22 0.00 0.00 54.13 51.99 3gkf s LEU 54 Cb -0.14 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3gkf s LEU 54 CO 0.02 -0.76 0.20 0.00 -1.32 0.00 0.00 176.35 174.49 3gkf s ALA 55 N 1.51 3.56 -0.40 5.97 0.00 -1.26 -1.78 121.76 129.35 3gkf s ALA 55 Ca 0.04 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.12 3gkf s ALA 55 Cb -0.28 -2.45 0.43 0.00 0.00 0.00 0.00 23.12 20.82 3gkf s ALA 55 CO 0.02 -0.42 1.03 1.97 0.00 0.00 0.00 175.76 178.35 3gkf n PHE 56 N 4.79 2.52 0.87 0.00 1.16 0.97 -4.71 117.46 123.06 3gkf n PHE 56 Ca -0.14 -3.07 0.12 0.00 -1.87 0.00 0.00 57.45 52.49 3gkf n PHE 56 Cb 0.52 -0.22 0.20 0.00 -1.61 0.00 0.00 39.48 38.37 3gkf n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gkf n ASP 57 N -0.29 2.87 0.30 5.98 5.75 -1.22 -4.51 116.55 125.43 3gkf n ASP 57 Ca 0.27 -1.92 0.17 0.00 -0.01 0.00 0.00 54.79 53.30 3gkf n ASP 57 Cb 0.70 -0.08 0.96 0.00 -1.03 0.00 0.00 41.12 41.67 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 4.19 0.00 -0.16 2.11 -0.00 -1.92 0.23 115.15 119.59 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 0.90 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.31 3gkf h HIS 58 CO 0.08 0.02 0.39 0.78 -0.00 0.00 0.00 177.93 179.20 3gkf h GLY 59 N 0.17 0.00 1.50 2.45 0.00 -1.79 -1.64 103.07 103.76 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 0.33 0.10 0.00 0.00 0.00 176.54 176.97 3gkf h TYR 60 N 0.00 0.64 0.00 5.60 -0.00 -1.24 -2.04 116.97 119.93 3gkf h TYR 60 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.82 3gkf h TYR 60 Cb 0.85 -0.21 0.00 0.00 0.00 0.00 0.00 36.73 37.37 3gkf h TYR 60 CO 0.00 0.41 0.00 1.97 -0.00 0.00 0.00 178.16 180.54 3gkf n PHE 61 N -4.45 0.00 0.31 0.10 1.16 -1.03 -4.70 117.46 108.85 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 -0.04 0.00 -1.61 0.00 0.00 39.48 37.88 3gkf n PHE 61 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 3gkf n GLN 62 N -0.30 4.02 0.00 3.97 6.02 -0.65 -1.62 117.38 128.82 3gkf n GLN 62 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 3gkf n GLN 62 Cb 0.04 -0.89 0.00 0.00 1.02 0.00 0.00 30.24 30.40 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 1.28 -0.45 3.29 1.08 0.00 -0.78 -4.25 105.19 105.35 3gkf n GLY 63 Ca 0.01 -1.10 -0.38 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 2.01 -0.78 1.61 -0.02 -1.26 -4.02 135.00 132.54 3gkf n PRO 64 Ca 0.00 -2.40 -0.32 0.00 -2.02 0.00 0.00 63.50 58.76 3gkf n PRO 64 Cb 0.00 -3.34 0.16 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 6.55 0.45 -1.78 3.45 -1.04 -1.26 -4.66 114.28 115.99 3gkf n THR 65 Ca 0.48 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 62.01 3gkf n THR 65 Cb 0.43 -1.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.91 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 -2.50 2.60 0.00 12.58 2.01 -1.26 -1.18 115.64 127.89 3gkf s THR 66 Ca 0.67 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.85 3gkf s THR 66 Cb -0.24 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.16 3gkf s THR 66 CO 0.57 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.12 3gkf n GLY 67 N 4.12 1.66 0.66 4.40 0.00 -1.26 -4.81 105.19 109.96 3gkf n GLY 67 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 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 3.17 0.06 0.99 4.77 -0.32 -4.67 117.00 120.99 3gkf n LEU 68 Ca 0.00 -2.38 -0.11 0.00 -0.03 0.00 0.00 56.01 53.49 3gkf n LEU 68 Cb 0.00 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 40.72 3gkf n LEU 68 CO 0.00 0.69 0.73 -0.33 -1.33 0.00 0.00 177.39 177.16 3gkf h GLU 69 N 1.74 -0.30 -3.13 3.23 3.07 -1.79 -3.33 114.58 114.07 3gkf h GLU 69 Ca 0.00 0.02 -0.62 0.00 -0.50 0.00 0.00 59.36 58.26 3gkf h GLU 69 Cb 0.97 0.07 -0.41 0.00 -0.84 0.00 0.00 28.75 28.54 3gkf h GLU 69 CO 0.08 -0.20 -0.68 1.03 -1.40 0.00 0.00 179.01 177.84 3gkf s ARG 70 N -6.11 1.71 0.25 2.33 1.81 -1.26 -4.93 118.95 112.75 3gkf s ARG 70 Ca -0.15 -2.45 -0.04 0.00 -1.72 0.00 0.00 55.73 51.38 3gkf s ARG 70 Cb 0.09 -2.84 0.46 0.00 -0.45 0.00 0.00 34.95 32.21 3gkf s ARG 70 CO 0.66 -1.17 1.74 0.82 -0.68 0.00 0.00 175.30 176.68 3gkf h ILE 71 N 5.19 0.70 -0.03 1.52 1.08 -1.89 -0.63 117.51 123.46 3gkf h ILE 71 Ca -0.00 -0.17 0.01 0.00 -0.39 0.00 0.00 64.86 64.30 3gkf h ILE 71 Cb 0.89 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 3gkf h ILE 71 CO 0.59 0.09 0.03 -2.24 -0.69 0.00 0.00 178.15 175.93 3gkf h ASP 72 N 0.50 0.00 0.00 1.72 2.03 -1.92 -0.79 116.42 117.97 3gkf h ASP 72 Ca 0.42 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.49 3gkf h ASP 72 Cb 0.60 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.07 3gkf h ASP 72 CO -0.38 0.00 -1.64 -0.38 -1.03 0.00 0.00 179.24 175.81 3gkf n ILE 73 N -3.87 1.15 0.05 4.15 5.41 -0.82 -4.22 119.36 121.21 3gkf n ILE 73 Ca -0.02 -0.12 -0.13 0.00 1.00 0.00 0.00 62.75 63.48 3gkf n ILE 73 Cb 0.12 -1.86 -0.08 0.00 -0.71 0.00 0.00 39.64 37.10 3gkf n ILE 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 3gkf h ASN 74 N -0.68 -0.07 0.44 4.38 -1.24 -1.14 -3.36 115.58 113.91 3gkf h ASN 74 Ca -0.34 -0.17 -0.15 0.00 0.71 0.00 0.00 56.30 56.35 3gkf h ASN 74 Cb 1.20 0.02 -0.03 0.00 0.73 0.00 0.00 38.32 40.24 3gkf h ASN 74 CO -0.20 0.13 -1.70 -0.38 -1.29 0.00 0.00 177.43 173.99 3gkf n ILE 75 N -5.04 0.91 -0.22 2.57 2.08 -0.38 -4.38 119.36 114.89 3gkf n ILE 75 Ca -0.08 -0.67 0.02 0.00 0.56 0.00 0.00 62.75 62.58 3gkf n ILE 75 Cb 0.14 -0.48 0.14 0.00 -0.75 0.00 0.00 39.64 38.69 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 1.53 0.87 -0.08 -1.39 0.00 -1.48 0.13 119.26 118.84 3gkf h ALA 76 Ca -0.19 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 76 Cb 1.53 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3gkf h ALA 76 CO 0.03 -0.22 0.09 -1.35 0.00 0.00 0.00 179.25 177.80 3gkf h PRO 77 N 0.39 0.00 0.00 0.00 0.10 -1.76 -3.08 132.00 127.65 3gkf h PRO 77 Ca 0.35 0.00 -0.05 0.00 0.10 0.00 0.00 66.00 66.39 3gkf h PRO 77 Cb 0.49 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.58 3gkf h PRO 77 CO -0.36 0.00 -0.25 -0.07 0.10 0.00 0.00 178.00 177.42 3gkf h LEU 78 N 0.00 0.00 -0.35 2.35 3.38 -0.98 -3.38 115.31 116.33 3gkf h LEU 78 Ca 0.04 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.06 3gkf h LEU 78 Cb 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 3gkf h LEU 78 CO -0.00 0.25 0.06 -0.26 0.09 0.00 0.00 178.44 178.59 3gkf h PHE 79 N 0.00 0.10 -0.02 1.13 0.04 -1.54 -2.31 116.94 114.34 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 1.12 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 3gkf h PHE 79 CO 0.00 0.01 0.14 1.05 -0.60 0.00 0.00 178.31 178.91 3gkf h GLU 80 N 0.18 0.00 -0.64 1.51 4.11 -1.82 -0.05 114.58 117.87 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 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3gkf h GLU 80 CO -0.22 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.58 3gkf n HIS 81 N -3.12 1.57 -4.23 2.06 8.25 -0.87 -4.89 115.22 114.00 3gkf n HIS 81 Ca -0.02 -0.63 -0.30 0.00 -0.26 0.00 0.00 57.72 56.51 3gkf n HIS 81 Cb 0.21 -0.28 -0.10 0.00 1.12 0.00 0.00 29.99 30.94 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 -1.98 2.96 -0.00 -1.41 0.00 -0.03 -4.89 121.76 116.41 3gkf s ALA 82 Ca 0.52 -1.26 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 3gkf s ALA 82 Cb 0.34 -0.89 -0.25 0.00 0.00 0.00 0.00 23.12 22.33 3gkf s ALA 82 CO 0.24 0.63 1.07 -0.44 0.00 0.00 0.00 175.76 177.25 3gkf h ASP 83 N 3.55 0.55 -3.77 0.00 3.32 -1.16 -3.47 116.42 115.44 3gkf h ASP 83 Ca -0.49 -0.80 -0.20 0.00 0.02 0.00 0.00 57.03 55.57 3gkf h ASP 83 Cb 1.17 -0.17 -0.27 0.00 0.22 0.00 0.00 39.33 40.28 3gkf h ASP 83 CO 0.52 1.28 -0.56 0.54 -1.72 0.00 0.00 179.24 179.30 3gkf s VAL 84 N -3.07 -0.00 0.10 -1.35 0.11 -1.07 -4.06 120.40 111.06 3gkf s VAL 84 Ca -0.13 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.92 3gkf s VAL 84 Cb 0.03 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 3gkf s VAL 84 CO 0.83 0.00 0.27 -0.76 -3.33 0.00 0.00 175.10 172.11 3gkf s LEU 85 N 0.11 4.33 -0.11 2.54 1.43 -0.13 -0.72 118.68 126.13 3gkf s LEU 85 Ca -0.00 0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.41 3gkf s LEU 85 Cb -0.01 -3.04 0.04 0.00 0.03 0.00 0.00 46.19 43.20 3gkf s LEU 85 CO -0.00 0.12 0.01 -0.32 0.23 0.00 0.00 176.35 176.39 3gkf s MET 86 N -2.69 0.61 0.37 1.70 -2.45 -0.74 -0.32 119.30 115.79 3gkf s MET 86 Ca 0.36 -0.03 -0.07 0.00 -1.25 0.00 0.00 55.69 54.70 3gkf s MET 86 Cb -0.12 -1.30 0.02 0.00 1.25 0.00 0.00 34.83 34.68 3gkf s MET 86 CO 0.27 -0.40 0.60 0.00 1.05 0.00 0.00 175.02 176.55 3gkf s THR 88 N -2.68 4.40 0.35 0.00 -4.23 -1.26 -1.39 115.64 110.83 3gkf s THR 88 Ca 0.25 0.64 0.12 0.00 -1.18 0.00 0.00 61.69 61.52 3gkf s THR 88 Cb -0.02 -3.76 0.08 0.00 1.34 0.00 0.00 72.50 70.14 3gkf s THR 88 CO 0.17 -0.95 1.79 0.08 -0.54 0.00 0.00 174.62 175.18 3gkf h ARG 89 N -0.31 0.03 0.25 3.99 0.11 -1.97 0.58 114.38 117.05 3gkf h ARG 89 Ca -0.45 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 3gkf h ARG 89 Cb 1.21 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3gkf h ARG 89 CO 0.62 0.42 -0.12 0.78 0.10 0.00 0.00 179.97 181.78 3gkf h GLY 90 N 1.19 -0.36 1.03 0.08 0.00 -1.96 -1.72 103.07 101.34 3gkf h GLY 90 Ca -0.00 0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.39 3gkf h GLY 90 CO 0.05 -0.13 0.07 -2.22 0.00 0.00 0.00 176.54 174.31 3gkf h ILE 91 N -0.53 1.26 -0.30 2.60 1.08 -1.89 -2.31 117.51 117.42 3gkf h ILE 91 Ca -0.03 -1.02 0.04 0.00 -0.39 0.00 0.00 64.86 63.45 3gkf h ILE 91 Cb 0.39 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 3gkf h ILE 91 CO 0.06 0.37 0.09 0.25 -0.69 0.00 0.00 178.15 178.23 3gkf h LEU 92 N 0.86 0.08 -0.57 1.44 5.85 -0.82 -0.44 115.31 121.70 3gkf h LEU 92 Ca 0.17 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.81 3gkf h LEU 92 Cb 0.45 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3gkf h LEU 92 CO 0.02 0.08 -0.13 0.03 -0.34 0.00 0.00 178.44 178.10 3gkf h ARG 93 N 0.21 1.01 0.06 1.25 3.08 -1.16 -2.79 114.38 116.04 3gkf h ARG 93 Ca 0.14 -0.38 -0.21 0.00 0.07 0.00 0.00 59.98 59.59 3gkf h ARG 93 Cb 0.12 -0.06 0.02 0.00 0.08 0.00 0.00 29.97 30.13 3gkf h ARG 93 CO -0.15 1.06 -0.87 0.66 -1.07 0.00 0.00 179.97 179.60 3gkf h SER 94 N 0.89 0.66 0.00 7.04 4.64 -1.04 -3.41 113.55 122.33 3gkf h SER 94 Ca 0.13 -0.81 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 3gkf h SER 94 Cb 0.69 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3gkf h SER 94 CO 0.05 1.40 0.00 1.33 -0.87 0.00 0.00 176.83 178.74 3gkf n VAL 95 N -4.04 0.08 -3.63 0.95 0.24 -0.21 -4.98 118.33 106.74 3gkf n VAL 95 Ca -0.12 -0.18 -0.38 0.00 -2.04 0.00 0.00 64.34 61.62 3gkf n VAL 95 Cb 0.81 1.47 -0.11 0.00 -1.47 0.00 0.00 33.84 34.54 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 -0.08 4.97 0.15 3.34 1.01 -1.05 -4.71 120.40 124.03 3gkf s VAL 96 Ca 0.00 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 3gkf s VAL 96 Cb 0.00 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 3gkf s VAL 96 CO 0.00 0.22 1.23 -2.84 0.00 0.00 0.00 175.10 173.71 3gkf s PRO 97 N 1.70 4.45 0.37 2.72 0.02 -1.26 -4.72 135.00 138.28 3gkf s PRO 97 Ca 0.06 1.88 0.11 0.00 0.02 0.00 0.00 61.00 63.08 3gkf s PRO 97 Cb -0.16 -3.26 0.89 0.00 0.02 0.00 0.00 34.50 31.98 3gkf s PRO 97 CO 0.08 -0.18 1.87 -1.35 -0.33 0.00 0.00 177.00 177.09 3gkf h PRO 98 N 5.83 0.60 0.00 5.54 0.11 -1.95 0.07 132.00 142.19 3gkf h PRO 98 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3gkf h PRO 98 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gkf h PRO 98 CO 0.78 0.39 0.00 0.00 -0.21 0.00 0.00 178.00 178.96 3gkf n ALA 99 N -2.45 1.91 0.26 -0.75 0.00 -1.26 -2.39 120.51 115.83 3gkf n ALA 99 Ca 0.17 -0.08 0.18 0.00 0.00 0.00 0.00 53.44 53.71 3gkf n ALA 99 Cb 0.51 -1.24 0.91 0.00 0.00 0.00 0.00 19.45 19.63 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 0.32 -5.72 0.00 2.02 -1.35 -3.45 112.91 104.74 3gkf h THR 100 Ca 0.00 0.00 -0.41 0.00 0.77 0.00 0.00 66.41 66.77 3gkf h THR 100 Cb 0.08 0.86 -0.09 0.00 -1.74 0.00 0.00 68.15 67.26 3gkf h THR 100 CO 0.00 0.00 -0.62 -3.20 0.37 0.00 0.00 175.52 172.07 3gkf n ASN 101 N -3.54 -3.83 -4.43 4.18 5.15 -1.00 -4.88 115.26 106.90 3gkf n ASN 101 Ca -0.00 -0.52 -0.30 0.00 -0.60 0.00 0.00 54.58 53.16 3gkf n ASN 101 Cb 0.26 -3.15 -0.13 0.00 -0.53 0.00 0.00 39.78 36.24 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 -6.21 1.76 0.44 1.20 6.06 -1.26 -5.11 118.95 115.83 3gkf s ARG 102 Ca 0.48 -1.16 -0.25 0.00 -2.50 0.00 0.00 55.73 52.30 3gkf s ARG 102 Cb -0.25 -2.05 -0.08 0.00 0.06 0.00 0.00 34.95 32.62 3gkf s ARG 102 CO 0.59 0.49 1.32 -2.14 -2.50 0.00 0.00 175.30 173.07 3gkf s PRO 103 N -1.78 3.79 0.08 5.12 0.02 -1.26 -4.84 135.00 136.14 3gkf s PRO 103 Ca 0.15 2.19 0.09 0.00 0.02 0.00 0.00 61.00 63.45 3gkf s PRO 103 Cb -0.10 -2.65 -0.03 0.00 0.02 0.00 0.00 34.50 31.74 3gkf s PRO 103 CO 0.06 -0.65 -0.24 0.14 -0.33 0.00 0.00 177.00 175.98 3gkf s VAL 104 N -1.28 2.00 -0.32 3.83 -7.23 -1.26 -0.95 120.40 115.19 3gkf s VAL 104 Ca 0.60 -1.47 -0.04 0.00 -1.81 0.00 0.00 61.98 59.27 3gkf s VAL 104 Cb -0.39 -1.75 0.04 0.00 0.56 0.00 0.00 36.38 34.85 3gkf s VAL 104 CO 0.49 0.19 0.04 -0.69 -0.31 0.00 0.00 175.10 174.83 3gkf s VAL 105 N -0.92 3.33 0.07 1.32 1.01 0.57 -1.00 120.40 124.78 3gkf s VAL 105 Ca 0.11 -1.27 -0.30 0.00 0.00 0.00 0.00 61.98 60.51 3gkf s VAL 105 Cb -0.10 -2.90 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 3gkf s VAL 105 CO 0.03 -0.13 1.16 -0.76 0.00 0.00 0.00 175.10 175.40 3gkf s LEU 106 N 1.32 4.39 -0.06 3.92 1.43 -0.33 -3.34 118.68 126.01 3gkf s LEU 106 Ca -0.04 1.99 -0.30 0.00 -1.03 0.00 0.00 54.13 54.75 3gkf s LEU 106 Cb -0.20 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.41 3gkf s LEU 106 CO 0.01 -0.41 1.23 -0.60 0.23 0.00 0.00 176.35 176.81 3gkf s ARG 107 N 0.83 4.33 -0.10 1.70 6.06 -0.48 0.01 118.95 131.30 3gkf s ARG 107 Ca 0.57 1.70 0.15 0.00 -2.50 0.00 0.00 55.73 55.64 3gkf s ARG 107 Cb -0.29 -3.58 0.22 0.00 0.06 0.00 0.00 34.95 31.36 3gkf s ARG 107 CO 0.30 -0.49 1.12 0.00 -2.50 0.00 0.00 175.30 173.73 3gkf n ALA 108 N 5.38 2.20 -2.44 6.12 0.00 0.30 -4.54 120.51 127.53 3gkf n ALA 108 Ca 0.11 -2.25 -0.22 0.00 0.00 0.00 0.00 53.44 51.08 3gkf n ALA 108 Cb 0.46 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.44 3.15 0.00 0.00 1.04 -1.22 0.72 113.70 114.95 3gkf s SER 109 Ca 0.25 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.58 3gkf s SER 109 Cb 0.21 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.10 3gkf s SER 109 CO 0.02 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3gkf n GLY 110 N -0.58 -0.62 2.14 7.32 0.00 -0.53 -4.63 105.19 108.30 3gkf n GLY 110 Ca -0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.02 -2.49 4.61 0.00 -1.26 -0.37 120.51 120.98 3gkf n ALA 111 Ca 0.00 0.02 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 3gkf n ALA 111 Cb 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.29 4.94 0.19 0.00 4.22 -1.22 -4.75 114.94 116.02 3gkf s ASN 112 Ca 0.00 -0.67 0.03 0.00 -2.14 0.00 0.00 52.86 50.08 3gkf s ASN 112 Cb 0.00 -0.80 -0.05 0.00 1.28 0.00 0.00 41.25 41.68 3gkf s ASN 112 CO 0.00 -0.36 -0.03 -0.44 -2.04 0.00 0.00 177.10 174.23 3gkf s SER 113 N -3.93 1.59 0.00 3.54 0.01 -1.26 -4.46 113.70 109.19 3gkf s SER 113 Ca 0.40 -1.14 0.21 0.00 1.31 0.00 0.00 55.95 56.73 3gkf s SER 113 Cb -0.04 0.04 1.16 0.00 0.21 0.00 0.00 66.02 67.39 3gkf s SER 113 CO 0.25 -0.48 1.65 2.30 0.41 0.00 0.00 173.24 177.37 3gkf n ILE 114 N -0.29 0.19 1.24 1.44 -5.35 -0.64 -2.94 119.36 113.01 3gkf n ILE 114 Ca -0.07 0.05 0.13 0.00 -0.27 0.00 0.00 62.75 62.58 3gkf n ILE 114 Cb 0.63 -0.71 0.34 0.00 -1.74 0.00 0.00 39.64 38.16 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 -1.14 1.31 0.00 7.28 4.77 -1.26 -4.96 117.00 123.00 3gkf n LEU 115 Ca 0.13 -0.40 -0.03 0.00 -0.03 0.00 0.00 56.01 55.68 3gkf n LEU 115 Cb 0.12 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3gkf n LEU 115 CO 0.14 0.24 0.01 0.00 -1.33 0.00 0.00 177.39 176.44 3gkf n ALA 116 N -0.36 0.04 -1.71 -1.18 0.00 -1.15 -5.10 120.51 111.05 3gkf n ALA 116 Ca 0.13 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3gkf n ALA 116 Cb 0.37 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 3gkf n ALA 116 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gkf n GLU 117 N -0.11 2.76 -0.07 0.00 4.07 -1.26 -4.72 120.64 121.32 3gkf n GLU 117 Ca 0.01 1.00 -0.05 0.00 -0.06 0.00 0.00 57.16 58.06 3gkf n GLU 117 Cb 0.10 -2.86 0.17 0.00 -0.06 0.00 0.00 31.44 28.79 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 7.34 0.68 0.00 4.31 5.85 -1.96 -2.97 115.31 128.56 3gkf h LEU 118 Ca -0.44 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.08 3gkf h LEU 118 Cb 1.21 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3gkf h LEU 118 CO 0.95 0.82 0.00 -1.54 -0.34 0.00 0.00 178.44 178.33 3gkf n SER 119 N -4.18 0.00 -4.07 1.25 3.41 -1.26 -4.55 113.62 104.22 3gkf n SER 119 Ca 0.01 -1.05 -0.42 0.00 -0.26 0.00 0.00 58.87 57.15 3gkf n SER 119 Cb 0.35 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 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 4.40 -4.60 4.04 5.15 -1.12 -4.55 115.26 117.61 3gkf n ASN 120 Ca 0.22 -2.89 -0.30 0.00 -0.60 0.00 0.00 54.58 51.00 3gkf n ASN 120 Cb 0.10 -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 3.29 2.30 0.30 1.20 2.02 -1.26 -3.39 118.70 123.16 3gkf s GLU 121 Ca 0.49 -0.92 0.04 0.00 0.02 0.00 0.00 54.97 54.60 3gkf s GLU 121 Cb 0.09 -2.39 -0.06 0.00 0.10 0.00 0.00 34.13 31.87 3gkf s GLU 121 CO -0.02 0.54 0.02 0.00 0.02 0.00 0.00 175.26 175.82 3gkf s ALA 122 N -1.18 2.27 0.17 5.21 0.00 0.50 -4.71 121.76 124.03 3gkf s ALA 122 Ca 0.21 -1.98 -0.31 0.00 0.00 0.00 0.00 51.96 49.89 3gkf s ALA 122 Cb -0.11 0.52 -0.09 0.00 0.00 0.00 0.00 23.12 23.43 3gkf s ALA 122 CO 0.13 -0.24 1.45 0.08 0.00 0.00 0.00 175.76 177.18 3gkf s VAL 123 N -3.24 2.92 -1.79 0.00 1.01 -1.26 -1.45 120.40 116.58 3gkf s VAL 123 Ca 0.33 0.70 0.17 0.00 0.00 0.00 0.00 61.98 63.18 3gkf s VAL 123 Cb 0.07 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 33.06 3gkf s VAL 123 CO 0.14 0.07 0.95 0.00 0.00 0.00 0.00 175.10 176.26 3gkf n ALA 124 N 3.39 2.90 -3.48 5.51 0.00 0.22 -4.83 120.51 124.23 3gkf n ALA 124 Ca 0.10 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.81 3gkf n ALA 124 Cb 0.41 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.81 -0.60 0.43 0.00 0.05 -1.26 -4.94 118.68 110.55 3gkf s LEU 125 Ca 0.16 0.37 -0.21 0.00 0.05 0.00 0.00 54.13 54.50 3gkf s LEU 125 Cb 0.14 2.53 -0.10 0.00 -2.05 0.00 0.00 46.19 46.70 3gkf s LEU 125 CO 0.33 -0.76 0.97 -0.94 -0.55 0.00 0.00 176.35 175.40 3gkf s SER 126 N -1.92 6.87 0.53 1.48 1.04 -1.26 -4.91 113.70 115.53 3gkf s SER 126 Ca -0.05 1.76 0.20 0.00 0.48 0.00 0.00 55.95 58.34 3gkf s SER 126 Cb -0.00 -2.55 1.36 0.00 0.10 0.00 0.00 66.02 64.93 3gkf s SER 126 CO -0.01 -0.41 2.11 -0.03 0.98 0.00 0.00 173.24 175.88 3gkf h MET 127 N 2.00 0.00 -0.47 4.02 4.05 -1.97 -0.94 114.93 121.63 3gkf h MET 127 Ca -0.49 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.03 3gkf h MET 127 Cb 1.19 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.90 3gkf h MET 127 CO 0.61 0.00 -0.18 0.22 0.23 0.00 0.00 176.91 177.80 3gkf h ASP 128 N 0.00 -0.62 0.35 1.39 3.58 -1.98 0.26 116.42 119.41 3gkf h ASP 128 Ca 0.07 0.16 -0.18 0.00 0.42 0.00 0.00 57.03 57.50 3gkf h ASP 128 Cb 0.29 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 3gkf h ASP 128 CO -0.00 -0.21 -0.72 -0.78 -2.88 0.00 0.00 179.24 174.65 3gkf h ASP 129 N -0.07 0.38 -0.77 2.28 3.58 -1.58 -1.50 116.42 118.74 3gkf h ASP 129 Ca 0.22 -0.25 0.01 0.00 0.42 0.00 0.00 57.03 57.44 3gkf h ASP 129 Cb 0.42 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.31 3gkf h ASP 129 CO -0.52 0.98 0.50 0.00 -2.88 0.00 0.00 179.24 177.32 3gkf h ALA 130 N 1.02 0.98 -0.43 -0.78 0.00 -0.50 0.84 119.26 120.38 3gkf h ALA 130 Ca -0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3gkf h ALA 130 Cb 1.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3gkf h ALA 130 CO 0.12 0.36 -0.23 0.28 0.00 0.00 0.00 179.25 179.78 3gkf h VAL 131 N 1.01 1.27 -0.02 0.00 2.07 -0.45 -2.07 116.25 118.06 3gkf h VAL 131 Ca 0.29 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3gkf h VAL 131 Cb -0.08 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3gkf h VAL 131 CO -0.08 0.46 -0.01 -0.09 0.02 0.00 0.00 177.57 177.88 3gkf h ARG 132 N 0.76 0.03 -0.32 1.57 2.43 -0.10 -1.72 114.38 117.03 3gkf h ARG 132 Ca 0.10 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3gkf h ARG 132 Cb 0.77 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3gkf h ARG 132 CO 0.06 0.05 0.00 1.28 -1.51 0.00 0.00 179.97 179.85 3gkf n LEU 133 N -4.51 2.61 -3.58 3.80 4.77 0.16 -4.95 117.00 115.29 3gkf n LEU 133 Ca -0.03 -1.15 -0.22 0.00 -0.03 0.00 0.00 56.01 54.58 3gkf n LEU 133 Cb 0.11 -0.21 0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3gkf n LEU 133 CO 0.34 0.57 0.18 -3.20 -1.33 0.00 0.00 177.39 173.96 3gkf n ASN 134 N 0.93 -4.71 -4.80 -1.43 5.15 -0.65 -4.96 115.26 104.80 3gkf n ASN 134 Ca 0.18 -0.60 -0.32 0.00 -0.60 0.00 0.00 54.58 53.23 3gkf n ASN 134 Cb 0.46 -4.92 0.03 0.00 -0.53 0.00 0.00 39.78 34.83 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 -3.68 5.43 0.18 1.20 0.01 -0.84 -4.76 113.70 111.24 3gkf s SER 135 Ca 0.39 1.82 0.22 0.00 1.31 0.00 0.00 55.95 59.68 3gkf s SER 135 Cb -0.18 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 3gkf s SER 135 CO 0.74 -1.41 1.00 0.00 0.41 0.00 0.00 173.24 173.99 3gkf s ALA 137 N -3.29 -1.94 0.04 0.00 0.00 -1.22 -4.08 121.76 111.27 3gkf s ALA 137 Ca -0.01 0.91 0.08 0.00 0.00 0.00 0.00 51.96 52.94 3gkf s ALA 137 Cb 0.09 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.50 3gkf s ALA 137 CO 0.79 -0.82 -0.23 0.14 0.00 0.00 0.00 175.76 175.64 3gkf s VAL 138 N -2.82 1.87 0.03 0.00 -7.23 -0.85 -1.18 120.40 110.21 3gkf s VAL 138 Ca 0.10 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.06 3gkf s VAL 138 Cb 0.00 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.31 3gkf s VAL 138 CO -0.04 0.28 -0.19 0.00 -0.31 0.00 0.00 175.10 174.85 3gkf s ALA 139 N -0.79 1.56 0.12 1.32 0.00 0.10 0.42 121.76 124.49 3gkf s ALA 139 Ca 0.09 -0.95 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 3gkf s ALA 139 Cb -0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3gkf s ALA 139 CO 0.02 0.35 0.16 0.00 0.00 0.00 0.00 175.76 176.29 3gkf s ALA 140 N -0.74 0.21 -0.08 0.00 0.00 -0.18 0.11 121.76 121.08 3gkf s ALA 140 Ca 0.06 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 3gkf s ALA 140 Cb -0.08 0.68 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 3gkf s ALA 140 CO 0.01 -0.54 0.20 -0.65 0.00 0.00 0.00 175.76 174.79 3gkf s GLN 141 N -3.95 3.54 -0.04 0.00 -1.52 -1.26 -0.38 119.66 116.06 3gkf s GLN 141 Ca 0.14 -0.04 0.04 0.00 -1.95 0.00 0.00 55.36 53.55 3gkf s GLN 141 Cb 0.05 -3.18 -0.03 0.00 -0.22 0.00 0.00 33.01 29.64 3gkf s GLN 141 CO -0.04 0.74 -0.13 0.54 -0.25 0.00 0.00 175.29 176.15 3gkf s VAL 142 N -1.09 3.13 -0.59 1.09 0.11 0.16 -4.74 120.40 118.48 3gkf s VAL 142 Ca 0.19 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.54 3gkf s VAL 142 Cb -0.13 -2.25 0.26 0.00 -1.53 0.00 0.00 36.38 32.72 3gkf s VAL 142 CO 0.08 0.54 0.72 -1.22 -3.33 0.00 0.00 175.10 171.89 3gkf n TYR 143 N 2.14 2.90 -1.73 1.54 4.01 -1.26 -0.53 117.16 124.23 3gkf n TYR 143 Ca -0.17 -4.03 -0.41 0.00 -0.16 0.00 0.00 57.90 53.12 3gkf n TYR 143 Cb 0.52 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 0.87 2.30 0.00 -0.72 2.08 -1.26 -1.83 119.36 120.80 3gkf n ILE 144 Ca 0.28 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.09 3gkf n ILE 144 Cb 0.43 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.59 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 0.66 2.95 3.93 7.39 0.00 -1.26 -4.94 105.19 113.93 3gkf n GLY 145 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3gkf n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gkf s SER 146 N -1.87 4.30 0.30 1.61 0.01 -0.76 -4.98 113.70 112.32 3gkf s SER 146 Ca 0.00 0.36 -0.00 0.00 1.31 0.00 0.00 55.95 57.61 3gkf s SER 146 Cb 0.00 -0.80 0.46 0.00 0.21 0.00 0.00 66.02 65.89 3gkf s SER 146 CO 0.00 -1.95 1.87 -0.08 0.41 0.00 0.00 173.24 173.49 3gkf h GLU 147 N -0.91 0.82 -0.82 12.44 4.81 -1.94 -2.97 114.58 126.01 3gkf h GLU 147 Ca -0.44 -0.14 -0.52 0.00 -0.13 0.00 0.00 59.36 58.14 3gkf h GLU 147 Cb 1.29 -0.14 -0.28 0.00 0.63 0.00 0.00 28.75 30.25 3gkf h GLU 147 CO 0.53 0.70 0.30 0.66 -0.73 0.00 0.00 179.01 180.47 3gkf n TYR 148 N -4.31 2.67 0.05 0.92 4.01 -1.26 -4.68 117.16 114.56 3gkf n TYR 148 Ca 0.04 -2.35 -0.00 0.00 -0.16 0.00 0.00 57.90 55.43 3gkf n TYR 148 Cb 0.18 -0.94 0.30 0.00 -0.31 0.00 0.00 39.34 38.56 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 1.63 0.38 0.29 -0.72 4.81 -1.66 -1.84 114.58 117.47 3gkf h GLU 149 Ca 0.49 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3gkf h GLU 149 Cb 1.54 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.88 3gkf h GLU 149 CO 1.09 0.54 -0.14 1.25 -0.73 0.00 0.00 179.01 181.02 3gkf h HIS 150 N 0.36 -0.36 -0.61 0.92 2.76 -1.87 -2.45 115.15 113.90 3gkf h HIS 150 Ca 0.07 -0.01 0.07 0.00 -2.20 0.00 0.00 60.37 58.30 3gkf h HIS 150 Cb 0.48 0.12 -0.06 0.00 1.55 0.00 0.00 27.41 29.50 3gkf h HIS 150 CO 0.01 -0.14 0.29 0.37 -1.30 0.00 0.00 177.93 177.16 3gkf h GLN 151 N -0.50 0.52 -0.99 5.26 5.75 -1.89 -1.21 115.11 122.05 3gkf h GLN 151 Ca -0.04 -0.03 0.07 0.00 -0.15 0.00 0.00 58.65 58.49 3gkf h GLN 151 Cb 0.37 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 28.74 3gkf h GLN 151 CO 0.06 0.35 0.64 0.66 -2.65 0.00 0.00 178.83 177.89 3gkf h SER 152 N 0.54 1.03 -0.12 -0.69 4.64 -1.10 0.29 113.55 118.13 3gkf h SER 152 Ca 0.28 0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.55 3gkf h SER 152 Cb 0.25 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3gkf h SER 152 CO -0.22 0.66 -0.18 0.40 -0.87 0.00 0.00 176.83 176.62 3gkf h ILE 153 N 1.16 1.37 -0.97 0.95 2.04 -0.96 -2.64 117.51 118.46 3gkf h ILE 153 Ca 0.43 -1.40 0.23 0.00 1.00 0.00 0.00 64.86 65.12 3gkf h ILE 153 Cb 0.17 2.00 -0.12 0.00 -0.74 0.00 0.00 36.82 38.13 3gkf h ILE 153 CO -0.17 0.41 0.54 0.11 0.00 0.00 0.00 178.15 179.04 3gkf h LYS 154 N -0.07 0.55 -0.44 2.37 1.57 -0.28 0.38 116.57 120.64 3gkf h LYS 154 Ca 0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3gkf h LYS 154 Cb 0.73 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 3gkf h LYS 154 CO 0.04 0.36 0.26 -0.91 -0.57 0.00 0.00 179.45 178.64 3gkf h ASN 155 N 0.56 0.43 -0.18 0.86 2.35 -0.26 0.40 115.58 119.75 3gkf h ASN 155 Ca 0.61 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.35 3gkf h ASN 155 Cb 1.12 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 3gkf h ASN 155 CO -0.47 0.31 0.08 0.40 -1.65 0.00 0.00 177.43 176.10 3gkf h ILE 156 N 0.53 1.14 -0.38 2.81 1.08 -0.08 -1.81 117.51 120.79 3gkf h ILE 156 Ca 0.17 -0.41 0.08 0.00 -0.39 0.00 0.00 64.86 64.31 3gkf h ILE 156 Cb 0.00 1.09 -0.08 0.00 -3.07 0.00 0.00 36.82 34.76 3gkf h ILE 156 CO -0.08 0.13 -0.21 0.40 -0.69 0.00 0.00 178.15 177.71 3gkf h ILE 157 N 0.15 0.41 -0.37 -0.67 2.04 -0.23 -0.03 117.51 118.81 3gkf h ILE 157 Ca 0.06 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.87 3gkf h ILE 157 Cb 0.14 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3gkf h ILE 157 CO -0.01 0.00 0.03 -0.61 0.00 0.00 0.00 178.15 177.57 3gkf h GLN 158 N -0.14 0.56 -0.33 2.37 4.15 -0.75 0.72 115.11 121.69 3gkf h GLN 158 Ca 0.19 -0.11 -0.15 0.00 0.77 0.00 0.00 58.65 59.34 3gkf h GLN 158 Cb 0.43 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3gkf h GLN 158 CO -0.47 0.56 -0.41 -0.07 -1.93 0.00 0.00 178.83 176.51 3gkf h LEU 159 N 0.54 0.86 -0.48 -2.39 3.38 -0.55 -2.42 115.31 114.24 3gkf h LEU 159 Ca 0.12 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 3gkf h LEU 159 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3gkf h LEU 159 CO 0.01 1.15 0.06 0.58 0.09 0.00 0.00 178.44 180.32 3gkf h VAL 160 N 0.65 1.25 -0.54 1.22 2.07 -0.47 0.29 116.25 120.73 3gkf h VAL 160 Ca 0.05 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.67 3gkf h VAL 160 Cb 0.97 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 3gkf h VAL 160 CO 0.09 0.34 0.22 0.44 0.02 0.00 0.00 177.57 178.68 3gkf h ASP 161 N 0.69 0.26 -0.22 0.57 3.32 -0.76 -0.70 116.42 119.57 3gkf h ASP 161 Ca 0.14 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3gkf h ASP 161 Cb 0.43 0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 3gkf h ASP 161 CO 0.01 0.17 -0.25 0.00 -1.72 0.00 0.00 179.24 177.46 3gkf h ALA 162 N 1.34 0.32 -0.35 3.45 0.00 -1.30 -3.24 119.26 119.48 3gkf h ALA 162 Ca 0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gkf h ALA 162 Cb 0.25 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3gkf h ALA 162 CO -0.23 0.30 -0.00 0.78 0.00 0.00 0.00 179.25 180.09 3gkf h GLY 163 N 0.24 0.59 2.00 0.00 0.00 -0.04 -1.89 103.07 103.96 3gkf h GLY 163 Ca 0.03 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 3gkf h GLY 163 CO 0.06 0.33 -0.28 -0.33 0.00 0.00 0.00 176.54 176.32 3gkf h MET 164 N 0.52 0.00 0.00 4.80 2.07 -1.19 0.67 114.93 121.80 3gkf h MET 164 Ca 0.11 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.72 3gkf h MET 164 Cb 0.34 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.07 3gkf h MET 164 CO 0.01 0.28 -0.10 0.87 1.07 0.00 0.00 176.91 179.04 3gkf h LYS 165 N 0.00 0.00 0.00 1.72 1.57 -1.36 -3.36 116.57 115.14 3gkf h LYS 165 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gkf h LYS 165 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3gkf h LYS 165 CO 0.04 0.10 0.00 1.55 -0.57 0.00 0.00 179.45 180.57 3gkf n VAL 166 N -3.33 0.00 -0.58 0.50 3.14 -0.36 -5.02 118.33 112.68 3gkf n VAL 166 Ca -0.01 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 3gkf n VAL 166 Cb 0.30 1.17 0.00 0.00 -1.06 0.00 0.00 33.84 34.25 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 0.81 3.51 7.55 0.00 0.22 -4.98 105.19 112.63 3gkf n GLY 167 Ca 0.00 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.28 3.79 0.61 1.61 0.00 -0.08 -3.97 119.30 119.98 3gkf s MET 168 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 55.69 55.12 3gkf s MET 168 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 34.83 31.37 3gkf s MET 168 CO 0.00 -0.15 1.09 -2.14 0.00 0.00 0.00 175.02 173.82 3gkf s PRO 169 N 1.57 3.11 -0.07 4.11 0.02 -1.26 -4.34 135.00 138.14 3gkf s PRO 169 Ca 0.06 1.36 0.04 0.00 0.02 0.00 0.00 61.00 62.49 3gkf s PRO 169 Cb -0.15 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3gkf s PRO 169 CO 0.06 -1.00 -0.19 0.99 -0.33 0.00 0.00 177.00 176.53 3gkf s THR 170 N -2.27 2.60 -0.20 0.99 2.01 -1.26 -2.01 115.64 115.50 3gkf s THR 170 Ca 0.67 -0.87 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 3gkf s THR 170 Cb -0.19 -2.00 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 3gkf s THR 170 CO 0.36 0.57 0.04 -0.32 -0.69 0.00 0.00 174.62 174.58 3gkf s MET 171 N -0.24 3.79 -0.19 4.92 1.75 0.17 -1.07 119.30 128.44 3gkf s MET 171 Ca -0.00 -0.43 -0.07 0.00 -1.25 0.00 0.00 55.69 53.94 3gkf s MET 171 Cb -0.13 -3.18 -0.04 0.00 2.84 0.00 0.00 34.83 34.32 3gkf s MET 171 CO 0.03 0.11 0.06 0.00 -0.65 0.00 0.00 175.02 174.56 3gkf s ALA 172 N 0.79 3.36 -0.11 4.11 0.00 -0.27 -1.01 121.76 128.63 3gkf s ALA 172 Ca 0.02 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3gkf s ALA 172 Cb -0.14 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.05 3gkf s ALA 172 CO 0.02 0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.94 3gkf s VAL 173 N 0.46 3.79 -0.43 0.00 1.01 0.49 -0.90 120.40 124.82 3gkf s VAL 173 Ca 0.03 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 3gkf s VAL 173 Cb -0.13 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3gkf s VAL 173 CO 0.01 0.56 0.65 0.42 0.00 0.00 0.00 175.10 176.74 3gkf s THR 174 N -0.32 4.82 0.05 3.92 -4.23 -0.92 0.38 115.64 119.34 3gkf s THR 174 Ca 0.05 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 3gkf s THR 174 Cb -0.12 -4.20 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 3gkf s THR 174 CO 0.02 -0.57 0.25 -0.83 -0.54 0.00 0.00 174.62 172.96 3gkf s GLY 175 N 1.98 2.21 0.00 3.99 0.00 0.31 -4.84 107.32 110.98 3gkf s GLY 175 Ca 0.23 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3gkf s GLY 175 CO 0.19 -0.62 0.00 -0.62 0.00 0.00 0.00 173.10 172.05 3gkf n VAL 176 N 0.59 0.00 -2.21 1.40 0.31 -1.26 -4.39 118.33 112.76 3gkf n VAL 176 Ca -0.07 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.22 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 -4.24 5.55 0.63 -1.26 -5.07 116.66 112.74 3gkf n ARG 182 Ca 0.00 -0.87 -0.28 0.00 -0.92 0.00 0.00 57.85 55.78 3gkf n ARG 182 Cb 0.00 0.43 -0.04 0.00 0.45 0.00 0.00 32.46 33.30 3gkf n ARG 182 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3gkf s ASP 183 N -0.84 4.42 0.13 6.15 -4.77 -1.26 -4.97 116.67 115.53 3gkf s ASP 183 Ca 0.03 -1.37 -0.22 0.00 -3.30 0.00 0.00 52.55 47.69 3gkf s ASP 183 Cb 0.15 0.32 -0.02 0.00 -1.09 0.00 0.00 42.92 42.28 3gkf s ASP 183 CO -0.04 -0.93 1.67 -0.61 0.70 0.00 0.00 175.17 175.96 3gkf h GLN 184 N 1.07 -0.18 -0.98 2.11 -0.00 -1.92 -1.70 115.11 113.51 3gkf h GLN 184 Ca -0.40 0.01 0.15 0.00 -0.00 0.00 0.00 58.65 58.41 3gkf h GLN 184 Cb 1.30 0.04 -0.09 0.00 0.00 0.00 0.00 27.48 28.73 3gkf h GLN 184 CO 0.65 -0.12 0.62 0.07 0.00 0.00 0.00 178.83 180.05 3gkf h ARG 185 N -0.19 0.84 0.37 1.69 0.11 -1.94 0.21 114.38 115.48 3gkf h ARG 185 Ca 0.09 -0.05 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 3gkf h ARG 185 Cb 0.32 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.21 3gkf h ARG 185 CO -0.24 0.56 -0.18 -0.92 0.10 0.00 0.00 179.97 179.29 3gkf h TYR 186 N 0.87 -0.46 -0.22 4.08 3.20 -1.73 -2.52 116.97 120.18 3gkf h TYR 186 Ca 0.51 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.35 3gkf h TYR 186 Cb 0.66 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3gkf h TYR 186 CO -0.00 -0.20 0.03 0.74 -1.64 0.00 0.00 178.16 177.09 3gkf h PHE 187 N -0.65 0.31 0.06 -3.82 0.04 -0.51 -1.42 116.94 110.95 3gkf h PHE 187 Ca -0.05 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.72 3gkf h PHE 187 Cb 0.47 -0.10 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 3gkf h PHE 187 CO -0.01 0.30 -0.17 0.77 -0.60 0.00 0.00 178.31 178.59 3gkf h SER 188 N 0.31 -0.49 -0.04 2.17 0.02 -0.58 0.27 113.55 115.21 3gkf h SER 188 Ca 0.07 0.06 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 3gkf h SER 188 Cb 0.16 0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 3gkf h SER 188 CO -0.00 -0.24 -0.27 0.25 -1.14 0.00 0.00 176.83 175.43 3gkf h LEU 189 N -0.32 -0.80 -0.17 5.07 5.85 -0.88 -1.15 115.31 122.92 3gkf h LEU 189 Ca 0.04 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3gkf h LEU 189 Cb 0.35 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3gkf h LEU 189 CO -0.12 -0.33 0.08 0.00 -0.34 0.00 0.00 178.44 177.73 3gkf h ALA 190 N 0.45 0.22 -0.60 1.25 0.00 -1.09 -1.33 119.26 118.16 3gkf h ALA 190 Ca 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3gkf h ALA 190 Cb 0.49 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3gkf h ALA 190 CO -0.26 -0.21 0.18 1.79 0.00 0.00 0.00 179.25 180.75 3gkf h THR 191 N 0.14 1.25 -0.33 0.00 1.35 -0.34 -2.49 112.91 112.49 3gkf h THR 191 Ca 0.06 -0.85 -0.10 0.00 -0.55 0.00 0.00 66.41 64.96 3gkf h THR 191 Cb 0.13 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.20 3gkf h THR 191 CO -0.01 0.32 -0.21 -0.09 -0.25 0.00 0.00 175.52 175.29 3gkf h ARG 192 N 0.87 0.71 -0.30 4.72 9.65 -1.00 -0.27 114.38 128.75 3gkf h ARG 192 Ca 0.19 -0.33 0.01 0.00 -1.10 0.00 0.00 59.98 58.75 3gkf h ARG 192 Cb 0.31 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 3gkf h ARG 192 CO -0.00 0.94 0.19 0.82 2.80 0.00 0.00 179.97 184.72 3gkf h ILE 193 N 0.48 1.06 -0.33 1.20 2.04 -1.21 0.12 117.51 120.88 3gkf h ILE 193 Ca 0.07 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.82 3gkf h ILE 193 Cb 0.75 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3gkf h ILE 193 CO 0.06 0.07 0.13 0.00 0.00 0.00 0.00 178.15 178.41 3gkf h ALA 194 N 1.12 0.38 -0.59 1.87 0.00 -1.22 0.51 119.26 121.33 3gkf h ALA 194 Ca 0.11 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 3gkf h ALA 194 Cb -0.03 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3gkf h ALA 194 CO -0.03 -0.27 0.11 0.00 0.00 0.00 0.00 179.25 179.06 3gkf h ALA 195 N 1.20 0.78 -0.58 0.00 0.00 -0.76 -2.42 119.26 117.48 3gkf h ALA 195 Ca 0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3gkf h ALA 195 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3gkf h ALA 195 CO -0.14 0.52 0.08 1.49 0.00 0.00 0.00 179.25 181.20 3gkf h GLU 196 N 0.87 0.97 -0.46 0.00 4.57 -0.50 -2.09 114.58 117.93 3gkf h GLU 196 Ca 0.18 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3gkf h GLU 196 Cb 0.40 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 3gkf h GLU 196 CO 0.01 0.93 0.31 0.52 -1.18 0.00 0.00 179.01 179.60 3gkf h MET 197 N 0.86 0.44 0.00 1.92 2.86 -0.44 -3.45 114.93 117.12 3gkf h MET 197 Ca 0.17 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3gkf h MET 197 Cb 0.44 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3gkf h MET 197 CO 0.01 0.29 0.00 0.41 1.06 0.00 0.00 176.91 178.69 3gkf n GLY 198 N -1.50 -0.33 3.73 8.32 0.00 -0.79 -4.91 105.19 109.71 3gkf n GLY 198 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 3.76 0.01 4.61 0.00 -0.99 -4.83 121.76 124.33 3gkf s ALA 199 Ca 0.00 1.42 0.10 0.00 0.00 0.00 0.00 51.96 53.48 3gkf s ALA 199 Cb 0.00 -3.62 -0.13 0.00 0.00 0.00 0.00 23.12 19.37 3gkf s ALA 199 CO 0.00 -0.82 1.23 1.96 0.00 0.00 0.00 175.76 178.14 3gkf h GLN 200 N 6.11 0.00 -5.69 0.00 7.50 -1.43 -3.42 115.11 118.18 3gkf h GLN 200 Ca -0.44 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.09 3gkf h GLN 200 Cb 1.21 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 28.43 3gkf h GLN 200 CO 0.87 0.77 -0.86 0.42 -1.50 0.00 0.00 178.83 178.53 3gkf s ILE 201 N -2.78 1.71 -0.14 2.54 1.01 -0.78 -3.82 121.20 118.93 3gkf s ILE 201 Ca 0.01 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.76 3gkf s ILE 201 Cb 0.09 -1.45 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3gkf s ILE 201 CO 0.80 0.48 -0.09 -0.63 0.00 0.00 0.00 174.94 175.50 3gkf s ILE 202 N -0.11 3.36 -0.12 2.92 -1.09 -0.39 -1.12 121.20 124.65 3gkf s ILE 202 Ca -0.02 -0.55 0.01 0.00 -2.23 0.00 0.00 60.65 57.86 3gkf s ILE 202 Cb -0.12 -2.44 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 3gkf s ILE 202 CO 0.02 0.51 -0.16 -0.75 -1.23 0.00 0.00 174.94 173.33 3gkf s LYS 203 N 0.42 3.27 0.12 2.79 2.20 -0.08 -0.24 119.74 128.21 3gkf s LYS 203 Ca -0.08 -0.73 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 3gkf s LYS 203 Cb -0.15 -2.54 0.01 0.00 -1.51 0.00 0.00 37.83 33.63 3gkf s LYS 203 CO 0.04 0.22 0.18 -2.37 -0.36 0.00 0.00 175.35 173.07 3gkf n THR 204 N 3.47 0.00 -4.00 3.43 5.66 0.15 -2.16 114.28 120.83 3gkf n THR 204 Ca -0.18 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.02 3gkf n THR 204 Cb 0.53 0.34 -0.05 0.00 -1.55 0.00 0.00 70.33 69.60 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 -5.05 3.32 0.47 1.09 2.02 -1.26 0.70 117.35 118.64 3gkf s TYR 205 Ca 0.08 0.12 -0.20 0.00 -0.37 0.00 0.00 57.07 56.70 3gkf s TYR 205 Cb -0.01 -1.65 -0.09 0.00 -0.40 0.00 0.00 41.96 39.81 3gkf s TYR 205 CO 0.06 0.54 1.00 -0.47 -1.57 0.00 0.00 175.55 175.11 3gkf s TYR 206 N -1.53 3.14 -0.04 2.71 5.04 -1.26 -4.94 117.35 120.46 3gkf s TYR 206 Ca 0.32 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.55 3gkf s TYR 206 Cb -0.12 -2.97 0.01 0.00 0.35 0.00 0.00 41.96 39.24 3gkf s TYR 206 CO 0.25 -0.54 -0.08 0.08 -1.34 0.00 0.00 175.55 173.92 3gkf s VAL 207 N -2.11 0.75 0.40 3.14 1.01 -1.26 -5.03 120.40 117.30 3gkf s VAL 207 Ca 0.65 -0.28 0.12 0.00 0.00 0.00 0.00 61.98 62.46 3gkf s VAL 207 Cb -0.13 -0.72 0.14 0.00 0.00 0.00 0.00 36.38 35.67 3gkf s VAL 207 CO 0.18 0.26 1.90 -0.33 0.00 0.00 0.00 175.10 177.12 3gkf h GLU 208 N 6.89 0.11 -5.04 2.72 5.08 -1.97 -3.34 114.58 119.02 3gkf h GLU 208 Ca -0.35 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.31 3gkf h GLU 208 Cb 1.17 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.05 3gkf h GLU 208 CO 0.48 0.33 -0.86 0.21 -1.00 0.00 0.00 179.01 178.17 3gkf s LYS 209 N -4.54 2.93 0.00 2.33 2.20 -1.26 -4.80 119.74 116.61 3gkf s LYS 209 Ca -0.04 -0.86 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 3gkf s LYS 209 Cb 0.15 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 3gkf s LYS 209 CO 0.72 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.89 3gkf n GLY 210 N 4.61 0.80 0.36 5.54 0.00 -1.26 -4.40 105.19 110.85 3gkf n GLY 210 Ca -0.20 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 45.78 3gkf n GLY 210 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3gkf h PHE 211 N 0.00 0.41 -0.89 1.61 3.57 -1.87 -1.16 116.94 118.60 3gkf h PHE 211 Ca 0.00 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.61 3gkf h PHE 211 Cb 0.00 -0.13 -0.08 0.00 2.79 0.00 0.00 35.95 38.53 3gkf h PHE 211 CO 0.00 0.18 0.54 0.93 -2.23 0.00 0.00 178.31 177.72 3gkf h GLU 212 N 0.37 0.87 -0.23 1.11 5.08 -1.92 -1.06 114.58 118.80 3gkf h GLU 212 Ca 0.30 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.50 3gkf h GLU 212 Cb 0.68 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3gkf h GLU 212 CO -0.08 0.57 -0.31 0.00 -1.00 0.00 0.00 179.01 178.19 3gkf h ARG 213 N 0.89 0.46 0.33 2.33 3.08 -1.59 0.16 114.38 120.04 3gkf h ARG 213 Ca 0.43 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 3gkf h ARG 213 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3gkf h ARG 213 CO -0.24 0.72 -0.16 0.82 -1.07 0.00 0.00 179.97 180.04 3gkf h ILE 214 N 0.40 0.70 -0.15 2.04 2.04 -1.13 -0.10 117.51 121.30 3gkf h ILE 214 Ca 0.05 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.70 3gkf h ILE 214 Cb 0.74 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3gkf h ILE 214 CO 0.06 0.05 0.06 0.58 0.00 0.00 0.00 178.15 178.90 3gkf h VAL 215 N -0.56 0.98 -0.78 1.67 2.07 -1.04 -2.22 116.25 116.37 3gkf h VAL 215 Ca -0.04 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3gkf h VAL 215 Cb 0.41 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3gkf h VAL 215 CO 0.07 0.03 0.43 0.00 0.02 0.00 0.00 177.57 178.12 3gkf h ALA 216 N 1.09 1.29 0.00 1.67 0.00 -0.63 -1.54 119.26 121.13 3gkf h ALA 216 Ca 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3gkf h ALA 216 Cb 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3gkf h ALA 216 CO -0.06 0.58 0.00 0.78 0.00 0.00 0.00 179.25 180.56 3gkf h GLY 217 N 1.12 0.00 -6.09 0.00 0.00 -0.81 -3.43 103.07 93.86 3gkf h GLY 217 Ca 0.28 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.01 3gkf h GLY 217 CO -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 176.26 3gkf n PRO 219 N 4.05 1.63 -4.24 0.00 -0.04 -1.26 -4.88 135.00 130.25 3gkf n PRO 219 Ca -0.09 -0.94 -0.14 0.00 -0.04 0.00 0.00 63.50 62.29 3gkf n PRO 219 Cb 0.51 -1.40 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.44 0.42 0.52 -7.23 -1.26 -3.48 120.40 107.97 3gkf s VAL 220 Ca 0.33 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 3gkf s VAL 220 Cb 0.17 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.69 3gkf s VAL 220 CO 0.27 -0.26 1.25 -2.65 -0.31 0.00 0.00 175.10 173.40 3gkf n PRO 221 N -0.29 1.87 -5.03 4.82 -0.02 -1.25 -4.77 135.00 130.33 3gkf n PRO 221 Ca -0.03 0.67 -0.32 0.00 -2.02 0.00 0.00 63.50 61.79 3gkf n PRO 221 Cb 0.65 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.63 3gkf n PRO 221 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gkf s ILE 222 N -1.21 2.65 0.02 4.25 1.01 -1.26 -1.27 121.20 125.40 3gkf s ILE 222 Ca 0.61 -0.86 0.08 0.00 0.00 0.00 0.00 60.65 60.49 3gkf s ILE 222 Cb -0.51 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 3gkf s ILE 222 CO 0.58 0.57 -0.25 -0.69 0.00 0.00 0.00 174.94 175.15 3gkf s VAL 223 N -0.37 1.99 -0.07 2.92 1.01 0.66 0.19 120.40 126.73 3gkf s VAL 223 Ca 0.03 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 3gkf s VAL 223 Cb -0.12 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3gkf s VAL 223 CO 0.02 0.42 -0.02 0.27 0.00 0.00 0.00 175.10 175.79 3gkf s ILE 224 N -0.71 4.11 0.28 2.22 -4.36 -0.84 0.32 121.20 122.21 3gkf s ILE 224 Ca 0.10 -0.35 -0.14 0.00 -0.26 0.00 0.00 60.65 60.00 3gkf s ILE 224 Cb -0.10 -2.72 -0.08 0.00 1.25 0.00 0.00 42.46 40.81 3gkf s ILE 224 CO 0.01 0.59 0.67 0.00 0.24 0.00 0.00 174.94 176.44 3gkf s ALA 225 N -0.88 3.41 0.12 2.27 0.00 0.22 0.92 121.76 127.83 3gkf s ALA 225 Ca 0.13 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 3gkf s ALA 225 Cb -0.11 -2.66 -0.11 0.00 0.00 0.00 0.00 23.12 20.24 3gkf s ALA 225 CO 0.03 0.39 1.38 0.78 0.00 0.00 0.00 175.76 178.33 3gkf h GLY 226 N 2.51 0.94 0.00 0.00 0.00 -0.41 -3.40 103.07 102.71 3gkf h GLY 226 Ca -0.48 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 45.70 3gkf h GLY 226 CO 0.66 1.03 0.00 0.61 0.00 0.00 0.00 176.54 178.85 3gkf n GLY 227 N 0.46 -1.28 3.72 4.60 0.00 -1.26 -4.91 105.19 106.51 3gkf n GLY 227 Ca -0.05 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.31 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 2.21 0.28 1.61 -2.85 -1.26 -4.47 119.74 115.25 3gkf s LYS 228 Ca 0.00 1.91 -0.30 0.00 -1.00 0.00 0.00 55.97 56.57 3gkf s LYS 228 Cb 0.00 -1.82 -0.12 0.00 -2.06 0.00 0.00 37.83 33.83 3gkf s LYS 228 CO 0.00 -1.82 1.61 1.17 0.10 0.00 0.00 175.35 176.41 3gkf n LYS 229 N -2.47 2.68 -4.44 1.78 3.00 -1.26 -4.82 118.16 112.62 3gkf n LYS 229 Ca 0.15 0.95 -0.22 0.00 -0.00 0.00 0.00 58.31 59.19 3gkf n LYS 229 Cb 0.49 -2.74 -0.10 0.00 0.00 0.00 0.00 35.03 32.68 3gkf n LYS 229 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gkf s LEU 230 N -0.16 2.53 0.35 3.14 1.43 -1.26 -5.04 118.68 119.66 3gkf s LEU 230 Ca 0.66 -1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 3gkf s LEU 230 Cb -0.51 -0.71 -0.11 0.00 0.03 0.00 0.00 46.19 44.89 3gkf s LEU 230 CO 0.46 -0.30 1.51 -0.81 0.23 0.00 0.00 176.35 177.44 3gkf n PRO 231 N -0.61 2.63 -0.17 1.29 -0.04 -1.26 -4.76 135.00 132.08 3gkf n PRO 231 Ca -0.05 0.93 -0.01 0.00 -0.04 0.00 0.00 63.50 64.32 3gkf n PRO 231 Cb 0.63 -2.66 0.08 0.00 -0.04 0.00 0.00 33.50 31.51 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 3.53 0.16 -0.81 0.54 3.07 -1.99 0.21 114.58 119.29 3gkf h GLU 232 Ca -0.49 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 58.55 3gkf h GLU 232 Cb 1.24 -0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 28.99 3gkf h GLU 232 CO 0.69 0.11 0.22 -0.09 -1.40 0.00 0.00 179.01 178.54 3gkf h ARG 233 N 0.17 0.26 -0.23 2.33 1.12 -1.98 0.16 114.38 116.21 3gkf h ARG 233 Ca 0.28 -0.02 -0.17 0.00 -1.11 0.00 0.00 59.98 58.96 3gkf h ARG 233 Cb 0.42 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 3gkf h ARG 233 CO -0.42 0.17 -0.54 0.93 -3.11 0.00 0.00 179.97 177.00 3gkf h GLU 234 N 0.27 0.68 -0.26 0.20 5.08 -0.96 -2.06 114.58 117.52 3gkf h GLU 234 Ca 0.48 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3gkf h GLU 234 Cb 0.89 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3gkf h GLU 234 CO -0.57 1.04 0.07 0.00 -1.00 0.00 0.00 179.01 178.55 3gkf h ALA 235 N 0.87 0.34 -0.75 3.43 0.00 -0.27 -1.32 119.26 121.56 3gkf h ALA 235 Ca 0.01 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 54.81 3gkf h ALA 235 Cb 1.11 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3gkf h ALA 235 CO 0.11 -0.01 0.45 -0.07 0.00 0.00 0.00 179.25 179.73 3gkf h LEU 236 N 0.25 0.71 -0.56 0.00 3.38 -0.72 0.20 115.31 118.56 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 0.27 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3gkf h LEU 236 CO 0.00 0.46 0.37 -0.08 0.09 0.00 0.00 178.44 179.28 3gkf h GLU 237 N 0.84 0.72 -0.41 1.13 4.22 -1.06 0.69 114.58 120.72 3gkf h GLU 237 Ca 0.33 -0.04 0.04 0.00 0.08 0.00 0.00 59.36 59.76 3gkf h GLU 237 Cb 0.14 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3gkf h GLU 237 CO -0.16 0.48 0.18 1.98 -2.18 0.00 0.00 179.01 179.30 3gkf h MET 238 N 0.74 0.35 0.11 1.92 4.05 -0.35 0.15 114.93 121.89 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 -0.06 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 30.62 3gkf h MET 238 CO -0.06 0.23 -0.28 0.00 0.23 0.00 0.00 176.91 177.03 3gkf h TRP 240 N -0.49 0.24 -0.35 0.00 7.01 0.96 -0.55 115.95 122.77 3gkf h TRP 240 Ca 0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.06 3gkf h TRP 240 Cb 0.53 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 3gkf h TRP 240 CO -0.26 0.03 0.21 1.96 -2.79 0.00 0.00 178.44 177.58 3gkf h GLN 241 N 0.29 0.47 -0.11 2.65 1.08 -0.46 0.11 115.11 119.13 3gkf h GLN 241 Ca 0.27 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3gkf h GLN 241 Cb 0.35 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3gkf h GLN 241 CO -0.32 0.36 0.07 0.00 -0.95 0.00 0.00 178.83 177.99 3gkf h ALA 242 N 1.08 0.15 0.06 3.87 0.00 0.04 0.24 119.26 124.71 3gkf h ALA 242 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gkf h ALA 242 Cb 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3gkf h ALA 242 CO -0.02 -0.34 -0.03 0.82 0.00 0.00 0.00 179.25 179.68 3gkf h ILE 243 N 0.11 1.01 -0.92 0.00 1.08 -1.02 -0.76 117.51 117.01 3gkf h ILE 243 Ca 0.04 -0.23 0.26 0.00 -0.39 0.00 0.00 64.86 64.54 3gkf h ILE 243 Cb 0.04 1.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.90 3gkf h ILE 243 CO -0.01 0.06 0.65 -0.78 -0.69 0.00 0.00 178.15 177.38 3gkf h ASP 244 N -0.19 0.05 -0.63 1.72 3.58 -0.52 0.15 116.42 120.57 3gkf h ASP 244 Ca -0.01 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3gkf h ASP 244 Cb 0.16 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.21 3gkf h ASP 244 CO 0.01 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 3gkf n GLN 245 N -4.29 3.57 0.00 0.28 6.02 0.05 -4.93 117.38 118.08 3gkf n GLN 245 Ca 0.19 -2.73 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 3gkf n GLN 245 Cb 0.96 -1.86 0.00 0.00 1.02 0.00 0.00 30.24 30.36 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 1.15 1.00 3.77 1.08 0.00 0.51 -4.60 105.19 108.10 3gkf n GLY 246 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 3gkf n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 247 N -2.00 2.80 -1.63 4.61 0.00 -0.36 -4.84 121.76 120.34 3gkf s ALA 247 Ca 0.00 0.97 0.24 0.00 0.00 0.00 0.00 51.96 53.18 3gkf s ALA 247 Cb 0.00 -3.41 0.32 0.00 0.00 0.00 0.00 23.12 20.03 3gkf s ALA 247 CO 0.00 -0.88 1.29 0.43 0.00 0.00 0.00 175.76 176.60 3gkf n SER 248 N -0.97 1.28 -3.60 0.00 7.64 0.13 -4.60 113.62 113.50 3gkf n SER 248 Ca 0.10 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.96 3gkf n SER 248 Cb 0.49 0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 64.07 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 -2.64 -0.38 0.00 0.23 0.00 -1.12 -1.21 107.32 102.21 3gkf s GLY 249 Ca 0.18 1.09 0.04 0.00 0.00 0.00 0.00 44.72 46.03 3gkf s GLY 249 CO 0.62 0.28 -0.12 -1.34 0.00 0.00 0.00 173.10 172.54 3gkf s VAL 250 N -2.30 0.95 -0.30 1.40 -7.23 -1.00 -2.00 120.40 109.92 3gkf s VAL 250 Ca 0.13 -0.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.64 3gkf s VAL 250 Cb 0.04 -0.82 0.05 0.00 0.56 0.00 0.00 36.38 36.20 3gkf s VAL 250 CO -0.04 0.17 0.00 -0.62 -0.31 0.00 0.00 175.10 174.30 3gkf s ASP 251 N -0.53 4.91 -0.47 4.85 2.15 0.26 -1.87 116.67 125.97 3gkf s ASP 251 Ca 0.03 -1.26 -0.17 0.00 0.43 0.00 0.00 52.55 51.58 3gkf s ASP 251 Cb -0.05 -1.72 0.05 0.00 -0.30 0.00 0.00 42.92 40.89 3gkf s ASP 251 CO 0.00 -0.26 0.49 -0.04 -0.17 0.00 0.00 175.17 175.19 3gkf s MET 252 N 1.26 3.06 0.00 4.34 -1.94 -1.25 0.37 119.30 125.15 3gkf s MET 252 Ca -0.05 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 3gkf s MET 252 Cb -0.20 -4.07 0.00 0.00 2.01 0.00 0.00 34.83 32.58 3gkf s MET 252 CO -0.01 -1.04 0.00 0.41 -0.01 0.00 0.00 175.02 174.38 3gkf n GLY 253 N 5.16 1.45 0.33 -0.03 0.00 -1.26 -3.97 105.19 106.87 3gkf n GLY 253 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.09 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.49 0.00 1.61 -0.00 -1.89 0.60 114.38 115.20 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 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 29.86 3gkf h ARG 254 CO 0.00 0.33 0.00 0.09 0.00 0.00 0.00 179.97 180.39 3gkf n ASN 255 N -4.95 0.00 -0.01 7.04 3.02 -1.26 -0.86 115.26 118.24 3gkf n ASN 255 Ca 0.25 0.48 -0.02 0.00 -0.03 0.00 0.00 54.58 55.26 3gkf n ASN 255 Cb 0.71 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 39.39 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 -1.48 0.58 0.31 2.41 5.41 0.21 -4.32 119.36 122.48 3gkf n ILE 256 Ca 0.01 0.26 0.18 0.00 1.00 0.00 0.00 62.75 64.20 3gkf n ILE 256 Cb 0.03 -1.55 1.02 0.00 -0.71 0.00 0.00 39.64 38.44 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 -0.21 0.00 0.00 1.39 -5.15 -1.40 -0.72 116.94 110.85 3gkf h PHE 257 Ca 0.00 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.76 3gkf h PHE 257 Cb 0.21 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.37 3gkf h PHE 257 CO -0.09 0.01 -1.03 1.04 -2.00 0.00 0.00 178.31 176.24 3gkf n GLN 258 N -3.52 0.61 -1.71 6.09 6.02 -0.04 -4.91 117.38 119.92 3gkf n GLN 258 Ca -0.03 0.12 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 3gkf n GLN 258 Cb 0.09 -1.83 0.06 0.00 1.02 0.00 0.00 30.24 29.58 3gkf n GLN 258 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3gkf n SER 259 N -2.68 2.01 0.27 1.08 2.88 -0.28 -4.87 113.62 112.03 3gkf n SER 259 Ca -0.00 0.88 0.17 0.00 -1.33 0.00 0.00 58.87 58.58 3gkf n SER 259 Cb 0.56 -1.53 0.64 0.00 -0.75 0.00 0.00 64.21 63.13 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 0.83 0.00 -2.35 -3.46 3.32 -1.91 -3.31 116.42 109.54 3gkf h ASP 260 Ca -0.50 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 3gkf h ASP 260 Cb 1.33 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.48 3gkf h ASP 260 CO 0.54 0.01 -0.77 1.41 -1.72 0.00 0.00 179.24 178.71 3gkf n HIS 261 N -3.10 1.92 0.23 4.55 8.25 -1.26 -4.99 115.22 120.81 3gkf n HIS 261 Ca 0.01 -3.92 -0.15 0.00 -0.26 0.00 0.00 57.72 53.39 3gkf n HIS 261 Cb 0.33 -0.41 -0.08 0.00 1.12 0.00 0.00 29.99 30.95 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 4.57 -0.67 -0.85 -0.41 0.11 -1.78 -2.09 132.00 130.88 3gkf h PRO 262 Ca 0.17 0.05 0.03 0.00 0.11 0.00 0.00 66.00 66.35 3gkf h PRO 262 Cb 0.77 0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.98 3gkf h PRO 262 CO 0.65 -0.45 0.55 0.28 -0.21 0.00 0.00 178.00 178.83 3gkf h VAL 263 N -0.69 1.16 -0.31 3.15 2.07 -1.94 0.01 116.25 119.69 3gkf h VAL 263 Ca -0.03 -0.37 0.04 0.00 0.82 0.00 0.00 66.70 67.16 3gkf h VAL 263 Cb 0.61 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3gkf h VAL 263 CO -0.03 0.20 0.08 0.00 0.02 0.00 0.00 177.57 177.85 3gkf h ALA 264 N 1.34 0.34 -0.42 1.67 0.00 -1.80 -1.93 119.26 118.46 3gkf h ALA 264 Ca 0.33 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.37 3gkf h ALA 264 Cb -0.03 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3gkf h ALA 264 CO -0.10 -0.32 -0.05 1.98 0.00 0.00 0.00 179.25 180.75 3gkf h MET 265 N 0.21 0.05 -0.60 0.00 -1.53 -0.34 -1.69 114.93 111.03 3gkf h MET 265 Ca 0.14 -0.00 0.03 0.00 -3.44 0.00 0.00 59.70 56.43 3gkf h MET 265 Cb 0.14 -0.01 -0.04 0.00 -0.55 0.00 0.00 31.60 31.13 3gkf h MET 265 CO -0.17 0.03 0.36 0.52 0.14 0.00 0.00 176.91 177.79 3gkf h MET 266 N 0.05 0.68 -0.41 0.39 2.86 -0.51 0.30 114.93 118.29 3gkf h MET 266 Ca 0.20 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3gkf h MET 266 Cb 0.31 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3gkf h MET 266 CO -0.39 0.45 0.14 0.87 1.06 0.00 0.00 176.91 179.05 3gkf h LYS 267 N 0.70 0.59 0.01 1.72 1.57 -1.03 0.61 116.57 120.74 3gkf h LYS 267 Ca 0.24 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3gkf h LYS 267 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3gkf h LYS 267 CO -0.11 0.51 -0.05 0.00 -0.57 0.00 0.00 179.45 179.23 3gkf h ALA 268 N 1.58 -0.06 -0.56 3.86 0.00 0.22 -1.19 119.26 123.11 3gkf h ALA 268 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3gkf h ALA 268 Cb 0.15 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gkf h ALA 268 CO -0.01 -0.55 -0.02 0.28 0.00 0.00 0.00 179.25 178.96 3gkf h VAL 269 N -0.09 1.26 -0.54 0.00 2.07 0.10 -2.05 116.25 117.01 3gkf h VAL 269 Ca 0.02 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.45 3gkf h VAL 269 Cb 0.11 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3gkf h VAL 269 CO -0.04 0.41 0.26 1.56 0.02 0.00 0.00 177.57 179.78 3gkf h GLN 270 N 0.90 0.49 0.20 1.57 4.20 0.34 0.00 115.11 122.82 3gkf h GLN 270 Ca 0.16 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 3gkf h GLN 270 Cb 0.55 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 3gkf h GLN 270 CO 0.03 0.33 -0.12 0.00 -0.67 0.00 0.00 178.83 178.40 3gkf h ALA 271 N 1.30 -0.29 -0.11 3.87 0.00 -0.61 0.59 119.26 124.01 3gkf h ALA 271 Ca 0.24 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3gkf h ALA 271 Cb 0.17 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3gkf h ALA 271 CO -0.18 -0.67 0.02 0.28 0.00 0.00 0.00 179.25 178.70 3gkf h VAL 272 N -0.30 0.95 0.35 0.00 2.07 -1.06 0.58 116.25 118.84 3gkf h VAL 272 Ca -0.02 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 3gkf h VAL 272 Cb 0.25 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3gkf h VAL 272 CO 0.03 0.01 -0.17 0.58 0.02 0.00 0.00 177.57 178.04 3gkf h VAL 273 N 0.07 0.00 0.25 2.57 2.07 -0.73 -2.98 116.25 117.50 3gkf h VAL 273 Ca 0.05 -0.20 -0.33 0.00 0.82 0.00 0.00 66.70 67.04 3gkf h VAL 273 Cb 0.04 0.00 0.04 0.00 -1.52 0.00 0.00 31.29 29.85 3gkf h VAL 273 CO -0.07 0.00 -1.47 0.45 0.02 0.00 0.00 177.57 176.50 3gkf h HIS 274 N -0.67 0.95 -0.01 1.57 -0.00 -1.00 -3.38 115.15 112.61 3gkf h HIS 274 Ca -0.05 -0.69 0.00 0.00 -0.00 0.00 0.00 60.37 59.63 3gkf h HIS 274 Cb 0.36 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3gkf h HIS 274 CO 0.07 1.56 -0.67 0.72 -0.00 0.00 0.00 177.93 179.61 3gkf n HIS 275 N -3.74 0.00 -0.90 2.45 8.25 -0.67 -4.98 115.22 115.64 3gkf n HIS 275 Ca -0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 3gkf n HIS 275 Cb 1.09 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.19 3gkf n HIS 275 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gkf n ASN 276 N -0.60 -0.38 -4.49 0.41 3.02 0.11 -4.96 115.26 108.37 3gkf n ASN 276 Ca 0.07 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3gkf n ASN 276 Cb 0.41 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.56 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 -2.13 0.54 -2.30 3.52 -0.58 -0.99 -4.91 120.64 113.79 3gkf n GLU 277 Ca 0.00 0.22 -0.32 0.00 -0.42 0.00 0.00 57.16 56.64 3gkf n GLU 277 Cb 0.00 -1.79 -0.03 0.00 -0.57 0.00 0.00 31.44 29.05 3gkf n GLU 277 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gkf s THR 278 N -1.71 4.57 0.25 2.62 -4.23 -1.26 -4.44 115.64 111.44 3gkf s THR 278 Ca 0.70 1.14 -0.05 0.00 -1.18 0.00 0.00 61.69 62.30 3gkf s THR 278 Cb -0.43 -3.75 0.27 0.00 1.34 0.00 0.00 72.50 69.93 3gkf s THR 278 CO 0.53 -0.78 1.66 0.00 -0.54 0.00 0.00 174.62 175.49 3gkf h ALA 279 N 0.68 0.94 0.12 3.99 0.00 -1.91 -1.28 119.26 121.79 3gkf h ALA 279 Ca -0.46 0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3gkf h ALA 279 Cb 1.19 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3gkf h ALA 279 CO 0.62 -0.40 -0.06 -0.44 0.00 0.00 0.00 179.25 178.97 3gkf h ASP 280 N 0.18 -0.13 -0.44 0.00 5.19 -1.97 0.15 116.42 119.40 3gkf h ASP 280 Ca 0.44 -0.18 0.08 0.00 -0.62 0.00 0.00 57.03 56.75 3gkf h ASP 280 Cb 0.79 0.03 -0.07 0.00 0.18 0.00 0.00 39.33 40.27 3gkf h ASP 280 CO -0.60 0.10 0.04 0.03 -3.12 0.00 0.00 179.24 175.69 3gkf h ARG 281 N -0.37 0.16 -0.14 3.56 3.08 -1.84 -0.00 114.38 118.82 3gkf h ARG 281 Ca -0.02 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.07 3gkf h ARG 281 Cb 0.30 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.25 3gkf h ARG 281 CO 0.03 0.10 -0.31 0.00 -1.07 0.00 0.00 179.97 178.72 3gkf h ALA 282 N 1.36 -0.33 -0.79 0.04 0.00 -0.61 0.73 119.26 119.66 3gkf h ALA 282 Ca 0.22 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.27 3gkf h ALA 282 Cb 0.30 0.59 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3gkf h ALA 282 CO -0.33 -0.78 0.41 -0.92 0.00 0.00 0.00 179.25 177.64 3gkf h TYR 283 N -0.37 0.74 -0.15 0.00 3.20 0.09 -0.30 116.97 120.17 3gkf h TYR 283 Ca 0.10 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3gkf h TYR 283 Cb 0.53 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 3gkf h TYR 283 CO -0.40 0.25 0.08 0.93 -1.64 0.00 0.00 178.16 177.38 3gkf h GLU 284 N 0.67 0.17 0.00 1.82 5.08 1.00 0.45 114.58 123.76 3gkf h GLU 284 Ca 0.40 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3gkf h GLU 284 Cb 0.45 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3gkf h GLU 284 CO -0.29 0.11 -0.03 1.37 -1.00 0.00 0.00 179.01 179.17 3gkf h LEU 285 N 0.18 0.00 0.28 1.33 -0.00 -0.81 0.59 115.31 116.88 3gkf h LEU 285 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3gkf h LEU 285 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.63 3gkf h LEU 285 CO -0.03 0.03 -0.39 0.22 -0.00 0.00 0.00 178.44 178.27 3gkf h TYR 286 N 0.00 -1.09 -0.49 0.17 3.20 0.16 0.17 116.97 119.09 3gkf h TYR 286 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3gkf h TYR 286 Cb 0.32 0.44 -0.02 0.00 1.54 0.00 0.00 36.73 39.00 3gkf h TYR 286 CO 0.00 -0.53 0.14 -0.07 -1.64 0.00 0.00 178.16 176.06 3gkf h LEU 287 N -0.74 0.73 -0.78 2.82 3.38 -0.38 -2.57 115.31 117.77 3gkf h LEU 287 Ca -0.01 -0.22 0.16 0.00 0.09 0.00 0.00 57.88 57.90 3gkf h LEU 287 Cb 0.69 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 3gkf h LEU 287 CO -0.13 0.76 -0.17 -1.28 0.09 0.00 0.00 178.44 177.70 3gkf h SER 288 N 0.67 -0.68 0.95 -0.43 0.87 0.37 -2.60 113.55 112.71 3gkf h SER 288 Ca 0.16 0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 3gkf h SER 288 Cb 0.30 0.47 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3gkf h SER 288 CO -0.00 -0.25 -0.00 -0.62 -0.53 0.00 0.00 176.83 175.43 3gkf n GLU 289 N -5.49 0.05 0.00 2.24 -0.58 0.58 -5.06 120.64 112.38 3gkf n GLU 289 Ca 0.11 -0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.87 3gkf n GLU 289 Cb 0.41 -1.50 0.10 0.00 -0.57 0.00 0.00 31.44 29.87 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28