#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 2.79 -0.25 1.61 1.02 -1.26 -5.12 119.74 118.54 3gkf s LYS 11 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.45 3gkf s LYS 11 Cb 0.00 -2.66 0.05 0.00 -0.52 0.00 0.00 37.83 34.70 3gkf s LYS 11 CO 0.00 0.65 -0.10 0.34 -0.92 0.00 0.00 175.35 175.33 3gkf s ASP 12 N -1.13 4.31 0.00 2.83 2.15 -1.26 -4.95 116.67 118.61 3gkf s ASP 12 Ca 0.15 -1.18 0.27 0.00 0.43 0.00 0.00 52.55 52.22 3gkf s ASP 12 Cb -0.11 -1.59 0.76 0.00 -0.30 0.00 0.00 42.92 41.68 3gkf s ASP 12 CO 0.05 -0.16 1.57 0.49 -0.17 0.00 0.00 175.17 176.95 3gkf n PHE 13 N 4.53 0.00 -3.78 -5.34 3.72 -1.26 -4.96 117.46 110.37 3gkf n PHE 13 Ca -0.15 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 56.97 3gkf n PHE 13 Cb 0.44 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.26 -2.43 0.29 -1.08 3.00 -1.26 -4.81 116.66 110.64 3gkf n ARG 14 Ca 0.16 0.46 0.16 0.00 -0.00 0.00 0.00 57.85 58.62 3gkf n ARG 14 Cb 0.41 -4.39 0.89 0.00 0.00 0.00 0.00 32.46 29.37 3gkf n ARG 14 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3gkf h THR 15 N -1.88 0.44 0.00 5.15 1.35 -2.02 -1.80 112.91 114.15 3gkf h THR 15 Ca -0.65 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3gkf h THR 15 Cb 1.37 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 3gkf h THR 15 CO 0.54 0.04 0.00 -2.24 -0.25 0.00 0.00 175.52 173.62 3gkf h ASP 16 N 0.00 0.00 -3.80 5.36 2.03 -2.04 -3.40 116.42 114.57 3gkf h ASP 16 Ca -0.00 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.63 3gkf h ASP 16 Cb 0.14 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 38.28 3gkf h ASP 16 CO 0.01 0.00 -0.79 -1.58 -1.03 0.00 0.00 179.24 175.84 3gkf s GLN 17 N -3.29 2.32 0.01 4.15 0.74 -0.68 -5.10 119.66 117.82 3gkf s GLN 17 Ca 0.06 -1.30 -0.21 0.00 0.05 0.00 0.00 55.36 53.96 3gkf s GLN 17 Cb 0.10 -2.90 -0.05 0.00 1.10 0.00 0.00 33.01 31.25 3gkf s GLN 17 CO 0.53 -0.55 0.62 -1.25 -0.55 0.00 0.00 175.29 174.09 3gkf s PRO 18 N 1.13 4.34 0.22 1.67 0.04 -1.26 -4.92 135.00 136.22 3gkf s PRO 18 Ca -0.08 0.79 -0.32 0.00 0.04 0.00 0.00 61.00 61.44 3gkf s PRO 18 Cb -0.19 -3.34 -0.14 0.00 0.04 0.00 0.00 34.50 30.87 3gkf s PRO 18 CO -0.05 0.37 1.38 0.94 0.04 0.00 0.00 177.00 179.68 3gkf n GLN 19 N 2.67 1.88 -4.43 4.56 7.27 -1.26 -4.99 117.38 123.07 3gkf n GLN 19 Ca -0.06 0.67 -0.20 0.00 0.07 0.00 0.00 57.00 57.47 3gkf n GLN 19 Cb 0.51 -2.31 -0.14 0.00 2.41 0.00 0.00 30.24 30.71 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 -0.26 0.97 -0.09 3.69 2.20 -1.26 -5.13 119.74 119.87 3gkf s LYS 20 Ca 0.70 -0.65 -0.27 0.00 -0.36 0.00 0.00 55.97 55.40 3gkf s LYS 20 Cb -0.69 -0.96 -0.02 0.00 -1.51 0.00 0.00 37.83 34.64 3gkf s LYS 20 CO 0.49 0.25 0.86 -0.80 -0.36 0.00 0.00 175.35 175.79 3gkf s ASN 21 N -0.84 7.11 -0.13 1.43 0.01 -1.26 -5.02 114.94 116.24 3gkf s ASN 21 Ca 0.03 1.35 -0.29 0.00 -0.71 0.00 0.00 52.86 53.23 3gkf s ASN 21 Cb -0.07 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.09 3gkf s ASN 21 CO 0.01 -0.30 1.20 -0.63 -1.51 0.00 0.00 177.10 175.87 3gkf s ILE 22 N 1.52 4.34 0.64 0.60 1.09 -1.26 -5.00 121.20 123.13 3gkf s ILE 22 Ca 0.43 1.63 -0.18 0.00 -1.10 0.00 0.00 60.65 61.43 3gkf s ILE 22 Cb -0.18 -4.05 -0.01 0.00 -1.06 0.00 0.00 42.46 37.15 3gkf s ILE 22 CO 0.18 -0.08 1.29 -2.84 -0.10 0.00 0.00 174.94 173.39 3gkf s PRO 23 N 2.90 2.57 -0.29 2.79 0.02 -1.26 -5.01 135.00 136.72 3gkf s PRO 23 Ca 0.54 2.06 -0.06 0.00 0.02 0.00 0.00 61.00 63.56 3gkf s PRO 23 Cb -0.22 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.47 3gkf s PRO 23 CO 0.17 -1.58 0.05 0.12 -0.33 0.00 0.00 177.00 175.43 3gkf s PHE 24 N -1.40 3.15 -0.65 6.54 5.36 -1.26 -5.00 117.98 124.72 3gkf s PHE 24 Ca 0.82 -1.14 0.22 0.00 -0.96 0.00 0.00 56.93 55.88 3gkf s PHE 24 Cb -0.37 -2.22 -0.04 0.00 -0.34 0.00 0.00 43.02 40.05 3gkf s PHE 24 CO 0.39 -0.62 0.95 0.25 -1.46 0.00 0.00 175.22 174.73 3gkf n THR 25 N 4.82 0.10 -1.59 0.12 -2.24 -1.26 -4.59 114.28 109.64 3gkf n THR 25 Ca -0.15 -0.21 -0.50 0.00 -2.27 0.00 0.00 64.05 60.93 3gkf n THR 25 Cb 0.47 0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 69.02 3gkf n THR 25 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3gkf n LEU 26 N -1.87 1.66 -4.67 3.22 7.94 -1.26 -4.74 117.00 117.28 3gkf n LEU 26 Ca 0.02 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.63 3gkf n LEU 26 Cb 0.42 -1.22 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 3gkf n LEU 26 CO 0.41 -1.15 1.52 -0.75 -1.11 0.00 0.00 177.39 176.31 3gkf s LYS 27 N -0.01 4.15 -0.11 1.96 2.20 -1.26 -2.13 119.74 124.53 3gkf s LYS 27 Ca 0.77 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.89 3gkf s LYS 27 Cb -0.88 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 31.43 3gkf s LYS 27 CO 0.50 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 3gkf n GLY 28 N 4.38 0.36 0.77 5.54 0.00 -1.23 -3.71 105.19 111.30 3gkf n GLY 28 Ca 0.19 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.13 -1.43 2.24 0.00 0.00 -1.26 -3.94 105.19 99.67 3gkf n GLY 30 Ca 0.24 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.55 5.29 -2.50 4.61 0.00 -1.26 -4.95 120.51 120.15 3gkf n ALA 31 Ca 0.06 -3.92 -0.26 0.00 0.00 0.00 0.00 53.44 49.33 3gkf n ALA 31 Cb 0.35 -0.66 -0.10 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.64 2.72 0.77 0.00 1.43 -1.25 -5.11 118.68 113.60 3gkf s LEU 32 Ca 0.52 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3gkf s LEU 32 Cb 0.42 -1.36 0.06 0.00 0.03 0.00 0.00 46.19 45.35 3gkf s LEU 32 CO -0.06 0.08 1.12 -0.62 0.23 0.00 0.00 176.35 177.10 3gkf s ASP 33 N -3.07 4.25 0.20 2.29 2.15 -1.26 -4.70 116.67 116.54 3gkf s ASP 33 Ca 0.26 2.01 -0.12 0.00 0.43 0.00 0.00 52.55 55.13 3gkf s ASP 33 Cb -0.07 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.26 3gkf s ASP 33 CO 0.14 -2.21 1.67 -0.25 -0.17 0.00 0.00 175.17 174.35 3gkf h TRP 34 N -0.93 -0.04 -0.57 -5.34 7.01 -1.99 -0.73 115.95 113.36 3gkf h TRP 34 Ca -0.45 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.57 3gkf h TRP 34 Cb 1.25 0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 28.39 3gkf h TRP 34 CO 0.54 -0.14 0.27 0.78 -2.79 0.00 0.00 178.44 177.10 3gkf h GLY 35 N 0.12 0.88 0.87 2.65 0.00 -1.92 0.29 103.07 105.96 3gkf h GLY 35 Ca 0.29 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 3gkf h GLY 35 CO -0.48 0.42 -0.01 1.98 0.00 0.00 0.00 176.54 178.44 3gkf h MET 36 N 0.77 0.49 -0.37 4.80 1.85 -1.51 -1.29 114.93 119.68 3gkf h MET 36 Ca 0.20 -0.16 0.05 0.00 -0.61 0.00 0.00 59.70 59.18 3gkf h MET 36 Cb 0.12 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.09 3gkf h MET 36 CO -0.02 0.66 0.25 1.96 -0.40 0.00 0.00 176.91 179.36 3gkf h GLN 37 N 0.27 0.27 -0.32 0.39 4.20 -0.69 -1.99 115.11 117.24 3gkf h GLN 37 Ca 0.08 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 3gkf h GLN 37 Cb 0.45 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3gkf h GLN 37 CO 0.02 0.18 -0.13 1.03 -0.67 0.00 0.00 178.83 179.25 3gkf h SER 38 N 0.27 0.67 -0.31 1.46 0.87 0.33 -1.15 113.55 115.69 3gkf h SER 38 Ca 0.16 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.30 3gkf h SER 38 Cb 0.30 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3gkf h SER 38 CO -0.03 0.91 0.06 0.03 -0.53 0.00 0.00 176.83 177.27 3gkf h ARG 39 N 0.42 0.50 -0.78 2.24 3.08 -0.76 -1.53 114.38 117.56 3gkf h ARG 39 Ca 0.08 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3gkf h ARG 39 Cb 0.64 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 3gkf h ARG 39 CO 0.04 0.58 0.51 -0.07 -1.07 0.00 0.00 179.97 179.97 3gkf h LEU 40 N 0.34 0.81 -1.24 3.04 3.38 -1.33 -0.84 115.31 119.46 3gkf h LEU 40 Ca 0.10 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 3gkf h LEU 40 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3gkf h LEU 40 CO 0.00 0.55 -0.23 0.28 0.09 0.00 0.00 178.44 179.14 3gkf h SER 41 N 0.94 0.00 -0.63 -0.43 0.02 -0.41 0.84 113.55 113.88 3gkf h SER 41 Ca 0.31 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 61.18 3gkf h SER 41 Cb 0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3gkf h SER 41 CO -0.09 0.23 0.07 0.03 -1.14 0.00 0.00 176.83 175.92 3gkf h ARG 42 N 0.00 1.06 0.00 3.45 3.08 -0.19 -3.34 114.38 118.44 3gkf h ARG 42 Ca -0.00 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3gkf h ARG 42 Cb 0.69 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3gkf h ARG 42 CO 0.03 1.00 -0.03 0.82 -1.07 0.00 0.00 179.97 180.71 3gkf h ILE 43 N 0.97 1.75 -3.57 2.04 2.04 -1.05 -3.44 117.51 116.25 3gkf h ILE 43 Ca 0.19 -2.24 -0.64 0.00 1.00 0.00 0.00 64.86 63.17 3gkf h ILE 43 Cb 0.48 3.27 -0.21 0.00 -0.74 0.00 0.00 36.82 39.62 3gkf h ILE 43 CO 0.02 0.58 -0.61 -0.36 0.00 0.00 0.00 178.15 177.78 3gkf s PHE 44 N -2.43 3.12 0.13 1.37 0.08 0.19 -4.49 117.98 115.94 3gkf s PHE 44 Ca -0.18 -0.28 -0.31 0.00 0.12 0.00 0.00 56.93 56.27 3gkf s PHE 44 Cb -0.02 -2.20 -0.11 0.00 -0.57 0.00 0.00 43.02 40.12 3gkf s PHE 44 CO 0.69 -0.23 1.84 -1.71 -0.10 0.00 0.00 175.22 175.71 3gkf n ASN 45 N 4.57 4.05 -0.34 1.36 2.85 0.16 -4.48 115.26 123.43 3gkf n ASN 45 Ca -0.16 0.99 -0.03 0.00 -0.11 0.00 0.00 54.58 55.27 3gkf n ASN 45 Cb 0.52 -1.55 0.10 0.00 1.24 0.00 0.00 39.78 40.09 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 8.48 1.27 0.23 1.20 0.11 -1.90 2.56 132.00 143.95 3gkf h PRO 46 Ca -0.46 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.51 3gkf h PRO 46 Cb 1.22 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3gkf h PRO 46 CO 0.95 0.90 -0.11 0.87 -0.21 0.00 0.00 178.00 180.39 3gkf h LYS 47 N 1.28 -0.30 0.00 1.05 1.79 -1.98 -3.31 116.57 115.11 3gkf h LYS 47 Ca 0.33 0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3gkf h LYS 47 Cb -0.03 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 3gkf h LYS 47 CO -0.06 -0.14 -1.25 0.25 -1.08 0.00 0.00 179.45 177.17 3gkf n THR 48 N -5.19 0.02 -2.13 -0.16 -2.24 -1.08 -4.98 114.28 98.52 3gkf n THR 48 Ca -0.09 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.39 3gkf n THR 48 Cb 0.17 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 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 1.42 0.06 3.22 3.38 0.00 0.86 -4.97 105.19 109.16 3gkf n GLY 49 Ca 0.02 -0.32 -0.11 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 -4.45 1.10 -0.01 1.61 1.02 -1.20 -4.76 119.74 113.05 3gkf s LYS 50 Ca 0.00 -1.48 -0.08 0.00 0.02 0.00 0.00 55.97 54.43 3gkf s LYS 50 Cb 0.00 0.28 0.01 0.00 -0.52 0.00 0.00 37.83 37.60 3gkf s LYS 50 CO 0.00 -0.35 0.17 -0.08 -0.92 0.00 0.00 175.35 174.16 3gkf s THR 51 N -4.08 0.07 -0.28 2.17 -1.32 -0.41 -0.66 115.64 111.12 3gkf s THR 51 Ca 0.29 -0.54 -0.04 0.00 -1.21 0.00 0.00 61.69 60.19 3gkf s THR 51 Cb 0.06 -0.42 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 3gkf s THR 51 CO 0.06 -0.30 0.02 -0.69 -2.21 0.00 0.00 174.62 171.50 3gkf s VAL 52 N -1.11 3.45 -0.14 5.08 1.01 -1.26 -2.40 120.40 125.02 3gkf s VAL 52 Ca -0.12 -0.88 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 3gkf s VAL 52 Cb -0.06 -2.79 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 3gkf s VAL 52 CO 0.02 0.11 -0.05 -0.32 0.00 0.00 0.00 175.10 174.86 3gkf s MET 53 N 1.41 3.57 -0.44 2.72 0.00 -0.66 -0.57 119.30 125.33 3gkf s MET 53 Ca 0.01 -0.53 -0.10 0.00 0.00 0.00 0.00 55.69 55.07 3gkf s MET 53 Cb -0.17 -2.87 0.09 0.00 0.00 0.00 0.00 34.83 31.88 3gkf s MET 53 CO -0.01 0.29 0.31 -1.17 0.00 0.00 0.00 175.02 174.44 3gkf s LEU 54 N 0.23 5.37 -0.22 4.11 2.96 -0.10 -3.96 118.68 127.07 3gkf s LEU 54 Ca -0.03 -1.58 -0.10 0.00 -0.22 0.00 0.00 54.13 52.21 3gkf s LEU 54 Cb -0.14 -2.03 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3gkf s LEU 54 CO 0.03 -0.60 0.13 0.00 -1.32 0.00 0.00 176.35 174.60 3gkf s ALA 55 N 1.45 3.58 -0.36 5.97 0.00 -1.26 -1.45 121.76 129.68 3gkf s ALA 55 Ca 0.04 -0.83 0.14 0.00 0.00 0.00 0.00 51.96 51.30 3gkf s ALA 55 Cb -0.24 -2.22 0.44 0.00 0.00 0.00 0.00 23.12 21.10 3gkf s ALA 55 CO 0.02 -0.07 0.99 1.97 0.00 0.00 0.00 175.76 178.67 3gkf n PHE 56 N 4.02 1.84 1.16 0.00 1.16 0.91 -4.72 117.46 121.83 3gkf n PHE 56 Ca -0.16 -2.97 0.12 0.00 -1.87 0.00 0.00 57.45 52.58 3gkf n PHE 56 Cb 0.52 -0.30 0.23 0.00 -1.61 0.00 0.00 39.48 38.32 3gkf n PHE 56 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3gkf n ASP 57 N -0.17 2.06 0.23 5.98 5.75 -1.21 -4.51 116.55 124.67 3gkf n ASP 57 Ca 0.19 -1.57 0.17 0.00 -0.01 0.00 0.00 54.79 53.57 3gkf n ASP 57 Cb 0.75 0.14 0.86 0.00 -1.03 0.00 0.00 41.12 41.84 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 2.98 0.00 -0.11 2.11 -0.00 -1.92 0.63 115.15 118.84 3gkf h HIS 58 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.40 3gkf h HIS 58 Cb 0.73 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.14 3gkf h HIS 58 CO 0.00 0.00 0.40 0.78 -0.00 0.00 0.00 177.93 179.11 3gkf h GLY 59 N 0.00 0.00 1.40 2.45 0.00 -1.79 -1.84 103.07 103.29 3gkf h GLY 59 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.41 3gkf h GLY 59 CO -0.00 0.00 0.40 0.10 0.00 0.00 0.00 176.54 177.04 3gkf h TYR 60 N 0.00 0.75 0.00 5.60 -0.00 -1.16 -2.10 116.97 120.06 3gkf h TYR 60 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 58.73 58.80 3gkf h TYR 60 Cb 0.86 -0.26 0.00 0.00 0.00 0.00 0.00 36.73 37.33 3gkf h TYR 60 CO 0.00 0.47 0.00 1.97 -0.00 0.00 0.00 178.16 180.60 3gkf n PHE 61 N -4.45 0.00 0.29 0.10 1.16 -1.03 -4.71 117.46 108.82 3gkf n PHE 61 Ca 0.06 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.67 3gkf n PHE 61 Cb 0.05 0.00 -0.03 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 -0.34 4.97 0.00 3.97 6.02 -0.72 -1.66 117.38 129.62 3gkf n GLN 62 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3gkf n GLN 62 Cb 0.03 -0.79 0.00 0.00 1.02 0.00 0.00 30.24 30.50 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 1.15 -0.15 3.01 1.08 0.00 -0.80 -4.16 105.19 105.32 3gkf n GLY 63 Ca 0.01 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 2.00 -1.01 1.61 -0.02 -1.26 -4.00 135.00 132.31 3gkf n PRO 64 Ca 0.00 -2.16 -0.34 0.00 -2.02 0.00 0.00 63.50 58.98 3gkf n PRO 64 Cb 0.00 -3.09 0.10 0.00 -0.02 0.00 0.00 33.50 30.49 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 5.80 0.95 -1.70 3.45 -1.04 -1.26 -4.61 114.28 115.87 3gkf n THR 65 Ca 0.50 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.83 3gkf n THR 65 Cb 0.40 -0.75 -0.03 0.00 -1.82 0.00 0.00 70.33 68.13 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 -2.18 2.41 0.00 12.58 2.01 -1.26 -1.42 115.64 127.77 3gkf s THR 66 Ca 0.62 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.63 3gkf s THR 66 Cb -0.27 -3.00 0.00 0.00 0.01 0.00 0.00 72.50 69.24 3gkf s THR 66 CO 0.61 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 3gkf n GLY 67 N 4.22 2.78 0.97 4.40 0.00 -1.26 -4.78 105.19 111.51 3gkf n GLY 67 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 3.49 -0.08 0.99 4.77 -0.51 -4.64 117.00 121.03 3gkf n LEU 68 Ca 0.00 -2.11 -0.07 0.00 -0.03 0.00 0.00 56.01 53.80 3gkf n LEU 68 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.72 3gkf n LEU 68 CO 0.00 0.81 0.78 -0.33 -1.33 0.00 0.00 177.39 177.33 3gkf h GLU 69 N 2.90 -0.05 -3.02 3.23 3.07 -1.76 -3.32 114.58 115.63 3gkf h GLU 69 Ca 0.00 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 0.93 0.01 -0.40 0.00 -0.84 0.00 0.00 28.75 28.45 3gkf h GLU 69 CO 0.04 -0.03 -0.71 1.03 -1.40 0.00 0.00 179.01 177.93 3gkf s ARG 70 N -6.19 1.58 0.24 2.33 1.81 -1.26 -4.94 118.95 112.51 3gkf s ARG 70 Ca -0.14 -2.36 -0.06 0.00 -1.72 0.00 0.00 55.73 51.46 3gkf s ARG 70 Cb 0.13 -2.62 0.41 0.00 -0.45 0.00 0.00 34.95 32.42 3gkf s ARG 70 CO 0.69 -1.19 1.72 0.82 -0.68 0.00 0.00 175.30 176.66 3gkf h ILE 71 N 5.09 0.66 -0.06 1.52 1.08 -1.88 0.18 117.51 124.10 3gkf h ILE 71 Ca 0.03 -0.14 0.02 0.00 -0.39 0.00 0.00 64.86 64.38 3gkf h ILE 71 Cb 0.89 0.22 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 3gkf h ILE 71 CO 0.55 0.07 0.06 -2.24 -0.69 0.00 0.00 178.15 175.90 3gkf h ASP 72 N 0.40 0.00 0.00 1.72 2.03 -1.92 -0.07 116.42 118.58 3gkf h ASP 72 Ca 0.39 0.00 -0.22 0.00 -0.73 0.00 0.00 57.03 56.47 3gkf h ASP 72 Cb 0.58 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.04 3gkf h ASP 72 CO -0.40 0.00 -1.63 -0.38 -1.03 0.00 0.00 179.24 175.80 3gkf n ILE 73 N -3.92 1.17 -0.03 4.15 5.41 -0.83 -4.23 119.36 121.07 3gkf n ILE 73 Ca -0.02 -0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.51 3gkf n ILE 73 Cb 0.16 -1.87 -0.06 0.00 -0.71 0.00 0.00 39.64 37.15 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 0.19 0.32 4.38 -1.24 -0.98 -3.36 115.58 114.20 3gkf h ASN 74 Ca -0.33 -0.24 -0.20 0.00 0.71 0.00 0.00 56.30 56.23 3gkf h ASN 74 Cb 1.19 -0.05 -0.04 0.00 0.73 0.00 0.00 38.32 40.16 3gkf h ASN 74 CO -0.20 0.38 -1.87 -0.38 -1.29 0.00 0.00 177.43 174.07 3gkf n ILE 75 N -4.85 1.02 -0.27 2.57 2.08 -0.14 -4.39 119.36 115.39 3gkf n ILE 75 Ca -0.06 -0.71 0.06 0.00 0.56 0.00 0.00 62.75 62.61 3gkf n ILE 75 Cb 0.16 -0.50 0.20 0.00 -0.75 0.00 0.00 39.64 38.75 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 1.39 1.12 0.00 -1.39 0.00 -1.44 0.42 119.26 119.36 3gkf h ALA 76 Ca -0.26 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3gkf h ALA 76 Cb 1.69 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.58 3gkf h ALA 76 CO 0.03 -0.22 -0.04 -1.35 0.00 0.00 0.00 179.25 177.68 3gkf h PRO 77 N 0.45 0.00 0.00 0.00 0.10 -1.76 -3.06 132.00 127.72 3gkf h PRO 77 Ca 0.44 0.00 -0.08 0.00 0.10 0.00 0.00 66.00 66.45 3gkf h PRO 77 Cb 0.69 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.77 3gkf h PRO 77 CO -0.42 0.04 -0.40 -0.07 0.10 0.00 0.00 178.00 177.25 3gkf h LEU 78 N 0.00 0.00 -0.31 2.35 3.38 -0.39 -3.38 115.31 116.96 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 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 3gkf h LEU 78 CO 0.00 0.40 -0.12 -0.26 0.09 0.00 0.00 178.44 178.55 3gkf h PHE 79 N 0.00 -0.29 0.00 1.13 0.04 -1.49 -2.27 116.94 114.06 3gkf h PHE 79 Ca -0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3gkf h PHE 79 Cb 1.25 0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.58 3gkf h PHE 79 CO 0.00 -0.19 0.10 1.05 -0.60 0.00 0.00 178.31 178.66 3gkf h GLU 80 N -0.07 0.00 -0.62 1.51 4.11 -1.83 -0.74 114.58 116.94 3gkf h GLU 80 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.59 3gkf h GLU 80 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3gkf h GLU 80 CO -0.35 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.45 3gkf n HIS 81 N -2.76 1.37 -4.27 2.06 8.25 -0.85 -4.91 115.22 114.11 3gkf n HIS 81 Ca -0.02 -0.61 -0.30 0.00 -0.26 0.00 0.00 57.72 56.53 3gkf n HIS 81 Cb 0.15 -0.22 -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 -1.79 2.94 0.05 -1.41 0.00 -0.29 -4.89 121.76 116.38 3gkf s ALA 82 Ca 0.49 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 3gkf s ALA 82 Cb 0.31 -0.91 -0.26 0.00 0.00 0.00 0.00 23.12 22.27 3gkf s ALA 82 CO 0.24 0.64 1.13 -0.44 0.00 0.00 0.00 175.76 177.33 3gkf h ASP 83 N 3.74 0.82 -4.21 0.00 3.32 -1.14 -3.47 116.42 115.49 3gkf h ASP 83 Ca -0.49 -0.78 -0.16 0.00 0.02 0.00 0.00 57.03 55.62 3gkf h ASP 83 Cb 1.17 -0.26 -0.24 0.00 0.22 0.00 0.00 39.33 40.22 3gkf h ASP 83 CO 0.52 1.51 -0.42 0.54 -1.72 0.00 0.00 179.24 179.67 3gkf s VAL 84 N -3.14 0.02 0.07 -1.35 0.11 -1.05 -4.12 120.40 110.95 3gkf s VAL 84 Ca -0.10 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.76 3gkf s VAL 84 Cb 0.06 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 3gkf s VAL 84 CO 0.91 -0.11 0.16 -0.76 -3.33 0.00 0.00 175.10 171.96 3gkf s LEU 85 N -0.37 4.13 -0.12 2.54 1.43 0.44 -0.92 118.68 125.80 3gkf s LEU 85 Ca -0.05 0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 53.18 3gkf s LEU 85 Cb -0.03 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.47 3gkf s LEU 85 CO 0.01 0.17 0.01 -0.32 0.23 0.00 0.00 176.35 176.45 3gkf s MET 86 N -2.48 0.70 0.25 1.70 -2.45 -0.53 -0.17 119.30 116.32 3gkf s MET 86 Ca 0.33 -0.13 -0.02 0.00 -1.25 0.00 0.00 55.69 54.62 3gkf s MET 86 Cb -0.13 -1.47 0.01 0.00 1.25 0.00 0.00 34.83 34.49 3gkf s MET 86 CO 0.26 -0.43 0.37 0.00 1.05 0.00 0.00 175.02 176.26 3gkf s THR 88 N -2.68 3.30 0.16 0.00 -4.23 -1.26 -1.32 115.64 109.62 3gkf s THR 88 Ca 0.20 0.24 0.16 0.00 -1.18 0.00 0.00 61.69 61.11 3gkf s THR 88 Cb -0.01 -3.39 0.07 0.00 1.34 0.00 0.00 72.50 70.51 3gkf s THR 88 CO 0.14 -0.48 1.65 0.08 -0.54 0.00 0.00 174.62 175.48 3gkf h ARG 89 N -0.55 0.00 0.07 3.99 0.11 -1.97 -1.37 114.38 114.65 3gkf h ARG 89 Ca -0.45 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.63 3gkf h ARG 89 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 3gkf h ARG 89 CO 0.63 0.48 -0.03 0.78 0.10 0.00 0.00 179.97 181.92 3gkf h GLY 90 N 2.19 -0.10 0.89 0.08 0.00 -1.96 -2.26 103.07 101.92 3gkf h GLY 90 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.34 3gkf h GLY 90 CO 0.06 -0.04 0.08 -2.22 0.00 0.00 0.00 176.54 174.43 3gkf h ILE 91 N -0.40 1.20 -0.36 2.60 1.08 -1.93 -2.38 117.51 117.33 3gkf h ILE 91 Ca -0.01 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 63.88 3gkf h ILE 91 Cb 0.34 1.10 -0.08 0.00 -3.07 0.00 0.00 36.82 35.12 3gkf h ILE 91 CO 0.02 0.22 -0.17 0.25 -0.69 0.00 0.00 178.15 177.77 3gkf h LEU 92 N 0.30 -0.58 -0.37 1.44 5.85 -1.28 0.12 115.31 120.78 3gkf h LEU 92 Ca 0.09 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 3gkf h LEU 92 Cb 0.25 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3gkf h LEU 92 CO -0.00 -0.21 -0.07 0.03 -0.34 0.00 0.00 178.44 177.85 3gkf h ARG 93 N -0.11 0.70 -0.07 1.25 3.08 -1.32 -2.74 114.38 115.17 3gkf h ARG 93 Ca 0.18 -0.26 -0.18 0.00 0.07 0.00 0.00 59.98 59.79 3gkf h ARG 93 Cb 0.39 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.40 3gkf h ARG 93 CO -0.43 0.84 -0.66 0.66 -1.07 0.00 0.00 179.97 179.31 3gkf h SER 94 N 0.50 0.70 0.00 7.04 4.64 -1.02 -3.41 113.55 122.00 3gkf h SER 94 Ca 0.10 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.73 3gkf h SER 94 Cb 0.57 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3gkf h SER 94 CO 0.03 1.28 0.00 1.33 -0.87 0.00 0.00 176.83 178.60 3gkf n VAL 95 N -4.12 0.15 -3.74 0.95 0.24 0.37 -4.97 118.33 107.22 3gkf n VAL 95 Ca -0.09 -0.25 -0.37 0.00 -2.04 0.00 0.00 64.34 61.59 3gkf n VAL 95 Cb 0.69 1.29 -0.11 0.00 -1.47 0.00 0.00 33.84 34.24 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 -0.15 4.90 0.08 3.34 1.01 -1.03 -4.69 120.40 123.85 3gkf s VAL 96 Ca 0.00 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.69 3gkf s VAL 96 Cb 0.00 -3.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 3gkf s VAL 96 CO 0.00 0.34 1.30 -2.84 0.00 0.00 0.00 175.10 173.89 3gkf s PRO 97 N 1.33 4.37 0.39 2.72 0.02 -1.26 -4.72 135.00 137.85 3gkf s PRO 97 Ca 0.06 1.91 0.13 0.00 0.02 0.00 0.00 61.00 63.13 3gkf s PRO 97 Cb -0.15 -3.33 0.96 0.00 0.02 0.00 0.00 34.50 32.01 3gkf s PRO 97 CO 0.05 -0.37 1.87 -1.35 -0.33 0.00 0.00 177.00 176.88 3gkf h PRO 98 N 6.90 0.51 0.00 5.54 0.11 -1.95 0.94 132.00 144.05 3gkf h PRO 98 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3gkf h PRO 98 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3gkf h PRO 98 CO 0.84 0.34 0.00 0.00 -0.21 0.00 0.00 178.00 178.97 3gkf n ALA 99 N -2.48 1.98 0.30 -0.75 0.00 -1.26 -2.56 120.51 115.74 3gkf n ALA 99 Ca 0.18 -0.09 0.18 0.00 0.00 0.00 0.00 53.44 53.71 3gkf n ALA 99 Cb 0.57 -1.26 1.01 0.00 0.00 0.00 0.00 19.45 19.77 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 0.29 -6.63 0.00 2.02 -1.18 -3.44 112.91 103.96 3gkf h THR 100 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.65 3gkf h THR 100 Cb 0.08 0.95 -0.15 0.00 -1.74 0.00 0.00 68.15 67.28 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 -3.49 -3.18 -4.36 4.18 5.15 -1.06 -4.87 115.26 107.63 3gkf n ASN 101 Ca -0.02 -0.97 -0.30 0.00 -0.60 0.00 0.00 54.58 52.69 3gkf n ASN 101 Cb 0.14 -3.01 -0.14 0.00 -0.53 0.00 0.00 39.78 36.23 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 -6.82 1.86 0.36 1.20 6.06 -1.26 -5.11 118.95 115.23 3gkf s ARG 102 Ca 0.62 -1.08 -0.28 0.00 -2.50 0.00 0.00 55.73 52.49 3gkf s ARG 102 Cb -0.34 -2.01 -0.11 0.00 0.06 0.00 0.00 34.95 32.56 3gkf s ARG 102 CO 0.90 0.52 1.43 -2.14 -2.50 0.00 0.00 175.30 173.51 3gkf s PRO 103 N -1.23 4.19 0.09 5.12 0.02 -1.26 -4.81 135.00 137.13 3gkf s PRO 103 Ca 0.12 2.45 0.10 0.00 0.02 0.00 0.00 61.00 63.69 3gkf s PRO 103 Cb -0.10 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.38 3gkf s PRO 103 CO 0.02 -0.42 -0.25 0.14 -0.33 0.00 0.00 177.00 176.16 3gkf s VAL 104 N -1.12 2.32 -0.35 3.83 -7.23 -1.26 -0.42 120.40 116.17 3gkf s VAL 104 Ca 0.52 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 59.06 3gkf s VAL 104 Cb -0.44 -1.99 0.06 0.00 0.56 0.00 0.00 36.38 34.57 3gkf s VAL 104 CO 0.60 0.20 0.12 -0.69 -0.31 0.00 0.00 175.10 175.01 3gkf s VAL 105 N -0.98 3.59 0.08 1.32 1.01 0.76 -0.79 120.40 125.39 3gkf s VAL 105 Ca 0.14 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.45 3gkf s VAL 105 Cb -0.10 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 3gkf s VAL 105 CO 0.05 -0.28 1.25 -0.76 0.00 0.00 0.00 175.10 175.36 3gkf s LEU 106 N 1.33 4.37 -0.19 3.92 1.43 -0.29 -3.44 118.68 125.82 3gkf s LEU 106 Ca -0.00 2.10 -0.29 0.00 -1.03 0.00 0.00 54.13 54.91 3gkf s LEU 106 Cb -0.21 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 3gkf s LEU 106 CO 0.01 -0.51 1.22 -0.60 0.23 0.00 0.00 176.35 176.70 3gkf s ARG 107 N 1.03 4.22 -0.14 1.70 6.06 -0.43 0.17 118.95 131.55 3gkf s ARG 107 Ca 0.60 1.58 0.18 0.00 -2.50 0.00 0.00 55.73 55.59 3gkf s ARG 107 Cb -0.31 -3.75 0.32 0.00 0.06 0.00 0.00 34.95 31.27 3gkf s ARG 107 CO 0.30 -0.72 1.18 0.00 -2.50 0.00 0.00 175.30 173.56 3gkf n ALA 108 N 6.62 2.43 -2.39 6.12 0.00 0.32 -4.54 120.51 129.06 3gkf n ALA 108 Ca 0.14 -2.65 -0.20 0.00 0.00 0.00 0.00 53.44 50.73 3gkf n ALA 108 Cb 0.45 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.82 2.67 0.00 0.00 1.04 -1.22 0.11 113.70 113.48 3gkf s SER 109 Ca 0.33 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3gkf s SER 109 Cb 0.29 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.26 3gkf s SER 109 CO 0.03 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.60 3gkf n GLY 110 N -0.49 -0.56 1.62 7.32 0.00 -0.68 -4.62 105.19 107.78 3gkf n GLY 110 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.63 4.61 0.00 -1.26 -0.27 120.51 120.96 3gkf n ALA 111 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3gkf n ALA 111 Cb 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.37 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 -2.04 4.79 0.24 0.00 4.22 -1.23 -4.79 114.94 116.13 3gkf s ASN 112 Ca 0.00 -0.61 0.03 0.00 -2.14 0.00 0.00 52.86 50.14 3gkf s ASN 112 Cb 0.00 -0.91 -0.05 0.00 1.28 0.00 0.00 41.25 41.57 3gkf s ASN 112 CO 0.00 -0.12 0.02 -0.44 -2.04 0.00 0.00 177.10 174.52 3gkf s SER 113 N -3.77 1.72 0.00 3.54 0.01 -1.26 -4.41 113.70 109.53 3gkf s SER 113 Ca 0.34 -1.26 0.26 0.00 1.31 0.00 0.00 55.95 56.60 3gkf s SER 113 Cb -0.05 0.04 1.42 0.00 0.21 0.00 0.00 66.02 67.63 3gkf s SER 113 CO 0.22 -0.56 1.88 2.30 0.41 0.00 0.00 173.24 177.49 3gkf n ILE 114 N -0.44 0.10 1.26 1.44 -5.35 -0.66 -2.94 119.36 112.77 3gkf n ILE 114 Ca -0.04 0.02 0.13 0.00 -0.27 0.00 0.00 62.75 62.59 3gkf n ILE 114 Cb 0.64 -0.61 0.36 0.00 -1.74 0.00 0.00 39.64 38.29 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 1.25 0.00 7.28 4.77 -1.26 -4.96 117.00 122.94 3gkf n LEU 115 Ca 0.16 -0.37 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 3gkf n LEU 115 Cb 0.14 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3gkf n LEU 115 CO 0.17 0.23 0.00 0.00 -1.33 0.00 0.00 177.39 176.46 3gkf n ALA 116 N -0.41 0.00 -1.69 -1.18 0.00 -1.15 -5.10 120.51 110.98 3gkf n ALA 116 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.15 3gkf n ALA 116 Cb 0.37 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 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 2.83 -0.07 0.00 4.07 -1.26 -4.75 120.64 121.46 3gkf n GLU 117 Ca 0.00 1.03 -0.02 0.00 -0.06 0.00 0.00 57.16 58.11 3gkf n GLU 117 Cb 0.00 -2.93 0.23 0.00 -0.06 0.00 0.00 31.44 28.68 3gkf n GLU 117 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 3gkf h LEU 118 N 8.69 0.65 0.00 4.31 5.85 -1.96 -2.93 115.31 129.92 3gkf h LEU 118 Ca -0.46 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3gkf h LEU 118 Cb 1.22 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3gkf h LEU 118 CO 0.95 0.69 0.00 -1.54 -0.34 0.00 0.00 178.44 178.19 3gkf n SER 119 N -4.27 0.00 -4.09 1.25 3.41 -1.26 -4.54 113.62 104.12 3gkf n SER 119 Ca 0.03 -0.30 -0.40 0.00 -0.26 0.00 0.00 58.87 57.94 3gkf n SER 119 Cb 0.25 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.23 3.68 -4.64 4.04 5.15 -1.11 -4.58 115.26 116.57 3gkf n ASN 120 Ca 0.16 -2.80 -0.27 0.00 -0.60 0.00 0.00 54.58 51.08 3gkf n ASN 120 Cb 0.21 -1.57 -0.08 0.00 -0.53 0.00 0.00 39.78 37.82 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 4.52 2.31 0.18 1.20 2.02 -1.26 -3.49 118.70 124.18 3gkf s GLU 121 Ca 0.55 -1.15 0.03 0.00 0.02 0.00 0.00 54.97 54.43 3gkf s GLU 121 Cb 0.09 -2.30 -0.05 0.00 0.10 0.00 0.00 34.13 31.97 3gkf s GLU 121 CO 0.05 0.45 -0.04 0.00 0.02 0.00 0.00 175.26 175.74 3gkf s ALA 122 N -1.72 1.54 0.18 5.21 0.00 0.63 -4.71 121.76 122.90 3gkf s ALA 122 Ca 0.27 -1.61 -0.32 0.00 0.00 0.00 0.00 51.96 50.30 3gkf s ALA 122 Cb -0.09 0.33 -0.11 0.00 0.00 0.00 0.00 23.12 23.25 3gkf s ALA 122 CO 0.18 -0.21 1.72 0.08 0.00 0.00 0.00 175.76 177.52 3gkf s VAL 123 N -3.45 2.25 -2.21 0.00 1.01 -1.26 -1.68 120.40 115.05 3gkf s VAL 123 Ca 0.23 0.11 0.18 0.00 0.00 0.00 0.00 61.98 62.49 3gkf s VAL 123 Cb 0.05 -3.07 0.18 0.00 0.00 0.00 0.00 36.38 33.53 3gkf s VAL 123 CO 0.04 0.01 1.11 0.00 0.00 0.00 0.00 175.10 176.26 3gkf n ALA 124 N 4.36 2.45 -3.48 5.51 0.00 0.30 -4.83 120.51 124.82 3gkf n ALA 124 Ca 0.16 -0.70 -0.14 0.00 0.00 0.00 0.00 53.44 52.76 3gkf n ALA 124 Cb 0.36 -0.62 -0.04 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.47 -0.57 0.44 0.00 0.05 -1.25 -4.91 118.68 110.95 3gkf s LEU 125 Ca 0.23 0.31 -0.19 0.00 0.05 0.00 0.00 54.13 54.52 3gkf s LEU 125 Cb 0.16 2.47 -0.10 0.00 -2.05 0.00 0.00 46.19 46.67 3gkf s LEU 125 CO 0.23 -0.75 0.93 -0.94 -0.55 0.00 0.00 176.35 175.26 3gkf s SER 126 N -2.01 6.84 0.50 1.48 1.04 -1.26 -4.91 113.70 115.38 3gkf s SER 126 Ca -0.03 1.60 0.16 0.00 0.48 0.00 0.00 55.95 58.15 3gkf s SER 126 Cb -0.01 -2.51 1.22 0.00 0.10 0.00 0.00 66.02 64.82 3gkf s SER 126 CO -0.03 -0.39 2.11 -0.03 0.98 0.00 0.00 173.24 175.88 3gkf h MET 127 N 1.71 0.09 -0.25 4.02 4.05 -1.97 -1.25 114.93 121.34 3gkf h MET 127 Ca -0.48 -0.01 0.06 0.00 -0.28 0.00 0.00 59.70 58.99 3gkf h MET 127 Cb 1.18 -0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.89 3gkf h MET 127 CO 0.62 0.06 -0.21 0.22 0.23 0.00 0.00 176.91 177.82 3gkf h ASP 128 N 0.10 -0.69 0.08 1.39 3.58 -1.97 0.34 116.42 119.23 3gkf h ASP 128 Ca 0.06 0.13 -0.12 0.00 0.42 0.00 0.00 57.03 57.52 3gkf h ASP 128 Cb 0.14 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 3gkf h ASP 128 CO -0.01 -0.25 -0.42 -0.78 -2.88 0.00 0.00 179.24 174.90 3gkf h ASP 129 N -0.21 0.46 -0.95 2.28 3.58 -1.64 -1.32 116.42 118.61 3gkf h ASP 129 Ca 0.14 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.39 3gkf h ASP 129 Cb 0.43 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.30 3gkf h ASP 129 CO -0.37 0.82 0.61 0.00 -2.88 0.00 0.00 179.24 177.42 3gkf h ALA 130 N 1.20 1.29 -0.12 -0.78 0.00 -0.39 0.12 119.26 120.58 3gkf h ALA 130 Ca 0.03 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3gkf h ALA 130 Cb 0.88 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3gkf h ALA 130 CO 0.07 0.64 -0.62 0.28 0.00 0.00 0.00 179.25 179.62 3gkf h VAL 131 N 1.30 1.35 0.00 0.00 2.07 -0.22 -2.27 116.25 118.48 3gkf h VAL 131 Ca 0.35 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 3gkf h VAL 131 Cb -0.12 1.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3gkf h VAL 131 CO -0.07 0.59 -0.15 -0.09 0.02 0.00 0.00 177.57 177.87 3gkf h ARG 132 N 0.32 0.00 -0.67 1.57 2.43 0.08 -1.74 114.38 116.37 3gkf h ARG 132 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3gkf h ARG 132 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3gkf h ARG 132 CO 0.11 0.15 0.00 1.28 -1.51 0.00 0.00 179.97 180.00 3gkf n LEU 133 N -3.55 3.60 -3.71 3.80 4.77 0.27 -4.96 117.00 117.22 3gkf n LEU 133 Ca -0.01 -1.80 -0.24 0.00 -0.03 0.00 0.00 56.01 53.93 3gkf n LEU 133 Cb 0.29 -0.45 0.05 0.00 -2.33 0.00 0.00 43.42 40.98 3gkf n LEU 133 CO 0.31 0.90 0.08 -3.20 -1.33 0.00 0.00 177.39 174.15 3gkf n ASN 134 N 1.46 -3.54 -4.82 -1.43 5.15 -0.65 -4.94 115.26 106.49 3gkf n ASN 134 Ca 0.22 -0.72 -0.32 0.00 -0.60 0.00 0.00 54.58 53.17 3gkf n ASN 134 Cb 0.57 -4.37 0.03 0.00 -0.53 0.00 0.00 39.78 35.48 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 -3.81 5.71 0.12 1.20 0.01 -0.92 -4.76 113.70 111.26 3gkf s SER 135 Ca 0.34 1.65 0.22 0.00 1.31 0.00 0.00 55.95 59.47 3gkf s SER 135 Cb -0.16 -2.50 -0.11 0.00 0.21 0.00 0.00 66.02 63.45 3gkf s SER 135 CO 0.79 -1.22 0.85 0.00 0.41 0.00 0.00 173.24 174.07 3gkf s ALA 137 N -3.42 -1.87 0.09 0.00 0.00 -1.22 -4.04 121.76 111.30 3gkf s ALA 137 Ca -0.03 0.93 0.10 0.00 0.00 0.00 0.00 51.96 52.97 3gkf s ALA 137 Cb 0.11 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 3gkf s ALA 137 CO 0.83 -0.77 -0.26 0.14 0.00 0.00 0.00 175.76 175.70 3gkf s VAL 138 N -2.96 2.24 0.06 0.00 -7.23 -0.82 -1.13 120.40 110.55 3gkf s VAL 138 Ca 0.08 -1.59 0.06 0.00 -1.81 0.00 0.00 61.98 58.73 3gkf s VAL 138 Cb -0.01 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 3gkf s VAL 138 CO -0.06 0.21 -0.17 0.00 -0.31 0.00 0.00 175.10 174.77 3gkf s ALA 139 N -0.95 1.48 0.14 1.32 0.00 0.13 0.13 121.76 124.00 3gkf s ALA 139 Ca 0.13 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 3gkf s ALA 139 Cb -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3gkf s ALA 139 CO 0.04 0.29 0.30 0.00 0.00 0.00 0.00 175.76 176.40 3gkf s ALA 140 N -0.99 -0.35 -0.06 0.00 0.00 -0.52 0.12 121.76 119.96 3gkf s ALA 140 Ca 0.04 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.33 3gkf s ALA 140 Cb -0.09 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 3gkf s ALA 140 CO 0.02 -0.62 0.25 -0.65 0.00 0.00 0.00 175.76 174.76 3gkf s GLN 141 N -3.89 3.62 -0.01 0.00 -1.52 -1.26 -0.57 119.66 116.03 3gkf s GLN 141 Ca 0.10 0.07 0.04 0.00 -1.95 0.00 0.00 55.36 53.62 3gkf s GLN 141 Cb 0.03 -3.19 -0.03 0.00 -0.22 0.00 0.00 33.01 29.60 3gkf s GLN 141 CO -0.06 0.73 -0.12 0.54 -0.25 0.00 0.00 175.29 176.14 3gkf s VAL 142 N -1.08 3.28 -0.57 1.09 0.11 0.31 -4.76 120.40 118.79 3gkf s VAL 142 Ca 0.19 -0.84 0.07 0.00 -2.93 0.00 0.00 61.98 58.47 3gkf s VAL 142 Cb -0.14 -2.37 0.27 0.00 -1.53 0.00 0.00 36.38 32.61 3gkf s VAL 142 CO 0.09 0.45 0.74 -1.22 -3.33 0.00 0.00 175.10 171.82 3gkf n TYR 143 N 1.81 2.79 -1.77 1.54 4.01 -1.26 -1.11 117.16 123.17 3gkf n TYR 143 Ca -0.16 -4.00 -0.41 0.00 -0.16 0.00 0.00 57.90 53.16 3gkf n TYR 143 Cb 0.52 -0.50 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 0.74 1.74 0.00 -0.72 2.08 -1.26 -1.51 119.36 120.42 3gkf n ILE 144 Ca 0.28 -0.43 0.00 0.00 0.56 0.00 0.00 62.75 63.16 3gkf n ILE 144 Cb 0.44 -1.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.37 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 0.91 2.64 3.96 7.39 0.00 -1.26 -4.94 105.19 113.90 3gkf n GLY 145 Ca 0.03 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 -2.81 3.74 0.26 1.61 0.01 -0.57 -4.97 113.70 110.97 3gkf s SER 146 Ca 0.00 -0.08 -0.01 0.00 1.31 0.00 0.00 55.95 57.17 3gkf s SER 146 Cb 0.00 -0.13 0.33 0.00 0.21 0.00 0.00 66.02 66.43 3gkf s SER 146 CO 0.00 -2.29 1.72 -0.08 0.41 0.00 0.00 173.24 173.00 3gkf h GLU 147 N -1.06 0.67 -0.83 12.44 4.81 -1.94 -3.11 114.58 125.56 3gkf h GLU 147 Ca -0.40 -0.23 -0.54 0.00 -0.13 0.00 0.00 59.36 58.06 3gkf h GLU 147 Cb 1.25 -0.06 -0.30 0.00 0.63 0.00 0.00 28.75 30.28 3gkf h GLU 147 CO 0.39 0.79 0.28 0.66 -0.73 0.00 0.00 179.01 180.39 3gkf n TYR 148 N -4.16 2.74 0.05 0.92 4.01 -1.26 -4.67 117.16 114.79 3gkf n TYR 148 Ca 0.01 -2.44 0.02 0.00 -0.16 0.00 0.00 57.90 55.33 3gkf n TYR 148 Cb 0.37 -0.96 0.38 0.00 -0.31 0.00 0.00 39.34 38.82 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 1.74 0.42 0.04 -0.72 4.81 -1.69 -1.79 114.58 117.38 3gkf h GLU 149 Ca 0.49 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 3gkf h GLU 149 Cb 1.42 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.73 3gkf h GLU 149 CO 1.13 0.42 -0.02 1.25 -0.73 0.00 0.00 179.01 181.06 3gkf h HIS 150 N 0.42 -0.04 -0.91 0.92 2.76 -1.88 -2.25 115.15 114.16 3gkf h HIS 150 Ca 0.10 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3gkf h HIS 150 Cb 0.21 0.01 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 3gkf h HIS 150 CO 0.01 0.22 0.59 0.37 -1.30 0.00 0.00 177.93 177.82 3gkf h GLN 151 N -0.31 1.21 -0.94 5.26 5.75 -1.88 -1.42 115.11 122.78 3gkf h GLN 151 Ca -0.00 -0.08 0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3gkf h GLN 151 Cb 0.29 -0.27 -0.06 0.00 1.07 0.00 0.00 27.48 28.51 3gkf h GLN 151 CO 0.01 0.82 0.61 0.66 -2.65 0.00 0.00 178.83 178.27 3gkf h SER 152 N 1.24 0.99 -0.21 -0.69 4.64 -1.05 0.12 113.55 118.59 3gkf h SER 152 Ca 0.33 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.46 3gkf h SER 152 Cb -0.11 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.77 3gkf h SER 152 CO -0.07 0.66 -0.60 0.40 -0.87 0.00 0.00 176.83 176.35 3gkf h ILE 153 N 1.15 1.29 -0.92 0.95 2.04 -0.96 -2.66 117.51 118.39 3gkf h ILE 153 Ca 0.39 -1.81 0.11 0.00 1.00 0.00 0.00 64.86 64.55 3gkf h ILE 153 Cb 0.07 1.85 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 3gkf h ILE 153 CO -0.14 0.58 0.59 0.11 0.00 0.00 0.00 178.15 179.29 3gkf h LYS 154 N 0.52 0.86 -0.28 2.37 1.57 -0.71 0.13 116.57 121.03 3gkf h LYS 154 Ca -0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3gkf h LYS 154 Cb 1.22 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3gkf h LYS 154 CO 0.13 0.57 0.19 -0.91 -0.57 0.00 0.00 179.45 178.86 3gkf h ASN 155 N 0.89 0.33 -0.27 0.86 2.35 -0.51 0.51 115.58 119.74 3gkf h ASN 155 Ca 0.44 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 56.18 3gkf h ASN 155 Cb 0.48 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3gkf h ASN 155 CO -0.20 0.24 0.17 0.40 -1.65 0.00 0.00 177.43 176.39 3gkf h ILE 156 N 0.38 1.05 -0.28 2.81 1.08 -0.76 -1.78 117.51 120.02 3gkf h ILE 156 Ca 0.10 -0.12 0.07 0.00 -0.39 0.00 0.00 64.86 64.52 3gkf h ILE 156 Cb -0.04 0.68 -0.07 0.00 -3.07 0.00 0.00 36.82 34.32 3gkf h ILE 156 CO -0.02 0.06 -0.20 0.40 -0.69 0.00 0.00 178.15 177.70 3gkf h ILE 157 N 0.35 0.46 -0.38 -0.67 2.04 -0.52 -0.45 117.51 118.33 3gkf h ILE 157 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3gkf h ILE 157 Cb -0.03 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 3gkf h ILE 157 CO -0.03 0.00 0.04 -0.61 0.00 0.00 0.00 178.15 177.55 3gkf h GLN 158 N -0.18 0.58 -0.51 2.37 4.15 -0.63 0.13 115.11 121.01 3gkf h GLN 158 Ca 0.15 -0.12 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 3gkf h GLN 158 Cb 0.41 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.00 3gkf h GLN 158 CO -0.39 0.57 -0.18 -0.07 -1.93 0.00 0.00 178.83 176.84 3gkf h LEU 159 N 0.56 1.03 -0.42 -2.39 3.38 -0.51 -2.38 115.31 114.58 3gkf h LEU 159 Ca 0.12 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3gkf h LEU 159 Cb 0.30 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3gkf h LEU 159 CO 0.01 1.18 0.03 0.58 0.09 0.00 0.00 178.44 180.32 3gkf h VAL 160 N 0.88 1.25 -0.70 1.22 2.07 -0.08 0.36 116.25 121.25 3gkf h VAL 160 Ca 0.12 -0.97 0.09 0.00 0.82 0.00 0.00 66.70 66.77 3gkf h VAL 160 Cb 0.75 1.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.52 3gkf h VAL 160 CO 0.06 0.33 0.34 0.44 0.02 0.00 0.00 177.57 178.76 3gkf h ASP 161 N 0.56 0.43 -0.10 0.57 3.32 -0.94 -0.08 116.42 120.19 3gkf h ASP 161 Ca 0.12 0.06 -0.23 0.00 0.02 0.00 0.00 57.03 57.00 3gkf h ASP 161 Cb 0.44 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.00 3gkf h ASP 161 CO 0.02 0.25 -0.83 0.00 -1.72 0.00 0.00 179.24 176.95 3gkf h ALA 162 N 1.43 0.29 -0.11 3.45 0.00 -1.08 -3.25 119.26 119.98 3gkf h ALA 162 Ca 0.35 -0.62 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 3gkf h ALA 162 Cb 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3gkf h ALA 162 CO -0.27 0.69 -0.29 0.78 0.00 0.00 0.00 179.25 180.15 3gkf h GLY 163 N 0.57 0.23 2.00 0.00 0.00 0.38 -2.29 103.07 103.95 3gkf h GLY 163 Ca -0.07 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 3gkf h GLY 163 CO 0.17 0.16 -0.51 -0.33 0.00 0.00 0.00 176.54 176.03 3gkf h MET 164 N 0.19 0.00 0.00 4.80 2.07 -1.07 0.53 114.93 121.44 3gkf h MET 164 Ca 0.03 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.62 3gkf h MET 164 Cb 0.62 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.34 3gkf h MET 164 CO 0.04 0.51 -0.17 0.87 1.07 0.00 0.00 176.91 179.24 3gkf h LYS 165 N 0.00 0.00 0.00 1.72 1.57 -1.45 -3.34 116.57 115.07 3gkf h LYS 165 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3gkf h LYS 165 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 3gkf h LYS 165 CO 0.07 0.17 0.00 1.55 -0.57 0.00 0.00 179.45 180.67 3gkf n VAL 166 N -3.59 0.00 -0.50 0.50 3.14 -0.27 -5.00 118.33 112.61 3gkf n VAL 166 Ca -0.01 -0.30 0.00 0.00 -2.96 0.00 0.00 64.34 61.06 3gkf n VAL 166 Cb 0.31 1.27 0.00 0.00 -1.06 0.00 0.00 33.84 34.36 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 0.18 0.70 3.53 7.55 0.00 0.16 -4.97 105.19 112.35 3gkf n GLY 167 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.94 3.54 0.65 1.61 0.00 0.06 -3.91 119.30 120.31 3gkf s MET 168 Ca 0.00 -0.61 -0.16 0.00 0.00 0.00 0.00 55.69 54.92 3gkf s MET 168 Cb 0.00 -3.78 -0.00 0.00 0.00 0.00 0.00 34.83 31.05 3gkf s MET 168 CO 0.00 -0.41 1.14 -2.14 0.00 0.00 0.00 175.02 173.61 3gkf s PRO 169 N 1.72 2.77 -0.06 4.11 0.02 -1.26 -4.38 135.00 137.93 3gkf s PRO 169 Ca 0.06 1.53 0.05 0.00 0.02 0.00 0.00 61.00 62.66 3gkf s PRO 169 Cb -0.17 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.40 3gkf s PRO 169 CO 0.10 -1.30 -0.21 0.99 -0.33 0.00 0.00 177.00 176.25 3gkf s THR 170 N -2.12 2.40 -0.22 0.99 2.01 -1.26 -1.95 115.64 115.49 3gkf s THR 170 Ca 0.70 -0.95 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 3gkf s THR 170 Cb -0.23 -1.90 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 3gkf s THR 170 CO 0.39 0.57 0.03 -0.32 -0.69 0.00 0.00 174.62 174.61 3gkf s MET 171 N -0.28 3.68 -0.24 4.92 1.75 0.12 -0.96 119.30 128.29 3gkf s MET 171 Ca 0.01 -0.48 -0.12 0.00 -1.25 0.00 0.00 55.69 53.84 3gkf s MET 171 Cb -0.13 -3.18 -0.05 0.00 2.84 0.00 0.00 34.83 34.31 3gkf s MET 171 CO 0.03 -0.03 0.23 0.00 -0.65 0.00 0.00 175.02 174.60 3gkf s ALA 172 N 1.14 3.59 -0.13 4.11 0.00 -0.02 -1.43 121.76 129.02 3gkf s ALA 172 Ca 0.03 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 3gkf s ALA 172 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 3gkf s ALA 172 CO 0.02 -0.30 0.07 0.08 0.00 0.00 0.00 175.76 175.64 3gkf s VAL 173 N 1.28 4.89 -0.46 0.00 1.01 0.26 -0.94 120.40 126.43 3gkf s VAL 173 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 3gkf s VAL 173 Cb -0.14 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3gkf s VAL 173 CO 0.06 0.56 0.63 0.42 0.00 0.00 0.00 175.10 176.77 3gkf s THR 174 N -0.47 4.84 0.11 3.92 -4.23 -0.73 0.12 115.64 119.19 3gkf s THR 174 Ca 0.10 -0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.49 3gkf s THR 174 Cb -0.12 -4.24 -0.04 0.00 1.34 0.00 0.00 72.50 69.44 3gkf s THR 174 CO 0.02 -0.67 0.28 -0.83 -0.54 0.00 0.00 174.62 172.88 3gkf s GLY 175 N 2.23 2.09 0.00 3.99 0.00 -0.26 -4.82 107.32 110.55 3gkf s GLY 175 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.12 3gkf s GLY 175 CO 0.16 -0.77 0.00 -0.62 0.00 0.00 0.00 173.10 171.88 3gkf n VAL 176 N 0.03 0.00 -2.36 1.40 0.31 -1.26 -4.40 118.33 112.04 3gkf n VAL 176 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.25 3gkf n VAL 176 Cb 0.52 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.49 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 0.67 -4.19 5.55 0.63 -1.26 -5.06 116.66 113.00 3gkf n ARG 182 Ca 0.00 -0.88 -0.29 0.00 -0.92 0.00 0.00 57.85 55.76 3gkf n ARG 182 Cb 0.00 0.40 -0.03 0.00 0.45 0.00 0.00 32.46 33.28 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 -0.85 4.46 0.11 6.15 -4.77 -1.26 -4.98 116.67 115.53 3gkf s ASP 183 Ca 0.04 -1.42 -0.26 0.00 -3.30 0.00 0.00 52.55 47.61 3gkf s ASP 183 Cb 0.22 0.55 -0.10 0.00 -1.09 0.00 0.00 42.92 42.51 3gkf s ASP 183 CO -0.06 -1.07 1.66 -0.61 0.70 0.00 0.00 175.17 175.78 3gkf h GLN 184 N 0.91 -0.39 -1.01 2.11 -0.00 -1.92 -1.87 115.11 112.94 3gkf h GLN 184 Ca -0.39 0.03 0.23 0.00 -0.00 0.00 0.00 58.65 58.52 3gkf h GLN 184 Cb 1.31 0.09 -0.11 0.00 0.00 0.00 0.00 27.48 28.77 3gkf h GLN 184 CO 0.62 -0.26 0.62 0.07 0.00 0.00 0.00 178.83 179.88 3gkf h ARG 185 N -0.40 0.57 0.18 1.69 0.11 -1.94 0.20 114.38 114.79 3gkf h ARG 185 Ca 0.02 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.06 3gkf h ARG 185 Cb 0.41 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 31.37 3gkf h ARG 185 CO -0.10 0.38 -0.09 -0.92 0.10 0.00 0.00 179.97 179.34 3gkf h TYR 186 N 0.59 -0.23 0.00 4.08 3.20 -1.76 -2.44 116.97 120.41 3gkf h TYR 186 Ca 0.60 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.42 3gkf h TYR 186 Cb 1.18 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 3gkf h TYR 186 CO -0.00 0.09 -0.19 0.74 -1.64 0.00 0.00 178.16 177.16 3gkf h PHE 187 N -0.57 0.00 0.13 -3.82 0.04 -0.65 -1.20 116.94 110.87 3gkf h PHE 187 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.74 3gkf h PHE 187 Cb 0.42 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 3gkf h PHE 187 CO 0.03 0.19 -0.08 0.77 -0.60 0.00 0.00 178.31 178.62 3gkf h SER 188 N 0.00 -0.19 -0.01 2.17 0.02 -0.56 0.17 113.55 115.14 3gkf h SER 188 Ca -0.00 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3gkf h SER 188 Cb 0.41 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.97 3gkf h SER 188 CO 0.02 -0.13 -0.19 0.25 -1.14 0.00 0.00 176.83 175.65 3gkf h LEU 189 N -0.20 -0.56 -0.16 5.07 5.85 -0.83 -0.80 115.31 123.68 3gkf h LEU 189 Ca -0.01 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3gkf h LEU 189 Cb 0.17 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3gkf h LEU 189 CO 0.01 -0.25 0.06 0.00 -0.34 0.00 0.00 178.44 177.92 3gkf h ALA 190 N 0.61 0.20 -0.70 1.25 0.00 -1.09 -0.89 119.26 118.63 3gkf h ALA 190 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3gkf h ALA 190 Cb 0.38 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3gkf h ALA 190 CO -0.19 -0.21 0.20 1.79 0.00 0.00 0.00 179.25 180.85 3gkf h THR 191 N 0.09 1.26 -0.13 0.00 1.35 -0.60 -2.61 112.91 112.27 3gkf h THR 191 Ca 0.05 -0.92 -0.07 0.00 -0.55 0.00 0.00 66.41 64.92 3gkf h THR 191 Cb 0.18 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.11 3gkf h THR 191 CO -0.00 0.36 -0.20 -0.09 -0.25 0.00 0.00 175.52 175.34 3gkf h ARG 192 N 1.04 0.37 -0.30 4.72 9.65 -0.87 -1.31 114.38 127.68 3gkf h ARG 192 Ca 0.22 -0.22 0.04 0.00 -1.10 0.00 0.00 59.98 58.93 3gkf h ARG 192 Cb 0.33 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.89 3gkf h ARG 192 CO -0.00 0.80 0.07 0.82 2.80 0.00 0.00 179.97 184.45 3gkf h ILE 193 N -0.03 0.87 -0.64 1.20 2.04 -1.17 0.14 117.51 119.92 3gkf h ILE 193 Ca 0.01 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 65.87 3gkf h ILE 193 Cb 0.76 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.46 3gkf h ILE 193 CO 0.05 0.03 0.35 0.00 0.00 0.00 0.00 178.15 178.58 3gkf h ALA 194 N 1.22 0.85 -0.39 1.87 0.00 -1.34 0.18 119.26 121.65 3gkf h ALA 194 Ca 0.14 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3gkf h ALA 194 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3gkf h ALA 194 CO -0.18 0.03 -0.32 0.00 0.00 0.00 0.00 179.25 178.78 3gkf h ALA 195 N 1.34 0.57 -0.82 0.00 0.00 -0.65 -2.59 119.26 117.11 3gkf h ALA 195 Ca 0.29 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 3gkf h ALA 195 Cb 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3gkf h ALA 195 CO -0.18 0.62 0.38 1.49 0.00 0.00 0.00 179.25 181.56 3gkf h GLU 196 N 0.73 1.20 -0.19 0.00 4.57 -0.44 -1.75 114.58 118.69 3gkf h GLU 196 Ca 0.07 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 3gkf h GLU 196 Cb 0.91 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 3gkf h GLU 196 CO 0.08 0.94 0.03 0.52 -1.18 0.00 0.00 179.01 179.40 3gkf h MET 197 N 1.18 0.26 0.00 1.92 2.86 -0.59 -3.46 114.93 117.10 3gkf h MET 197 Ca 0.28 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3gkf h MET 197 Cb 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3gkf h MET 197 CO -0.03 0.26 0.00 0.41 1.06 0.00 0.00 176.91 178.61 3gkf n GLY 198 N -1.25 -0.44 3.73 8.32 0.00 -0.66 -4.93 105.19 109.95 3gkf n GLY 198 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gkf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf s ALA 199 N 0.00 3.86 -0.20 4.61 0.00 -1.04 -4.85 121.76 124.15 3gkf s ALA 199 Ca 0.00 1.53 0.17 0.00 0.00 0.00 0.00 51.96 53.66 3gkf s ALA 199 Cb 0.00 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 19.51 3gkf s ALA 199 CO 0.00 -0.89 1.30 1.96 0.00 0.00 0.00 175.76 178.13 3gkf h GLN 200 N 6.42 0.00 -4.70 0.00 7.50 -1.38 -3.42 115.11 119.53 3gkf h GLN 200 Ca -0.44 0.00 -0.52 0.00 0.50 0.00 0.00 58.65 58.19 3gkf h GLN 200 Cb 1.20 0.00 -0.33 0.00 0.05 0.00 0.00 27.48 28.41 3gkf h GLN 200 CO 0.92 0.33 -0.82 0.42 -1.50 0.00 0.00 178.83 178.18 3gkf s ILE 201 N -3.03 1.20 -0.15 2.54 1.01 -0.76 -3.82 121.20 118.20 3gkf s ILE 201 Ca 0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.10 3gkf s ILE 201 Cb 0.08 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 3gkf s ILE 201 CO 0.75 0.37 0.00 -0.63 0.00 0.00 0.00 174.94 175.43 3gkf s ILE 202 N 0.52 4.27 -0.12 2.92 -1.09 -0.47 -0.84 121.20 126.40 3gkf s ILE 202 Ca -0.12 -0.23 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 3gkf s ILE 202 Cb -0.15 -2.87 -0.01 0.00 -1.58 0.00 0.00 42.46 37.85 3gkf s ILE 202 CO 0.04 0.51 -0.17 -0.75 -1.23 0.00 0.00 174.94 173.34 3gkf s LYS 203 N 0.06 3.26 0.25 2.79 2.20 -0.12 -0.81 119.74 127.38 3gkf s LYS 203 Ca 0.02 -0.76 -0.05 0.00 -0.36 0.00 0.00 55.97 54.82 3gkf s LYS 203 Cb -0.13 -2.51 0.02 0.00 -1.51 0.00 0.00 37.83 33.70 3gkf s LYS 203 CO 0.02 0.20 0.43 -2.37 -0.36 0.00 0.00 175.35 173.26 3gkf n THR 204 N 3.54 0.00 -3.87 3.43 5.66 0.17 -1.78 114.28 121.43 3gkf n THR 204 Ca -0.18 -0.97 -0.29 0.00 -3.05 0.00 0.00 64.05 59.56 3gkf n THR 204 Cb 0.53 0.72 -0.04 0.00 -1.55 0.00 0.00 70.33 69.99 3gkf n THR 204 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 3gkf s TYR 205 N -3.95 3.50 0.45 1.09 2.02 -1.26 -0.10 117.35 119.09 3gkf s TYR 205 Ca 0.16 0.24 -0.21 0.00 -0.37 0.00 0.00 57.07 56.89 3gkf s TYR 205 Cb -0.02 -1.76 -0.10 0.00 -0.40 0.00 0.00 41.96 39.68 3gkf s TYR 205 CO 0.11 0.51 0.97 -0.47 -1.57 0.00 0.00 175.55 175.11 3gkf s TYR 206 N -1.67 3.24 -0.04 2.71 5.04 -1.26 -4.95 117.35 120.43 3gkf s TYR 206 Ca 0.36 1.60 0.01 0.00 -2.44 0.00 0.00 57.07 56.60 3gkf s TYR 206 Cb -0.12 -2.90 0.02 0.00 0.35 0.00 0.00 41.96 39.31 3gkf s TYR 206 CO 0.28 -0.28 -0.05 0.08 -1.34 0.00 0.00 175.55 174.24 3gkf s VAL 207 N -2.14 0.53 0.36 3.14 1.01 -1.26 -5.03 120.40 117.00 3gkf s VAL 207 Ca 0.63 -0.14 0.10 0.00 0.00 0.00 0.00 61.98 62.57 3gkf s VAL 207 Cb -0.11 -0.54 0.10 0.00 0.00 0.00 0.00 36.38 35.84 3gkf s VAL 207 CO 0.15 0.21 1.83 -0.33 0.00 0.00 0.00 175.10 176.96 3gkf h GLU 208 N 7.02 0.16 -5.09 2.72 5.08 -1.97 -3.32 114.58 119.18 3gkf h GLU 208 Ca -0.38 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.26 3gkf h GLU 208 Cb 1.16 -0.01 -0.34 0.00 0.50 0.00 0.00 28.75 30.06 3gkf h GLU 208 CO 0.48 0.44 -0.84 0.21 -1.00 0.00 0.00 179.01 178.30 3gkf s LYS 209 N -4.38 3.05 0.00 2.33 2.20 -1.26 -4.80 119.74 116.88 3gkf s LYS 209 Ca -0.04 -0.81 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 3gkf s LYS 209 Cb 0.14 -2.60 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 3gkf s LYS 209 CO 0.74 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.98 3gkf n GLY 210 N 4.51 0.78 0.41 5.54 0.00 -1.26 -4.40 105.19 110.77 3gkf n GLY 210 Ca -0.20 -0.08 0.21 0.00 0.00 0.00 0.00 46.02 45.94 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 0.30 -0.99 1.61 3.57 -1.87 -0.67 116.94 118.89 3gkf h PHE 211 Ca 0.00 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3gkf h PHE 211 Cb 0.00 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 3gkf h PHE 211 CO 0.00 0.09 0.64 0.93 -2.23 0.00 0.00 178.31 177.74 3gkf h GLU 212 N 0.24 1.16 -0.23 1.11 5.08 -1.91 -0.42 114.58 119.60 3gkf h GLU 212 Ca 0.40 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.59 3gkf h GLU 212 Cb 1.19 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3gkf h GLU 212 CO -0.09 0.77 -0.25 0.00 -1.00 0.00 0.00 179.01 178.44 3gkf h ARG 213 N 1.20 0.43 0.24 2.33 3.08 -1.50 0.18 114.38 120.33 3gkf h ARG 213 Ca 0.41 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3gkf h ARG 213 Cb 0.10 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3gkf h ARG 213 CO -0.15 0.65 -0.11 0.82 -1.07 0.00 0.00 179.97 180.11 3gkf h ILE 214 N 0.38 0.82 -0.17 2.04 2.04 -1.01 -0.50 117.51 121.12 3gkf h ILE 214 Ca 0.06 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3gkf h ILE 214 Cb 0.65 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3gkf h ILE 214 CO 0.05 0.08 0.10 0.58 0.00 0.00 0.00 178.15 178.96 3gkf h VAL 215 N -0.51 1.03 -0.53 1.67 2.07 -0.95 -2.13 116.25 116.89 3gkf h VAL 215 Ca -0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 3gkf h VAL 215 Cb 0.38 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3gkf h VAL 215 CO 0.05 0.04 0.29 0.00 0.02 0.00 0.00 177.57 177.98 3gkf h ALA 216 N 1.07 1.51 0.00 1.67 0.00 -0.54 -1.52 119.26 121.45 3gkf h ALA 216 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3gkf h ALA 216 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gkf h ALA 216 CO -0.02 0.41 0.00 0.78 0.00 0.00 0.00 179.25 180.41 3gkf h GLY 217 N 0.81 0.00 -5.59 0.00 0.00 -0.82 -3.44 103.07 94.03 3gkf h GLY 217 Ca 0.19 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.94 3gkf h GLY 217 CO -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 176.54 176.49 3gkf n PRO 219 N 4.15 1.62 -4.23 0.00 -0.04 -1.26 -4.90 135.00 130.34 3gkf n PRO 219 Ca -0.04 -0.93 -0.13 0.00 -0.04 0.00 0.00 63.50 62.36 3gkf n PRO 219 Cb 0.51 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.79 0.11 0.33 0.52 -7.23 -1.26 -3.57 120.40 107.51 3gkf s VAL 220 Ca 0.30 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.18 3gkf s VAL 220 Cb 0.16 -2.53 -0.12 0.00 0.56 0.00 0.00 36.38 34.45 3gkf s VAL 220 CO 0.24 0.00 1.42 -2.65 -0.31 0.00 0.00 175.10 173.79 3gkf n PRO 221 N -0.32 2.38 -4.69 4.82 -0.02 -1.24 -4.77 135.00 131.16 3gkf n PRO 221 Ca 0.02 0.84 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 3gkf n PRO 221 Cb 0.66 -2.51 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 3gkf n PRO 221 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gkf s ILE 222 N -0.80 3.43 0.02 4.25 1.01 -1.26 -1.37 121.20 126.50 3gkf s ILE 222 Ca 0.58 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.74 3gkf s ILE 222 Cb -0.54 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.49 3gkf s ILE 222 CO 0.59 0.56 -0.22 -0.69 0.00 0.00 0.00 174.94 175.18 3gkf s VAL 223 N -0.35 1.78 -0.08 2.92 1.01 0.01 0.64 120.40 126.32 3gkf s VAL 223 Ca 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.88 3gkf s VAL 223 Cb -0.12 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 3gkf s VAL 223 CO 0.02 0.34 -0.03 0.27 0.00 0.00 0.00 175.10 175.70 3gkf s ILE 224 N -0.70 4.00 0.30 2.22 -4.36 -0.84 -0.66 121.20 121.16 3gkf s ILE 224 Ca 0.09 -0.36 -0.15 0.00 -0.26 0.00 0.00 60.65 59.96 3gkf s ILE 224 Cb -0.09 -2.66 -0.09 0.00 1.25 0.00 0.00 42.46 40.87 3gkf s ILE 224 CO 0.01 0.60 0.71 0.00 0.24 0.00 0.00 174.94 176.50 3gkf s ALA 225 N -0.77 3.36 0.09 2.27 0.00 0.85 0.99 121.76 128.54 3gkf s ALA 225 Ca 0.12 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.95 3gkf s ALA 225 Cb -0.11 -2.74 -0.13 0.00 0.00 0.00 0.00 23.12 20.14 3gkf s ALA 225 CO 0.02 0.35 1.33 0.78 0.00 0.00 0.00 175.76 178.24 3gkf h GLY 226 N 2.43 0.76 0.00 0.00 0.00 -0.76 -3.40 103.07 102.11 3gkf h GLY 226 Ca -0.48 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 45.90 3gkf h GLY 226 CO 0.66 0.85 0.00 0.61 0.00 0.00 0.00 176.54 178.66 3gkf n GLY 227 N 0.49 -1.30 3.73 4.60 0.00 -1.26 -4.93 105.19 106.52 3gkf n GLY 227 Ca -0.06 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.17 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 2.32 0.34 1.61 -2.85 -1.26 -4.45 119.74 115.45 3gkf s LYS 228 Ca 0.00 1.78 -0.29 0.00 -1.00 0.00 0.00 55.97 56.46 3gkf s LYS 228 Cb 0.00 -1.85 -0.11 0.00 -2.06 0.00 0.00 37.83 33.81 3gkf s LYS 228 CO 0.00 -1.70 1.55 0.21 0.10 0.00 0.00 175.35 175.51 3gkf s LYS 229 N -3.79 4.10 0.30 1.78 2.47 -1.26 -4.82 119.74 118.52 3gkf s LYS 229 Ca 0.75 2.60 0.06 0.00 -1.56 0.00 0.00 55.97 57.82 3gkf s LYS 229 Cb -0.30 -2.99 -0.06 0.00 -1.46 0.00 0.00 37.83 33.02 3gkf s LYS 229 CO 0.43 -0.60 -0.01 -0.51 0.16 0.00 0.00 175.35 174.81 3gkf s LEU 230 N -1.30 2.40 0.32 5.43 1.43 -1.26 -5.03 118.68 120.67 3gkf s LEU 230 Ca 0.58 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.13 3gkf s LEU 230 Cb -0.48 -0.55 -0.12 0.00 0.03 0.00 0.00 46.19 45.08 3gkf s LEU 230 CO 0.56 -0.44 1.47 -0.81 0.23 0.00 0.00 176.35 177.36 3gkf n PRO 231 N -0.63 2.49 -0.16 1.29 -0.04 -1.26 -4.78 135.00 131.91 3gkf n PRO 231 Ca -0.04 0.88 -0.02 0.00 -0.04 0.00 0.00 63.50 64.28 3gkf n PRO 231 Cb 0.65 -2.59 0.07 0.00 -0.04 0.00 0.00 33.50 31.59 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 3.64 0.17 -0.87 0.54 3.07 -1.99 0.15 114.58 119.29 3gkf h GLU 232 Ca -0.48 -0.01 0.23 0.00 -0.50 0.00 0.00 59.36 58.60 3gkf h GLU 232 Cb 1.25 -0.04 -0.14 0.00 -0.84 0.00 0.00 28.75 28.99 3gkf h GLU 232 CO 0.70 0.11 0.27 -0.09 -1.40 0.00 0.00 179.01 178.60 3gkf h ARG 233 N 0.17 0.24 -0.17 2.33 1.12 -1.98 0.24 114.38 116.34 3gkf h ARG 233 Ca 0.26 -0.01 -0.19 0.00 -1.11 0.00 0.00 59.98 58.93 3gkf h ARG 233 Cb 0.38 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 3gkf h ARG 233 CO -0.39 0.16 -0.67 0.93 -3.11 0.00 0.00 179.97 176.90 3gkf h GLU 234 N 0.25 0.65 -0.29 0.20 5.08 -1.10 -2.30 114.58 117.08 3gkf h GLU 234 Ca 0.55 -0.48 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3gkf h GLU 234 Cb 1.08 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3gkf h GLU 234 CO -0.62 1.10 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 3gkf h ALA 235 N 0.78 0.39 -0.95 3.43 0.00 -0.39 -1.88 119.26 120.65 3gkf h ALA 235 Ca -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3gkf h ALA 235 Cb 1.26 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3gkf h ALA 235 CO 0.13 0.12 0.62 -0.07 0.00 0.00 0.00 179.25 180.05 3gkf h LEU 236 N 0.29 1.04 -0.62 0.00 3.38 -0.55 0.54 115.31 119.40 3gkf h LEU 236 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3gkf h LEU 236 Cb 0.42 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3gkf h LEU 236 CO 0.01 0.72 0.34 -0.08 0.09 0.00 0.00 178.44 179.53 3gkf h GLU 237 N 1.21 0.85 -0.22 1.13 4.22 -1.13 0.59 114.58 121.24 3gkf h GLU 237 Ca 0.37 -0.10 0.03 0.00 0.08 0.00 0.00 59.36 59.74 3gkf h GLU 237 Cb -0.03 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3gkf h GLU 237 CO -0.11 0.64 0.04 1.98 -2.18 0.00 0.00 179.01 179.38 3gkf h MET 238 N 0.84 0.12 0.19 1.92 4.05 -0.66 0.10 114.93 121.49 3gkf h MET 238 Ca 0.22 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.64 3gkf h MET 238 Cb 0.03 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.76 3gkf h MET 238 CO -0.04 0.08 -0.52 0.00 0.23 0.00 0.00 176.91 176.66 3gkf h TRP 240 N -0.80 0.38 -0.13 0.00 7.01 0.62 -1.25 115.95 121.78 3gkf h TRP 240 Ca -0.02 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 3gkf h TRP 240 Cb 0.78 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 3gkf h TRP 240 CO -0.42 -0.01 0.06 1.96 -2.79 0.00 0.00 178.44 177.24 3gkf h GLN 241 N 0.35 0.18 -0.05 2.65 1.08 -0.39 0.11 115.11 119.04 3gkf h GLN 241 Ca 0.40 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.59 3gkf h GLN 241 Cb 0.63 -0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.00 3gkf h GLN 241 CO -0.44 0.26 -0.10 0.00 -0.95 0.00 0.00 178.83 177.60 3gkf h ALA 242 N 0.91 -0.07 -0.06 3.87 0.00 0.19 0.66 119.26 124.76 3gkf h ALA 242 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3gkf h ALA 242 Cb 0.15 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gkf h ALA 242 CO -0.00 -0.58 0.01 0.82 0.00 0.00 0.00 179.25 179.50 3gkf h ILE 243 N -0.15 0.98 -0.60 0.00 1.08 -1.20 -1.12 117.51 116.49 3gkf h ILE 243 Ca 0.05 -0.01 0.16 0.00 -0.39 0.00 0.00 64.86 64.67 3gkf h ILE 243 Cb 0.23 0.94 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 3gkf h ILE 243 CO -0.14 0.01 0.42 -0.78 -0.69 0.00 0.00 178.15 176.97 3gkf h ASP 244 N 0.04 0.09 -0.60 1.72 3.58 -0.35 0.23 116.42 121.13 3gkf h ASP 244 Ca 0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.48 3gkf h ASP 244 Cb 0.02 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.06 3gkf h ASP 244 CO -0.03 0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 3gkf n GLN 245 N -4.40 3.52 0.00 0.28 6.02 0.18 -4.93 117.38 118.07 3gkf n GLN 245 Ca 0.11 -2.63 0.00 0.00 -0.01 0.00 0.00 57.00 54.47 3gkf n GLN 245 Cb 0.61 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 30.02 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 1.08 0.74 3.74 1.08 0.00 0.07 -4.61 105.19 107.29 3gkf n GLY 246 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 2.28 -1.40 4.61 0.00 -0.53 -4.85 121.76 119.88 3gkf s ALA 247 Ca 0.00 0.87 0.20 0.00 0.00 0.00 0.00 51.96 53.03 3gkf s ALA 247 Cb 0.00 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.57 3gkf s ALA 247 CO 0.00 -1.61 0.91 0.43 0.00 0.00 0.00 175.76 175.49 3gkf n SER 248 N -2.38 1.42 -3.63 0.00 7.64 0.21 -4.64 113.62 112.24 3gkf n SER 248 Ca 0.13 -1.21 -0.02 0.00 1.01 0.00 0.00 58.87 58.78 3gkf n SER 248 Cb 0.50 0.73 -0.01 0.00 -1.01 0.00 0.00 64.21 64.42 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 -2.53 -0.35 0.01 0.23 0.00 -1.08 -1.29 107.32 102.31 3gkf s GLY 249 Ca 0.12 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.65 3gkf s GLY 249 CO 0.64 0.20 -0.11 -1.34 0.00 0.00 0.00 173.10 172.50 3gkf s VAL 250 N -2.71 0.83 -0.26 1.40 -7.23 -1.01 -1.99 120.40 109.42 3gkf s VAL 250 Ca 0.12 -0.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.66 3gkf s VAL 250 Cb 0.01 -0.74 0.06 0.00 0.56 0.00 0.00 36.38 36.28 3gkf s VAL 250 CO -0.03 0.09 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.13 3gkf s ASP 251 N -0.64 4.41 -0.46 4.85 2.15 0.28 -1.65 116.67 125.60 3gkf s ASP 251 Ca 0.02 -1.43 -0.18 0.00 0.43 0.00 0.00 52.55 51.38 3gkf s ASP 251 Cb -0.06 -1.51 0.04 0.00 -0.30 0.00 0.00 42.92 41.09 3gkf s ASP 251 CO 0.00 -0.21 0.52 -0.04 -0.17 0.00 0.00 175.17 175.27 3gkf s MET 252 N 1.12 3.11 0.00 4.34 -1.94 -1.25 0.01 119.30 124.68 3gkf s MET 252 Ca -0.07 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.08 3gkf s MET 252 Cb -0.20 -4.03 0.00 0.00 2.01 0.00 0.00 34.83 32.61 3gkf s MET 252 CO -0.05 -1.02 0.00 0.41 -0.01 0.00 0.00 175.02 174.35 3gkf n GLY 253 N 5.13 1.20 0.35 -0.03 0.00 -1.26 -3.98 105.19 106.60 3gkf n GLY 253 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 0.85 0.00 1.61 -0.00 -1.89 0.43 114.38 115.38 3gkf h ARG 254 Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.43 3gkf h ARG 254 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 29.97 29.78 3gkf h ARG 254 CO 0.00 0.56 0.00 0.09 0.00 0.00 0.00 179.97 180.62 3gkf n ASN 255 N -4.70 0.00 0.01 7.04 3.02 -1.26 -1.40 115.26 117.98 3gkf n ASN 255 Ca 0.19 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.92 3gkf n ASN 255 Cb 0.41 -0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.23 0.87 0.31 2.41 5.41 0.14 -4.42 119.36 122.85 3gkf n ILE 256 Ca 0.01 0.27 0.19 0.00 1.00 0.00 0.00 62.75 64.23 3gkf n ILE 256 Cb 0.02 -1.53 0.97 0.00 -0.71 0.00 0.00 39.64 38.39 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 -0.14 0.00 0.00 1.39 -5.15 -1.39 -1.41 116.94 110.25 3gkf h PHE 257 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3gkf h PHE 257 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.31 3gkf h PHE 257 CO -0.06 0.02 -1.19 1.04 -2.00 0.00 0.00 178.31 176.13 3gkf n GLN 258 N -3.23 0.61 -1.73 6.09 6.02 -0.49 -4.90 117.38 119.75 3gkf n GLN 258 Ca -0.02 0.06 -0.38 0.00 -0.01 0.00 0.00 57.00 56.66 3gkf n GLN 258 Cb 0.16 -1.77 0.05 0.00 1.02 0.00 0.00 30.24 29.71 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 -2.60 2.33 0.25 1.08 2.88 -0.53 -4.88 113.62 112.16 3gkf n SER 259 Ca -0.01 0.91 0.13 0.00 -1.33 0.00 0.00 58.87 58.56 3gkf n SER 259 Cb 0.55 -1.56 0.64 0.00 -0.75 0.00 0.00 64.21 63.09 3gkf n SER 259 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3gkf h ASP 260 N 1.00 0.00 -2.14 -3.46 3.32 -1.92 -3.31 116.42 109.91 3gkf h ASP 260 Ca -0.51 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.95 3gkf h ASP 260 Cb 1.32 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.46 3gkf h ASP 260 CO 0.55 0.15 -0.72 1.41 -1.72 0.00 0.00 179.24 178.90 3gkf n HIS 261 N -3.45 2.65 0.24 4.55 8.25 -1.26 -4.99 115.22 121.21 3gkf n HIS 261 Ca -0.01 -4.01 -0.16 0.00 -0.26 0.00 0.00 57.72 53.28 3gkf n HIS 261 Cb 0.32 -0.51 -0.08 0.00 1.12 0.00 0.00 29.99 30.84 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 4.11 -0.79 -0.95 -0.41 0.11 -1.78 -2.07 132.00 130.22 3gkf h PRO 262 Ca 0.17 0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.39 3gkf h PRO 262 Cb 0.71 0.18 -0.06 0.00 0.11 0.00 0.00 31.00 31.94 3gkf h PRO 262 CO 0.74 -0.53 0.62 0.28 -0.21 0.00 0.00 178.00 178.90 3gkf h VAL 263 N -0.82 1.08 -0.52 3.15 2.07 -1.94 0.95 116.25 120.22 3gkf h VAL 263 Ca -0.03 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.12 3gkf h VAL 263 Cb 0.74 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3gkf h VAL 263 CO -0.08 0.20 0.34 0.00 0.02 0.00 0.00 177.57 178.05 3gkf h ALA 264 N 1.48 0.65 -0.23 1.67 0.00 -1.78 -2.48 119.26 118.57 3gkf h ALA 264 Ca 0.41 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.32 3gkf h ALA 264 Cb 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3gkf h ALA 264 CO -0.15 0.10 0.02 1.98 0.00 0.00 0.00 179.25 181.19 3gkf h MET 265 N 0.70 0.10 -0.71 0.00 -1.53 -0.16 -1.43 114.93 111.90 3gkf h MET 265 Ca 0.19 -0.01 0.05 0.00 -3.44 0.00 0.00 59.70 56.49 3gkf h MET 265 Cb -0.08 -0.02 -0.05 0.00 -0.55 0.00 0.00 31.60 30.90 3gkf h MET 265 CO -0.04 0.07 0.43 0.52 0.14 0.00 0.00 176.91 178.02 3gkf h MET 266 N 0.10 0.78 -0.08 0.39 2.86 -0.94 0.25 114.93 118.28 3gkf h MET 266 Ca 0.11 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 3gkf h MET 266 Cb 0.12 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 3gkf h MET 266 CO -0.16 0.52 -0.19 0.87 1.06 0.00 0.00 176.91 179.00 3gkf h LYS 267 N 0.80 0.14 0.10 1.72 1.57 -1.04 0.76 116.57 120.62 3gkf h LYS 267 Ca 0.31 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3gkf h LYS 267 Cb 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3gkf h LYS 267 CO -0.15 0.33 -0.05 0.00 -0.57 0.00 0.00 179.45 179.01 3gkf h ALA 268 N 1.68 -0.13 -0.51 3.86 0.00 0.40 -2.06 119.26 122.50 3gkf h ALA 268 Ca 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3gkf h ALA 268 Cb 0.42 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3gkf h ALA 268 CO 0.03 -0.54 0.18 0.28 0.00 0.00 0.00 179.25 179.19 3gkf h VAL 269 N -0.19 1.22 -0.79 0.00 2.07 0.71 -1.96 116.25 117.30 3gkf h VAL 269 Ca -0.01 -0.73 0.13 0.00 0.82 0.00 0.00 66.70 66.91 3gkf h VAL 269 Cb 0.16 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.59 3gkf h VAL 269 CO 0.02 0.27 0.39 1.56 0.02 0.00 0.00 177.57 179.83 3gkf h GLN 270 N 0.68 0.57 -0.01 1.57 4.20 0.54 -0.30 115.11 122.37 3gkf h GLN 270 Ca 0.17 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3gkf h GLN 270 Cb 0.24 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 3gkf h GLN 270 CO -0.01 0.38 0.00 0.00 -0.67 0.00 0.00 178.83 178.53 3gkf h ALA 271 N 1.52 0.01 -0.13 3.87 0.00 -0.66 0.36 119.26 124.22 3gkf h ALA 271 Ca 0.42 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3gkf h ALA 271 Cb 0.56 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3gkf h ALA 271 CO -0.34 -0.38 0.06 0.28 0.00 0.00 0.00 179.25 178.87 3gkf h VAL 272 N -0.22 0.99 0.44 0.00 2.07 -0.95 0.73 116.25 119.32 3gkf h VAL 272 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3gkf h VAL 272 Cb 0.23 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3gkf h VAL 272 CO 0.00 0.02 -0.21 0.58 0.02 0.00 0.00 177.57 177.98 3gkf h VAL 273 N 0.14 0.00 0.21 2.57 2.07 -0.89 -3.00 116.25 117.34 3gkf h VAL 273 Ca 0.05 -0.29 -0.33 0.00 0.82 0.00 0.00 66.70 66.95 3gkf h VAL 273 Cb 0.01 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 29.81 3gkf h VAL 273 CO -0.04 0.00 -1.56 0.45 0.02 0.00 0.00 177.57 176.44 3gkf h HIS 274 N -0.88 0.81 -0.01 1.57 -0.00 -1.04 -3.38 115.15 112.21 3gkf h HIS 274 Ca -0.06 -0.59 0.00 0.00 -0.00 0.00 0.00 60.37 59.72 3gkf h HIS 274 Cb 0.45 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 3gkf h HIS 274 CO 0.04 1.56 -0.48 0.72 -0.00 0.00 0.00 177.93 179.77 3gkf n HIS 275 N -3.63 0.00 -0.90 2.45 8.25 -0.68 -4.97 115.22 115.74 3gkf n HIS 275 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 3gkf n HIS 275 Cb 1.08 0.00 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 -0.25 -0.63 -4.54 0.41 3.02 0.16 -4.96 115.26 108.48 3gkf n ASN 276 Ca 0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.23 3gkf n ASN 276 Cb 0.40 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.49 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 -2.21 0.88 -1.87 3.52 -0.58 -0.87 -4.91 120.64 114.60 3gkf n GLU 277 Ca 0.00 0.33 -0.32 0.00 -0.42 0.00 0.00 57.16 56.74 3gkf n GLU 277 Cb 0.00 -1.86 0.03 0.00 -0.57 0.00 0.00 31.44 29.03 3gkf n GLU 277 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 3gkf s THR 278 N -1.47 3.69 0.20 2.62 -1.32 -1.26 -4.41 115.64 113.69 3gkf s THR 278 Ca 0.67 0.75 -0.14 0.00 -1.21 0.00 0.00 61.69 61.76 3gkf s THR 278 Cb -0.51 -3.30 0.21 0.00 -1.51 0.00 0.00 72.50 67.39 3gkf s THR 278 CO 0.55 -0.53 1.64 0.00 -2.21 0.00 0.00 174.62 174.06 3gkf h ALA 279 N 0.09 0.40 0.40 11.08 0.00 -1.91 -0.69 119.26 128.63 3gkf h ALA 279 Ca -0.46 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3gkf h ALA 279 Cb 1.22 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3gkf h ALA 279 CO 0.56 -0.43 -0.27 -0.44 0.00 0.00 0.00 179.25 178.67 3gkf h ASP 280 N 0.01 -0.69 -0.48 0.00 5.19 -1.96 0.33 116.42 118.81 3gkf h ASP 280 Ca 0.29 0.05 0.08 0.00 -0.62 0.00 0.00 57.03 56.82 3gkf h ASP 280 Cb 0.44 0.21 -0.06 0.00 0.18 0.00 0.00 39.33 40.10 3gkf h ASP 280 CO -0.60 -0.42 0.11 0.03 -3.12 0.00 0.00 179.24 175.24 3gkf h ARG 281 N -0.65 0.24 -0.07 3.56 3.08 -1.87 0.06 114.38 118.73 3gkf h ARG 281 Ca -0.04 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3gkf h ARG 281 Cb 0.55 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 3gkf h ARG 281 CO 0.02 0.16 -0.41 0.00 -1.07 0.00 0.00 179.97 178.67 3gkf h ALA 282 N 1.36 -0.62 -0.80 0.04 0.00 -0.38 0.03 119.26 118.89 3gkf h ALA 282 Ca 0.24 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.28 3gkf h ALA 282 Cb 0.30 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.75 3gkf h ALA 282 CO -0.30 -0.93 0.34 -0.92 0.00 0.00 0.00 179.25 177.44 3gkf h TYR 283 N -0.53 0.59 -0.17 0.00 -0.00 0.46 -0.39 116.97 116.94 3gkf h TYR 283 Ca 0.06 0.04 0.01 0.00 -0.00 0.00 0.00 58.73 58.84 3gkf h TYR 283 Cb 0.63 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.73 37.22 3gkf h TYR 283 CO -0.45 0.07 0.09 0.93 -0.00 0.00 0.00 178.16 178.80 3gkf h GLU 284 N 0.47 0.19 0.00 1.82 5.08 0.84 0.62 114.58 123.60 3gkf h GLU 284 Ca 0.45 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 3gkf h GLU 284 Cb 0.71 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3gkf h GLU 284 CO -0.42 0.12 -0.01 1.37 -1.00 0.00 0.00 179.01 179.08 3gkf h LEU 285 N 0.19 0.00 0.37 1.33 -0.00 -0.74 0.65 115.31 117.12 3gkf h LEU 285 Ca 0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.94 3gkf h LEU 285 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.64 3gkf h LEU 285 CO -0.04 0.01 -0.40 0.22 -0.00 0.00 0.00 178.44 178.23 3gkf h TYR 286 N 0.00 -1.10 -0.72 0.17 3.20 0.19 0.26 116.97 118.97 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 0.36 0.43 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3gkf h TYR 286 CO 0.00 -0.55 0.28 -0.07 -1.64 0.00 0.00 178.16 176.17 3gkf h LEU 287 N -0.81 1.01 -0.64 2.82 3.38 -0.07 -2.48 115.31 118.51 3gkf h LEU 287 Ca -0.03 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.89 3gkf h LEU 287 Cb 0.73 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 3gkf h LEU 287 CO -0.08 0.91 -0.16 -1.28 0.09 0.00 0.00 178.44 177.93 3gkf h SER 288 N 1.04 -0.59 0.89 -0.43 0.87 0.67 -2.59 113.55 113.42 3gkf h SER 288 Ca 0.24 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3gkf h SER 288 Cb 0.23 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3gkf h SER 288 CO -0.02 -0.21 0.00 -0.62 -0.53 0.00 0.00 176.83 175.45 3gkf n GLU 289 N -5.43 0.04 0.00 2.24 -0.58 0.88 -5.05 120.64 112.74 3gkf n GLU 289 Ca 0.08 0.03 0.03 0.00 -0.42 0.00 0.00 57.16 56.88 3gkf n GLU 289 Cb 0.33 -1.50 0.16 0.00 -0.57 0.00 0.00 31.44 29.86 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28