#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 2.99 -0.27 1.61 1.02 -1.26 -5.11 119.74 118.72 3gkf s LYS 11 Ca 0.00 -0.40 -0.00 0.00 0.02 0.00 0.00 55.97 55.58 3gkf s LYS 11 Cb 0.00 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.55 3gkf s LYS 11 CO 0.00 0.70 -0.06 0.34 -0.92 0.00 0.00 175.35 175.41 3gkf s ASP 12 N -0.88 4.48 0.00 2.83 2.15 -1.26 -4.94 116.67 119.04 3gkf s ASP 12 Ca 0.13 -1.14 0.25 0.00 0.43 0.00 0.00 52.55 52.23 3gkf s ASP 12 Cb -0.11 -1.64 0.67 0.00 -0.30 0.00 0.00 42.92 41.54 3gkf s ASP 12 CO 0.02 -0.18 1.53 0.49 -0.17 0.00 0.00 175.17 176.86 3gkf n PHE 13 N 4.59 0.09 -3.84 -5.34 3.72 -1.26 -4.96 117.46 110.46 3gkf n PHE 13 Ca -0.15 -0.04 -0.30 0.00 -0.05 0.00 0.00 57.45 56.91 3gkf n PHE 13 Cb 0.45 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.00 3gkf n PHE 13 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 3gkf n ARG 14 N 0.70 -2.16 0.28 -1.08 3.00 -1.26 -4.81 116.66 111.33 3gkf n ARG 14 Ca 0.17 0.40 0.15 0.00 -0.00 0.00 0.00 57.85 58.57 3gkf n ARG 14 Cb 0.45 -4.20 0.80 0.00 0.00 0.00 0.00 32.46 29.52 3gkf n ARG 14 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 3gkf h THR 15 N -1.93 0.44 0.00 5.15 1.35 -2.01 -2.15 112.91 113.75 3gkf h THR 15 Ca -0.65 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 64.79 3gkf h THR 15 Cb 1.37 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3gkf h THR 15 CO 0.55 0.08 0.00 -0.90 -0.25 0.00 0.00 175.52 175.00 3gkf n ASP 16 N -3.54 0.75 -4.05 5.36 5.75 -1.26 -4.56 116.55 115.00 3gkf n ASP 16 Ca -0.02 0.63 -0.32 0.00 -0.01 0.00 0.00 54.79 55.07 3gkf n ASP 16 Cb 0.21 -0.81 -0.15 0.00 -1.03 0.00 0.00 41.12 39.34 3gkf n ASP 16 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3gkf s GLN 17 N -3.22 2.21 -0.01 0.11 0.74 -0.81 -5.11 119.66 113.57 3gkf s GLN 17 Ca 0.07 -1.17 -0.18 0.00 0.05 0.00 0.00 55.36 54.13 3gkf s GLN 17 Cb 0.11 -2.75 -0.05 0.00 1.10 0.00 0.00 33.01 31.42 3gkf s GLN 17 CO 0.49 -0.51 0.52 -1.25 -0.55 0.00 0.00 175.29 173.99 3gkf s PRO 18 N 1.20 4.21 0.26 1.67 0.04 -1.26 -4.92 135.00 136.21 3gkf s PRO 18 Ca -0.06 0.60 -0.31 0.00 0.04 0.00 0.00 61.00 61.27 3gkf s PRO 18 Cb -0.19 -3.32 -0.13 0.00 0.04 0.00 0.00 34.50 30.91 3gkf s PRO 18 CO -0.07 0.44 1.42 0.94 0.04 0.00 0.00 177.00 179.78 3gkf n GLN 19 N 2.55 2.15 -4.30 4.56 7.27 -1.26 -5.00 117.38 123.34 3gkf n GLN 19 Ca -0.09 0.76 -0.19 0.00 0.07 0.00 0.00 57.00 57.56 3gkf n GLN 19 Cb 0.51 -2.43 -0.13 0.00 2.41 0.00 0.00 30.24 30.60 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 -0.63 0.82 -0.10 3.69 2.20 -1.26 -5.13 119.74 119.32 3gkf s LYS 20 Ca 0.66 -0.65 -0.25 0.00 -0.36 0.00 0.00 55.97 55.36 3gkf s LYS 20 Cb -0.61 -0.78 -0.02 0.00 -1.51 0.00 0.00 37.83 34.90 3gkf s LYS 20 CO 0.51 0.19 0.81 -0.80 -0.36 0.00 0.00 175.35 175.71 3gkf s ASN 21 N -0.99 7.04 -0.16 1.43 0.01 -1.26 -5.02 114.94 115.98 3gkf s ASN 21 Ca 0.00 1.26 -0.29 0.00 -0.71 0.00 0.00 52.86 53.12 3gkf s ASN 21 Cb -0.07 -2.46 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 3gkf s ASN 21 CO 0.01 -0.28 1.22 -0.63 -1.51 0.00 0.00 177.10 175.91 3gkf s ILE 22 N 1.48 4.34 0.67 0.60 1.09 -1.26 -5.00 121.20 123.12 3gkf s ILE 22 Ca 0.40 1.63 -0.17 0.00 -1.10 0.00 0.00 60.65 61.41 3gkf s ILE 22 Cb -0.18 -4.05 0.01 0.00 -1.06 0.00 0.00 42.46 37.18 3gkf s ILE 22 CO 0.17 -0.13 1.24 -2.84 -0.10 0.00 0.00 174.94 173.28 3gkf s PRO 23 N 3.31 2.46 -0.30 2.79 0.02 -1.26 -5.01 135.00 137.01 3gkf s PRO 23 Ca 0.53 1.89 -0.04 0.00 0.02 0.00 0.00 61.00 63.40 3gkf s PRO 23 Cb -0.21 -1.86 0.03 0.00 0.02 0.00 0.00 34.50 32.48 3gkf s PRO 23 CO 0.14 -1.62 0.04 0.12 -0.33 0.00 0.00 177.00 175.35 3gkf s PHE 24 N -1.68 3.19 -0.84 6.54 5.36 -1.26 -4.99 117.98 124.30 3gkf s PHE 24 Ca 0.78 -1.45 0.23 0.00 -0.96 0.00 0.00 56.93 55.53 3gkf s PHE 24 Cb -0.33 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.20 3gkf s PHE 24 CO 0.41 -0.71 1.05 0.25 -1.46 0.00 0.00 175.22 174.75 3gkf n THR 25 N 4.75 0.05 -1.61 0.12 -2.24 -1.26 -4.54 114.28 109.55 3gkf n THR 25 Ca -0.14 -0.10 -0.48 0.00 -2.27 0.00 0.00 64.05 61.07 3gkf n THR 25 Cb 0.46 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.67 1.99 -4.64 3.22 7.94 -1.26 -4.73 117.00 117.85 3gkf n LEU 26 Ca 0.03 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.65 3gkf n LEU 26 Cb 0.37 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 3gkf n LEU 26 CO 0.40 -1.06 1.68 1.17 -1.11 0.00 0.00 177.39 178.48 3gkf n LYS 27 N 1.85 2.51 -1.02 1.96 4.81 -1.26 -2.03 118.16 124.99 3gkf n LYS 27 Ca 0.14 0.86 -0.01 0.00 -0.87 0.00 0.00 58.31 58.43 3gkf n LYS 27 Cb 0.27 -3.05 -0.00 0.00 0.02 0.00 0.00 35.03 32.26 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 4.96 0.45 0.76 3.14 0.00 -1.23 -3.73 105.19 109.53 3gkf n GLY 28 Ca 0.24 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.11 -1.17 2.11 0.00 0.00 -1.26 -3.96 105.19 99.80 3gkf n GLY 30 Ca 0.24 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.22 4.76 -2.54 4.61 0.00 -1.26 -4.95 120.51 119.91 3gkf n ALA 31 Ca 0.11 -3.69 -0.28 0.00 0.00 0.00 0.00 53.44 49.59 3gkf n ALA 31 Cb 0.30 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.27 3gkf n ALA 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gkf s LEU 32 N -3.62 2.88 0.81 0.00 1.43 -1.25 -5.11 118.68 113.81 3gkf s LEU 32 Ca 0.48 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.89 3gkf s LEU 32 Cb 0.40 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 45.09 3gkf s LEU 32 CO 0.03 0.13 1.16 -0.62 0.23 0.00 0.00 176.35 177.28 3gkf s ASP 33 N -2.59 3.78 0.20 2.29 2.15 -1.26 -4.68 116.67 116.56 3gkf s ASP 33 Ca 0.23 2.18 -0.14 0.00 0.43 0.00 0.00 52.55 55.25 3gkf s ASP 33 Cb -0.09 -2.57 0.22 0.00 -0.30 0.00 0.00 42.92 40.18 3gkf s ASP 33 CO 0.13 -2.53 1.64 -0.25 -0.17 0.00 0.00 175.17 174.00 3gkf h TRP 34 N -1.06 -0.25 -0.65 -5.34 7.01 -1.99 -0.35 115.95 113.33 3gkf h TRP 34 Ca -0.45 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.59 3gkf h TRP 34 Cb 1.27 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 28.50 3gkf h TRP 34 CO 0.51 -0.23 0.38 0.78 -2.79 0.00 0.00 178.44 177.09 3gkf h GLY 35 N 0.02 0.95 1.07 2.65 0.00 -1.92 0.52 103.07 106.35 3gkf h GLY 35 Ca 0.28 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 3gkf h GLY 35 CO -0.57 0.39 -0.31 1.98 0.00 0.00 0.00 176.54 178.03 3gkf h MET 36 N 0.88 0.86 -0.36 4.80 1.85 -1.41 -0.57 114.93 120.98 3gkf h MET 36 Ca 0.23 -0.43 -0.04 0.00 -0.61 0.00 0.00 59.70 58.85 3gkf h MET 36 Cb -0.01 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.01 3gkf h MET 36 CO -0.04 1.08 0.05 1.96 -0.40 0.00 0.00 176.91 179.56 3gkf h GLN 37 N 0.67 0.54 -0.14 0.39 4.20 -0.41 -1.76 115.11 118.60 3gkf h GLN 37 Ca 0.07 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3gkf h GLN 37 Cb 0.89 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 3gkf h GLN 37 CO 0.08 0.53 0.06 1.03 -0.67 0.00 0.00 178.83 179.86 3gkf h SER 38 N 0.53 0.19 -0.41 1.46 0.87 0.60 -0.23 113.55 116.56 3gkf h SER 38 Ca 0.12 -0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3gkf h SER 38 Cb 0.26 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3gkf h SER 38 CO 0.00 0.29 0.27 0.03 -0.53 0.00 0.00 176.83 176.89 3gkf h ARG 39 N 0.08 0.53 -0.66 2.24 3.08 -0.69 -1.82 114.38 117.14 3gkf h ARG 39 Ca 0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3gkf h ARG 39 Cb 0.15 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 3gkf h ARG 39 CO -0.00 0.35 0.41 -0.07 -1.07 0.00 0.00 179.97 179.59 3gkf h LEU 40 N 0.55 0.77 -1.47 3.04 3.38 -1.21 -1.60 115.31 118.76 3gkf h LEU 40 Ca 0.15 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 3gkf h LEU 40 Cb -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3gkf h LEU 40 CO -0.04 0.57 -0.24 0.28 0.09 0.00 0.00 178.44 179.10 3gkf h SER 41 N 0.90 0.00 -0.41 -0.43 0.02 -0.40 0.13 113.55 113.37 3gkf h SER 41 Ca 0.24 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.10 3gkf h SER 41 Cb -0.07 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 3gkf h SER 41 CO -0.05 0.24 -0.08 0.03 -1.14 0.00 0.00 176.83 175.84 3gkf h ARG 42 N 0.00 0.85 0.01 3.45 3.08 -0.49 -3.34 114.38 117.93 3gkf h ARG 42 Ca -0.00 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 3gkf h ARG 42 Cb 0.56 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3gkf h ARG 42 CO 0.03 0.89 -0.00 0.82 -1.07 0.00 0.00 179.97 180.64 3gkf h ILE 43 N 0.77 1.27 -3.71 2.04 2.04 -1.11 -3.45 117.51 115.36 3gkf h ILE 43 Ca 0.13 -1.92 -0.63 0.00 1.00 0.00 0.00 64.86 63.45 3gkf h ILE 43 Cb 0.57 2.38 -0.15 0.00 -0.74 0.00 0.00 36.82 38.88 3gkf h ILE 43 CO 0.03 0.42 -0.39 -0.36 0.00 0.00 0.00 178.15 177.86 3gkf s PHE 44 N -2.11 3.27 0.08 1.37 0.08 0.40 -4.48 117.98 116.60 3gkf s PHE 44 Ca -0.14 0.30 -0.33 0.00 0.12 0.00 0.00 56.93 56.89 3gkf s PHE 44 Cb -0.02 -2.43 -0.12 0.00 -0.57 0.00 0.00 43.02 39.89 3gkf s PHE 44 CO 0.49 -0.10 1.79 -1.71 -0.10 0.00 0.00 175.22 175.59 3gkf n ASN 45 N 4.86 3.68 -0.32 1.36 2.85 -0.11 -4.47 115.26 123.12 3gkf n ASN 45 Ca -0.12 1.01 -0.03 0.00 -0.11 0.00 0.00 54.58 55.33 3gkf n ASN 45 Cb 0.51 -1.48 0.09 0.00 1.24 0.00 0.00 39.78 40.15 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 8.09 1.12 0.37 1.20 0.11 -1.90 2.40 132.00 143.39 3gkf h PRO 46 Ca -0.47 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 3gkf h PRO 46 Cb 1.24 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3gkf h PRO 46 CO 0.93 0.74 -0.21 0.87 -0.21 0.00 0.00 178.00 180.13 3gkf h LYS 47 N 1.16 -0.52 0.00 1.05 1.79 -1.98 -3.31 116.57 114.75 3gkf h LYS 47 Ca 0.32 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.82 3gkf h LYS 47 Cb -0.12 0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3gkf h LYS 47 CO -0.07 -0.35 -1.30 0.25 -1.08 0.00 0.00 179.45 176.90 3gkf n THR 48 N -5.33 0.04 -2.07 -0.16 -2.24 -1.10 -4.98 114.28 98.43 3gkf n THR 48 Ca -0.10 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 3gkf n THR 48 Cb 0.24 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 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 1.39 0.15 3.24 3.38 0.00 0.81 -4.97 105.19 109.18 3gkf n GLY 49 Ca 0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.33 1.11 -0.00 1.61 1.02 -1.21 -4.79 119.74 113.15 3gkf s LYS 50 Ca 0.00 -1.44 -0.06 0.00 0.02 0.00 0.00 55.97 54.49 3gkf s LYS 50 Cb 0.00 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.60 3gkf s LYS 50 CO 0.00 -0.36 0.12 -0.08 -0.92 0.00 0.00 175.35 174.11 3gkf s THR 51 N -4.07 0.07 -0.28 2.17 -1.32 -0.42 -0.93 115.64 110.86 3gkf s THR 51 Ca 0.28 -0.61 -0.05 0.00 -1.21 0.00 0.00 61.69 60.09 3gkf s THR 51 Cb 0.06 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.68 3gkf s THR 51 CO 0.06 -0.34 0.04 -0.69 -2.21 0.00 0.00 174.62 171.48 3gkf s VAL 52 N -1.18 3.66 -0.16 5.08 1.01 -1.26 -2.39 120.40 125.15 3gkf s VAL 52 Ca -0.13 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 3gkf s VAL 52 Cb -0.07 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 3gkf s VAL 52 CO 0.01 0.10 -0.03 -0.32 0.00 0.00 0.00 175.10 174.86 3gkf s MET 53 N 1.45 3.64 -0.50 2.72 0.00 -0.81 -0.36 119.30 125.43 3gkf s MET 53 Ca 0.02 -0.53 -0.13 0.00 0.00 0.00 0.00 55.69 55.04 3gkf s MET 53 Cb -0.17 -2.93 0.12 0.00 0.00 0.00 0.00 34.83 31.84 3gkf s MET 53 CO 0.01 0.18 0.42 -1.17 0.00 0.00 0.00 175.02 174.46 3gkf s LEU 54 N 0.52 5.90 -0.23 4.11 2.96 -0.02 -3.95 118.68 127.96 3gkf s LEU 54 Ca -0.03 -1.75 -0.10 0.00 -0.22 0.00 0.00 54.13 52.03 3gkf s LEU 54 Cb -0.14 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.37 3gkf s LEU 54 CO 0.03 -0.76 0.14 0.00 -1.32 0.00 0.00 176.35 174.44 3gkf s ALA 55 N 1.52 3.54 -0.37 5.97 0.00 -1.26 -1.58 121.76 129.58 3gkf s ALA 55 Ca 0.04 -0.90 0.13 0.00 0.00 0.00 0.00 51.96 51.23 3gkf s ALA 55 Cb -0.28 -2.26 0.44 0.00 0.00 0.00 0.00 23.12 21.03 3gkf s ALA 55 CO 0.02 -0.18 1.01 1.97 0.00 0.00 0.00 175.76 178.58 3gkf n PHE 56 N 4.27 2.02 1.10 0.00 1.16 0.13 -4.70 117.46 121.44 3gkf n PHE 56 Ca -0.15 -2.92 0.12 0.00 -1.87 0.00 0.00 57.45 52.63 3gkf n PHE 56 Cb 0.52 -0.27 0.19 0.00 -1.61 0.00 0.00 39.48 38.31 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 -0.22 2.68 0.30 5.98 5.75 -1.22 -4.51 116.55 125.31 3gkf n ASP 57 Ca 0.21 -1.89 0.16 0.00 -0.01 0.00 0.00 54.79 53.25 3gkf n ASP 57 Cb 0.76 -0.00 0.94 0.00 -1.03 0.00 0.00 41.12 41.79 3gkf n ASP 57 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3gkf h HIS 58 N 4.21 0.00 -0.21 2.11 -0.00 -1.92 0.59 115.15 119.93 3gkf h HIS 58 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 3gkf h HIS 58 Cb 0.89 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.30 3gkf h HIS 58 CO 0.00 0.02 0.48 0.78 -0.00 0.00 0.00 177.93 179.21 3gkf h GLY 59 N 0.14 0.00 1.39 2.45 0.00 -1.79 -1.56 103.07 103.70 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 0.37 0.10 0.00 0.00 0.00 176.54 177.01 3gkf h TYR 60 N 0.00 0.78 0.00 5.60 -0.00 -1.16 -1.56 116.97 120.63 3gkf h TYR 60 Ca 0.10 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.83 3gkf h TYR 60 Cb 1.07 -0.26 0.00 0.00 0.00 0.00 0.00 36.73 37.54 3gkf h TYR 60 CO 0.00 0.52 0.00 1.97 -0.00 0.00 0.00 178.16 180.65 3gkf n PHE 61 N -4.42 0.00 0.27 0.10 1.16 -1.04 -4.71 117.46 108.81 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 0.07 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 37.90 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 -0.12 4.25 0.00 3.97 6.02 -0.61 -1.63 117.38 129.26 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 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.45 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 -0.00 3.29 1.08 0.00 -0.61 -4.23 105.19 106.01 3gkf n GLY 63 Ca 0.01 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 2.61 -1.12 1.61 -0.02 -1.26 -3.98 135.00 132.85 3gkf n PRO 64 Ca 0.00 -2.78 -0.34 0.00 -2.02 0.00 0.00 63.50 58.37 3gkf n PRO 64 Cb 0.00 -3.41 0.12 0.00 -0.02 0.00 0.00 33.50 30.18 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 6.25 1.87 -1.69 3.45 -1.04 -1.26 -4.64 114.28 117.21 3gkf n THR 65 Ca 0.49 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.05 61.82 3gkf n THR 65 Cb 0.44 -1.07 -0.03 0.00 -1.82 0.00 0.00 70.33 67.84 3gkf n THR 65 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3gkf n THR 66 N -3.14 0.14 0.00 12.58 -1.04 -1.26 -0.89 114.28 120.66 3gkf n THR 66 Ca 0.12 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3gkf n THR 66 Cb 0.51 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 67.13 3gkf n THR 66 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gkf n GLY 67 N 3.91 2.22 0.85 3.41 0.00 -1.26 -4.77 105.19 109.55 3gkf n GLY 67 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 3gkf n GLY 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gkf n LEU 68 N 0.00 3.46 -0.05 0.99 4.77 -0.07 -4.65 117.00 121.45 3gkf n LEU 68 Ca 0.00 -2.35 -0.07 0.00 -0.03 0.00 0.00 56.01 53.56 3gkf n LEU 68 Cb 0.00 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 3gkf n LEU 68 CO 0.00 0.73 0.77 -0.33 -1.33 0.00 0.00 177.39 177.24 3gkf h GLU 69 N 2.29 -0.10 -3.09 3.23 3.07 -1.77 -3.34 114.58 114.87 3gkf h GLU 69 Ca 0.00 0.01 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 3gkf h GLU 69 Cb 1.03 0.02 -0.40 0.00 -0.84 0.00 0.00 28.75 28.57 3gkf h GLU 69 CO 0.09 -0.07 -0.73 1.03 -1.40 0.00 0.00 179.01 177.94 3gkf s ARG 70 N -6.17 1.29 0.28 2.33 1.81 -1.26 -4.94 118.95 112.28 3gkf s ARG 70 Ca -0.14 -1.97 0.00 0.00 -1.72 0.00 0.00 55.73 51.90 3gkf s ARG 70 Cb 0.12 -2.39 0.51 0.00 -0.45 0.00 0.00 34.95 32.74 3gkf s ARG 70 CO 0.69 -1.14 1.84 0.82 -0.68 0.00 0.00 175.30 176.83 3gkf h ILE 71 N 5.39 0.95 0.00 1.52 1.08 -1.89 -0.87 117.51 123.68 3gkf h ILE 71 Ca -0.03 -0.35 -0.02 0.00 -0.39 0.00 0.00 64.86 64.08 3gkf h ILE 71 Cb 0.93 -0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 34.53 3gkf h ILE 71 CO 0.49 0.18 -0.09 -2.24 -0.69 0.00 0.00 178.15 175.81 3gkf h ASP 72 N 1.01 0.00 0.00 1.72 2.03 -1.92 -1.37 116.42 117.88 3gkf h ASP 72 Ca 0.48 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.54 3gkf h ASP 72 Cb 0.43 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.89 3gkf h ASP 72 CO -0.25 0.09 -1.69 -0.38 -1.03 0.00 0.00 179.24 175.98 3gkf n ILE 73 N -4.07 1.24 0.08 4.15 5.41 -0.99 -4.21 119.36 120.96 3gkf n ILE 73 Ca -0.03 -0.13 -0.13 0.00 1.00 0.00 0.00 62.75 63.47 3gkf n ILE 73 Cb 0.18 -1.91 -0.08 0.00 -0.71 0.00 0.00 39.64 37.12 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 -0.75 -0.12 0.38 4.38 -1.24 -1.24 -3.37 115.58 113.61 3gkf h ASN 74 Ca -0.35 -0.09 -0.23 0.00 0.71 0.00 0.00 56.30 56.33 3gkf h ASN 74 Cb 1.23 0.03 -0.04 0.00 0.73 0.00 0.00 38.32 40.27 3gkf h ASN 74 CO -0.21 0.01 -1.82 -0.38 -1.29 0.00 0.00 177.43 173.74 3gkf n ILE 75 N -5.10 1.20 -0.25 2.57 2.08 -0.61 -4.36 119.36 114.88 3gkf n ILE 75 Ca -0.08 -0.74 0.06 0.00 0.56 0.00 0.00 62.75 62.55 3gkf n ILE 75 Cb 0.13 -0.64 0.19 0.00 -0.75 0.00 0.00 39.64 38.57 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 1.28 1.02 0.00 -1.39 0.00 -1.46 0.53 119.26 119.24 3gkf h ALA 76 Ca -0.28 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3gkf h ALA 76 Cb 1.80 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.77 3gkf h ALA 76 CO 0.04 -0.30 -0.02 -1.35 0.00 0.00 0.00 179.25 177.63 3gkf h PRO 77 N 0.33 0.00 0.00 0.00 0.10 -1.76 -3.05 132.00 127.62 3gkf h PRO 77 Ca 0.42 0.00 -0.00 0.00 0.10 0.00 0.00 66.00 66.52 3gkf h PRO 77 Cb 0.71 0.00 -0.00 0.00 0.10 0.00 0.00 31.00 31.81 3gkf h PRO 77 CO -0.48 0.02 -0.03 -0.07 0.10 0.00 0.00 178.00 177.54 3gkf h LEU 78 N 0.00 0.00 -0.24 2.35 3.38 -0.16 -3.38 115.31 117.26 3gkf h LEU 78 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3gkf h LEU 78 Cb 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3gkf h LEU 78 CO 0.00 0.01 0.05 -0.26 0.09 0.00 0.00 178.44 178.33 3gkf h PHE 79 N 0.00 0.08 0.00 1.13 0.04 -1.50 -2.49 116.94 114.20 3gkf h PHE 79 Ca -0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3gkf h PHE 79 Cb 1.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.16 3gkf h PHE 79 CO 0.00 0.02 0.05 1.05 -0.60 0.00 0.00 178.31 178.84 3gkf h GLU 80 N 0.14 0.00 -0.68 1.51 4.11 -1.82 -0.59 114.58 117.25 3gkf h GLU 80 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 3gkf h GLU 80 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3gkf h GLU 80 CO -0.15 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.65 3gkf n HIS 81 N -2.90 1.39 -4.24 2.06 8.25 -0.94 -4.90 115.22 113.94 3gkf n HIS 81 Ca -0.03 -0.59 -0.30 0.00 -0.26 0.00 0.00 57.72 56.54 3gkf n HIS 81 Cb 0.11 -0.19 -0.09 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 -1.66 3.09 0.00 -1.41 0.00 -0.23 -4.89 121.76 116.66 3gkf s ALA 82 Ca 0.51 -1.15 -0.20 0.00 0.00 0.00 0.00 51.96 51.12 3gkf s ALA 82 Cb 0.32 -1.05 -0.23 0.00 0.00 0.00 0.00 23.12 22.15 3gkf s ALA 82 CO 0.27 0.66 1.10 -0.44 0.00 0.00 0.00 175.76 177.34 3gkf h ASP 83 N 3.74 0.52 -4.44 0.00 3.32 -1.00 -3.47 116.42 115.08 3gkf h ASP 83 Ca -0.48 -0.76 -0.17 0.00 0.02 0.00 0.00 57.03 55.64 3gkf h ASP 83 Cb 1.17 -0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.32 3gkf h ASP 83 CO 0.55 1.22 -0.52 0.54 -1.72 0.00 0.00 179.24 179.31 3gkf s VAL 84 N -3.20 0.05 0.08 -1.35 0.11 -0.98 -4.18 120.40 110.93 3gkf s VAL 84 Ca -0.13 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.55 3gkf s VAL 84 Cb 0.03 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 3gkf s VAL 84 CO 0.82 -0.22 0.12 -0.76 -3.33 0.00 0.00 175.10 171.73 3gkf s LEU 85 N -0.73 3.94 -0.13 2.54 1.43 0.05 -0.84 118.68 124.95 3gkf s LEU 85 Ca -0.08 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 3gkf s LEU 85 Cb -0.05 -2.60 0.04 0.00 0.03 0.00 0.00 46.19 43.62 3gkf s LEU 85 CO 0.01 0.16 0.00 -0.32 0.23 0.00 0.00 176.35 176.43 3gkf s MET 86 N -2.48 0.78 0.35 1.70 -2.45 -0.62 -0.10 119.30 116.48 3gkf s MET 86 Ca 0.31 -0.16 -0.09 0.00 -1.25 0.00 0.00 55.69 54.49 3gkf s MET 86 Cb -0.12 -1.51 0.03 0.00 1.25 0.00 0.00 34.83 34.47 3gkf s MET 86 CO 0.24 -0.43 0.62 0.00 1.05 0.00 0.00 175.02 176.50 3gkf s THR 88 N -2.81 3.94 0.29 0.00 -4.23 -1.26 -1.62 115.64 109.95 3gkf s THR 88 Ca 0.23 0.56 0.13 0.00 -1.18 0.00 0.00 61.69 61.43 3gkf s THR 88 Cb -0.03 -3.61 0.05 0.00 1.34 0.00 0.00 72.50 70.25 3gkf s THR 88 CO 0.15 -0.79 1.72 0.08 -0.54 0.00 0.00 174.62 175.24 3gkf h ARG 89 N -0.48 0.00 0.26 3.99 0.11 -1.97 -0.94 114.38 115.34 3gkf h ARG 89 Ca -0.45 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.62 3gkf h ARG 89 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 3gkf h ARG 89 CO 0.63 0.48 -0.12 0.78 0.10 0.00 0.00 179.97 181.84 3gkf h GLY 90 N 1.61 -0.36 0.81 0.08 0.00 -1.96 -2.24 103.07 101.01 3gkf h GLY 90 Ca -0.00 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 3gkf h GLY 90 CO 0.06 -0.13 0.01 -2.22 0.00 0.00 0.00 176.54 174.26 3gkf h ILE 91 N -0.45 1.24 -0.31 2.60 1.08 -1.92 -2.64 117.51 117.11 3gkf h ILE 91 Ca -0.04 -0.79 0.07 0.00 -0.39 0.00 0.00 64.86 63.71 3gkf h ILE 91 Cb 0.34 1.44 -0.07 0.00 -3.07 0.00 0.00 36.82 35.46 3gkf h ILE 91 CO 0.06 0.24 -0.17 0.25 -0.69 0.00 0.00 178.15 177.83 3gkf h LEU 92 N 0.05 -0.58 -0.69 1.44 5.85 -1.16 0.11 115.31 120.33 3gkf h LEU 92 Ca 0.05 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3gkf h LEU 92 Cb 0.35 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3gkf h LEU 92 CO 0.01 -0.21 0.19 0.03 -0.34 0.00 0.00 178.44 178.12 3gkf h ARG 93 N -0.14 1.08 0.13 1.25 3.08 -1.35 -2.62 114.38 115.81 3gkf h ARG 93 Ca 0.16 -0.25 -0.26 0.00 0.07 0.00 0.00 59.98 59.71 3gkf h ARG 93 Cb 0.38 -0.15 0.03 0.00 0.08 0.00 0.00 29.97 30.31 3gkf h ARG 93 CO -0.39 0.95 -1.08 0.66 -1.07 0.00 0.00 179.97 179.03 3gkf h SER 94 N 1.02 0.73 0.00 7.04 4.64 -0.94 -3.41 113.55 122.62 3gkf h SER 94 Ca 0.22 -0.86 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3gkf h SER 94 Cb 0.33 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3gkf h SER 94 CO -0.00 1.52 0.00 1.33 -0.87 0.00 0.00 176.83 178.81 3gkf n VAL 95 N -3.93 0.12 -3.66 0.95 0.24 0.28 -4.97 118.33 107.36 3gkf n VAL 95 Ca -0.14 -0.19 -0.38 0.00 -2.04 0.00 0.00 64.34 61.60 3gkf n VAL 95 Cb 0.92 1.33 -0.12 0.00 -1.47 0.00 0.00 33.84 34.50 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 -0.12 4.82 0.12 3.34 1.01 -0.99 -4.68 120.40 123.89 3gkf s VAL 96 Ca 0.00 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3gkf s VAL 96 Cb 0.00 -3.32 -0.08 0.00 0.00 0.00 0.00 36.38 32.98 3gkf s VAL 96 CO 0.00 0.24 1.45 -2.84 0.00 0.00 0.00 175.10 173.95 3gkf s PRO 97 N 1.68 4.29 0.40 2.72 0.02 -1.26 -4.71 135.00 138.13 3gkf s PRO 97 Ca 0.06 2.15 0.15 0.00 0.02 0.00 0.00 61.00 63.38 3gkf s PRO 97 Cb -0.16 -3.26 1.01 0.00 0.02 0.00 0.00 34.50 32.11 3gkf s PRO 97 CO 0.07 -0.50 1.86 -1.35 -0.33 0.00 0.00 177.00 176.75 3gkf h PRO 98 N 6.93 0.47 0.00 5.54 0.11 -1.95 0.88 132.00 143.98 3gkf h PRO 98 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gkf h PRO 98 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3gkf h PRO 98 CO 0.88 0.31 0.00 0.00 -0.21 0.00 0.00 178.00 178.98 3gkf n ALA 99 N -2.49 1.99 0.31 -0.75 0.00 -1.26 -2.35 120.51 115.96 3gkf n ALA 99 Ca 0.19 -0.09 0.19 0.00 0.00 0.00 0.00 53.44 53.73 3gkf n ALA 99 Cb 0.63 -1.28 1.00 0.00 0.00 0.00 0.00 19.45 19.80 3gkf n ALA 99 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gkf h THR 100 N 0.00 0.10 -6.70 0.00 2.02 -1.19 -3.45 112.91 103.70 3gkf h THR 100 Ca 0.00 0.00 -0.54 0.00 0.77 0.00 0.00 66.41 66.64 3gkf h THR 100 Cb 0.13 0.85 -0.18 0.00 -1.74 0.00 0.00 68.15 67.21 3gkf h THR 100 CO 0.00 0.00 -0.84 -3.20 0.37 0.00 0.00 175.52 171.85 3gkf n ASN 101 N -3.16 -2.92 -4.25 4.18 5.15 -0.99 -4.88 115.26 108.39 3gkf n ASN 101 Ca -0.02 -1.00 -0.26 0.00 -0.60 0.00 0.00 54.58 52.70 3gkf n ASN 101 Cb 0.23 -2.84 -0.15 0.00 -0.53 0.00 0.00 39.78 36.49 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 -6.87 1.52 0.44 1.20 6.06 -1.26 -5.12 118.95 114.92 3gkf s ARG 102 Ca 0.63 -0.88 -0.25 0.00 -2.50 0.00 0.00 55.73 52.72 3gkf s ARG 102 Cb -0.34 -1.58 -0.08 0.00 0.06 0.00 0.00 34.95 33.01 3gkf s ARG 102 CO 0.92 0.42 1.36 -2.14 -2.50 0.00 0.00 175.30 173.35 3gkf s PRO 103 N -0.93 3.77 0.08 5.12 0.02 -1.26 -4.81 135.00 136.99 3gkf s PRO 103 Ca 0.08 2.26 0.08 0.00 0.02 0.00 0.00 61.00 63.45 3gkf s PRO 103 Cb -0.09 -2.66 -0.03 0.00 0.02 0.00 0.00 34.50 31.74 3gkf s PRO 103 CO 0.01 -0.69 -0.22 0.14 -0.33 0.00 0.00 177.00 175.91 3gkf s VAL 104 N -1.25 1.81 -0.34 3.83 -7.23 -1.26 -0.77 120.40 115.19 3gkf s VAL 104 Ca 0.60 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 59.27 3gkf s VAL 104 Cb -0.40 -1.61 0.05 0.00 0.56 0.00 0.00 36.38 34.98 3gkf s VAL 104 CO 0.51 0.08 0.11 -0.69 -0.31 0.00 0.00 175.10 174.81 3gkf s VAL 105 N -1.00 3.63 0.07 1.32 1.01 0.85 -0.98 120.40 125.31 3gkf s VAL 105 Ca 0.08 -1.28 -0.31 0.00 0.00 0.00 0.00 61.98 60.48 3gkf s VAL 105 Cb -0.10 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 3gkf s VAL 105 CO 0.03 -0.24 1.24 -0.76 0.00 0.00 0.00 175.10 175.37 3gkf s LEU 106 N 1.36 4.37 -0.11 3.92 1.43 0.18 -3.37 118.68 126.45 3gkf s LEU 106 Ca -0.01 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.87 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 -0.51 1.35 -0.60 0.23 0.00 0.00 176.35 176.84 3gkf s ARG 107 N 1.08 4.24 -0.08 1.70 6.06 -0.64 -0.35 118.95 130.96 3gkf s ARG 107 Ca 0.60 1.80 0.11 0.00 -2.50 0.00 0.00 55.73 55.74 3gkf s ARG 107 Cb -0.31 -3.76 0.22 0.00 0.06 0.00 0.00 34.95 31.16 3gkf s ARG 107 CO 0.29 -0.69 1.14 0.00 -2.50 0.00 0.00 175.30 173.54 3gkf n ALA 108 N 6.41 2.25 -2.55 6.12 0.00 0.46 -4.53 120.51 128.67 3gkf n ALA 108 Ca 0.14 -1.89 -0.26 0.00 0.00 0.00 0.00 53.44 51.43 3gkf n ALA 108 Cb 0.44 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 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 -1.94 3.82 0.00 0.00 1.04 -1.20 0.17 113.70 115.59 3gkf s SER 109 Ca 0.21 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.47 3gkf s SER 109 Cb 0.18 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.91 3gkf s SER 109 CO 0.04 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3gkf n GLY 110 N -0.83 -0.59 2.00 7.32 0.00 -0.38 -4.61 105.19 108.10 3gkf n GLY 110 Ca -0.05 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.60 4.61 0.00 -1.26 -0.20 120.51 121.05 3gkf n ALA 111 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3gkf n ALA 111 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.15 4.91 0.20 0.00 4.22 -1.23 -4.77 114.94 116.11 3gkf s ASN 112 Ca 0.00 -0.60 0.04 0.00 -2.14 0.00 0.00 52.86 50.16 3gkf s ASN 112 Cb 0.00 -0.92 -0.05 0.00 1.28 0.00 0.00 41.25 41.56 3gkf s ASN 112 CO 0.00 -0.19 -0.03 -0.44 -2.04 0.00 0.00 177.10 174.40 3gkf s SER 113 N -3.83 1.80 0.00 3.54 0.01 -1.26 -4.41 113.70 109.54 3gkf s SER 113 Ca 0.36 -1.15 0.22 0.00 1.31 0.00 0.00 55.95 56.69 3gkf s SER 113 Cb -0.05 0.01 1.19 0.00 0.21 0.00 0.00 66.02 67.38 3gkf s SER 113 CO 0.23 -0.46 1.72 2.30 0.41 0.00 0.00 173.24 177.44 3gkf n ILE 114 N -0.35 0.22 1.29 1.44 -5.35 -0.64 -2.96 119.36 113.01 3gkf n ILE 114 Ca -0.07 0.06 0.13 0.00 -0.27 0.00 0.00 62.75 62.60 3gkf n ILE 114 Cb 0.63 -0.69 0.39 0.00 -1.74 0.00 0.00 39.64 38.22 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 -1.20 1.20 0.00 7.28 4.77 -1.26 -4.95 117.00 122.84 3gkf n LEU 115 Ca 0.12 -0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3gkf n LEU 115 Cb 0.15 -0.09 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3gkf n LEU 115 CO 0.16 0.22 -0.00 0.00 -1.33 0.00 0.00 177.39 176.43 3gkf n ALA 116 N -0.41 0.01 -1.69 -1.18 0.00 -1.15 -5.10 120.51 110.99 3gkf n ALA 116 Ca 0.14 -0.03 -0.44 0.00 0.00 0.00 0.00 53.44 53.10 3gkf n ALA 116 Cb 0.36 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.80 3gkf n ALA 116 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3gkf n GLU 117 N -0.01 2.49 -0.06 0.00 4.07 -1.26 -4.73 120.64 121.13 3gkf n GLU 117 Ca 0.00 0.90 -0.06 0.00 -0.06 0.00 0.00 57.16 57.94 3gkf n GLU 117 Cb 0.01 -2.73 0.12 0.00 -0.06 0.00 0.00 31.44 28.78 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 7.20 0.71 0.00 4.31 5.85 -1.96 -3.06 115.31 128.36 3gkf h LEU 118 Ca -0.45 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.02 3gkf h LEU 118 Cb 1.23 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3gkf h LEU 118 CO 0.93 0.91 0.00 -1.54 -0.34 0.00 0.00 178.44 178.40 3gkf n SER 119 N -4.12 0.00 -4.49 1.25 3.41 -1.26 -4.58 113.62 103.82 3gkf n SER 119 Ca 0.00 -0.64 -0.43 0.00 -0.26 0.00 0.00 58.87 57.55 3gkf n SER 119 Cb 0.41 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.09 4.90 -4.51 4.04 5.15 -1.16 -4.53 115.26 118.06 3gkf n ASN 120 Ca 0.19 -2.92 -0.29 0.00 -0.60 0.00 0.00 54.58 50.96 3gkf n ASN 120 Cb 0.13 -1.72 -0.11 0.00 -0.53 0.00 0.00 39.78 37.56 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 3.74 1.85 0.27 1.20 2.02 -1.26 -3.53 118.70 123.00 3gkf s GLU 121 Ca 0.52 -1.22 0.04 0.00 0.02 0.00 0.00 54.97 54.32 3gkf s GLU 121 Cb 0.04 -2.12 -0.06 0.00 0.10 0.00 0.00 34.13 32.10 3gkf s GLU 121 CO 0.06 0.46 0.02 0.00 0.02 0.00 0.00 175.26 175.82 3gkf s ALA 122 N -1.34 2.07 0.10 5.21 0.00 0.71 -4.73 121.76 123.79 3gkf s ALA 122 Ca 0.20 -1.90 -0.31 0.00 0.00 0.00 0.00 51.96 49.95 3gkf s ALA 122 Cb -0.10 0.57 -0.09 0.00 0.00 0.00 0.00 23.12 23.50 3gkf s ALA 122 CO 0.12 -0.27 1.56 0.08 0.00 0.00 0.00 175.76 177.25 3gkf s VAL 123 N -3.35 2.99 -2.59 0.00 1.01 -1.26 -1.26 120.40 115.94 3gkf s VAL 123 Ca 0.32 0.60 0.22 0.00 0.00 0.00 0.00 61.98 63.12 3gkf s VAL 123 Cb 0.07 -3.38 0.25 0.00 0.00 0.00 0.00 36.38 33.31 3gkf s VAL 123 CO 0.12 0.02 1.25 0.00 0.00 0.00 0.00 175.10 176.49 3gkf n ALA 124 N 4.73 2.44 -3.56 5.51 0.00 0.46 -4.84 120.51 125.25 3gkf n ALA 124 Ca 0.14 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 3gkf n ALA 124 Cb 0.40 -0.76 -0.05 0.00 0.00 0.00 0.00 19.45 19.04 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 -1.69 -0.38 0.41 0.00 0.05 -1.25 -4.92 118.68 110.90 3gkf s LEU 125 Ca 0.29 0.34 -0.21 0.00 0.05 0.00 0.00 54.13 54.60 3gkf s LEU 125 Cb 0.19 1.91 -0.11 0.00 -2.05 0.00 0.00 46.19 46.14 3gkf s LEU 125 CO 0.28 -0.40 0.94 -0.94 -0.55 0.00 0.00 176.35 175.69 3gkf s SER 126 N -1.37 6.99 0.54 1.48 1.04 -1.26 -4.91 113.70 116.20 3gkf s SER 126 Ca -0.01 1.70 0.19 0.00 0.48 0.00 0.00 55.95 58.32 3gkf s SER 126 Cb -0.01 -2.54 1.39 0.00 0.10 0.00 0.00 66.02 64.97 3gkf s SER 126 CO 0.00 -0.32 2.16 -0.03 0.98 0.00 0.00 173.24 176.03 3gkf h MET 127 N 2.07 0.00 -0.43 4.02 4.05 -1.97 -1.10 114.93 121.57 3gkf h MET 127 Ca -0.49 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.02 3gkf h MET 127 Cb 1.18 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.89 3gkf h MET 127 CO 0.62 0.00 -0.25 0.22 0.23 0.00 0.00 176.91 177.72 3gkf h ASP 128 N 0.00 -0.85 0.36 1.39 3.58 -1.97 0.28 116.42 119.21 3gkf h ASP 128 Ca 0.02 0.18 -0.18 0.00 0.42 0.00 0.00 57.03 57.46 3gkf h ASP 128 Cb 0.07 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 3gkf h ASP 128 CO -0.00 -0.27 -0.75 -0.78 -2.88 0.00 0.00 179.24 174.56 3gkf h ASP 129 N -0.17 0.38 -0.62 2.28 3.58 -1.61 -1.63 116.42 118.63 3gkf h ASP 129 Ca 0.20 -0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.43 3gkf h ASP 129 Cb 0.49 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 3gkf h ASP 129 CO -0.53 1.00 0.37 0.00 -2.88 0.00 0.00 179.24 177.19 3gkf h ALA 130 N 0.99 0.82 -0.27 -0.78 0.00 -0.49 0.98 119.26 120.52 3gkf h ALA 130 Ca -0.03 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3gkf h ALA 130 Cb 1.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3gkf h ALA 130 CO 0.12 0.08 -0.21 0.28 0.00 0.00 0.00 179.25 179.52 3gkf h VAL 131 N 0.71 1.26 0.00 0.00 2.07 -0.41 -2.05 116.25 117.83 3gkf h VAL 131 Ca 0.26 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.54 3gkf h VAL 131 Cb 0.08 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3gkf h VAL 131 CO -0.13 0.38 -0.20 -0.09 0.02 0.00 0.00 177.57 177.55 3gkf h ARG 132 N 0.44 0.00 -0.65 1.57 2.43 -0.12 -2.06 114.38 115.99 3gkf h ARG 132 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3gkf h ARG 132 Cb 0.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 3gkf h ARG 132 CO 0.04 0.20 0.00 1.28 -1.51 0.00 0.00 179.97 179.98 3gkf n LEU 133 N -3.77 3.52 -3.77 3.80 4.77 0.19 -4.95 117.00 116.78 3gkf n LEU 133 Ca -0.02 -1.76 -0.26 0.00 -0.03 0.00 0.00 56.01 53.95 3gkf n LEU 133 Cb 0.31 -0.44 0.04 0.00 -2.33 0.00 0.00 43.42 41.00 3gkf n LEU 133 CO 0.33 0.87 0.08 -3.20 -1.33 0.00 0.00 177.39 174.14 3gkf n ASN 134 N 1.40 -3.76 -4.80 -1.43 5.15 -0.78 -4.94 115.26 106.10 3gkf n ASN 134 Ca 0.22 -0.75 -0.32 0.00 -0.60 0.00 0.00 54.58 53.13 3gkf n ASN 134 Cb 0.56 -4.19 0.02 0.00 -0.53 0.00 0.00 39.78 35.63 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 -3.70 5.71 0.14 1.20 0.01 -1.00 -4.76 113.70 111.30 3gkf s SER 135 Ca 0.41 1.78 0.22 0.00 1.31 0.00 0.00 55.95 59.67 3gkf s SER 135 Cb -0.20 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 3gkf s SER 135 CO 0.80 -1.22 0.91 0.00 0.41 0.00 0.00 173.24 174.14 3gkf s ALA 137 N -3.34 -1.81 0.05 0.00 0.00 -1.22 -4.12 121.76 111.32 3gkf s ALA 137 Ca -0.02 0.69 0.09 0.00 0.00 0.00 0.00 51.96 52.71 3gkf s ALA 137 Cb 0.10 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3gkf s ALA 137 CO 0.81 -0.85 -0.25 0.14 0.00 0.00 0.00 175.76 175.61 3gkf s VAL 138 N -3.07 2.03 0.03 0.00 -7.23 -0.86 -0.65 120.40 110.66 3gkf s VAL 138 Ca 0.09 -1.35 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 3gkf s VAL 138 Cb -0.01 -1.75 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 3gkf s VAL 138 CO -0.04 0.33 -0.16 0.00 -0.31 0.00 0.00 175.10 174.92 3gkf s ALA 139 N -0.81 1.32 0.13 1.32 0.00 0.52 -0.16 121.76 124.10 3gkf s ALA 139 Ca 0.11 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 3gkf s ALA 139 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3gkf s ALA 139 CO 0.02 0.28 0.19 0.00 0.00 0.00 0.00 175.76 176.25 3gkf s ALA 140 N -0.75 0.19 -0.04 0.00 0.00 -0.56 0.17 121.76 120.76 3gkf s ALA 140 Ca 0.04 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.91 3gkf s ALA 140 Cb -0.08 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.73 3gkf s ALA 140 CO 0.01 -0.56 0.28 -0.65 0.00 0.00 0.00 175.76 174.84 3gkf s GLN 141 N -3.96 3.67 -0.05 0.00 -1.52 -1.26 -0.35 119.66 116.19 3gkf s GLN 141 Ca 0.15 0.12 0.03 0.00 -1.95 0.00 0.00 55.36 53.71 3gkf s GLN 141 Cb 0.05 -3.18 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 3gkf s GLN 141 CO -0.03 0.72 -0.14 0.54 -0.25 0.00 0.00 175.29 176.13 3gkf s VAL 142 N -1.10 3.08 -0.59 1.09 0.11 0.15 -4.76 120.40 118.38 3gkf s VAL 142 Ca 0.21 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.61 3gkf s VAL 142 Cb -0.14 -2.21 0.25 0.00 -1.53 0.00 0.00 36.38 32.75 3gkf s VAL 142 CO 0.10 0.59 0.69 -1.22 -3.33 0.00 0.00 175.10 171.94 3gkf n TYR 143 N 2.32 2.79 -1.72 1.54 4.01 -1.26 -1.12 117.16 123.73 3gkf n TYR 143 Ca -0.17 -4.03 -0.42 0.00 -0.16 0.00 0.00 57.90 53.11 3gkf n TYR 143 Cb 0.52 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 3gkf n TYR 143 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3gkf n ILE 144 N 1.00 1.73 0.00 -0.72 2.08 -1.26 -1.99 119.36 120.20 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 0.43 -1.70 0.00 0.00 -0.75 0.00 0.00 39.64 37.63 3gkf n ILE 144 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3gkf n GLY 145 N 1.06 2.81 3.96 7.39 0.00 -1.26 -4.94 105.19 114.21 3gkf n GLY 145 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.34 3.98 0.29 1.61 0.01 -0.84 -4.97 113.70 111.44 3gkf s SER 146 Ca 0.00 0.04 0.02 0.00 1.31 0.00 0.00 55.95 57.32 3gkf s SER 146 Cb 0.00 -0.35 0.45 0.00 0.21 0.00 0.00 66.02 66.33 3gkf s SER 146 CO 0.00 -2.13 1.77 -0.08 0.41 0.00 0.00 173.24 173.21 3gkf h GLU 147 N -0.96 0.55 -0.86 12.44 4.81 -1.94 -3.06 114.58 125.58 3gkf h GLU 147 Ca -0.41 -0.17 -0.59 0.00 -0.13 0.00 0.00 59.36 58.06 3gkf h GLU 147 Cb 1.26 -0.05 -0.34 0.00 0.63 0.00 0.00 28.75 30.25 3gkf h GLU 147 CO 0.44 0.67 0.11 0.66 -0.73 0.00 0.00 179.01 180.16 3gkf n TYR 148 N -4.19 2.90 0.10 0.92 4.01 -1.26 -4.69 117.16 114.95 3gkf n TYR 148 Ca 0.01 -2.58 0.00 0.00 -0.16 0.00 0.00 57.90 55.17 3gkf n TYR 148 Cb 0.34 -0.92 0.30 0.00 -0.31 0.00 0.00 39.34 38.74 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 1.98 0.24 0.45 -0.72 4.81 -1.68 -2.20 114.58 117.47 3gkf h GLU 149 Ca 0.49 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.61 3gkf h GLU 149 Cb 1.22 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3gkf h GLU 149 CO 1.16 0.51 -0.22 1.25 -0.73 0.00 0.00 179.01 180.99 3gkf h HIS 150 N 0.21 -0.56 -0.83 0.92 2.76 -1.88 -2.60 115.15 113.18 3gkf h HIS 150 Ca 0.03 -0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.37 3gkf h HIS 150 Cb 0.61 0.18 -0.11 0.00 1.55 0.00 0.00 27.41 29.65 3gkf h HIS 150 CO 0.01 -0.24 0.34 0.37 -1.30 0.00 0.00 177.93 177.11 3gkf h GLN 151 N -0.87 0.41 -0.92 5.26 5.75 -1.93 -0.96 115.11 121.86 3gkf h GLN 151 Ca -0.06 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 3gkf h GLN 151 Cb 0.57 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 3gkf h GLN 151 CO 0.10 0.27 0.55 0.66 -2.65 0.00 0.00 178.83 177.76 3gkf h SER 152 N 0.42 1.12 -0.14 -0.69 4.64 -1.18 0.62 113.55 118.34 3gkf h SER 152 Ca 0.48 -0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.64 3gkf h SER 152 Cb 0.83 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3gkf h SER 152 CO -0.47 0.87 -0.27 0.40 -0.87 0.00 0.00 176.83 176.49 3gkf h ILE 153 N 1.28 1.36 -1.01 0.95 2.04 -1.02 -2.60 117.51 118.51 3gkf h ILE 153 Ca 0.33 -1.53 0.23 0.00 1.00 0.00 0.00 64.86 64.90 3gkf h ILE 153 Cb -0.04 2.01 -0.10 0.00 -0.74 0.00 0.00 36.82 37.95 3gkf h ILE 153 CO -0.06 0.45 0.63 0.11 0.00 0.00 0.00 178.15 179.28 3gkf h LYS 154 N 0.04 0.52 -0.13 2.37 1.57 -0.55 0.17 116.57 120.56 3gkf h LYS 154 Ca 0.01 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gkf h LYS 154 Cb 0.86 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3gkf h LYS 154 CO 0.06 0.35 0.07 -0.91 -0.57 0.00 0.00 179.45 178.45 3gkf h ASN 155 N 0.54 0.17 -0.45 0.86 2.35 -0.54 0.13 115.58 118.63 3gkf h ASN 155 Ca 0.59 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 56.26 3gkf h ASN 155 Cb 1.24 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.54 3gkf h ASN 155 CO -0.34 0.21 0.29 0.40 -1.65 0.00 0.00 177.43 176.33 3gkf h ILE 156 N 0.11 1.08 -0.10 2.81 1.08 -0.61 -1.57 117.51 120.31 3gkf h ILE 156 Ca 0.05 -0.20 0.04 0.00 -0.39 0.00 0.00 64.86 64.36 3gkf h ILE 156 Cb 0.08 0.45 -0.05 0.00 -3.07 0.00 0.00 36.82 34.24 3gkf h ILE 156 CO -0.01 0.11 -0.17 0.40 -0.69 0.00 0.00 178.15 177.79 3gkf h ILE 157 N 0.58 0.57 -0.43 -0.67 2.04 -0.40 -0.22 117.51 118.97 3gkf h ILE 157 Ca 0.17 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 3gkf h ILE 157 Cb -0.03 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3gkf h ILE 157 CO -0.06 0.00 0.11 -0.61 0.00 0.00 0.00 178.15 177.59 3gkf h GLN 158 N -0.22 0.64 -0.43 2.37 4.15 -0.52 -0.03 115.11 121.07 3gkf h GLN 158 Ca 0.09 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.27 3gkf h GLN 158 Cb 0.35 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3gkf h GLN 158 CO -0.23 0.59 -0.22 -0.07 -1.93 0.00 0.00 178.83 176.96 3gkf h LEU 159 N 0.63 0.89 -0.37 -2.39 3.38 -0.48 -2.46 115.31 114.51 3gkf h LEU 159 Ca 0.15 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3gkf h LEU 159 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3gkf h LEU 159 CO -0.00 1.07 -0.15 0.58 0.09 0.00 0.00 178.44 180.03 3gkf h VAL 160 N 0.75 1.28 -0.72 1.22 2.07 -0.39 0.19 116.25 120.65 3gkf h VAL 160 Ca 0.10 -1.26 0.09 0.00 0.82 0.00 0.00 66.70 66.46 3gkf h VAL 160 Cb 0.76 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 3gkf h VAL 160 CO 0.06 0.41 0.37 0.44 0.02 0.00 0.00 177.57 178.88 3gkf h ASP 161 N 0.54 0.49 -0.27 0.57 3.32 -0.93 0.20 116.42 120.35 3gkf h ASP 161 Ca 0.09 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 57.00 3gkf h ASP 161 Cb 0.68 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3gkf h ASP 161 CO 0.05 0.28 -0.57 0.00 -1.72 0.00 0.00 179.24 177.28 3gkf h ALA 162 N 1.43 0.43 -0.05 3.45 0.00 -1.25 -3.25 119.26 120.02 3gkf h ALA 162 Ca 0.35 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3gkf h ALA 162 Cb 0.36 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3gkf h ALA 162 CO -0.26 0.67 -0.47 0.78 0.00 0.00 0.00 179.25 179.97 3gkf h GLY 163 N 0.64 0.14 1.86 0.00 0.00 0.11 -2.39 103.07 103.43 3gkf h GLY 163 Ca 0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 47.33 47.09 3gkf h GLY 163 CO 0.13 0.13 -0.46 -0.33 0.00 0.00 0.00 176.54 176.00 3gkf h MET 164 N 0.10 0.15 0.00 4.80 2.07 -1.02 0.41 114.93 121.44 3gkf h MET 164 Ca 0.00 -0.08 -0.01 0.00 -2.07 0.00 0.00 59.70 57.54 3gkf h MET 164 Cb 0.87 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.60 3gkf h MET 164 CO 0.07 0.59 -0.07 0.87 1.07 0.00 0.00 176.91 179.44 3gkf h LYS 165 N 0.13 0.00 0.00 1.72 1.57 -1.46 -3.34 116.57 115.18 3gkf h LYS 165 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gkf h LYS 165 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 3gkf h LYS 165 CO 0.07 0.07 0.00 1.55 -0.57 0.00 0.00 179.45 180.56 3gkf n VAL 166 N -3.54 0.00 -0.65 0.50 3.14 -0.45 -5.01 118.33 112.31 3gkf n VAL 166 Ca -0.02 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.13 3gkf n VAL 166 Cb 0.18 1.35 0.00 0.00 -1.06 0.00 0.00 33.84 34.32 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 0.16 0.68 3.46 7.55 0.00 0.13 -4.97 105.19 112.20 3gkf n GLY 167 Ca 0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.35 3.22 0.67 1.61 0.00 -0.12 -3.96 119.30 119.37 3gkf s MET 168 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 55.69 54.71 3gkf s MET 168 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 34.83 31.07 3gkf s MET 168 CO 0.00 -0.54 1.19 -2.14 0.00 0.00 0.00 175.02 173.53 3gkf s PRO 169 N 1.65 2.56 -0.08 4.11 0.02 -1.26 -4.44 135.00 137.56 3gkf s PRO 169 Ca 0.05 1.72 0.03 0.00 0.02 0.00 0.00 61.00 62.82 3gkf s PRO 169 Cb -0.18 -1.89 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 3gkf s PRO 169 CO 0.09 -1.51 -0.18 0.99 -0.33 0.00 0.00 177.00 176.06 3gkf s THR 170 N -1.90 2.71 -0.22 0.99 2.01 -1.26 -2.03 115.64 115.94 3gkf s THR 170 Ca 0.74 -0.82 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 3gkf s THR 170 Cb -0.28 -2.06 -0.03 0.00 0.01 0.00 0.00 72.50 70.14 3gkf s THR 170 CO 0.40 0.56 0.03 -0.32 -0.69 0.00 0.00 174.62 174.61 3gkf s MET 171 N -0.19 3.67 -0.19 4.92 1.75 0.78 -1.04 119.30 129.00 3gkf s MET 171 Ca -0.01 -0.48 -0.12 0.00 -1.25 0.00 0.00 55.69 53.83 3gkf s MET 171 Cb -0.13 -3.19 -0.05 0.00 2.84 0.00 0.00 34.83 34.30 3gkf s MET 171 CO 0.03 -0.03 0.21 0.00 -0.65 0.00 0.00 175.02 174.58 3gkf s ALA 172 N 1.16 3.63 -0.12 4.11 0.00 -0.04 -1.50 121.76 128.99 3gkf s ALA 172 Ca 0.04 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 3gkf s ALA 172 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 3gkf s ALA 172 CO 0.02 0.04 -0.07 0.08 0.00 0.00 0.00 175.76 175.84 3gkf s VAL 173 N 0.59 3.67 -0.47 0.00 1.01 0.52 -0.74 120.40 124.99 3gkf s VAL 173 Ca 0.12 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.41 3gkf s VAL 173 Cb -0.12 -2.56 0.03 0.00 0.00 0.00 0.00 36.38 33.73 3gkf s VAL 173 CO 0.02 0.54 0.79 0.42 0.00 0.00 0.00 175.10 176.86 3gkf s THR 174 N -0.04 4.63 0.07 3.92 -4.23 -0.73 0.34 115.64 119.60 3gkf s THR 174 Ca 0.00 0.32 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3gkf s THR 174 Cb -0.13 -4.35 -0.05 0.00 1.34 0.00 0.00 72.50 69.31 3gkf s THR 174 CO 0.03 -0.78 0.26 -0.83 -0.54 0.00 0.00 174.62 172.76 3gkf s GLY 175 N 2.27 2.21 0.00 3.99 0.00 -0.27 -4.81 107.32 110.71 3gkf s GLY 175 Ca 0.28 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3gkf s GLY 175 CO 0.21 -0.64 0.00 -0.62 0.00 0.00 0.00 173.10 172.05 3gkf n VAL 176 N 0.43 0.00 -2.15 1.40 0.31 -1.26 -4.40 118.33 112.66 3gkf n VAL 176 Ca -0.06 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.23 3gkf n VAL 176 Cb 0.52 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.45 3gkf n VAL 176 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3gkf n ARG 182 N 0.00 0.37 -4.02 5.55 0.63 -1.26 -5.05 116.66 112.88 3gkf n ARG 182 Ca 0.00 -0.83 -0.26 0.00 -0.92 0.00 0.00 57.85 55.84 3gkf n ARG 182 Cb 0.00 0.44 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 3gkf n ARG 182 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3gkf s ASP 183 N -0.81 4.56 0.14 6.15 -4.77 -1.26 -4.97 116.67 115.71 3gkf s ASP 183 Ca 0.02 -1.21 -0.22 0.00 -3.30 0.00 0.00 52.55 47.84 3gkf s ASP 183 Cb 0.12 0.13 0.00 0.00 -1.09 0.00 0.00 42.92 42.09 3gkf s ASP 183 CO -0.03 -0.90 1.65 -0.61 0.70 0.00 0.00 175.17 175.97 3gkf h GLN 184 N 1.00 -0.21 -0.94 2.11 -0.00 -1.92 -1.38 115.11 113.78 3gkf h GLN 184 Ca -0.39 0.01 0.16 0.00 -0.00 0.00 0.00 58.65 58.43 3gkf h GLN 184 Cb 1.29 0.05 -0.08 0.00 0.00 0.00 0.00 27.48 28.74 3gkf h GLN 184 CO 0.62 -0.14 0.60 0.07 0.00 0.00 0.00 178.83 179.98 3gkf h ARG 185 N -0.22 0.72 0.25 1.69 0.11 -1.94 0.13 114.38 115.12 3gkf h ARG 185 Ca 0.11 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 3gkf h ARG 185 Cb 0.38 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 31.30 3gkf h ARG 185 CO -0.30 0.48 -0.12 -0.92 0.10 0.00 0.00 179.97 179.21 3gkf h TYR 186 N 0.74 -0.31 0.00 4.08 3.20 -1.67 -2.50 116.97 120.51 3gkf h TYR 186 Ca 0.49 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.32 3gkf h TYR 186 Cb 0.77 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 3gkf h TYR 186 CO -0.00 -0.01 -0.15 0.74 -1.64 0.00 0.00 178.16 177.10 3gkf h PHE 187 N -0.62 0.00 -0.00 -3.82 0.04 -0.58 -1.48 116.94 110.48 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 0.45 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 3gkf h PHE 187 CO 0.02 0.15 -0.00 0.77 -0.60 0.00 0.00 178.31 178.65 3gkf h SER 188 N 0.00 -0.01 0.13 2.17 0.02 -0.73 0.21 113.55 115.34 3gkf h SER 188 Ca -0.00 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3gkf h SER 188 Cb 0.30 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3gkf h SER 188 CO 0.02 -0.01 -0.24 0.25 -1.14 0.00 0.00 176.83 175.72 3gkf h LEU 189 N -0.01 -0.67 -0.38 5.07 5.85 -0.84 -1.25 115.31 123.09 3gkf h LEU 189 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3gkf h LEU 189 Cb 0.01 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3gkf h LEU 189 CO -0.01 -0.33 0.17 0.00 -0.34 0.00 0.00 178.44 177.93 3gkf h ALA 190 N 0.31 0.49 -0.40 1.25 0.00 -1.18 -1.00 119.26 118.74 3gkf h ALA 190 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3gkf h ALA 190 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3gkf h ALA 190 CO -0.13 0.07 -0.09 1.79 0.00 0.00 0.00 179.25 180.90 3gkf h THR 191 N 0.47 1.27 -0.32 0.00 1.35 -0.50 -2.40 112.91 112.79 3gkf h THR 191 Ca 0.13 -1.18 -0.06 0.00 -0.55 0.00 0.00 66.41 64.75 3gkf h THR 191 Cb 0.16 1.22 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3gkf h THR 191 CO -0.01 0.39 -0.05 -0.09 -0.25 0.00 0.00 175.52 175.52 3gkf h ARG 192 N 0.58 0.59 0.03 4.72 9.65 -1.08 0.39 114.38 129.26 3gkf h ARG 192 Ca 0.10 -0.21 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3gkf h ARG 192 Cb 0.61 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 3gkf h ARG 192 CO 0.04 0.76 -0.10 0.82 2.80 0.00 0.00 179.97 184.29 3gkf h ILE 193 N 0.38 0.76 -0.24 1.20 2.04 -1.19 0.18 117.51 120.64 3gkf h ILE 193 Ca 0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3gkf h ILE 193 Cb 0.52 0.76 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 3gkf h ILE 193 CO 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.82 3gkf h ALA 194 N 0.78 -0.36 -0.88 1.87 0.00 -1.18 0.18 119.26 119.66 3gkf h ALA 194 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3gkf h ALA 194 Cb 0.21 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3gkf h ALA 194 CO -0.08 -0.81 0.58 0.00 0.00 0.00 0.00 179.25 178.94 3gkf h ALA 195 N 0.46 1.14 -0.57 0.00 0.00 -0.62 -1.56 119.26 118.11 3gkf h ALA 195 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3gkf h ALA 195 Cb 0.56 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gkf h ALA 195 CO -0.44 0.47 0.05 1.49 0.00 0.00 0.00 179.25 180.82 3gkf h GLU 196 N 1.16 0.98 -0.68 0.00 4.57 0.09 -1.69 114.58 119.01 3gkf h GLU 196 Ca 0.34 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 58.30 3gkf h GLU 196 Cb -0.07 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.38 3gkf h GLU 196 CO -0.09 0.96 0.45 0.52 -1.18 0.00 0.00 179.01 179.67 3gkf h MET 197 N 0.88 0.63 0.00 1.92 2.86 0.33 -3.45 114.93 118.09 3gkf h MET 197 Ca 0.17 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3gkf h MET 197 Cb 0.49 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3gkf h MET 197 CO 0.02 0.41 0.00 0.41 1.06 0.00 0.00 176.91 178.82 3gkf n GLY 198 N -1.47 -0.25 3.71 8.32 0.00 -0.64 -4.95 105.19 109.92 3gkf n GLY 198 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 3gkf n GLY 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n ALA 199 N 0.00 2.25 0.07 4.61 0.00 -1.12 -4.85 120.51 121.47 3gkf n ALA 199 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 53.44 53.83 3gkf n ALA 199 Cb 0.00 -2.44 -0.06 0.00 0.00 0.00 0.00 19.45 16.95 3gkf n ALA 199 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gkf h GLN 200 N 5.82 0.00 -5.35 0.00 7.50 -1.42 -3.42 115.11 118.24 3gkf h GLN 200 Ca -0.45 0.00 -0.61 0.00 0.50 0.00 0.00 58.65 58.09 3gkf h GLN 200 Cb 1.23 0.00 -0.32 0.00 0.05 0.00 0.00 27.48 28.44 3gkf h GLN 200 CO 0.88 0.51 -0.85 0.42 -1.50 0.00 0.00 178.83 178.29 3gkf s ILE 201 N -2.86 1.68 -0.12 2.54 1.01 -0.58 -3.80 121.20 119.06 3gkf s ILE 201 Ca -0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 3gkf s ILE 201 Cb 0.08 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3gkf s ILE 201 CO 0.79 0.47 -0.05 -0.63 0.00 0.00 0.00 174.94 175.53 3gkf s ILE 202 N 0.17 3.84 -0.09 2.92 -1.09 -0.21 -0.86 121.20 125.87 3gkf s ILE 202 Ca -0.09 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 3gkf s ILE 202 Cb -0.14 -2.64 -0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3gkf s ILE 202 CO 0.04 0.54 -0.23 -0.75 -1.23 0.00 0.00 174.94 173.31 3gkf s LYS 203 N -0.09 2.97 0.28 2.79 2.20 0.08 -0.66 119.74 127.31 3gkf s LYS 203 Ca 0.02 -0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 54.70 3gkf s LYS 203 Cb -0.13 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 33.90 3gkf s LYS 203 CO 0.03 0.24 0.49 -2.37 -0.36 0.00 0.00 175.35 173.38 3gkf n THR 204 N 3.37 0.00 -3.91 3.43 5.66 0.42 -1.77 114.28 121.48 3gkf n THR 204 Ca -0.18 -0.97 -0.29 0.00 -3.05 0.00 0.00 64.05 59.55 3gkf n THR 204 Cb 0.53 0.77 -0.04 0.00 -1.55 0.00 0.00 70.33 70.04 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 -3.77 3.51 0.48 1.09 2.02 -1.26 0.24 117.35 119.66 3gkf s TYR 205 Ca 0.16 0.22 -0.20 0.00 -0.37 0.00 0.00 57.07 56.88 3gkf s TYR 205 Cb -0.02 -1.74 -0.09 0.00 -0.40 0.00 0.00 41.96 39.70 3gkf s TYR 205 CO 0.12 0.55 1.02 -0.47 -1.57 0.00 0.00 175.55 175.20 3gkf s TYR 206 N -1.60 3.07 -0.05 2.71 5.04 -1.26 -4.94 117.35 120.32 3gkf s TYR 206 Ca 0.35 1.58 0.01 0.00 -2.44 0.00 0.00 57.07 56.58 3gkf s TYR 206 Cb -0.12 -3.01 0.02 0.00 0.35 0.00 0.00 41.96 39.19 3gkf s TYR 206 CO 0.28 -0.68 -0.07 0.08 -1.34 0.00 0.00 175.55 173.82 3gkf s VAL 207 N -2.06 0.71 0.41 3.14 1.01 -1.26 -5.03 120.40 117.33 3gkf s VAL 207 Ca 0.66 -0.24 0.13 0.00 0.00 0.00 0.00 61.98 62.53 3gkf s VAL 207 Cb -0.15 -0.70 0.15 0.00 0.00 0.00 0.00 36.38 35.69 3gkf s VAL 207 CO 0.20 0.26 1.93 -0.33 0.00 0.00 0.00 175.10 177.15 3gkf h GLU 208 N 7.05 0.06 -4.88 2.72 5.08 -1.97 -3.34 114.58 119.30 3gkf h GLU 208 Ca -0.36 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.35 3gkf h GLU 208 Cb 1.16 -0.01 -0.35 0.00 0.50 0.00 0.00 28.75 30.05 3gkf h GLU 208 CO 0.48 0.28 -0.85 0.21 -1.00 0.00 0.00 179.01 178.13 3gkf s LYS 209 N -4.53 2.64 0.00 2.33 2.20 -1.26 -4.79 119.74 116.33 3gkf s LYS 209 Ca -0.04 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 54.87 3gkf s LYS 209 Cb 0.15 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 3gkf s LYS 209 CO 0.71 -0.20 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 3gkf n GLY 210 N 4.63 0.78 0.37 5.54 0.00 -1.26 -4.40 105.19 110.85 3gkf n GLY 210 Ca -0.19 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.80 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 0.63 -0.85 1.61 3.57 -1.87 -1.48 116.94 118.55 3gkf h PHE 211 Ca 0.00 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.62 3gkf h PHE 211 Cb 0.00 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 38.46 3gkf h PHE 211 CO 0.00 0.27 0.49 0.93 -2.23 0.00 0.00 178.31 177.77 3gkf h GLU 212 N 0.56 0.78 -0.59 1.11 5.08 -1.92 -0.13 114.58 119.48 3gkf h GLU 212 Ca 0.36 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3gkf h GLU 212 Cb 0.63 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3gkf h GLU 212 CO -0.13 0.51 0.12 0.00 -1.00 0.00 0.00 179.01 178.51 3gkf h ARG 213 N 0.80 0.93 0.41 2.33 3.08 -1.65 0.25 114.38 120.53 3gkf h ARG 213 Ca 0.42 -0.22 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 3gkf h ARG 213 Cb 0.40 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3gkf h ARG 213 CO -0.26 0.85 -0.20 0.82 -1.07 0.00 0.00 179.97 180.12 3gkf h ILE 214 N 0.89 0.60 -0.15 2.04 2.04 -0.95 -0.21 117.51 121.78 3gkf h ILE 214 Ca 0.19 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3gkf h ILE 214 Cb 0.36 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3gkf h ILE 214 CO 0.00 0.03 0.00 0.58 0.00 0.00 0.00 178.15 178.76 3gkf h VAL 215 N -0.63 0.90 -0.32 1.67 2.07 -1.00 -2.31 116.25 116.63 3gkf h VAL 215 Ca -0.06 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3gkf h VAL 215 Cb 0.46 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3gkf h VAL 215 CO 0.09 0.01 0.14 0.00 0.02 0.00 0.00 177.57 177.83 3gkf h ALA 216 N 1.12 1.66 0.00 1.67 0.00 -0.38 -1.48 119.26 121.85 3gkf h ALA 216 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3gkf h ALA 216 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3gkf h ALA 216 CO -0.11 0.28 -0.11 0.41 0.00 0.00 0.00 179.25 179.72 3gkf n GLY 217 N -1.30 -1.56 3.70 0.00 0.00 -0.10 -4.76 105.19 101.17 3gkf n GLY 217 Ca 0.02 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 3gkf n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gkf n PRO 219 N 4.01 1.56 -4.29 0.00 -0.04 -1.26 -4.89 135.00 130.09 3gkf n PRO 219 Ca -0.08 -0.83 -0.15 0.00 -0.04 0.00 0.00 63.50 62.39 3gkf n PRO 219 Cb 0.51 -1.44 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.93 0.55 0.42 0.52 -7.23 -1.26 -3.56 120.40 107.91 3gkf s VAL 220 Ca 0.36 -1.99 -0.26 0.00 -1.81 0.00 0.00 61.98 58.28 3gkf s VAL 220 Cb 0.19 -2.48 -0.10 0.00 0.56 0.00 0.00 36.38 34.56 3gkf s VAL 220 CO 0.31 -0.14 1.35 -2.65 -0.31 0.00 0.00 175.10 173.66 3gkf n PRO 221 N -0.39 2.13 -4.92 4.82 -0.02 -1.24 -4.75 135.00 130.64 3gkf n PRO 221 Ca -0.02 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.89 3gkf n PRO 221 Cb 0.65 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.18 2.92 0.06 4.25 1.01 -1.26 -1.05 121.20 125.95 3gkf s ILE 222 Ca 0.60 -0.76 0.09 0.00 0.00 0.00 0.00 60.65 60.58 3gkf s ILE 222 Cb -0.49 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 3gkf s ILE 222 CO 0.59 0.57 -0.24 -0.69 0.00 0.00 0.00 174.94 175.17 3gkf s VAL 223 N -0.39 1.94 -0.05 2.92 1.01 0.16 0.48 120.40 126.47 3gkf s VAL 223 Ca 0.04 -1.38 0.01 0.00 0.00 0.00 0.00 61.98 60.64 3gkf s VAL 223 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3gkf s VAL 223 CO 0.02 0.23 -0.05 0.27 0.00 0.00 0.00 175.10 175.58 3gkf s ILE 224 N -0.87 3.88 0.28 2.22 -4.36 -0.90 -0.43 121.20 121.02 3gkf s ILE 224 Ca 0.10 -0.49 -0.15 0.00 -0.26 0.00 0.00 60.65 59.86 3gkf s ILE 224 Cb -0.10 -2.63 -0.08 0.00 1.25 0.00 0.00 42.46 40.90 3gkf s ILE 224 CO 0.03 0.54 0.69 0.00 0.24 0.00 0.00 174.94 176.44 3gkf s ALA 225 N -0.89 3.40 0.08 2.27 0.00 0.14 0.15 121.76 126.91 3gkf s ALA 225 Ca 0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 3gkf s ALA 225 Cb -0.11 -2.70 -0.12 0.00 0.00 0.00 0.00 23.12 20.19 3gkf s ALA 225 CO 0.04 0.37 1.35 0.78 0.00 0.00 0.00 175.76 178.30 3gkf h GLY 226 N 2.57 0.72 0.00 0.00 0.00 -0.42 -3.40 103.07 102.53 3gkf h GLY 226 Ca -0.48 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.01 3gkf h GLY 226 CO 0.66 0.75 0.00 0.61 0.00 0.00 0.00 176.54 178.56 3gkf n GLY 227 N 0.39 -1.63 3.68 4.60 0.00 -1.26 -4.93 105.19 106.03 3gkf n GLY 227 Ca -0.06 -1.53 -0.38 0.00 0.00 0.00 0.00 46.02 44.06 3gkf n GLY 227 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3gkf n LYS 228 N 0.00 1.08 -1.72 1.61 2.85 -1.26 -4.47 118.16 116.24 3gkf n LYS 228 Ca 0.00 0.42 -0.42 0.00 -1.05 0.00 0.00 58.31 57.25 3gkf n LYS 228 Cb 0.00 -2.36 -0.01 0.00 -0.65 0.00 0.00 35.03 32.01 3gkf n LYS 228 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3gkf n LYS 229 N -1.37 2.42 -4.43 -1.58 3.00 -1.26 -4.83 118.16 110.10 3gkf n LYS 229 Ca 0.14 0.85 -0.21 0.00 -0.00 0.00 0.00 58.31 59.09 3gkf n LYS 229 Cb 0.47 -2.55 -0.10 0.00 0.00 0.00 0.00 35.03 32.85 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 -0.85 2.43 0.32 3.14 1.43 -1.26 -5.04 118.68 118.86 3gkf s LEU 230 Ca 0.60 -1.23 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 3gkf s LEU 230 Cb -0.54 -0.58 -0.11 0.00 0.03 0.00 0.00 46.19 44.98 3gkf s LEU 230 CO 0.56 -0.40 1.57 -0.81 0.23 0.00 0.00 176.35 177.50 3gkf n PRO 231 N -0.60 2.73 -0.18 1.29 -0.04 -1.26 -4.79 135.00 132.15 3gkf n PRO 231 Ca -0.05 0.97 -0.02 0.00 -0.04 0.00 0.00 63.50 64.35 3gkf n PRO 231 Cb 0.64 -2.74 0.04 0.00 -0.04 0.00 0.00 33.50 31.40 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 4.19 -0.05 -0.83 0.54 3.07 -1.99 0.32 114.58 119.85 3gkf h GLU 232 Ca -0.48 0.00 0.20 0.00 -0.50 0.00 0.00 59.36 58.58 3gkf h GLU 232 Cb 1.23 0.01 -0.13 0.00 -0.84 0.00 0.00 28.75 29.02 3gkf h GLU 232 CO 0.74 -0.03 0.19 -0.09 -1.40 0.00 0.00 179.01 178.42 3gkf h ARG 233 N -0.05 0.21 -0.23 2.33 1.12 -1.98 0.22 114.38 116.00 3gkf h ARG 233 Ca 0.27 -0.01 -0.17 0.00 -1.11 0.00 0.00 59.98 58.95 3gkf h ARG 233 Cb 0.46 -0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.36 3gkf h ARG 233 CO -0.60 0.14 -0.54 0.93 -3.11 0.00 0.00 179.97 176.79 3gkf h GLU 234 N 0.22 0.70 -0.31 0.20 5.08 -0.75 -1.92 114.58 117.79 3gkf h GLU 234 Ca 0.49 -0.44 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3gkf h GLU 234 Cb 0.94 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3gkf h GLU 234 CO -0.62 1.06 0.07 0.00 -1.00 0.00 0.00 179.01 178.52 3gkf h ALA 235 N 0.86 0.41 -0.75 3.43 0.00 -0.23 -1.50 119.26 121.47 3gkf h ALA 235 Ca 0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.78 3gkf h ALA 235 Cb 1.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 3gkf h ALA 235 CO 0.11 0.08 0.47 -0.07 0.00 0.00 0.00 179.25 179.84 3gkf h LEU 236 N 0.34 0.75 -0.75 0.00 3.38 -0.57 0.27 115.31 118.73 3gkf h LEU 236 Ca 0.10 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.09 3gkf h LEU 236 Cb 0.31 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3gkf h LEU 236 CO 0.00 0.51 0.49 -0.08 0.09 0.00 0.00 178.44 179.45 3gkf h GLU 237 N 0.89 0.96 -0.19 1.13 4.22 -1.04 0.43 114.58 120.97 3gkf h GLU 237 Ca 0.31 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.71 3gkf h GLU 237 Cb 0.07 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 3gkf h GLU 237 CO -0.13 0.64 0.09 1.98 -2.18 0.00 0.00 179.01 179.40 3gkf h MET 238 N 0.99 0.18 0.06 1.92 4.05 -0.19 0.57 114.93 122.52 3gkf h MET 238 Ca 0.28 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.72 3gkf h MET 238 Cb -0.08 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.63 3gkf h MET 238 CO -0.07 0.12 -0.36 0.00 0.23 0.00 0.00 176.91 176.83 3gkf h TRP 240 N -0.55 0.35 -0.22 0.00 7.01 0.22 -1.19 115.95 121.55 3gkf h TRP 240 Ca 0.04 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.07 3gkf h TRP 240 Cb 0.61 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 3gkf h TRP 240 CO -0.35 0.05 0.12 1.96 -2.79 0.00 0.00 178.44 177.43 3gkf h GLN 241 N 0.36 0.32 0.11 2.65 1.08 -0.55 0.91 115.11 119.99 3gkf h GLN 241 Ca 0.32 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.49 3gkf h GLN 241 Cb 0.44 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 3gkf h GLN 241 CO -0.35 0.30 -0.15 0.00 -0.95 0.00 0.00 178.83 177.68 3gkf h ALA 242 N 0.99 -0.27 -0.21 3.87 0.00 -0.25 0.74 119.26 124.13 3gkf h ALA 242 Ca 0.08 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 3gkf h ALA 242 Cb 0.08 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3gkf h ALA 242 CO -0.01 -0.68 0.09 0.82 0.00 0.00 0.00 179.25 179.47 3gkf h ILE 243 N -0.31 0.97 -0.52 0.00 1.08 -1.20 -1.14 117.51 116.38 3gkf h ILE 243 Ca 0.02 -0.07 0.13 0.00 -0.39 0.00 0.00 64.86 64.54 3gkf h ILE 243 Cb 0.32 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 3gkf h ILE 243 CO -0.07 0.04 0.36 -0.78 -0.69 0.00 0.00 178.15 177.01 3gkf h ASP 244 N 0.20 0.12 -0.61 1.72 3.58 -0.47 -0.12 116.42 120.84 3gkf h ASP 244 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3gkf h ASP 244 Cb 0.04 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3gkf h ASP 244 CO -0.08 0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.35 3gkf n GLN 245 N -4.42 3.96 0.00 0.28 6.02 0.22 -4.93 117.38 118.52 3gkf n GLN 245 Ca 0.09 -2.83 0.00 0.00 -0.01 0.00 0.00 57.00 54.25 3gkf n GLN 245 Cb 0.50 -1.99 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 0.97 0.91 3.76 1.08 0.00 -0.06 -4.59 105.19 107.27 3gkf n GLY 246 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 2.59 -1.22 4.61 0.00 -0.52 -4.83 121.76 120.39 3gkf s ALA 247 Ca 0.00 0.88 0.23 0.00 0.00 0.00 0.00 51.96 53.07 3gkf s ALA 247 Cb 0.00 -3.40 0.11 0.00 0.00 0.00 0.00 23.12 19.83 3gkf s ALA 247 CO 0.00 -1.01 1.14 0.43 0.00 0.00 0.00 175.76 176.31 3gkf n SER 248 N -1.56 1.00 -3.62 0.00 7.64 0.18 -4.59 113.62 112.67 3gkf n SER 248 Ca 0.12 -0.84 -0.02 0.00 1.01 0.00 0.00 58.87 59.14 3gkf n SER 248 Cb 0.50 0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 64.32 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 -2.88 -0.35 0.02 0.23 0.00 -1.15 -1.30 107.32 101.90 3gkf s GLY 249 Ca 0.12 0.91 0.04 0.00 0.00 0.00 0.00 44.72 45.80 3gkf s GLY 249 CO 0.75 0.25 -0.13 -1.34 0.00 0.00 0.00 173.10 172.63 3gkf s VAL 250 N -2.63 1.02 -0.27 1.40 -7.23 -1.01 -2.11 120.40 109.57 3gkf s VAL 250 Ca 0.11 -0.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 3gkf s VAL 250 Cb 0.01 -0.90 0.06 0.00 0.56 0.00 0.00 36.38 36.11 3gkf s VAL 250 CO -0.04 0.07 -0.10 -0.62 -0.31 0.00 0.00 175.10 174.11 3gkf s ASP 251 N -0.86 4.49 -0.51 4.85 2.15 0.41 -1.92 116.67 125.28 3gkf s ASP 251 Ca 0.02 -1.42 -0.18 0.00 0.43 0.00 0.00 52.55 51.40 3gkf s ASP 251 Cb -0.07 -1.57 0.06 0.00 -0.30 0.00 0.00 42.92 41.05 3gkf s ASP 251 CO 0.01 -0.20 0.59 -0.04 -0.17 0.00 0.00 175.17 175.35 3gkf s MET 252 N 1.10 3.09 0.00 4.34 -1.94 -1.25 0.36 119.30 125.01 3gkf s MET 252 Ca -0.08 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.90 3gkf s MET 252 Cb -0.20 -4.12 0.00 0.00 2.01 0.00 0.00 34.83 32.52 3gkf s MET 252 CO -0.05 -1.21 0.00 0.41 -0.01 0.00 0.00 175.02 174.16 3gkf n GLY 253 N 5.18 1.66 0.31 -0.03 0.00 -1.26 -3.93 105.19 107.12 3gkf n GLY 253 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 3gkf n GLY 253 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gkf h ARG 254 N 0.00 0.50 0.00 1.61 -0.00 -1.89 0.50 114.38 115.10 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 -0.00 7.04 3.02 -1.26 -1.19 115.26 117.92 3gkf n ASN 255 Ca 0.20 0.43 -0.02 0.00 -0.03 0.00 0.00 54.58 55.16 3gkf n ASN 255 Cb 0.55 -0.44 -0.01 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.44 0.75 0.31 2.41 5.41 0.17 -4.34 119.36 122.63 3gkf n ILE 256 Ca 0.00 0.26 0.19 0.00 1.00 0.00 0.00 62.75 64.20 3gkf n ILE 256 Cb 0.01 -1.59 1.00 0.00 -0.71 0.00 0.00 39.64 38.35 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 -0.23 0.00 0.00 1.39 -5.15 -1.40 -1.39 116.94 110.17 3gkf h PHE 257 Ca 0.00 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.66 3gkf h PHE 257 Cb 0.23 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.38 3gkf h PHE 257 CO -0.10 0.02 -1.12 1.96 -2.00 0.00 0.00 178.31 177.07 3gkf h GLN 258 N 0.00 0.00 -6.95 6.09 4.20 -1.37 -3.47 115.11 113.61 3gkf h GLN 258 Ca -0.00 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.15 3gkf h GLN 258 Cb 0.13 0.00 0.15 0.00 0.30 0.00 0.00 27.48 28.07 3gkf h GLN 258 CO 0.00 0.22 0.35 0.45 -0.67 0.00 0.00 178.83 179.19 3gkf n SER 259 N -2.88 1.64 0.25 1.46 2.88 -0.52 -4.87 113.62 111.57 3gkf n SER 259 Ca -0.05 0.87 0.13 0.00 -1.33 0.00 0.00 58.87 58.49 3gkf n SER 259 Cb 0.73 -1.48 0.56 0.00 -0.75 0.00 0.00 64.21 63.28 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 0.79 0.00 -2.17 -3.46 3.32 -1.91 -3.30 116.42 109.68 3gkf h ASP 260 Ca -0.49 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.97 3gkf h ASP 260 Cb 1.34 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.48 3gkf h ASP 260 CO 0.53 0.13 -0.76 1.41 -1.72 0.00 0.00 179.24 178.84 3gkf n HIS 261 N -3.29 2.33 0.15 4.55 8.25 -1.26 -4.99 115.22 120.95 3gkf n HIS 261 Ca 0.00 -3.97 -0.15 0.00 -0.26 0.00 0.00 57.72 53.34 3gkf n HIS 261 Cb 0.37 -0.48 -0.08 0.00 1.12 0.00 0.00 29.99 30.91 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 4.19 -0.71 -0.78 -0.41 0.11 -1.77 -2.05 132.00 130.59 3gkf h PRO 262 Ca 0.16 0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.38 3gkf h PRO 262 Cb 0.74 0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 3gkf h PRO 262 CO 0.71 -0.47 0.47 0.28 -0.21 0.00 0.00 178.00 178.78 3gkf h VAL 263 N -0.73 1.02 -0.48 3.15 2.07 -1.94 0.41 116.25 119.75 3gkf h VAL 263 Ca 0.00 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.28 3gkf h VAL 263 Cb 0.73 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 3gkf h VAL 263 CO -0.22 0.16 0.22 0.00 0.02 0.00 0.00 177.57 177.74 3gkf h ALA 264 N 1.37 0.61 -0.26 1.67 0.00 -1.80 -1.93 119.26 118.92 3gkf h ALA 264 Ca 0.34 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.34 3gkf h ALA 264 Cb 0.16 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 3gkf h ALA 264 CO -0.17 -0.15 -0.05 1.98 0.00 0.00 0.00 179.25 180.86 3gkf h MET 265 N 0.43 0.02 -0.52 0.00 -1.53 -0.25 -1.41 114.93 111.67 3gkf h MET 265 Ca 0.22 -0.00 0.05 0.00 -3.44 0.00 0.00 59.70 56.52 3gkf h MET 265 Cb 0.17 -0.00 -0.05 0.00 -0.55 0.00 0.00 31.60 31.17 3gkf h MET 265 CO -0.18 0.01 0.26 0.52 0.14 0.00 0.00 176.91 177.66 3gkf h MET 266 N 0.02 0.50 -0.30 0.39 2.86 -0.69 0.29 114.93 117.99 3gkf h MET 266 Ca 0.12 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3gkf h MET 266 Cb 0.18 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3gkf h MET 266 CO -0.25 0.33 0.11 0.87 1.06 0.00 0.00 176.91 179.03 3gkf h LYS 267 N 0.51 0.42 0.14 1.72 1.57 -1.02 0.74 116.57 120.66 3gkf h LYS 267 Ca 0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3gkf h LYS 267 Cb 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3gkf h LYS 267 CO -0.16 0.37 -0.07 0.00 -0.57 0.00 0.00 179.45 179.01 3gkf h ALA 268 N 1.70 -0.19 -0.58 3.86 0.00 0.36 -1.85 119.26 122.57 3gkf h ALA 268 Ca 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3gkf h ALA 268 Cb 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3gkf h ALA 268 CO -0.01 -0.61 0.11 0.28 0.00 0.00 0.00 179.25 179.02 3gkf h VAL 269 N -0.19 1.25 -0.55 0.00 2.07 0.16 -1.78 116.25 117.21 3gkf h VAL 269 Ca -0.02 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.64 3gkf h VAL 269 Cb 0.15 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3gkf h VAL 269 CO 0.03 0.35 0.15 1.56 0.02 0.00 0.00 177.57 179.67 3gkf h GLN 270 N 0.85 0.29 0.20 1.57 4.20 0.48 -0.03 115.11 122.66 3gkf h GLN 270 Ca 0.18 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3gkf h GLN 270 Cb 0.40 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 3gkf h GLN 270 CO 0.01 0.19 -0.13 0.00 -0.67 0.00 0.00 178.83 178.23 3gkf h ALA 271 N 1.41 -0.31 -0.29 3.87 0.00 -0.60 0.45 119.26 123.79 3gkf h ALA 271 Ca 0.28 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gkf h ALA 271 Cb 0.37 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3gkf h ALA 271 CO -0.33 -0.68 0.18 0.28 0.00 0.00 0.00 179.25 178.70 3gkf h VAL 272 N -0.33 1.05 0.36 0.00 2.07 -0.85 0.64 116.25 119.20 3gkf h VAL 272 Ca -0.02 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3gkf h VAL 272 Cb 0.28 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3gkf h VAL 272 CO 0.01 0.07 -0.17 0.58 0.02 0.00 0.00 177.57 178.08 3gkf h VAL 273 N 0.37 0.00 0.15 2.57 2.07 -0.72 -3.01 116.25 117.67 3gkf h VAL 273 Ca 0.11 -0.34 -0.31 0.00 0.82 0.00 0.00 66.70 66.98 3gkf h VAL 273 Cb -0.02 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.75 3gkf h VAL 273 CO -0.04 0.00 -1.47 0.45 0.02 0.00 0.00 177.57 176.52 3gkf h HIS 274 N -0.83 0.56 -0.01 1.57 -0.00 -1.01 -3.38 115.15 112.06 3gkf h HIS 274 Ca -0.05 -0.41 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3gkf h HIS 274 Cb 0.37 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.76 3gkf h HIS 274 CO 0.04 1.41 -0.51 0.72 -0.00 0.00 0.00 177.93 179.59 3gkf n HIS 275 N -3.52 0.00 -0.93 2.45 8.25 -0.51 -4.98 115.22 115.98 3gkf n HIS 275 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3gkf n HIS 275 Cb 1.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.16 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 -0.46 -0.89 -4.58 0.41 3.02 0.10 -4.96 115.26 107.90 3gkf n ASN 276 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.22 3gkf n ASN 276 Cb 0.35 -0.15 0.03 0.00 -0.61 0.00 0.00 39.78 39.40 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 -2.30 1.02 -1.92 3.52 -0.58 -1.03 -4.93 120.64 114.43 3gkf n GLU 277 Ca 0.00 0.38 -0.32 0.00 -0.42 0.00 0.00 57.16 56.80 3gkf n GLU 277 Cb 0.00 -1.99 0.01 0.00 -0.57 0.00 0.00 31.44 28.89 3gkf n GLU 277 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3gkf s THR 278 N -1.44 4.24 0.20 2.62 -4.23 -1.26 -4.44 115.64 111.34 3gkf s THR 278 Ca 0.68 0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 61.93 3gkf s THR 278 Cb -0.50 -3.57 0.18 0.00 1.34 0.00 0.00 72.50 69.95 3gkf s THR 278 CO 0.53 -0.81 1.66 0.00 -0.54 0.00 0.00 174.62 175.46 3gkf h ALA 279 N -0.02 0.50 0.45 3.99 0.00 -1.92 -1.18 119.26 121.08 3gkf h ALA 279 Ca -0.45 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3gkf h ALA 279 Cb 1.20 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3gkf h ALA 279 CO 0.59 -0.41 -0.24 -0.44 0.00 0.00 0.00 179.25 178.75 3gkf h ASP 280 N 0.08 -0.59 -0.44 0.00 5.19 -1.97 0.20 116.42 118.89 3gkf h ASP 280 Ca 0.29 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.81 3gkf h ASP 280 Cb 0.46 0.16 -0.08 0.00 0.18 0.00 0.00 39.33 40.05 3gkf h ASP 280 CO -0.52 -0.40 -0.05 0.03 -3.12 0.00 0.00 179.24 175.18 3gkf h ARG 281 N -0.64 0.05 -0.11 3.56 3.08 -1.87 0.73 114.38 119.18 3gkf h ARG 281 Ca -0.06 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.03 3gkf h ARG 281 Cb 0.51 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 3gkf h ARG 281 CO 0.08 0.03 -0.42 0.00 -1.07 0.00 0.00 179.97 178.59 3gkf h ALA 282 N 1.42 -0.62 -0.80 0.04 0.00 -0.51 0.12 119.26 118.91 3gkf h ALA 282 Ca 0.22 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.25 3gkf h ALA 282 Cb 0.33 0.79 -0.09 0.00 0.00 0.00 0.00 17.79 18.81 3gkf h ALA 282 CO -0.41 -0.94 0.38 -0.92 0.00 0.00 0.00 179.25 177.36 3gkf h TYR 283 N -0.51 0.66 -0.10 0.00 -0.00 0.26 0.11 116.97 117.38 3gkf h TYR 283 Ca 0.07 0.03 0.01 0.00 -0.00 0.00 0.00 58.73 58.84 3gkf h TYR 283 Cb 0.63 -0.17 -0.01 0.00 -0.00 0.00 0.00 36.73 37.18 3gkf h TYR 283 CO -0.48 0.14 0.03 0.93 -0.00 0.00 0.00 178.16 178.78 3gkf h GLU 284 N 0.55 0.07 0.00 1.82 5.08 0.15 0.50 114.58 122.76 3gkf h GLU 284 Ca 0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3gkf h GLU 284 Cb 0.62 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3gkf h GLU 284 CO -0.37 0.05 0.00 1.37 -1.00 0.00 0.00 179.01 179.06 3gkf h LEU 285 N 0.08 0.00 0.40 1.33 -0.00 -0.65 0.60 115.31 117.06 3gkf h LEU 285 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.92 3gkf h LEU 285 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.66 3gkf h LEU 285 CO -0.05 0.00 -0.41 0.22 -0.00 0.00 0.00 178.44 178.20 3gkf h TYR 286 N 0.00 -1.12 -0.66 0.17 3.20 0.19 0.14 116.97 118.89 3gkf h TYR 286 Ca 0.00 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 3gkf h TYR 286 Cb 0.29 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 3gkf h TYR 286 CO 0.00 -0.56 0.14 -0.07 -1.64 0.00 0.00 178.16 176.02 3gkf h LEU 287 N -0.83 1.01 -0.47 2.82 3.38 -0.07 -2.63 115.31 118.52 3gkf h LEU 287 Ca -0.03 -0.22 0.10 0.00 0.09 0.00 0.00 57.88 57.81 3gkf h LEU 287 Cb 0.74 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 41.13 3gkf h LEU 287 CO -0.07 0.98 -0.18 -1.28 0.09 0.00 0.00 178.44 177.98 3gkf h SER 288 N 1.00 -0.64 0.95 -0.43 0.87 0.44 -2.75 113.55 112.99 3gkf h SER 288 Ca 0.21 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 3gkf h SER 288 Cb 0.39 0.37 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3gkf h SER 288 CO 0.01 -0.22 0.00 -0.62 -0.53 0.00 0.00 176.83 175.47 3gkf n GLU 289 N -5.38 0.10 0.00 2.24 -0.58 0.46 -5.06 120.64 112.41 3gkf n GLU 289 Ca 0.04 0.19 0.02 0.00 -0.42 0.00 0.00 57.16 56.99 3gkf n GLU 289 Cb 0.29 -1.64 0.13 0.00 -0.57 0.00 0.00 31.44 29.65 3gkf n GLU 289 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28