#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gjx n ALA 13 N 0.00 5.09 1.67 0.00 0.00 -1.26 -4.46 120.51 121.55 3gjx n ALA 13 Ca 0.00 -3.52 0.14 0.00 0.00 0.00 0.00 53.44 50.07 3gjx n ALA 13 Cb 0.00 -0.78 0.66 0.00 0.00 0.00 0.00 19.45 19.34 3gjx n ALA 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gjx n ARG 14 N -0.89 1.43 -2.41 0.00 5.12 -1.26 -4.90 116.66 113.74 3gjx n ARG 14 Ca 0.45 -0.62 -0.43 0.00 -1.93 0.00 0.00 57.85 55.32 3gjx n ARG 14 Cb 0.92 -1.48 -0.02 0.00 -1.16 0.00 0.00 32.46 30.71 3gjx n ARG 14 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3gjx s GLN 15 N -1.99 4.27 0.24 5.56 -0.21 -1.26 -5.03 119.66 121.23 3gjx s GLN 15 Ca 0.41 1.69 0.11 0.00 0.02 0.00 0.00 55.36 57.59 3gjx s GLN 15 Cb 0.21 -3.70 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 3gjx s GLN 15 CO 0.34 -0.63 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.20 3gjx s LEU 16 N 3.10 2.69 -0.28 2.90 1.43 -1.26 -5.10 118.68 122.17 3gjx s LEU 16 Ca 0.56 -0.86 -0.18 0.00 -1.03 0.00 0.00 54.13 52.63 3gjx s LEU 16 Cb -0.23 -1.30 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 3gjx s LEU 16 CO 0.18 0.07 0.51 -0.22 0.23 0.00 0.00 176.35 177.11 3gjx s LEU 17 N -3.18 4.09 0.00 1.79 2.96 -1.26 -4.94 118.68 118.14 3gjx s LEU 17 Ca 0.27 0.42 0.00 0.00 -0.22 0.00 0.00 54.13 54.59 3gjx s LEU 17 Cb -0.07 -2.63 0.00 0.00 0.50 0.00 0.00 46.19 43.99 3gjx s LEU 17 CO 0.14 -0.31 0.00 -0.90 -1.32 0.00 0.00 176.35 173.96 3gjx n ASP 18 N 5.57 0.00 -2.79 3.68 5.68 -1.26 -4.95 116.55 122.48 3gjx n ASP 18 Ca -0.04 0.00 -0.12 0.00 -0.50 0.00 0.00 54.79 54.12 3gjx n ASP 18 Cb 0.50 0.00 0.01 0.00 -1.14 0.00 0.00 41.12 40.49 3gjx n ASP 18 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 3gjx n PHE 19 N 0.00 1.03 1.29 2.11 7.35 -1.26 -4.83 117.46 123.14 3gjx n PHE 19 Ca 0.00 -3.07 0.00 0.00 -0.76 0.00 0.00 57.45 53.62 3gjx n PHE 19 Cb 0.00 -0.38 0.00 0.00 0.35 0.00 0.00 39.48 39.45 3gjx n PHE 19 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 3gjx n SER 20 N 0.01 0.46 -3.85 -2.13 7.64 -1.26 -4.83 113.62 109.65 3gjx n SER 20 Ca 0.14 -1.75 -0.25 0.00 1.01 0.00 0.00 58.87 58.02 3gjx n SER 20 Cb 0.77 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 3gjx n SER 20 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3gjx n GLN 21 N -0.20 -3.36 -1.85 1.43 7.27 -1.26 -4.89 117.38 114.52 3gjx n GLN 21 Ca 0.00 0.46 -0.29 0.00 0.07 0.00 0.00 57.00 57.24 3gjx n GLN 21 Cb 0.12 -4.61 0.12 0.00 2.41 0.00 0.00 30.24 28.28 3gjx n GLN 21 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3gjx s LYS 22 N -6.33 1.45 0.35 3.69 1.02 -1.26 -5.08 119.74 113.57 3gjx s LYS 22 Ca 0.07 -0.02 -0.01 0.00 0.02 0.00 0.00 55.97 56.03 3gjx s LYS 22 Cb -0.03 -1.90 0.07 0.00 -0.52 0.00 0.00 37.83 35.45 3gjx s LYS 22 CO 0.87 -1.93 0.48 1.47 -0.92 0.00 0.00 175.35 175.31 3gjx n LEU 23 N -3.52 0.00 0.00 3.17 -0.00 -1.26 -5.05 117.00 110.34 3gjx n LEU 23 Ca 0.10 -0.90 0.00 0.00 -0.00 0.00 0.00 56.01 55.21 3gjx n LEU 23 Cb 0.60 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 3gjx n LEU 23 CO 0.54 -0.76 -0.20 -0.90 -0.00 0.00 0.00 177.39 176.08 3gjx n ASP 24 N -3.03 1.95 -0.06 1.45 5.68 -1.26 -4.57 116.55 116.71 3gjx n ASP 24 Ca 0.07 -0.24 -0.08 0.00 -0.50 0.00 0.00 54.79 54.05 3gjx n ASP 24 Cb 0.27 0.87 0.09 0.00 -1.14 0.00 0.00 41.12 41.21 3gjx n ASP 24 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3gjx h ILE 25 N 0.00 1.28 0.82 2.12 5.03 -1.97 -0.52 117.51 124.27 3gjx h ILE 25 Ca 0.00 -1.41 -0.04 0.00 -0.12 0.00 0.00 64.86 63.29 3gjx h ILE 25 Cb 0.00 1.32 0.01 0.00 -3.03 0.00 0.00 36.82 35.12 3gjx h ILE 25 CO 0.00 0.46 -0.40 -1.13 -0.68 0.00 0.00 178.15 176.41 3gjx h ASN 26 N 0.61 -0.94 -0.73 1.72 -1.24 -2.00 -1.05 115.58 111.96 3gjx h ASN 26 Ca 0.08 0.02 0.16 0.00 0.71 0.00 0.00 56.30 57.27 3gjx h ASN 26 Cb 0.79 0.24 -0.12 0.00 0.73 0.00 0.00 38.32 39.96 3gjx h ASN 26 CO 0.07 -0.63 0.05 0.25 -1.29 0.00 0.00 177.43 175.88 3gjx h LEU 27 N -1.18 -0.24 -2.28 0.34 5.85 -1.80 0.64 115.31 116.64 3gjx h LEU 27 Ca -0.11 0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.82 3gjx h LEU 27 Cb 0.86 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 3gjx h LEU 27 CO 0.19 -0.13 0.15 0.25 -0.34 0.00 0.00 178.44 178.55 3gjx h LEU 28 N 0.15 0.00 0.10 2.25 5.85 -0.82 -1.70 115.31 121.13 3gjx h LEU 28 Ca 0.40 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.92 3gjx h LEU 28 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 3gjx h LEU 28 CO -0.60 0.00 -0.99 -0.78 -0.34 0.00 0.00 178.44 175.73 3gjx h ASP 29 N 0.00 0.32 -0.67 1.25 1.82 0.16 -3.16 116.42 116.15 3gjx h ASP 29 Ca 0.06 -0.88 0.00 0.00 -0.39 0.00 0.00 57.03 55.83 3gjx h ASP 29 Cb 0.36 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.23 3gjx h ASP 29 CO -0.00 1.44 0.42 0.78 -1.61 0.00 0.00 179.24 180.27 3gjx h ASN 30 N -0.49 0.78 -0.43 2.28 2.35 -1.05 -2.08 115.58 116.93 3gjx h ASN 30 Ca -0.21 -0.04 0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3gjx h ASN 30 Cb 1.57 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.72 3gjx h ASN 30 CO 0.06 0.59 0.30 0.58 -1.65 0.00 0.00 177.43 177.30 3gjx h VAL 31 N 0.90 0.92 -0.05 2.81 2.07 -1.43 0.14 116.25 121.62 3gjx h VAL 31 Ca 0.24 -0.10 -0.18 0.00 0.82 0.00 0.00 66.70 67.49 3gjx h VAL 31 Cb -0.07 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 3gjx h VAL 31 CO -0.05 0.05 -0.74 0.58 0.02 0.00 0.00 177.57 177.43 3gjx h VAL 32 N 0.28 1.41 -0.19 2.57 2.07 -1.35 -3.19 116.25 117.85 3gjx h VAL 32 Ca 0.20 -2.23 -0.20 0.00 0.82 0.00 0.00 66.70 65.28 3gjx h VAL 32 Cb 0.41 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 3gjx h VAL 32 CO -0.04 0.66 -0.68 0.78 0.02 0.00 0.00 177.57 178.32 3gjx h ASN 33 N 0.20 0.86 0.00 0.57 2.35 -0.56 -2.89 115.58 116.10 3gjx h ASN 33 Ca -0.03 -0.52 0.00 0.00 -0.55 0.00 0.00 56.30 55.20 3gjx h ASN 33 Cb 1.31 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.43 3gjx h ASN 33 CO 0.12 1.30 0.30 0.00 -1.65 0.00 0.00 177.43 177.50 3gjx n LEU 35 N -2.83 2.19 0.00 0.00 4.77 -1.10 -4.85 117.00 115.17 3gjx n LEU 35 Ca -0.02 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.15 3gjx n LEU 35 Cb 0.34 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3gjx n LEU 35 CO 0.13 0.54 0.00 -1.22 -1.33 0.00 0.00 177.39 175.51 3gjx n TYR 36 N -0.02 0.00 -2.69 -1.77 4.01 -0.35 -5.10 117.16 111.24 3gjx n TYR 36 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 3gjx n TYR 36 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 3gjx n TYR 36 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3gjx n HIS 37 N -0.60 -3.13 0.00 -0.72 8.25 -0.90 -5.08 115.22 113.04 3gjx n HIS 37 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 3gjx n HIS 37 Cb 0.00 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3gjx n HIS 37 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gjx n GLY 38 N 4.66 -0.13 0.08 -1.41 0.00 -1.26 -4.51 105.19 102.62 3gjx n GLY 38 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3gjx n GLY 38 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gjx h GLU 39 N 0.00 -0.05 0.00 1.61 4.57 -2.00 -3.13 114.58 115.59 3gjx h GLU 39 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gjx h GLU 39 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 3gjx h GLU 39 CO 0.00 0.58 0.17 0.78 -1.18 0.00 0.00 179.01 179.36 3gjx h GLY 40 N -0.77 0.00 2.00 1.92 0.00 -1.98 0.28 103.07 104.52 3gjx h GLY 40 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3gjx h GLY 40 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 3gjx h ALA 41 N 1.62 1.00 0.00 3.60 0.00 -1.77 -2.62 119.26 121.08 3gjx h ALA 41 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3gjx h ALA 41 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gjx h ALA 41 CO 0.00 0.00 -0.40 0.37 0.00 0.00 0.00 179.25 179.22 3gjx h GLN 42 N 0.00 0.00 0.03 0.00 -0.00 -0.47 -3.08 115.11 111.59 3gjx h GLN 42 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.44 3gjx h GLN 42 Cb 0.88 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.35 3gjx h GLN 42 CO 0.00 0.40 -0.97 0.37 0.00 0.00 0.00 178.83 178.63 3gjx h GLN 43 N 0.00 0.16 0.80 1.69 4.15 -1.40 -1.50 115.11 119.01 3gjx h GLN 43 Ca -0.00 -0.21 -0.04 0.00 0.77 0.00 0.00 58.65 59.17 3gjx h GLN 43 Cb 1.25 0.07 0.01 0.00 0.21 0.00 0.00 27.48 29.01 3gjx h GLN 43 CO 0.05 1.00 -0.38 0.00 -1.93 0.00 0.00 178.83 177.57 3gjx h ARG 44 N 0.07 -1.04 -0.34 1.69 2.47 -1.47 0.69 114.38 116.46 3gjx h ARG 44 Ca -0.05 0.07 0.05 0.00 -1.26 0.00 0.00 59.98 58.79 3gjx h ARG 44 Cb 1.64 0.24 -0.08 0.00 -1.65 0.00 0.00 29.97 30.12 3gjx h ARG 44 CO 0.14 -0.68 -0.52 1.98 0.56 0.00 0.00 179.97 181.46 3gjx h MET 45 N -1.15 -0.41 -0.86 0.04 4.05 -1.62 0.33 114.93 115.32 3gjx h MET 45 Ca -0.11 0.03 0.22 0.00 -0.28 0.00 0.00 59.70 59.56 3gjx h MET 45 Cb 0.84 0.09 -0.15 0.00 -0.80 0.00 0.00 31.60 31.58 3gjx h MET 45 CO 0.18 -0.27 0.09 0.00 0.23 0.00 0.00 176.91 177.13 3gjx h ALA 46 N 0.04 1.05 -0.39 0.39 0.00 -1.06 0.14 119.26 119.44 3gjx h ALA 46 Ca 0.08 0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 3gjx h ALA 46 Cb 0.61 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3gjx h ALA 46 CO -0.55 -0.48 0.01 0.37 0.00 0.00 0.00 179.25 178.60 3gjx h GLN 47 N 0.11 0.69 0.07 0.00 4.15 0.32 -0.32 115.11 120.12 3gjx h GLN 47 Ca 0.51 -0.21 -0.25 0.00 0.77 0.00 0.00 58.65 59.47 3gjx h GLN 47 Cb 0.99 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.62 3gjx h GLN 47 CO -0.74 0.77 -1.08 0.93 -1.93 0.00 0.00 178.83 176.78 3gjx h GLU 48 N 0.51 0.30 0.00 1.69 5.08 0.18 -1.12 114.58 121.23 3gjx h GLU 48 Ca 0.11 -0.41 -0.20 0.00 -1.00 0.00 0.00 59.36 57.87 3gjx h GLU 48 Cb 0.46 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3gjx h GLU 48 CO 0.02 1.14 -0.87 -0.24 -1.00 0.00 0.00 179.01 178.06 3gjx h VAL 49 N 0.13 1.49 -0.11 3.13 3.04 -0.91 -3.24 116.25 119.79 3gjx h VAL 49 Ca -0.10 -2.61 -0.13 0.00 -1.01 0.00 0.00 66.70 62.85 3gjx h VAL 49 Cb 1.77 2.45 -0.01 0.00 -2.01 0.00 0.00 31.29 33.49 3gjx h VAL 49 CO 0.18 0.76 -0.50 0.25 -1.01 0.00 0.00 177.57 177.25 3gjx h LEU 50 N 0.11 0.31 -1.70 3.16 5.85 -0.97 -3.13 115.31 118.93 3gjx h LEU 50 Ca -0.04 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 3gjx h LEU 50 Cb 1.49 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 3gjx h LEU 50 CO 0.13 0.76 -0.18 0.74 -0.34 0.00 0.00 178.44 179.55 3gjx h THR 51 N 0.23 0.87 0.00 1.05 2.02 -1.23 -3.23 112.91 112.62 3gjx h THR 51 Ca 0.01 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3gjx h THR 51 Cb 0.97 1.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 3gjx h THR 51 CO 0.08 0.18 0.00 1.57 0.37 0.00 0.00 175.52 177.72 3gjx n HIS 52 N -3.94 0.00 0.00 3.16 -0.00 -1.18 -4.12 115.22 109.14 3gjx n HIS 52 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 3gjx n HIS 52 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.26 3gjx n HIS 52 CO 0.00 0.00 0.00 1.47 -0.00 0.00 0.00 176.34 177.81 3gjx n LEU 53 N -0.51 0.93 0.00 0.27 -0.00 -1.22 -4.55 117.00 111.92 3gjx n LEU 53 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 3gjx n LEU 53 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 3gjx n LEU 53 CO 0.00 -0.07 0.23 1.17 -0.00 0.00 0.00 177.39 178.72 3gjx n LYS 54 N -0.72 0.00 0.00 1.47 4.81 -1.26 -4.99 118.16 117.47 3gjx n LYS 54 Ca 0.00 0.36 0.00 0.00 -0.87 0.00 0.00 58.31 57.80 3gjx n LYS 54 Cb 0.00 -0.96 0.00 0.00 0.02 0.00 0.00 35.03 34.09 3gjx n LYS 54 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3gjx n GLU 55 N -0.82 0.00 -3.74 1.64 2.13 -1.26 -5.12 120.64 113.46 3gjx n GLU 55 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 3gjx n GLU 55 Cb 0.00 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 31.57 3gjx n GLU 55 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 3gjx s HIS 56 N -1.66 2.08 -0.36 4.31 -3.43 -1.26 -4.85 115.29 110.11 3gjx s HIS 56 Ca 0.00 -2.34 0.15 0.00 -0.80 0.00 0.00 55.06 52.07 3gjx s HIS 56 Cb 0.00 -1.95 0.76 0.00 -1.43 0.00 0.00 32.58 29.96 3gjx s HIS 56 CO 0.00 -0.81 1.68 -2.30 -2.00 0.00 0.00 174.74 171.31 3gjx n PRO 57 N 3.87 4.43 -0.00 -0.38 -0.02 -1.26 -4.50 135.00 137.13 3gjx n PRO 57 Ca 0.06 -3.07 0.00 0.00 -2.02 0.00 0.00 63.50 58.47 3gjx n PRO 57 Cb 0.36 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3gjx n PRO 57 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3gjx n ASP 58 N 0.51 4.39 -0.31 2.55 8.00 -1.26 -4.72 116.55 125.71 3gjx n ASP 58 Ca 0.26 -0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.59 3gjx n ASP 58 Cb 1.10 1.00 -0.10 0.00 -0.02 0.00 0.00 41.12 43.11 3gjx n ASP 58 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gjx h ALA 59 N 0.01 -0.63 -0.01 2.24 0.00 -1.91 0.14 119.26 119.10 3gjx h ALA 59 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3gjx h ALA 59 Cb 0.00 1.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3gjx h ALA 59 CO 0.00 -0.98 -0.22 -1.49 0.00 0.00 0.00 179.25 176.56 3gjx h TRP 60 N -0.15 -0.58 -0.81 0.00 6.55 -1.93 -2.40 115.95 116.64 3gjx h TRP 60 Ca 0.12 0.02 0.10 0.00 0.95 0.00 0.00 58.89 60.09 3gjx h TRP 60 Cb 0.47 0.26 -0.12 0.00 -0.86 0.00 0.00 29.16 28.90 3gjx h TRP 60 CO -0.91 -0.30 -0.48 1.15 -1.05 0.00 0.00 178.44 176.84 3gjx h THR 61 N -0.34 0.03 0.19 1.49 2.02 -1.09 0.15 112.91 115.36 3gjx h THR 61 Ca 0.06 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 3gjx h THR 61 Cb 0.42 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3gjx h THR 61 CO -0.21 0.00 -0.09 0.08 0.37 0.00 0.00 175.52 175.67 3gjx h ARG 62 N -0.11 -0.25 -1.13 6.66 0.11 -0.82 -2.96 114.38 115.88 3gjx h ARG 62 Ca 0.21 0.02 0.33 0.00 0.10 0.00 0.00 59.98 60.64 3gjx h ARG 62 Cb 0.53 0.06 -0.12 0.00 1.11 0.00 0.00 29.97 31.55 3gjx h ARG 62 CO -0.84 -0.17 0.71 0.28 0.10 0.00 0.00 179.97 180.05 3gjx h VAL 63 N -0.34 0.34 0.00 0.08 2.07 -1.37 1.27 116.25 118.31 3gjx h VAL 63 Ca -0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3gjx h VAL 63 Cb 0.20 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3gjx h VAL 63 CO 0.04 0.05 0.00 0.47 0.02 0.00 0.00 177.57 178.15 3gjx n ASP 64 N -4.74 0.00 -3.64 0.57 8.00 0.50 -4.56 116.55 112.68 3gjx n ASP 64 Ca 0.31 -0.29 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 3gjx n ASP 64 Cb 1.09 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 41.89 3gjx n ASP 64 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gjx s THR 65 N -2.32 -0.36 0.00 -3.53 -4.23 0.44 -5.04 115.64 100.59 3gjx s THR 65 Ca 0.25 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3gjx s THR 65 Cb 0.14 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.56 3gjx s THR 65 CO 0.28 0.09 0.00 2.30 -0.54 0.00 0.00 174.62 176.75 3gjx n ILE 66 N 5.34 0.00 -0.78 2.99 -5.35 -1.26 -4.74 119.36 115.56 3gjx n ILE 66 Ca -0.06 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.16 3gjx n ILE 66 Cb 0.50 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 38.39 3gjx n ILE 66 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gjx n SER 70 N -0.25 -1.18 -0.44 7.28 3.41 -1.26 -4.66 113.62 116.52 3gjx n SER 70 Ca 0.00 0.57 -0.03 0.00 -0.26 0.00 0.00 58.87 59.14 3gjx n SER 70 Cb 0.00 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 63.42 3gjx n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gjx n GLN 71 N 0.68 -0.35 -0.11 4.33 3.00 -1.26 -4.95 117.38 118.72 3gjx n GLN 71 Ca 0.09 0.17 -0.18 0.00 -0.01 0.00 0.00 57.00 57.07 3gjx n GLN 71 Cb 0.19 -3.81 -0.06 0.00 0.00 0.00 0.00 30.24 26.56 3gjx n GLN 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3gjx n ASN 72 N 1.30 1.92 -0.26 1.08 3.02 -1.26 -4.22 115.26 116.84 3gjx n ASN 72 Ca -0.04 0.33 0.04 0.00 -0.03 0.00 0.00 54.58 54.88 3gjx n ASN 72 Cb 0.53 -0.76 0.17 0.00 -0.61 0.00 0.00 39.78 39.11 3gjx n ASN 72 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 3gjx h MET 73 N -0.98 0.51 -0.65 3.52 4.05 -1.92 0.43 114.93 119.89 3gjx h MET 73 Ca -0.30 -0.03 0.15 0.00 -0.28 0.00 0.00 59.70 59.25 3gjx h MET 73 Cb 1.25 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 31.90 3gjx h MET 73 CO -0.18 0.34 0.45 -0.91 0.23 0.00 0.00 176.91 176.84 3gjx h ASN 74 N 0.53 0.18 0.16 1.39 4.21 -1.97 0.87 115.58 120.95 3gjx h ASN 74 Ca 0.40 0.01 -0.35 0.00 1.21 0.00 0.00 56.30 57.57 3gjx h ASN 74 Cb 0.53 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.71 3gjx h ASN 74 CO -0.35 0.09 -1.80 0.74 -1.29 0.00 0.00 177.43 174.83 3gjx h THR 75 N 0.19 0.85 -0.63 2.81 2.02 -0.55 -2.69 112.91 114.91 3gjx h THR 75 Ca 0.31 -2.45 -0.04 0.00 0.77 0.00 0.00 66.41 65.00 3gjx h THR 75 Cb 0.96 2.68 -0.03 0.00 -1.74 0.00 0.00 68.15 70.02 3gjx h THR 75 CO -0.06 0.86 0.22 0.11 0.37 0.00 0.00 175.52 177.02 3gjx h LYS 76 N 0.05 0.96 -0.16 6.66 1.57 0.28 0.51 116.57 126.45 3gjx h LYS 76 Ca -0.37 -0.19 0.05 0.00 -1.87 0.00 0.00 60.65 58.27 3gjx h LYS 76 Cb 2.05 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 34.14 3gjx h LYS 76 CO 0.14 0.83 -0.34 -0.92 -0.57 0.00 0.00 179.45 178.60 3gjx h TYR 77 N 0.89 -0.93 -0.62 -1.35 3.20 0.66 0.53 116.97 119.36 3gjx h TYR 77 Ca 0.21 0.04 0.13 0.00 3.14 0.00 0.00 58.73 62.24 3gjx h TYR 77 Cb 0.26 0.43 -0.10 0.00 1.54 0.00 0.00 36.73 38.86 3gjx h TYR 77 CO 0.02 -0.41 0.05 -0.92 -1.64 0.00 0.00 178.16 175.26 3gjx h TYR 78 N -0.40 0.06 -0.93 -3.82 3.20 -1.10 0.16 116.97 114.14 3gjx h TYR 78 Ca 0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3gjx h TYR 78 Cb 0.56 0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 3gjx h TYR 78 CO -0.43 -0.12 0.59 0.78 -1.64 0.00 0.00 178.16 177.35 3gjx h GLY 79 N 0.17 1.33 1.49 1.82 0.00 0.17 -0.56 103.07 107.48 3gjx h GLY 79 Ca 0.33 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 3gjx h GLY 79 CO -0.48 0.51 0.22 1.41 0.00 0.00 0.00 176.54 178.20 3gjx h LEU 80 N 1.28 0.60 -0.22 3.11 4.07 0.16 -2.07 115.31 122.24 3gjx h LEU 80 Ca 0.34 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 58.23 3gjx h LEU 80 Cb -0.10 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.47 3gjx h LEU 80 CO -0.07 0.53 0.11 -0.61 -1.08 0.00 0.00 178.44 177.31 3gjx h GLN 81 N 0.67 0.32 -0.80 1.13 4.15 0.75 -1.28 115.11 120.05 3gjx h GLN 81 Ca 0.17 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.60 3gjx h GLN 81 Cb 0.09 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.67 3gjx h GLN 81 CO -0.02 0.33 0.48 0.82 -1.93 0.00 0.00 178.83 178.51 3gjx h ILE 82 N 0.22 1.01 -0.29 2.39 1.08 -0.70 -2.23 117.51 118.99 3gjx h ILE 82 Ca 0.08 -0.30 -0.08 0.00 -0.39 0.00 0.00 64.86 64.16 3gjx h ILE 82 Cb 0.12 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 3gjx h ILE 82 CO -0.01 0.16 -0.17 0.25 -0.69 0.00 0.00 178.15 177.69 3gjx h LEU 83 N 0.87 0.51 -0.54 1.44 5.85 -1.05 -3.08 115.31 119.32 3gjx h LEU 83 Ca 0.35 -0.15 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3gjx h LEU 83 Cb 0.19 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 3gjx h LEU 83 CO -0.18 0.70 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.46 3gjx h GLU 84 N 0.48 1.00 -0.61 1.25 4.81 -0.62 -1.91 114.58 118.97 3gjx h GLU 84 Ca 0.08 -0.36 0.09 0.00 -0.13 0.00 0.00 59.36 59.04 3gjx h GLU 84 Cb 0.57 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.81 3gjx h GLU 84 CO 0.04 1.04 0.24 -0.97 -0.73 0.00 0.00 179.01 178.63 3gjx h ASN 85 N 0.88 0.25 0.45 1.04 -0.73 -1.44 -1.66 115.58 114.38 3gjx h ASN 85 Ca 0.14 0.07 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 3gjx h ASN 85 Cb 0.64 0.05 -0.02 0.00 0.27 0.00 0.00 38.32 39.26 3gjx h ASN 85 CO 0.04 0.15 -0.37 0.58 -0.37 0.00 0.00 177.43 177.47 3gjx h VAL 86 N 0.43 0.25 -0.64 2.57 2.07 -1.34 -1.96 116.25 117.64 3gjx h VAL 86 Ca 0.31 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.87 3gjx h VAL 86 Cb 0.37 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 3gjx h VAL 86 CO -0.30 0.00 0.42 0.40 0.02 0.00 0.00 177.57 178.11 3gjx h ILE 87 N -0.81 1.07 0.00 4.57 2.04 -1.15 0.39 117.51 123.62 3gjx h ILE 87 Ca -0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3gjx h ILE 87 Cb 0.70 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3gjx h ILE 87 CO -0.01 0.13 -0.33 0.29 0.00 0.00 0.00 178.15 178.23 3gjx n LYS 88 N -4.46 0.11 0.00 2.37 5.02 -0.64 -3.61 118.16 116.95 3gjx n LYS 88 Ca 0.08 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 3gjx n LYS 88 Cb 0.15 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.57 3gjx n LYS 88 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3gjx n THR 89 N -1.75 0.00 0.55 -0.18 -2.24 -0.75 -4.75 114.28 105.15 3gjx n THR 89 Ca 0.05 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 3gjx n THR 89 Cb 0.37 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 67.89 3gjx n THR 89 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gjx n ARG 90 N -2.09 2.46 -0.29 -0.78 5.12 0.13 -1.89 116.66 119.31 3gjx n ARG 90 Ca 0.00 -0.01 0.07 0.00 -1.93 0.00 0.00 57.85 55.98 3gjx n ARG 90 Cb 0.43 -1.14 0.18 0.00 -1.16 0.00 0.00 32.46 30.77 3gjx n ARG 90 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 3gjx h TRP 91 N 0.00 -0.17 -0.08 -1.55 2.91 -1.58 -0.30 115.95 115.18 3gjx h TRP 91 Ca 0.00 0.07 -0.09 0.00 1.13 0.00 0.00 58.89 59.99 3gjx h TRP 91 Cb 0.34 0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.19 3gjx h TRP 91 CO 0.00 -0.33 -0.38 0.87 -1.03 0.00 0.00 178.44 177.57 3gjx h LYS 92 N 0.05 0.17 -0.54 2.65 1.79 -1.83 -2.57 116.57 116.29 3gjx h LYS 92 Ca 0.46 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3gjx h LYS 92 Cb 0.82 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3gjx h LYS 92 CO -0.80 0.53 0.00 0.44 -1.08 0.00 0.00 179.45 178.54 3gjx n ILE 93 N -4.06 0.71 -2.84 1.86 -5.35 -0.22 -4.78 119.36 104.68 3gjx n ILE 93 Ca -0.01 -0.82 -0.40 0.00 -0.27 0.00 0.00 62.75 61.25 3gjx n ILE 93 Cb 0.44 0.67 -0.06 0.00 -1.74 0.00 0.00 39.64 38.96 3gjx n ILE 93 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3gjx s LEU 94 N -1.24 4.58 0.23 7.28 1.43 -0.62 -5.01 118.68 125.34 3gjx s LEU 94 Ca 0.42 1.77 -0.31 0.00 -1.03 0.00 0.00 54.13 54.98 3gjx s LEU 94 Cb 0.23 -3.47 -0.14 0.00 0.03 0.00 0.00 46.19 42.84 3gjx s LEU 94 CO 0.31 0.11 1.24 -0.81 0.23 0.00 0.00 176.35 177.44 3gjx n PRO 95 N 1.93 1.62 -0.24 1.29 -0.04 -1.26 -4.75 135.00 133.55 3gjx n PRO 95 Ca -0.02 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.06 3gjx n PRO 95 Cb 0.48 -2.12 0.17 0.00 -0.04 0.00 0.00 33.50 31.99 3gjx n PRO 95 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3gjx h ARG 96 N 3.41 0.27 0.00 0.54 9.65 -1.95 0.27 114.38 126.57 3gjx h ARG 96 Ca -0.43 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 3gjx h ARG 96 Cb 1.31 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.83 3gjx h ARG 96 CO 0.70 0.18 -0.04 -2.95 2.80 0.00 0.00 179.97 180.66 3gjx h ASN 97 N 0.28 0.00 0.38 -3.80 7.08 -2.00 -1.63 115.58 115.89 3gjx h ASN 97 Ca 0.40 0.00 -0.32 0.00 -3.08 0.00 0.00 56.30 53.30 3gjx h ASN 97 Cb 0.65 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.92 3gjx h ASN 97 CO -0.48 0.04 -1.46 -0.61 -2.08 0.00 0.00 177.43 172.84 3gjx h GLN 98 N 0.00 0.42 0.84 4.14 5.75 -0.84 -2.60 115.11 122.81 3gjx h GLN 98 Ca -0.00 -0.71 -0.04 0.00 -0.15 0.00 0.00 58.65 57.75 3gjx h GLN 98 Cb 0.15 0.26 0.00 0.00 1.07 0.00 0.00 27.48 28.96 3gjx h GLN 98 CO 0.01 1.33 -0.45 0.00 -2.65 0.00 0.00 178.83 177.06 3gjx h GLU 100 N -1.19 -0.07 -0.20 0.00 4.39 -1.45 0.77 114.58 116.82 3gjx h GLU 100 Ca -0.11 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.64 3gjx h GLU 100 Cb 0.93 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.54 3gjx h GLU 100 CO 0.16 -0.05 -0.16 0.78 -1.16 0.00 0.00 179.01 178.57 3gjx h GLY 101 N -0.07 -0.04 1.00 -3.84 0.00 -1.34 0.41 103.07 99.19 3gjx h GLY 101 Ca 0.28 0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.79 3gjx h GLY 101 CO -0.67 -0.16 0.32 -2.22 0.00 0.00 0.00 176.54 173.80 3gjx h ILE 102 N -0.17 1.22 -0.75 2.60 2.04 -0.44 0.24 117.51 122.25 3gjx h ILE 102 Ca 0.12 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.44 3gjx h ILE 102 Cb 0.35 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 3gjx h ILE 102 CO -0.31 0.25 0.42 0.50 0.00 0.00 0.00 178.15 179.02 3gjx h LYS 103 N 0.89 0.73 0.01 2.37 3.64 0.18 0.11 116.57 124.51 3gjx h LYS 103 Ca 0.22 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.32 3gjx h LYS 103 Cb 0.11 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3gjx h LYS 103 CO -0.03 0.48 -1.19 0.87 -2.27 0.00 0.00 179.45 177.31 3gjx h LYS 104 N 0.75 0.03 -0.66 1.90 1.79 -0.02 -3.06 116.57 117.30 3gjx h LYS 104 Ca 0.35 -0.05 -0.06 0.00 -2.18 0.00 0.00 60.65 58.70 3gjx h LYS 104 Cb 0.26 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 3gjx h LYS 104 CO -0.21 0.92 0.17 -0.92 -1.08 0.00 0.00 179.45 178.32 3gjx h TYR 105 N 0.01 1.09 -0.08 -1.35 3.20 0.09 -1.29 116.97 118.63 3gjx h TYR 105 Ca -0.09 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.64 3gjx h TYR 105 Cb 1.85 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.80 3gjx h TYR 105 CO 0.01 0.90 -0.00 0.28 -1.64 0.00 0.00 178.16 177.70 3gjx h VAL 106 N 0.97 1.26 -0.77 1.81 2.07 -0.87 -1.16 116.25 119.56 3gjx h VAL 106 Ca 0.21 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3gjx h VAL 106 Cb 0.35 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 3gjx h VAL 106 CO 0.00 0.23 0.50 -0.37 0.02 0.00 0.00 177.57 177.95 3gjx h VAL 107 N -0.14 1.16 -0.04 2.57 -1.51 -1.48 -1.51 116.25 115.30 3gjx h VAL 107 Ca 0.02 -0.35 0.02 0.00 -1.23 0.00 0.00 66.70 65.16 3gjx h VAL 107 Cb 0.36 0.07 -0.02 0.00 -2.13 0.00 0.00 31.29 29.57 3gjx h VAL 107 CO 0.00 0.18 -0.05 1.23 -1.23 0.00 0.00 177.57 177.71 3gjx h GLY 108 N 1.01 -0.01 0.19 5.19 0.00 -1.19 -1.54 103.07 106.72 3gjx h GLY 108 Ca 0.29 0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.83 3gjx h GLY 108 CO -0.08 -0.06 0.45 1.41 0.00 0.00 0.00 176.54 178.26 3gjx h LEU 109 N -0.06 0.54 0.43 3.11 3.38 -0.65 -2.29 115.31 119.78 3gjx h LEU 109 Ca 0.04 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 3gjx h LEU 109 Cb 0.11 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3gjx h LEU 109 CO -0.08 0.22 -0.21 0.40 0.09 0.00 0.00 178.44 178.86 3gjx h ILE 110 N 0.63 0.56 -0.46 1.22 1.08 -0.98 -2.65 117.51 116.91 3gjx h ILE 110 Ca 0.48 -0.27 0.04 0.00 -0.39 0.00 0.00 64.86 64.72 3gjx h ILE 110 Cb 0.69 0.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.07 3gjx h ILE 110 CO -0.37 0.05 -0.30 0.40 -0.69 0.00 0.00 178.15 177.24 3gjx h ILE 111 N -0.74 0.00 -0.52 -0.67 1.08 -0.72 -1.36 117.51 114.58 3gjx h ILE 111 Ca -0.06 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.32 3gjx h ILE 111 Cb 0.52 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 3gjx h ILE 111 CO 0.10 0.00 -0.06 0.07 -0.69 0.00 0.00 178.15 177.57 3gjx h LYS 112 N -0.04 0.93 -0.52 2.37 2.10 -1.56 -1.44 116.57 118.41 3gjx h LYS 112 Ca 0.07 -0.30 -0.06 0.00 -2.00 0.00 0.00 60.65 58.36 3gjx h LYS 112 Cb 0.23 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.46 3gjx h LYS 112 CO -0.45 0.95 0.07 1.79 -2.00 0.00 0.00 179.45 179.81 3gjx h THR 113 N 0.84 1.25 0.00 0.07 1.35 -1.08 -2.80 112.91 112.55 3gjx h THR 113 Ca 0.15 -0.97 -0.17 0.00 -0.55 0.00 0.00 66.41 64.87 3gjx h THR 113 Cb 0.58 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 67.84 3gjx h THR 113 CO 0.03 0.35 -0.83 0.28 -0.25 0.00 0.00 175.52 175.10 3gjx h SER 114 N 0.75 0.00 0.00 5.36 0.02 -1.22 -3.25 113.55 115.21 3gjx h SER 114 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3gjx h SER 114 Cb 0.42 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.96 3gjx h SER 114 CO 0.01 0.83 0.00 -1.20 -1.14 0.00 0.00 176.83 175.33 3gjx n SER 115 N -3.51 1.84 -3.93 3.07 7.64 -0.55 -4.63 113.62 113.56 3gjx n SER 115 Ca -0.00 -1.45 -0.27 0.00 1.01 0.00 0.00 58.87 58.16 3gjx n SER 115 Cb 0.80 -0.36 -0.17 0.00 -1.01 0.00 0.00 64.21 63.47 3gjx n SER 115 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gjx s ASP 116 N 0.71 2.24 0.65 6.43 3.68 -1.23 -5.00 116.67 124.15 3gjx s ASP 116 Ca 0.00 -0.33 0.43 0.00 2.13 0.00 0.00 52.55 54.79 3gjx s ASP 116 Cb 0.00 -0.89 2.37 0.00 -1.45 0.00 0.00 42.92 42.94 3gjx s ASP 116 CO 0.00 -0.10 2.33 -0.65 0.13 0.00 0.00 175.17 176.88 3gjx h PRO 117 N 8.10 0.00 -0.38 4.34 0.11 -1.91 0.19 132.00 142.45 3gjx h PRO 117 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gjx h PRO 117 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gjx h PRO 117 CO 0.43 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.47 3gjx n THR 118 N -3.03 0.50 0.36 -1.15 -2.24 -1.26 -3.82 114.28 103.64 3gjx n THR 118 Ca -0.03 -0.52 0.10 0.00 -2.27 0.00 0.00 64.05 61.33 3gjx n THR 118 Cb 0.07 0.30 0.45 0.00 -2.10 0.00 0.00 70.33 69.05 3gjx n THR 118 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gjx h VAL 120 N 0.00 0.95 0.00 0.00 -1.51 -1.78 -3.13 116.25 110.78 3gjx h VAL 120 Ca 0.00 -1.19 -0.14 0.00 -1.23 0.00 0.00 66.70 64.14 3gjx h VAL 120 Cb 0.27 1.70 -0.03 0.00 -2.13 0.00 0.00 31.29 31.10 3gjx h VAL 120 CO 0.00 0.30 -2.00 -0.62 -1.23 0.00 0.00 177.57 174.02 3gjx n GLU 121 N -3.77 0.84 -1.32 5.19 1.02 -1.10 -4.58 120.64 116.92 3gjx n GLU 121 Ca -0.01 -0.10 -0.38 0.00 -0.02 0.00 0.00 57.16 56.65 3gjx n GLU 121 Cb 0.40 -1.44 -0.07 0.00 -0.02 0.00 0.00 31.44 30.31 3gjx n GLU 121 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3gjx n LYS 122 N -2.37 1.22 -0.17 3.49 4.01 -1.13 -4.83 118.16 118.39 3gjx n LYS 122 Ca -0.14 -1.88 -0.06 0.00 -0.51 0.00 0.00 58.31 55.72 3gjx n LYS 122 Cb 0.74 -3.13 -0.00 0.00 -0.51 0.00 0.00 35.03 32.13 3gjx n LYS 122 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3gjx n GLU 123 N 7.56 0.00 0.07 1.97 -0.58 -1.26 -4.55 120.64 123.85 3gjx n GLU 123 Ca 0.47 0.00 0.21 0.00 -0.42 0.00 0.00 57.16 57.42 3gjx n GLU 123 Cb 0.43 -0.12 0.69 0.00 -0.57 0.00 0.00 31.44 31.86 3gjx n GLU 123 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3gjx h LYS 124 N 0.09 0.00 -0.81 3.49 6.56 -1.85 0.18 116.57 124.23 3gjx h LYS 124 Ca -0.04 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.71 3gjx h LYS 124 Cb 0.18 0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 31.68 3gjx h LYS 124 CO 0.06 0.00 -0.21 0.28 -2.06 0.00 0.00 179.45 177.53 3gjx h VAL 125 N 0.00 0.19 -0.05 0.50 2.07 -1.97 1.91 116.25 118.89 3gjx h VAL 125 Ca 0.22 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 3gjx h VAL 125 Cb 1.38 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3gjx h VAL 125 CO -0.00 0.00 -0.11 0.22 0.02 0.00 0.00 177.57 177.69 3gjx h TYR 126 N -0.00 0.22 -0.21 1.57 3.20 -1.19 -2.30 116.97 118.26 3gjx h TYR 126 Ca 0.39 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 3gjx h TYR 126 Cb 0.59 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3gjx h TYR 126 CO -0.64 0.71 0.10 0.82 -1.64 0.00 0.00 178.16 177.51 3gjx h ILE 127 N -0.33 1.14 -0.24 1.81 1.08 -1.22 0.55 117.51 120.29 3gjx h ILE 127 Ca 0.00 -0.40 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 3gjx h ILE 127 Cb 0.70 1.01 -0.01 0.00 -3.07 0.00 0.00 36.82 35.45 3gjx h ILE 127 CO 0.03 0.14 0.14 1.23 -0.69 0.00 0.00 178.15 178.99 3gjx h GLY 128 N 0.21 0.36 0.76 5.37 0.00 0.29 0.10 103.07 110.16 3gjx h GLY 128 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 47.33 47.28 3gjx h GLY 128 CO -0.01 0.15 0.08 1.70 0.00 0.00 0.00 176.54 178.46 3gjx h LYS 129 N 0.30 0.19 -0.49 4.80 1.63 -1.28 0.17 116.57 121.89 3gjx h LYS 129 Ca 0.09 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.97 3gjx h LYS 129 Cb 0.03 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 31.52 3gjx h LYS 129 CO -0.02 0.13 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.93 3gjx h LEU 130 N 0.20 -0.44 -0.36 5.20 3.38 -0.50 -0.79 115.31 122.01 3gjx h LEU 130 Ca 0.12 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.26 3gjx h LEU 130 Cb 0.09 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3gjx h LEU 130 CO -0.13 -0.16 0.18 0.78 0.09 0.00 0.00 178.44 179.21 3gjx h ASN 131 N 0.01 0.27 -0.26 -0.43 2.35 0.37 -1.37 115.58 116.52 3gjx h ASN 131 Ca 0.24 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 56.06 3gjx h ASN 131 Cb 0.36 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3gjx h ASN 131 CO -0.50 0.20 0.19 0.24 -1.65 0.00 0.00 177.43 175.91 3gjx h MET 132 N 0.38 0.07 -0.26 0.81 2.86 0.01 -0.38 114.93 118.42 3gjx h MET 132 Ca 0.15 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.72 3gjx h MET 132 Cb 0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3gjx h MET 132 CO -0.10 0.05 -0.07 0.82 1.06 0.00 0.00 176.91 178.67 3gjx h ILE 133 N 0.08 1.29 -0.69 -1.22 2.04 -0.06 0.22 117.51 119.16 3gjx h ILE 133 Ca 0.12 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.88 3gjx h ILE 133 Cb 0.39 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3gjx h ILE 133 CO -0.01 0.35 0.45 0.25 0.00 0.00 0.00 178.15 179.19 3gjx h LEU 134 N 0.26 0.80 -0.97 1.44 5.85 -0.73 -0.89 115.31 121.07 3gjx h LEU 134 Ca 0.06 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3gjx h LEU 134 Cb 0.55 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3gjx h LEU 134 CO 0.03 0.58 0.63 0.58 -0.34 0.00 0.00 178.44 179.92 3gjx h VAL 135 N 0.94 1.18 -0.30 1.05 2.07 -0.92 0.52 116.25 120.78 3gjx h VAL 135 Ca 0.25 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.38 3gjx h VAL 135 Cb -0.10 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.47 3gjx h VAL 135 CO -0.05 0.23 0.10 1.56 0.02 0.00 0.00 177.57 179.42 3gjx h GLN 136 N 1.24 0.22 0.17 1.57 1.08 -0.17 0.24 115.11 119.46 3gjx h GLN 136 Ca 0.38 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.56 3gjx h GLN 136 Cb -0.03 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 3gjx h GLN 136 CO -0.11 0.14 -0.08 0.82 -0.95 0.00 0.00 178.83 178.65 3gjx h ILE 137 N 0.22 0.86 -0.95 2.54 2.04 -0.24 -2.36 117.51 119.62 3gjx h ILE 137 Ca 0.14 -0.15 0.23 0.00 1.00 0.00 0.00 64.86 66.08 3gjx h ILE 137 Cb 0.12 0.95 -0.12 0.00 -0.74 0.00 0.00 36.82 37.03 3gjx h ILE 137 CO -0.15 0.03 0.49 -0.07 0.00 0.00 0.00 178.15 178.46 3gjx h LEU 138 N -0.30 0.50 -1.48 1.44 3.38 0.24 0.11 115.31 119.20 3gjx h LEU 138 Ca -0.02 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3gjx h LEU 138 Cb 0.23 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3gjx h LEU 138 CO 0.04 0.05 -0.13 0.11 0.09 0.00 0.00 178.44 178.59 3gjx h LYS 139 N 0.48 0.17 0.00 1.13 1.57 -0.02 0.65 116.57 120.56 3gjx h LYS 139 Ca 0.60 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.35 3gjx h LYS 139 Cb 1.15 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3gjx h LYS 139 CO -0.50 0.31 -0.73 1.04 -0.57 0.00 0.00 179.45 179.00 3gjx n GLN 140 N -4.30 0.26 -0.70 3.15 1.13 0.31 -4.62 117.38 112.62 3gjx n GLN 140 Ca -0.01 0.05 -0.02 0.00 -1.94 0.00 0.00 57.00 55.08 3gjx n GLN 140 Cb 0.25 -1.64 -0.02 0.00 0.11 0.00 0.00 30.24 28.94 3gjx n GLN 140 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3gjx n GLU 141 N -2.01 0.00 0.16 -1.09 0.28 -0.67 -5.02 120.64 112.28 3gjx n GLU 141 Ca 0.03 -0.47 -0.14 0.00 -0.16 0.00 0.00 57.16 56.42 3gjx n GLU 141 Cb 0.43 0.13 -0.07 0.00 1.43 0.00 0.00 31.44 33.36 3gjx n GLU 141 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 3gjx h TRP 142 N 0.04 -1.00 0.07 -1.84 7.01 0.12 -2.70 115.95 117.65 3gjx h TRP 142 Ca -0.19 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 60.82 3gjx h TRP 142 Cb 1.19 0.41 0.00 0.00 -2.10 0.00 0.00 29.16 28.67 3gjx h TRP 142 CO -0.21 -0.49 -0.04 -1.35 -2.79 0.00 0.00 178.44 173.56 3gjx h PRO 143 N -0.66 -0.10 -0.11 2.65 0.11 -1.83 -3.17 132.00 128.90 3gjx h PRO 143 Ca 0.01 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.17 3gjx h PRO 143 Cb 0.65 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 31.72 3gjx h PRO 143 CO -0.16 0.21 -0.30 1.57 -0.21 0.00 0.00 178.00 179.12 3gjx h LYS 144 N -0.99 -0.36 -0.17 1.05 2.10 -1.97 -3.12 116.57 113.11 3gjx h LYS 144 Ca -0.01 0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.64 3gjx h LYS 144 Cb 0.35 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.75 3gjx h LYS 144 CO 0.02 -0.24 -0.04 0.72 -2.00 0.00 0.00 179.45 177.90 3gjx n HIS 145 N -5.40 0.57 -2.72 0.07 8.25 -1.03 -4.58 115.22 110.39 3gjx n HIS 145 Ca -0.03 -1.06 -0.05 0.00 -0.26 0.00 0.00 57.72 56.31 3gjx n HIS 145 Cb 0.31 -0.28 0.07 0.00 1.12 0.00 0.00 29.99 31.22 3gjx n HIS 145 CO 0.00 0.00 0.00 1.87 0.64 0.00 0.00 176.34 178.85 3gjx n TRP 146 N -0.96 -0.17 0.02 4.41 -0.00 -1.17 -4.98 117.44 114.58 3gjx n TRP 146 Ca 0.21 -2.24 0.02 0.00 -0.00 0.00 0.00 57.50 55.49 3gjx n TRP 146 Cb 0.81 0.43 0.37 0.00 -0.00 0.00 0.00 31.31 32.93 3gjx n TRP 146 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3gjx h PRO 147 N 2.34 0.49 0.00 5.87 0.11 -1.68 -2.22 132.00 136.91 3gjx h PRO 147 Ca -0.21 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3gjx h PRO 147 Cb 1.25 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gjx h PRO 147 CO 0.17 0.44 -0.37 0.25 -0.21 0.00 0.00 178.00 178.28 3gjx n THR 148 N -4.37 0.23 -0.39 -1.15 -2.24 -1.26 -4.52 114.28 100.57 3gjx n THR 148 Ca 0.02 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 3gjx n THR 148 Cb 0.16 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.14 3gjx n THR 148 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3gjx h PHE 149 N 0.00 -1.75 -0.57 4.78 3.57 -1.73 0.42 116.94 121.66 3gjx h PHE 149 Ca 0.00 0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 3gjx h PHE 149 Cb 0.63 0.89 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 3gjx h PHE 149 CO 0.00 -0.38 0.06 0.97 -2.23 0.00 0.00 178.31 176.73 3gjx h ILE 150 N -0.03 1.26 0.05 1.41 6.09 -1.82 -1.43 117.51 123.04 3gjx h ILE 150 Ca 0.18 -1.03 0.02 0.00 -1.37 0.00 0.00 64.86 62.66 3gjx h ILE 150 Cb 0.45 0.80 -0.03 0.00 0.47 0.00 0.00 36.82 38.52 3gjx h ILE 150 CO -0.92 0.37 -0.15 0.28 -3.07 0.00 0.00 178.15 174.66 3gjx h SER 151 N 0.86 -0.43 -0.29 2.19 0.02 -1.65 -3.06 113.55 111.19 3gjx h SER 151 Ca 0.17 0.06 0.07 0.00 -0.84 0.00 0.00 61.79 61.24 3gjx h SER 151 Cb 0.46 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.09 3gjx h SER 151 CO 0.02 -0.22 -0.30 0.44 -1.14 0.00 0.00 176.83 175.63 3gjx h ASP 152 N -0.27 -0.97 -0.47 3.07 3.32 -0.20 -2.02 116.42 118.88 3gjx h ASP 152 Ca 0.04 0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 3gjx h ASP 152 Cb 0.31 0.45 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3gjx h ASP 152 CO -0.11 -0.32 0.07 0.16 -1.72 0.00 0.00 179.24 177.31 3gjx h ILE 153 N -0.29 1.25 -0.81 0.35 3.07 -1.30 0.22 117.51 120.00 3gjx h ILE 153 Ca 0.14 -0.93 0.10 0.00 1.55 0.00 0.00 64.86 65.73 3gjx h ILE 153 Cb 0.52 0.95 -0.08 0.00 -0.27 0.00 0.00 36.82 37.94 3gjx h ILE 153 CO -0.45 0.33 0.45 0.58 -1.05 0.00 0.00 178.15 178.00 3gjx h VAL 154 N 0.64 0.87 0.47 0.16 2.07 -1.42 0.40 116.25 119.44 3gjx h VAL 154 Ca 0.14 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3gjx h VAL 154 Cb 0.40 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3gjx h VAL 154 CO 0.01 0.13 -0.24 1.23 0.02 0.00 0.00 177.57 178.73 3gjx h GLY 155 N 0.73 -0.68 0.49 2.17 0.00 -0.52 -2.53 103.07 102.73 3gjx h GLY 155 Ca 0.40 0.26 0.12 0.00 0.00 0.00 0.00 47.33 48.11 3gjx h GLY 155 CO -0.27 -0.25 0.63 0.00 0.00 0.00 0.00 176.54 176.65 3gjx h ALA 156 N -0.12 1.51 0.00 3.60 0.00 0.26 0.03 119.26 124.54 3gjx h ALA 156 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gjx h ALA 156 Cb 0.50 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gjx h ALA 156 CO 0.10 0.24 -0.06 0.77 0.00 0.00 0.00 179.25 180.30 3gjx h SER 157 N 1.01 0.00 0.83 0.00 0.02 0.02 -1.26 113.55 114.16 3gjx h SER 157 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 3gjx h SER 157 Cb 0.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.00 3gjx h SER 157 CO -0.26 0.06 -0.15 0.54 -1.14 0.00 0.00 176.83 175.88 3gjx n ARG 158 N -4.42 0.03 -0.10 3.45 1.74 -0.02 -4.08 116.66 113.26 3gjx n ARG 158 Ca -0.03 -0.01 -0.15 0.00 -0.77 0.00 0.00 57.85 56.89 3gjx n ARG 158 Cb 0.14 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.02 3gjx n ARG 158 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3gjx n THR 159 N -1.48 1.49 -4.37 0.55 -1.04 -0.55 -4.95 114.28 103.93 3gjx n THR 159 Ca 0.07 -0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.74 3gjx n THR 159 Cb 0.34 -2.19 -0.14 0.00 -1.82 0.00 0.00 70.33 66.51 3gjx n THR 159 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3gjx s SER 160 N -6.43 4.11 0.22 8.00 0.15 -0.78 -4.99 113.70 113.98 3gjx s SER 160 Ca -0.28 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 55.92 3gjx s SER 160 Cb 0.07 -1.66 0.18 0.00 -1.71 0.00 0.00 66.02 62.90 3gjx s SER 160 CO 0.42 0.08 1.89 -0.08 1.20 0.00 0.00 173.24 176.76 3gjx h GLU 161 N 7.32 1.08 -0.72 5.44 4.81 -1.87 0.23 114.58 130.87 3gjx h GLU 161 Ca -0.34 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 3gjx h GLU 161 Cb 1.19 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.29 3gjx h GLU 161 CO 0.59 0.71 0.39 0.77 -0.73 0.00 0.00 179.01 180.74 3gjx h SER 162 N 1.11 0.90 0.26 1.04 0.02 -1.94 0.21 113.55 115.15 3gjx h SER 162 Ca 0.30 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 61.02 3gjx h SER 162 Cb -0.13 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.17 3gjx h SER 162 CO -0.06 0.74 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.77 3gjx h LEU 163 N 0.99 0.32 -0.40 5.07 3.38 -1.70 -2.81 115.31 120.17 3gjx h LEU 163 Ca 0.25 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3gjx h LEU 163 Cb 0.04 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3gjx h LEU 163 CO -0.04 0.79 -0.01 0.00 0.09 0.00 0.00 178.44 179.27 3gjx h GLN 165 N 0.55 -0.72 -0.40 0.00 5.75 -0.46 -1.91 115.11 117.92 3gjx h GLN 165 Ca 0.11 0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.62 3gjx h GLN 165 Cb 0.49 0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.19 3gjx h GLN 165 CO 0.02 -0.48 0.08 -0.97 -2.65 0.00 0.00 178.83 174.84 3gjx h ASN 166 N -0.74 0.54 -0.68 -0.69 -0.00 -1.53 -2.79 115.58 109.69 3gjx h ASN 166 Ca -0.01 -0.08 -0.04 0.00 -0.00 0.00 0.00 56.30 56.17 3gjx h ASN 166 Cb 0.74 -0.14 -0.03 0.00 -0.00 0.00 0.00 38.32 38.89 3gjx h ASN 166 CO -0.26 0.56 0.27 0.78 -0.00 0.00 0.00 177.43 178.78 3gjx h ASN 167 N 0.58 0.95 -0.20 1.15 2.35 -1.14 -0.30 115.58 118.96 3gjx h ASN 167 Ca 0.13 -0.17 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3gjx h ASN 167 Cb 0.24 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 3gjx h ASN 167 CO -0.00 0.86 0.14 0.24 -1.65 0.00 0.00 177.43 177.02 3gjx h MET 168 N 0.97 0.13 -0.16 0.81 2.86 -1.08 0.15 114.93 118.61 3gjx h MET 168 Ca 0.23 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 3gjx h MET 168 Cb 0.21 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3gjx h MET 168 CO -0.02 0.08 -0.25 0.28 1.06 0.00 0.00 176.91 178.06 3gjx h VAL 169 N 0.13 1.35 -0.44 -2.22 2.07 -1.15 -2.90 116.25 113.10 3gjx h VAL 169 Ca 0.09 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3gjx h VAL 169 Cb 0.19 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3gjx h VAL 169 CO -0.01 0.44 0.23 0.40 0.02 0.00 0.00 177.57 178.65 3gjx h ILE 170 N 0.08 1.17 0.00 4.57 2.04 0.32 -2.30 117.51 123.39 3gjx h ILE 170 Ca 0.01 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.40 3gjx h ILE 170 Cb 0.83 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.56 3gjx h ILE 170 CO 0.06 0.18 -0.10 -0.07 0.00 0.00 0.00 178.15 178.22 3gjx h LEU 171 N 0.58 0.00 -0.01 1.44 3.38 -0.82 -0.10 115.31 119.78 3gjx h LEU 171 Ca 0.15 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.86 3gjx h LEU 171 Cb 0.08 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.84 3gjx h LEU 171 CO -0.02 0.10 -1.09 0.50 0.09 0.00 0.00 178.44 178.01 3gjx h LYS 172 N 0.00 0.52 -0.11 1.13 3.64 -1.25 -2.33 116.57 118.17 3gjx h LYS 172 Ca -0.00 -0.63 -0.01 0.00 -1.27 0.00 0.00 60.65 58.73 3gjx h LYS 172 Cb 0.22 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3gjx h LYS 172 CO 0.01 1.25 0.01 -0.07 -2.27 0.00 0.00 179.45 178.39 3gjx h LEU 173 N 0.26 0.18 -0.37 5.20 3.38 -0.85 -2.19 115.31 120.93 3gjx h LEU 173 Ca -0.13 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.64 3gjx h LEU 173 Cb 1.75 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 42.38 3gjx h LEU 173 CO 0.20 0.41 -0.11 0.25 0.09 0.00 0.00 178.44 179.28 3gjx h LEU 174 N -0.05 -0.39 -1.27 1.67 5.85 -1.09 -1.10 115.31 118.93 3gjx h LEU 174 Ca 0.03 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3gjx h LEU 174 Cb 0.31 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3gjx h LEU 174 CO 0.00 -0.14 0.54 -1.28 -0.34 0.00 0.00 178.44 177.22 3gjx h SER 175 N -0.02 0.74 -0.28 1.25 0.87 -1.32 -0.60 113.55 114.20 3gjx h SER 175 Ca 0.18 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.64 3gjx h SER 175 Cb 0.30 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3gjx h SER 175 CO -0.39 0.45 -0.29 -0.33 -0.53 0.00 0.00 176.83 175.75 3gjx h GLU 176 N 0.83 0.68 0.00 2.24 5.08 -0.67 -0.41 114.58 122.33 3gjx h GLU 176 Ca 0.38 -0.36 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 3gjx h GLU 176 Cb 0.37 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3gjx h GLU 176 CO -0.15 0.98 -0.64 0.93 -1.00 0.00 0.00 179.01 179.13 3gjx h GLU 177 N 0.42 0.00 0.01 2.33 4.39 -0.76 0.84 114.58 121.82 3gjx h GLU 177 Ca 0.04 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.44 3gjx h GLU 177 Cb 0.85 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.46 3gjx h GLU 177 CO 0.07 0.64 -1.78 0.28 -1.16 0.00 0.00 179.01 177.06 3gjx n VAL 178 N -3.65 1.61 -0.00 3.13 0.31 -0.27 -2.10 118.33 117.35 3gjx n VAL 178 Ca -0.01 -0.79 -0.01 0.00 -0.01 0.00 0.00 64.34 63.52 3gjx n VAL 178 Cb 0.66 -1.06 -0.00 0.00 -0.91 0.00 0.00 33.84 32.53 3gjx n VAL 178 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3gjx n PHE 179 N -3.06 0.00 -0.34 3.52 3.72 -0.17 -4.47 117.46 116.66 3gjx n PHE 179 Ca -0.19 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.24 3gjx n PHE 179 Cb 1.06 -0.06 0.18 0.00 -0.94 0.00 0.00 39.48 39.72 3gjx n PHE 179 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3gjx h ASP 180 N -0.11 0.93 0.00 4.37 3.32 -1.41 -3.29 116.42 120.23 3gjx h ASP 180 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3gjx h ASP 180 Cb 0.11 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3gjx h ASP 180 CO 0.00 0.57 0.00 0.49 -1.72 0.00 0.00 179.24 178.58 3gjx n PHE 181 N -4.58 0.00 -0.30 4.55 3.72 0.29 -4.76 117.46 116.37 3gjx n PHE 181 Ca 0.15 -0.23 0.06 0.00 -0.05 0.00 0.00 57.45 57.38 3gjx n PHE 181 Cb 0.23 -0.02 0.21 0.00 -0.94 0.00 0.00 39.48 38.95 3gjx n PHE 181 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3gjx h SER 182 N 0.00 0.62 -2.28 4.37 4.64 -1.49 -3.37 113.55 116.03 3gjx h SER 182 Ca 0.00 0.07 -0.55 0.00 -0.47 0.00 0.00 61.79 60.85 3gjx h SER 182 Cb 0.28 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3gjx h SER 182 CO 0.00 0.30 1.30 -0.44 -0.87 0.00 0.00 176.83 177.12 3gjx s SER 183 N -5.50 6.20 0.00 4.97 0.01 -1.26 -0.79 113.70 117.32 3gjx s SER 183 Ca -0.12 2.45 0.00 0.00 1.31 0.00 0.00 55.95 59.59 3gjx s SER 183 Cb 0.21 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.92 3gjx s SER 183 CO 0.78 -1.29 0.00 0.61 0.41 0.00 0.00 173.24 173.75 3gjx n GLY 184 N 4.85 3.11 0.01 3.44 0.00 -1.26 -4.80 105.19 110.53 3gjx n GLY 184 Ca 0.22 -0.94 0.11 0.00 0.00 0.00 0.00 46.02 45.41 3gjx n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gjx n GLN 185 N 0.00 0.08 -4.14 1.61 10.64 -0.82 -4.76 117.38 120.00 3gjx n GLN 185 Ca 0.00 -0.01 -0.15 0.00 -1.83 0.00 0.00 57.00 55.00 3gjx n GLN 185 Cb 0.00 -1.51 -0.14 0.00 -0.86 0.00 0.00 30.24 27.72 3gjx n GLN 185 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 3gjx s ILE 186 N -3.06 0.39 0.57 -0.39 1.01 0.03 -5.01 121.20 114.75 3gjx s ILE 186 Ca 0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.29 3gjx s ILE 186 Cb 0.16 -0.34 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 3gjx s ILE 186 CO 0.82 0.09 1.18 0.28 0.00 0.00 0.00 174.94 177.31 3gjx s THR 187 N -0.17 2.86 0.26 2.92 -1.32 -1.26 -4.68 115.64 114.25 3gjx s THR 187 Ca 0.01 0.54 -0.01 0.00 -1.21 0.00 0.00 61.69 61.02 3gjx s THR 187 Cb -0.02 -3.22 0.24 0.00 -1.51 0.00 0.00 72.50 67.99 3gjx s THR 187 CO -0.00 -0.11 1.79 1.56 -2.21 0.00 0.00 174.62 175.64 3gjx h GLN 188 N 1.05 0.72 0.00 7.08 4.20 -1.94 -1.38 115.11 124.83 3gjx h GLN 188 Ca -0.50 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.01 3gjx h GLN 188 Cb 1.28 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 3gjx h GLN 188 CO 0.56 0.47 -0.75 -0.39 -0.67 0.00 0.00 178.83 178.06 3gjx h VAL 189 N 0.74 1.48 -0.10 -0.54 -1.51 -1.96 -1.70 116.25 112.65 3gjx h VAL 189 Ca 0.45 -2.61 -0.04 0.00 -1.23 0.00 0.00 66.70 63.26 3gjx h VAL 189 Cb 0.55 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 32.14 3gjx h VAL 189 CO -0.31 0.73 -0.11 0.50 -1.23 0.00 0.00 177.57 177.16 3gjx h LYS 190 N 0.00 0.26 0.11 5.19 3.64 -1.70 -2.56 116.57 121.51 3gjx h LYS 190 Ca -0.01 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3gjx h LYS 190 Cb 1.37 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 3gjx h LYS 190 CO 0.10 0.67 -0.17 0.00 -2.27 0.00 0.00 179.45 177.78 3gjx h ALA 191 N 0.58 -0.30 -0.85 5.00 0.00 -1.28 -0.27 119.26 122.14 3gjx h ALA 191 Ca 0.02 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.10 3gjx h ALA 191 Cb 0.63 0.27 -0.12 0.00 0.00 0.00 0.00 17.79 18.57 3gjx h ALA 191 CO 0.03 -0.70 0.31 -0.22 0.00 0.00 0.00 179.25 178.66 3gjx h LYS 192 N -0.34 0.33 -0.25 0.00 1.63 -1.31 1.16 116.57 117.79 3gjx h LYS 192 Ca 0.02 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 3gjx h LYS 192 Cb 0.36 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.91 3gjx h LYS 192 CO -0.09 0.22 -0.33 1.25 -3.45 0.00 0.00 179.45 177.05 3gjx h HIS 193 N 0.34 0.81 -0.22 1.91 2.76 -1.00 -1.75 115.15 118.00 3gjx h HIS 193 Ca 0.51 -0.26 -0.09 0.00 -2.20 0.00 0.00 60.37 58.33 3gjx h HIS 193 Cb 0.95 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 3gjx h HIS 193 CO -0.19 1.01 -0.27 -0.07 -1.30 0.00 0.00 177.93 177.11 3gjx h LEU 194 N 0.38 0.42 0.24 0.26 4.07 0.13 -1.53 115.31 119.27 3gjx h LEU 194 Ca 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3gjx h LEU 194 Cb 0.91 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.54 3gjx h LEU 194 CO 0.08 0.68 -0.13 0.50 -1.08 0.00 0.00 178.44 178.49 3gjx h LYS 195 N 0.37 -0.33 0.00 1.13 3.11 0.15 -1.97 116.57 119.03 3gjx h LYS 195 Ca 0.05 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 3gjx h LYS 195 Cb 0.67 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 3gjx h LYS 195 CO 0.05 -0.22 0.00 -0.40 -2.81 0.00 0.00 179.45 176.07 3gjx n ASP 196 N -3.00 0.00 -0.04 4.20 3.85 -0.67 -2.20 116.55 118.69 3gjx n ASP 196 Ca -0.04 -0.72 -0.15 0.00 -0.71 0.00 0.00 54.79 53.16 3gjx n ASP 196 Cb 0.14 -0.03 -0.13 0.00 -1.35 0.00 0.00 41.12 39.75 3gjx n ASP 196 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.20 176.47 3gjx h SER 197 N 0.00 0.13 0.92 -1.12 0.02 -1.11 -2.88 113.55 109.52 3gjx h SER 197 Ca 0.00 -0.95 -0.04 0.00 -0.84 0.00 0.00 61.79 59.96 3gjx h SER 197 Cb 0.02 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 3gjx h SER 197 CO 0.00 1.07 -0.21 -0.03 -1.14 0.00 0.00 176.83 176.52 3gjx h MET 198 N -0.79 0.00 -0.17 3.45 4.05 -0.87 -2.08 114.93 118.53 3gjx h MET 198 Ca -0.04 0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.20 3gjx h MET 198 Cb 1.13 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.93 3gjx h MET 198 CO 0.04 0.21 -0.65 0.00 0.23 0.00 0.00 176.91 176.74 3gjx h ASN 200 N 0.46 0.00 -0.12 0.00 -0.73 -1.14 -3.02 115.58 111.03 3gjx h ASN 200 Ca -0.01 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 57.98 3gjx h ASN 200 Cb 1.23 0.00 -0.31 0.00 0.27 0.00 0.00 38.32 39.51 3gjx h ASN 200 CO 0.13 0.07 -0.93 -1.84 -0.37 0.00 0.00 177.43 174.48 3gjx n GLU 201 N -3.39 0.83 0.08 6.67 0.28 -1.21 -4.85 120.64 119.05 3gjx n GLU 201 Ca -0.02 -2.65 -0.17 0.00 -0.16 0.00 0.00 57.16 54.16 3gjx n GLU 201 Cb 0.22 -0.73 -0.09 0.00 1.43 0.00 0.00 31.44 32.26 3gjx n GLU 201 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3gjx h PHE 202 N 1.34 0.78 -1.00 -1.84 3.57 -1.37 -3.27 116.94 115.14 3gjx h PHE 202 Ca -0.13 -0.46 0.24 0.00 3.53 0.00 0.00 57.97 61.14 3gjx h PHE 202 Cb 1.59 -0.07 -0.19 0.00 2.79 0.00 0.00 35.95 40.07 3gjx h PHE 202 CO 0.39 1.31 -0.12 0.66 -2.23 0.00 0.00 178.31 178.31 3gjx h SER 203 N 0.25 -0.73 -1.00 0.41 4.64 -1.89 0.37 113.55 115.60 3gjx h SER 203 Ca -0.13 0.29 0.21 0.00 -0.47 0.00 0.00 61.79 61.70 3gjx h SER 203 Cb 1.76 0.56 -0.11 0.00 -0.31 0.00 0.00 62.40 64.30 3gjx h SER 203 CO 0.20 -0.35 0.61 1.56 -0.87 0.00 0.00 176.83 177.98 3gjx h GLN 204 N 0.00 0.65 0.00 4.77 4.20 -1.96 -2.05 115.11 120.72 3gjx h GLN 204 Ca 0.54 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 59.12 3gjx h GLN 204 Cb 0.97 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 3gjx h GLN 204 CO -0.99 0.43 -1.36 0.44 -0.67 0.00 0.00 178.83 176.68 3gjx n ILE 205 N -4.79 0.85 0.14 2.54 -5.35 0.12 -3.10 119.36 109.76 3gjx n ILE 205 Ca 0.25 -0.62 0.02 0.00 -0.27 0.00 0.00 62.75 62.12 3gjx n ILE 205 Cb 0.65 -0.49 0.37 0.00 -1.74 0.00 0.00 39.64 38.44 3gjx n ILE 205 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3gjx h PHE 206 N 0.00 0.19 -0.19 4.28 3.57 -0.59 -0.25 116.94 123.95 3gjx h PHE 206 Ca -0.10 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.28 3gjx h PHE 206 Cb 1.32 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.01 3gjx h PHE 206 CO 0.00 0.38 -0.23 1.96 -2.23 0.00 0.00 178.31 178.19 3gjx h GLN 207 N 0.16 0.49 -0.43 1.11 4.20 -1.44 0.63 115.11 119.84 3gjx h GLN 207 Ca 0.03 -0.28 0.06 0.00 0.06 0.00 0.00 58.65 58.52 3gjx h GLN 207 Cb 0.47 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.22 3gjx h GLN 207 CO 0.03 0.86 0.13 1.25 -0.67 0.00 0.00 178.83 180.43 3gjx h LEU 208 N 0.15 0.10 0.31 1.46 6.46 -1.41 0.52 115.31 122.91 3gjx h LEU 208 Ca 0.02 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.84 3gjx h LEU 208 Cb 0.80 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 3gjx h LEU 208 CO 0.06 0.09 -0.25 0.00 -0.62 0.00 0.00 178.44 177.72 3gjx h GLN 210 N -0.57 0.06 -0.44 0.00 4.15 -0.41 0.48 115.11 118.39 3gjx h GLN 210 Ca -0.02 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.46 3gjx h GLN 210 Cb 0.50 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.12 3gjx h GLN 210 CO -0.02 0.04 0.12 0.35 -1.93 0.00 0.00 178.83 177.39 3gjx h PHE 211 N 0.06 0.20 0.61 3.99 3.57 0.17 -0.07 116.94 125.48 3gjx h PHE 211 Ca 0.13 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 3gjx h PHE 211 Cb 0.17 -0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.89 3gjx h PHE 211 CO -0.21 0.05 -0.29 0.28 -2.23 0.00 0.00 178.31 175.90 3gjx h VAL 212 N 0.27 0.40 -0.74 1.41 2.07 0.03 -1.58 116.25 118.10 3gjx h VAL 212 Ca 0.21 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 67.88 3gjx h VAL 212 Cb 0.24 0.41 -0.13 0.00 -1.52 0.00 0.00 31.29 30.29 3gjx h VAL 212 CO -0.25 0.00 0.05 0.24 0.02 0.00 0.00 177.57 177.64 3gjx h MET 213 N -0.84 0.14 0.00 1.57 2.86 0.48 0.49 114.93 119.64 3gjx h MET 213 Ca -0.08 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3gjx h MET 213 Cb 0.64 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.26 3gjx h MET 213 CO 0.14 0.09 -0.00 1.05 1.06 0.00 0.00 176.91 179.25 3gjx h GLU 214 N 0.14 -0.00 -0.01 1.72 4.11 -0.95 -3.32 114.58 116.28 3gjx h GLU 214 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 3gjx h GLU 214 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3gjx h GLU 214 CO -0.62 0.89 -0.02 0.09 0.07 0.00 0.00 179.01 179.41 3gjx n ASN 215 N -4.64 0.64 -4.02 3.06 3.02 -0.60 -4.97 115.26 107.74 3gjx n ASN 215 Ca -0.09 -1.10 -0.36 0.00 -0.03 0.00 0.00 54.58 52.99 3gjx n ASN 215 Cb 0.43 -0.01 0.03 0.00 -0.61 0.00 0.00 39.78 39.61 3gjx n ASN 215 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3gjx n SER 216 N -0.56 -5.18 0.00 6.41 3.41 0.17 -4.92 113.62 112.96 3gjx n SER 216 Ca 0.20 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3gjx n SER 216 Cb 0.23 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 3gjx n SER 216 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gjx n GLN 217 N 2.13 0.00 -2.60 4.33 1.13 -1.26 -5.06 117.38 116.05 3gjx n GLN 217 Ca 0.01 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.66 3gjx n GLN 217 Cb 0.52 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.84 3gjx n GLN 217 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3gjx s ASN 218 N -0.15 6.19 0.18 1.08 3.04 -1.26 -4.91 114.94 119.10 3gjx s ASN 218 Ca 0.00 -0.61 -0.13 0.00 0.04 0.00 0.00 52.86 52.16 3gjx s ASN 218 Cb 0.00 -2.54 0.14 0.00 -1.54 0.00 0.00 41.25 37.31 3gjx s ASN 218 CO 0.00 -1.75 1.77 0.00 -3.04 0.00 0.00 177.10 174.08 3gjx h ALA 219 N 9.93 0.62 -0.20 1.71 0.00 -1.98 0.19 119.26 129.53 3gjx h ALA 219 Ca -0.24 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3gjx h ALA 219 Cb 1.05 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3gjx h ALA 219 CO 1.27 -0.13 -0.08 -1.35 0.00 0.00 0.00 179.25 178.96 3gjx h PRO 220 N 0.45 -0.05 -0.97 0.00 0.11 -2.00 -1.33 132.00 128.21 3gjx h PRO 220 Ca 0.22 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.35 3gjx h PRO 220 Cb 0.16 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.23 3gjx h PRO 220 CO -0.18 -0.03 0.64 1.25 -0.21 0.00 0.00 178.00 179.47 3gjx h LEU 221 N -0.05 1.10 -0.53 2.35 5.85 -1.77 -2.03 115.31 120.22 3gjx h LEU 221 Ca 0.11 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3gjx h LEU 221 Cb 0.21 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3gjx h LEU 221 CO -0.24 0.78 0.17 0.58 -0.34 0.00 0.00 178.44 179.39 3gjx h VAL 222 N 1.29 1.23 -0.37 1.05 2.07 -0.31 -0.43 116.25 120.77 3gjx h VAL 222 Ca 0.36 -0.78 -0.09 0.00 0.82 0.00 0.00 66.70 67.01 3gjx h VAL 222 Cb -0.11 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 3gjx h VAL 222 CO -0.09 0.29 -0.15 -0.74 0.02 0.00 0.00 177.57 176.90 3gjx h HIS 223 N 0.73 0.75 0.14 1.57 -0.00 -1.06 0.12 115.15 117.40 3gjx h HIS 223 Ca 0.17 -0.14 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 3gjx h HIS 223 Cb 0.27 -0.19 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3gjx h HIS 223 CO 0.02 0.79 -0.07 0.00 -0.00 0.00 0.00 177.93 178.67 3gjx h ALA 224 N 1.23 -0.19 -0.96 5.26 0.00 -1.04 0.44 119.26 123.99 3gjx h ALA 224 Ca 0.10 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 55.00 3gjx h ALA 224 Cb 0.60 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.38 3gjx h ALA 224 CO 0.04 -0.47 0.61 1.15 0.00 0.00 0.00 179.25 180.58 3gjx h THR 225 N -0.45 0.85 -0.65 0.00 2.02 -0.97 0.88 112.91 114.60 3gjx h THR 225 Ca -0.02 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3gjx h THR 225 Cb 0.36 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 3gjx h THR 225 CO 0.03 0.15 0.12 0.25 0.37 0.00 0.00 175.52 176.45 3gjx h LEU 226 N 0.84 1.01 -0.20 2.58 5.85 -0.39 -0.33 115.31 124.68 3gjx h LEU 226 Ca 0.49 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.88 3gjx h LEU 226 Cb 0.65 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3gjx h LEU 226 CO -0.26 1.00 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.14 3gjx h GLU 227 N 0.98 0.00 0.00 1.25 4.39 0.26 -2.38 114.58 119.07 3gjx h GLU 227 Ca 0.20 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.77 3gjx h GLU 227 Cb 0.41 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3gjx h GLU 227 CO 0.01 0.37 -0.64 0.00 -1.16 0.00 0.00 179.01 177.59 3gjx h THR 228 N 0.00 1.17 -0.26 1.13 1.03 0.83 -3.23 112.91 113.57 3gjx h THR 228 Ca -0.00 -2.44 -0.14 0.00 -0.01 0.00 0.00 66.41 63.82 3gjx h THR 228 Cb 1.21 2.43 -0.01 0.00 -1.07 0.00 0.00 68.15 70.71 3gjx h THR 228 CO 0.05 0.62 -0.42 0.25 -0.01 0.00 0.00 175.52 176.01 3gjx h LEU 229 N 0.00 0.69 -2.11 0.00 6.46 -0.66 -2.76 115.31 116.93 3gjx h LEU 229 Ca -0.01 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 3gjx h LEU 229 Cb 1.38 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 41.12 3gjx h LEU 229 CO 0.08 1.02 -0.02 0.25 -0.62 0.00 0.00 178.44 179.15 3gjx h LEU 230 N 0.52 0.00 0.00 2.25 5.85 -1.45 -1.82 115.31 120.66 3gjx h LEU 230 Ca 0.04 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 3gjx h LEU 230 Cb 0.95 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3gjx h LEU 230 CO 0.09 0.02 -1.29 0.03 -0.34 0.00 0.00 178.44 176.95 3gjx h ARG 231 N 0.00 0.00 -0.27 1.25 2.47 -1.61 -3.34 114.38 112.89 3gjx h ARG 231 Ca -0.00 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 3gjx h ARG 231 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 3gjx h ARG 231 CO 0.00 0.35 -0.52 0.74 0.56 0.00 0.00 179.97 181.11 3gjx h PHE 232 N 0.00 1.03 0.00 3.04 0.04 -1.12 -3.08 116.94 116.85 3gjx h PHE 232 Ca -0.14 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.25 3gjx h PHE 232 Cb 1.59 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 39.54 3gjx h PHE 232 CO 0.00 1.19 0.43 -0.07 -0.60 0.00 0.00 178.31 179.26 3gjx h LEU 233 N 0.58 0.00 -1.79 1.54 3.38 -1.47 0.64 115.31 118.20 3gjx h LEU 233 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3gjx h LEU 233 Cb 1.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 3gjx h LEU 233 CO 0.12 0.00 -0.06 0.78 0.09 0.00 0.00 178.44 179.37 3gjx h ASN 234 N 0.00 0.00 0.00 -0.43 2.35 -1.71 -3.41 115.58 112.38 3gjx h ASN 234 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gjx h ASN 234 Cb 0.86 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 3gjx h ASN 234 CO 0.00 0.06 0.00 -2.67 -1.65 0.00 0.00 177.43 173.17 3gjx n TRP 235 N -3.25 0.00 -1.75 1.19 4.27 0.11 -5.11 117.44 112.90 3gjx n TRP 235 Ca -0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 3gjx n TRP 235 Cb 0.27 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.20 3gjx n TRP 235 CO 0.00 0.00 0.00 0.96 -2.29 0.00 0.00 177.69 176.36 3gjx s ILE 236 N -0.63 2.01 0.26 -1.67 -4.36 -0.55 -4.84 121.20 111.41 3gjx s ILE 236 Ca 0.00 0.01 -0.27 0.00 -0.26 0.00 0.00 60.65 60.13 3gjx s ILE 236 Cb 0.00 -3.01 -0.16 0.00 1.25 0.00 0.00 42.46 40.54 3gjx s ILE 236 CO 0.00 0.00 0.51 -2.65 0.24 0.00 0.00 174.94 173.04 3gjx n PRO 237 N 2.55 0.19 0.00 0.37 -0.02 -1.26 -4.78 135.00 132.05 3gjx n PRO 237 Ca 0.10 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.73 3gjx n PRO 237 Cb 0.37 -1.13 0.36 0.00 -0.02 0.00 0.00 33.50 33.08 3gjx n PRO 237 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gjx n LEU 238 N 1.92 0.00 -0.21 2.45 4.77 -1.26 -1.97 117.00 122.69 3gjx n LEU 238 Ca 0.16 0.44 -0.07 0.00 -0.03 0.00 0.00 56.01 56.51 3gjx n LEU 238 Cb 0.29 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3gjx n LEU 238 CO 0.56 -0.20 1.02 1.23 -1.33 0.00 0.00 177.39 178.67 3gjx h GLY 239 N 2.75 0.92 1.97 -0.72 0.00 -1.96 -0.62 103.07 105.41 3gjx h GLY 239 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3gjx h GLY 239 CO 0.00 0.44 0.01 -0.97 0.00 0.00 0.00 176.54 176.02 3gjx h TYR 240 N 0.81 0.00 0.00 5.60 0.05 -1.72 -1.41 116.97 120.30 3gjx h TYR 240 Ca 0.20 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.68 3gjx h TYR 240 Cb 0.13 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 3gjx h TYR 240 CO 0.00 0.00 -1.69 -0.89 -1.05 0.00 0.00 178.16 174.53 3gjx n ILE 241 N -3.75 1.53 0.25 -2.88 5.41 -0.88 -4.34 119.36 114.69 3gjx n ILE 241 Ca -0.03 -0.14 0.12 0.00 1.00 0.00 0.00 62.75 63.70 3gjx n ILE 241 Cb 0.09 -2.01 0.22 0.00 -0.71 0.00 0.00 39.64 37.23 3gjx n ILE 241 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3gjx n PHE 242 N -4.38 0.52 -1.24 1.39 3.72 -0.29 -4.31 117.46 112.87 3gjx n PHE 242 Ca -0.39 -0.27 0.07 0.00 -0.05 0.00 0.00 57.45 56.81 3gjx n PHE 242 Cb 0.74 -0.00 0.10 0.00 -0.94 0.00 0.00 39.48 39.37 3gjx n PHE 242 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3gjx n GLU 243 N 1.47 1.03 -3.86 -1.08 -0.58 -0.53 -4.94 120.64 112.15 3gjx n GLU 243 Ca 0.19 -2.13 -0.18 0.00 -0.42 0.00 0.00 57.16 54.62 3gjx n GLU 243 Cb 0.60 -1.23 -0.06 0.00 -0.57 0.00 0.00 31.44 30.18 3gjx n GLU 243 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3gjx n THR 244 N -1.03 0.00 1.39 2.62 -2.24 -1.26 -4.95 114.28 108.81 3gjx n THR 244 Ca 0.11 -1.91 0.03 0.00 -2.27 0.00 0.00 64.05 60.02 3gjx n THR 244 Cb 0.63 0.78 0.08 0.00 -2.10 0.00 0.00 70.33 69.73 3gjx n THR 244 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gjx n LYS 245 N -0.65 1.44 0.40 -0.78 5.02 -1.26 -4.44 118.16 117.90 3gjx n LYS 245 Ca -0.01 -0.66 -0.19 0.00 -2.02 0.00 0.00 58.31 55.44 3gjx n LYS 245 Cb 0.48 -1.16 -0.09 0.00 -0.02 0.00 0.00 35.03 34.24 3gjx n LYS 245 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3gjx h LEU 246 N 1.06 -0.89 -1.49 -0.35 5.85 -1.86 0.39 115.31 118.02 3gjx h LEU 246 Ca 0.00 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3gjx h LEU 246 Cb 0.26 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3gjx h LEU 246 CO 0.00 -0.62 0.45 0.40 -0.34 0.00 0.00 178.44 178.34 3gjx h ILE 247 N -1.01 0.93 0.11 4.05 2.04 -1.78 -1.14 117.51 120.72 3gjx h ILE 247 Ca -0.10 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3gjx h ILE 247 Cb 0.78 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3gjx h ILE 247 CO 0.15 0.11 -0.05 0.28 0.00 0.00 0.00 178.15 178.63 3gjx h SER 248 N 0.58 -0.13 -0.91 1.72 0.02 -1.75 -2.69 113.55 110.39 3gjx h SER 248 Ca 0.31 -0.43 0.16 0.00 -0.84 0.00 0.00 61.79 60.99 3gjx h SER 248 Cb 0.46 0.03 -0.10 0.00 0.14 0.00 0.00 62.40 62.94 3gjx h SER 248 CO -0.10 0.43 0.50 0.74 -1.14 0.00 0.00 176.83 177.26 3gjx h THR 249 N -0.75 0.73 0.68 -2.27 2.02 0.11 0.85 112.91 114.28 3gjx h THR 249 Ca -0.02 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 3gjx h THR 249 Cb 0.55 -0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3gjx h THR 249 CO 0.02 0.12 -0.33 -0.07 0.37 0.00 0.00 175.52 175.64 3gjx h LEU 250 N 0.68 -0.77 -0.93 2.58 3.38 -1.26 0.12 115.31 119.11 3gjx h LEU 250 Ca 0.50 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 3gjx h LEU 250 Cb 0.73 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 3gjx h LEU 250 CO -0.37 -0.55 0.54 0.40 0.09 0.00 0.00 178.44 178.55 3gjx h ILE 251 N -0.92 1.26 0.16 1.22 2.04 -1.10 -1.78 117.51 118.39 3gjx h ILE 251 Ca -0.09 -0.60 -0.31 0.00 1.00 0.00 0.00 64.86 64.86 3gjx h ILE 251 Cb 0.70 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 3gjx h ILE 251 CO 0.15 0.28 -1.52 1.88 0.00 0.00 0.00 178.15 178.95 3gjx h TYR 252 N 1.29 0.61 0.06 1.37 0.05 -0.92 -3.37 116.97 116.06 3gjx h TYR 252 Ca 0.33 -0.44 -0.18 0.00 0.05 0.00 0.00 58.73 58.49 3gjx h TYR 252 Cb -0.02 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 3gjx h TYR 252 CO 0.01 1.59 -0.91 0.87 -1.05 0.00 0.00 178.16 178.67 3gjx h LYS 253 N -0.11 0.12 0.00 4.88 1.79 -0.77 -3.44 116.57 119.05 3gjx h LYS 253 Ca -0.31 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 3gjx h LYS 253 Cb 1.92 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.65 3gjx h LYS 253 CO 0.13 1.10 -0.99 1.19 -1.08 0.00 0.00 179.45 179.81 3gjx n PHE 254 N -4.26 0.00 0.08 -1.35 3.72 -0.86 -4.61 117.46 110.18 3gjx n PHE 254 Ca -0.21 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.14 3gjx n PHE 254 Cb 0.72 -0.09 0.12 0.00 -0.94 0.00 0.00 39.48 39.30 3gjx n PHE 254 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3gjx h LEU 255 N 0.00 0.28 0.00 4.37 5.85 -1.50 -3.19 115.31 121.12 3gjx h LEU 255 Ca 0.00 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3gjx h LEU 255 Cb 0.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3gjx h LEU 255 CO 0.00 0.81 -0.33 -0.46 -0.34 0.00 0.00 178.44 178.12 3gjx n ASN 256 N -3.88 0.39 -4.75 1.25 0.23 -1.26 -4.49 115.26 102.75 3gjx n ASN 256 Ca -0.02 0.09 -0.37 0.00 -0.53 0.00 0.00 54.58 53.74 3gjx n ASN 256 Cb 0.61 -0.06 -0.06 0.00 -2.08 0.00 0.00 39.78 38.19 3gjx n ASN 256 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 3gjx s VAL 257 N -3.03 5.23 0.15 3.53 -7.23 -1.21 -5.01 120.40 112.83 3gjx s VAL 257 Ca 0.11 0.73 -0.29 0.00 -1.81 0.00 0.00 61.98 60.72 3gjx s VAL 257 Cb 0.17 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.38 3gjx s VAL 257 CO 0.64 0.40 1.56 -0.65 -0.31 0.00 0.00 175.10 176.75 3gjx h PRO 258 N 6.32 -0.30 0.00 4.82 0.11 -1.87 0.76 132.00 141.85 3gjx h PRO 258 Ca -0.43 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3gjx h PRO 258 Cb 1.18 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3gjx h PRO 258 CO 0.73 -0.20 0.00 0.00 -0.21 0.00 0.00 178.00 178.32 3gjx n MET 259 N -5.39 0.40 0.00 1.05 0.00 -1.26 -1.78 117.12 110.13 3gjx n MET 259 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.75 3gjx n MET 259 Cb 0.35 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.07 3gjx n MET 259 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3gjx n PHE 260 N -1.14 0.00 -0.31 3.17 3.72 -0.99 -4.81 117.46 117.10 3gjx n PHE 260 Ca 0.11 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.66 3gjx n PHE 260 Cb 0.10 0.00 0.34 0.00 -0.94 0.00 0.00 39.48 38.98 3gjx n PHE 260 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 3gjx h ARG 261 N 0.00 0.35 0.03 -1.08 2.43 -0.04 -1.73 114.38 114.34 3gjx h ARG 261 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3gjx h ARG 261 Cb 0.02 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3gjx h ARG 261 CO 0.00 0.23 -0.01 -0.91 -1.51 0.00 0.00 179.97 177.76 3gjx h ASN 262 N 0.36 -0.03 -1.00 -3.80 2.35 -1.87 -2.84 115.58 108.74 3gjx h ASN 262 Ca 0.59 -0.40 0.14 0.00 -0.55 0.00 0.00 56.30 56.08 3gjx h ASN 262 Cb 1.19 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 39.48 3gjx h ASN 262 CO -0.57 0.65 0.63 0.58 -1.65 0.00 0.00 177.43 177.07 3gjx h VAL 263 N -0.99 0.87 0.76 2.81 2.07 -1.90 -1.68 116.25 118.19 3gjx h VAL 263 Ca -0.00 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 3gjx h VAL 263 Cb 0.43 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3gjx h VAL 263 CO 0.01 0.17 -0.44 -1.28 0.02 0.00 0.00 177.57 176.05 3gjx h SER 264 N 0.94 -1.09 -0.69 0.57 0.87 -1.40 -1.89 113.55 110.86 3gjx h SER 264 Ca 0.51 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 61.22 3gjx h SER 264 Cb 0.58 0.31 -0.07 0.00 -0.44 0.00 0.00 62.40 62.78 3gjx h SER 264 CO -0.29 -0.69 0.33 0.25 -0.53 0.00 0.00 176.83 175.91 3gjx h LEU 265 N -1.11 0.43 -1.12 2.23 5.85 -1.22 -1.54 115.31 118.82 3gjx h LEU 265 Ca -0.10 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.77 3gjx h LEU 265 Cb 0.89 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.84 3gjx h LEU 265 CO 0.12 0.25 0.60 0.11 -0.34 0.00 0.00 178.44 179.18 3gjx h LYS 266 N 0.57 0.95 0.16 1.25 1.57 -1.06 0.21 116.57 120.22 3gjx h LYS 266 Ca 0.34 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3gjx h LYS 266 Cb 0.36 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3gjx h LYS 266 CO -0.27 0.63 -0.08 0.00 -0.57 0.00 0.00 179.45 179.16 3gjx h LEU 268 N -0.38 0.47 -0.69 0.00 3.38 -0.36 0.75 115.31 118.48 3gjx h LEU 268 Ca -0.02 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3gjx h LEU 268 Cb 0.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3gjx h LEU 268 CO 0.04 0.24 -0.26 0.74 0.09 0.00 0.00 178.44 179.29 3gjx h THR 269 N 0.50 1.27 -0.16 0.22 2.02 -0.32 0.29 112.91 116.74 3gjx h THR 269 Ca 0.41 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.17 3gjx h THR 269 Cb 0.85 1.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3gjx h THR 269 CO -0.15 0.45 -0.09 -0.33 0.37 0.00 0.00 175.52 175.77 3gjx h GLU 270 N 0.63 0.34 -0.96 6.66 4.39 -0.22 -1.27 114.58 124.15 3gjx h GLU 270 Ca 0.08 -0.16 0.02 0.00 0.34 0.00 0.00 59.36 59.65 3gjx h GLU 270 Cb 0.76 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.35 3gjx h GLU 270 CO 0.06 0.67 0.63 0.82 -1.16 0.00 0.00 179.01 180.04 3gjx h ILE 271 N -0.00 1.21 0.00 3.13 2.04 -1.08 -2.01 117.51 120.80 3gjx h ILE 271 Ca 0.03 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 3gjx h ILE 271 Cb 0.58 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 3gjx h ILE 271 CO 0.03 0.23 -0.15 0.00 0.00 0.00 0.00 178.15 178.26 3gjx h ALA 272 N 1.42 1.35 0.00 1.87 0.00 -0.11 -2.53 119.26 121.26 3gjx h ALA 272 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3gjx h ALA 272 Cb -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3gjx h ALA 272 CO -0.10 0.19 0.00 0.78 0.00 0.00 0.00 179.25 180.12 3gjx h GLY 273 N 0.86 0.00 -1.14 0.00 0.00 -0.45 -3.43 103.07 98.91 3gjx h GLY 273 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3gjx h GLY 273 CO 0.02 0.00 0.16 0.14 0.00 0.00 0.00 176.54 176.86 3gjx s VAL 274 N -3.44 2.27 -0.17 4.60 1.01 -0.95 -4.99 120.40 118.73 3gjx s VAL 274 Ca 0.04 0.09 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3gjx s VAL 274 Cb 0.08 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 3gjx s VAL 274 CO 0.58 -0.12 0.56 -0.94 0.00 0.00 0.00 175.10 175.19 3gjx s SER 275 N -2.91 6.67 0.42 3.32 1.04 -1.26 -4.93 113.70 116.05 3gjx s SER 275 Ca 0.66 0.80 0.26 0.00 0.48 0.00 0.00 55.95 58.15 3gjx s SER 275 Cb -0.22 -2.32 1.39 0.00 0.10 0.00 0.00 66.02 64.98 3gjx s SER 275 CO 0.60 -0.17 1.77 1.62 0.98 0.00 0.00 173.24 178.03 3gjx h VAL 276 N 5.03 0.00 0.00 5.02 3.04 -1.94 -3.39 116.25 124.02 3gjx h VAL 276 Ca -0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 3gjx h VAL 276 Cb 1.16 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 3gjx h VAL 276 CO 0.76 0.00 0.00 -0.24 -1.01 0.00 0.00 177.57 177.08 3gjx n SER 277 N -2.44 0.00 -0.10 3.17 2.88 -1.26 -1.26 113.62 114.61 3gjx n SER 277 Ca -0.02 0.39 0.14 0.00 -1.33 0.00 0.00 58.87 58.05 3gjx n SER 277 Cb 0.12 -0.15 0.63 0.00 -0.75 0.00 0.00 64.21 64.06 3gjx n SER 277 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gjx n GLN 278 N -1.86 0.63 -2.61 -1.46 3.00 -1.26 -4.17 117.38 109.66 3gjx n GLN 278 Ca 0.00 -0.19 -0.10 0.00 -0.01 0.00 0.00 57.00 56.70 3gjx n GLN 278 Cb 0.00 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 28.78 3gjx n GLN 278 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3gjx n TYR 279 N -1.01 1.73 -0.23 1.08 4.01 -0.39 -4.87 117.16 117.49 3gjx n TYR 279 Ca 0.14 -2.44 -0.01 0.00 -0.16 0.00 0.00 57.90 55.43 3gjx n TYR 279 Cb 0.27 -0.27 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 3gjx n TYR 279 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3gjx h GLU 280 N 2.64 -0.02 0.00 -0.72 4.39 -1.66 -2.04 114.58 117.17 3gjx h GLU 280 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 3gjx h GLU 280 Cb 1.25 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3gjx h GLU 280 CO 0.45 -0.02 0.00 0.39 -1.16 0.00 0.00 179.01 178.67 3gjx n GLU 281 N -5.46 0.00 -0.23 2.33 -0.58 -1.26 -1.79 120.64 113.65 3gjx n GLU 281 Ca 0.08 0.63 -0.07 0.00 -0.42 0.00 0.00 57.16 57.38 3gjx n GLU 281 Cb 0.35 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 29.92 3gjx n GLU 281 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 3gjx h GLN 282 N 0.00 -0.18 -0.51 3.49 7.50 -1.85 -0.44 115.11 123.12 3gjx h GLN 282 Ca 0.00 0.01 0.10 0.00 0.50 0.00 0.00 58.65 59.27 3gjx h GLN 282 Cb 0.00 0.04 -0.09 0.00 0.05 0.00 0.00 27.48 27.48 3gjx h GLN 282 CO 0.00 -0.12 -0.06 0.74 -1.50 0.00 0.00 178.83 177.89 3gjx h PHE 283 N -0.19 -0.15 -0.64 2.96 0.04 -1.30 1.17 116.94 118.83 3gjx h PHE 283 Ca 0.20 0.04 0.05 0.00 2.80 0.00 0.00 57.97 61.07 3gjx h PHE 283 Cb 0.56 0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.80 3gjx h PHE 283 CO -0.73 -0.17 0.35 1.49 -0.60 0.00 0.00 178.31 178.66 3gjx h GLU 284 N 0.06 0.64 0.05 1.51 4.81 -0.32 0.74 114.58 122.07 3gjx h GLU 284 Ca 0.26 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3gjx h GLU 284 Cb 0.39 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3gjx h GLU 284 CO -0.48 0.43 -0.02 1.15 -0.73 0.00 0.00 179.01 179.35 3gjx h THR 285 N 0.66 1.11 -0.66 0.32 2.02 0.35 0.10 112.91 116.81 3gjx h THR 285 Ca 0.28 -0.51 0.13 0.00 0.77 0.00 0.00 66.41 67.08 3gjx h THR 285 Cb 0.16 1.44 -0.13 0.00 -1.74 0.00 0.00 68.15 67.89 3gjx h THR 285 CO -0.17 0.13 -0.24 0.25 0.37 0.00 0.00 175.52 175.86 3gjx h LEU 286 N -0.29 -0.86 -0.32 2.58 5.85 0.17 -0.02 115.31 122.43 3gjx h LEU 286 Ca -0.01 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3gjx h LEU 286 Cb 0.26 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 3gjx h LEU 286 CO 0.01 -0.26 0.16 0.15 -0.34 0.00 0.00 178.44 178.16 3gjx h PHE 287 N -0.06 0.45 0.43 1.25 3.57 -0.59 -1.41 116.94 120.58 3gjx h PHE 287 Ca 0.30 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3gjx h PHE 287 Cb 0.53 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3gjx h PHE 287 CO -0.59 0.39 -0.32 1.15 -2.23 0.00 0.00 178.31 176.71 3gjx h THR 288 N 0.38 0.34 -0.59 4.41 2.02 0.17 -2.25 112.91 117.39 3gjx h THR 288 Ca 0.11 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.29 3gjx h THR 288 Cb 0.10 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3gjx h THR 288 CO -0.01 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 176.19 3gjx h LEU 289 N -0.74 0.68 -0.36 2.58 4.07 -1.04 -2.80 115.31 117.71 3gjx h LEU 289 Ca -0.04 -0.02 0.03 0.00 0.08 0.00 0.00 57.88 57.92 3gjx h LEU 289 Cb 0.63 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 3gjx h LEU 289 CO 0.01 0.50 0.17 0.74 -1.08 0.00 0.00 178.44 178.78 3gjx h THR 290 N 0.80 0.97 -0.36 0.22 2.02 -1.13 -1.65 112.91 113.78 3gjx h THR 290 Ca 0.22 -0.12 0.03 0.00 0.77 0.00 0.00 66.41 67.31 3gjx h THR 290 Cb -0.08 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 66.88 3gjx h THR 290 CO -0.05 0.06 0.16 0.24 0.37 0.00 0.00 175.52 176.31 3gjx h MET 291 N 0.35 0.32 0.31 6.66 2.86 -1.19 0.16 114.93 124.40 3gjx h MET 291 Ca 0.15 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3gjx h MET 291 Cb 0.07 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3gjx h MET 291 CO -0.11 0.21 -0.20 0.00 1.06 0.00 0.00 176.91 177.87 3gjx h MET 292 N 0.33 -0.48 -0.39 1.72 3.00 -1.20 0.37 114.93 118.27 3gjx h MET 292 Ca 0.16 0.03 0.07 0.00 0.00 0.00 0.00 59.70 59.96 3gjx h MET 292 Cb 0.10 0.11 -0.02 0.00 0.00 0.00 0.00 31.60 31.79 3gjx h MET 292 CO -0.14 -0.32 0.27 0.37 0.00 0.00 0.00 176.91 177.10 3gjx h GLN 293 N -0.49 0.21 -0.03 -0.10 5.75 -1.11 -2.31 115.11 117.03 3gjx h GLN 293 Ca -0.03 -0.01 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 3gjx h GLN 293 Cb 0.41 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.92 3gjx h GLN 293 CO 0.03 0.14 -0.20 1.25 -2.65 0.00 0.00 178.83 177.40 3gjx h LEU 294 N 0.22 0.23 -2.20 -2.39 5.85 0.09 -2.68 115.31 114.42 3gjx h LEU 294 Ca 0.18 -0.69 0.01 0.00 0.84 0.00 0.00 57.88 58.21 3gjx h LEU 294 Cb 0.43 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 3gjx h LEU 294 CO -0.03 0.88 0.27 0.11 -0.34 0.00 0.00 178.44 179.33 3gjx h LYS 295 N -0.41 0.00 0.05 1.25 1.57 0.27 0.17 116.57 119.47 3gjx h LYS 295 Ca -0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.44 3gjx h LYS 295 Cb 0.89 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.16 3gjx h LYS 295 CO 0.04 0.00 -1.86 1.04 -0.57 0.00 0.00 179.45 178.10 3gjx n GLN 296 N -3.01 0.69 -0.05 3.15 6.02 -1.11 -4.06 117.38 119.00 3gjx n GLN 296 Ca -0.02 0.27 -0.15 0.00 -0.01 0.00 0.00 57.00 57.09 3gjx n GLN 296 Cb 0.33 -1.75 -0.07 0.00 1.02 0.00 0.00 30.24 29.77 3gjx n GLN 296 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3gjx h MET 297 N 0.03 0.60 -4.21 -1.09 2.86 -0.48 -3.41 114.93 109.23 3gjx h MET 297 Ca -0.36 -0.43 -0.61 0.00 -2.06 0.00 0.00 59.70 56.25 3gjx h MET 297 Cb 2.03 0.07 -0.39 0.00 0.06 0.00 0.00 31.60 33.37 3gjx h MET 297 CO 0.08 1.05 -0.77 -0.51 1.06 0.00 0.00 176.91 177.82 3gjx s LEU 298 N -8.69 2.83 0.22 1.22 1.43 0.34 -5.10 118.68 110.92 3gjx s LEU 298 Ca -0.12 -1.43 -0.32 0.00 -1.03 0.00 0.00 54.13 51.23 3gjx s LEU 298 Cb 0.07 -1.17 -0.13 0.00 0.03 0.00 0.00 46.19 44.99 3gjx s LEU 298 CO 0.83 -0.30 1.46 -2.65 0.23 0.00 0.00 176.35 175.92 3gjx n PRO 299 N 4.65 2.07 0.00 1.29 -0.02 -1.26 -4.46 135.00 137.28 3gjx n PRO 299 Ca -0.07 0.74 0.02 0.00 -2.02 0.00 0.00 63.50 62.17 3gjx n PRO 299 Cb 0.43 -2.43 0.13 0.00 -0.02 0.00 0.00 33.50 31.61 3gjx n PRO 299 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3gjx n LEU 300 N 2.48 0.00 -0.00 2.45 4.32 -1.26 -0.88 117.00 124.10 3gjx n LEU 300 Ca 0.13 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.17 3gjx n LEU 300 Cb 0.31 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.04 3gjx n LEU 300 CO 0.63 0.00 -0.23 -0.46 -1.22 0.00 0.00 177.39 176.11 3gjx n ASN 301 N -0.71 1.21 -4.75 -1.43 6.94 -1.26 -5.02 115.26 110.24 3gjx n ASN 301 Ca 0.03 -0.48 -0.41 0.00 -0.02 0.00 0.00 54.58 53.69 3gjx n ASN 301 Cb 0.01 1.17 -0.01 0.00 -2.36 0.00 0.00 39.78 38.59 3gjx n ASN 301 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3gjx s THR 302 N -2.23 2.05 -0.87 5.53 -4.23 -0.06 -4.91 115.64 110.93 3gjx s THR 302 Ca 0.01 0.04 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 3gjx s THR 302 Cb 0.07 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.92 3gjx s THR 302 CO 0.42 0.01 1.42 0.21 -0.54 0.00 0.00 174.62 176.14 3gjx s ASN 303 N 0.48 6.21 0.16 3.99 3.84 -1.26 -4.87 114.94 123.49 3gjx s ASN 303 Ca 0.63 -0.87 -0.16 0.00 0.21 0.00 0.00 52.86 52.67 3gjx s ASN 303 Cb -0.48 -2.56 0.05 0.00 -0.55 0.00 0.00 41.25 37.71 3gjx s ASN 303 CO 0.49 -1.77 1.79 0.40 -2.79 0.00 0.00 177.10 175.21 3gjx h ILE 304 N 6.49 1.01 -0.87 -5.21 1.08 -1.91 0.77 117.51 118.86 3gjx h ILE 304 Ca -0.04 -0.15 0.23 0.00 -0.39 0.00 0.00 64.86 64.50 3gjx h ILE 304 Cb 1.04 0.54 -0.13 0.00 -3.07 0.00 0.00 36.82 35.19 3gjx h ILE 304 CO 1.34 0.08 0.29 -0.09 -0.69 0.00 0.00 178.15 179.08 3gjx h ARG 305 N 0.43 0.27 0.01 2.37 2.43 -1.84 0.86 114.38 118.91 3gjx h ARG 305 Ca 0.16 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3gjx h ARG 305 Cb 0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3gjx h ARG 305 CO -0.10 0.18 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.47 3gjx h LEU 306 N 0.28 -0.01 -0.64 3.80 3.38 -1.70 0.03 115.31 120.45 3gjx h LEU 306 Ca 0.55 -0.59 0.13 0.00 0.09 0.00 0.00 57.88 58.06 3gjx h LEU 306 Cb 1.08 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.74 3gjx h LEU 306 CO -0.60 0.59 0.12 0.00 0.09 0.00 0.00 178.44 178.64 3gjx h ALA 307 N 0.38 0.76 0.18 1.53 0.00 0.63 0.11 119.26 122.87 3gjx h ALA 307 Ca -0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gjx h ALA 307 Cb 0.59 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gjx h ALA 307 CO 0.00 -0.33 -0.09 -0.92 0.00 0.00 0.00 179.25 177.92 3gjx h TYR 308 N 0.24 -0.23 -0.68 0.00 3.20 0.66 0.37 116.97 120.54 3gjx h TYR 308 Ca 0.34 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.31 3gjx h TYR 308 Cb 0.54 0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.81 3gjx h TYR 308 CO -0.27 -0.01 0.29 1.03 -1.64 0.00 0.00 178.16 177.56 3gjx h SER 309 N -0.42 0.33 -0.70 -2.11 0.87 0.20 -0.18 113.55 111.54 3gjx h SER 309 Ca -0.03 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 3gjx h SER 309 Cb 0.32 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 3gjx h SER 309 CO 0.04 0.18 0.00 0.59 -0.53 0.00 0.00 176.83 177.11 3gjx n ASN 310 N -4.94 4.23 -4.00 6.23 3.02 0.28 -4.98 115.26 115.11 3gjx n ASN 310 Ca 0.11 -2.15 -0.30 0.00 -0.03 0.00 0.00 54.58 52.20 3gjx n ASN 310 Cb 0.30 -0.52 0.21 0.00 -0.61 0.00 0.00 39.78 39.16 3gjx n ASN 310 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3gjx s GLY 311 N -0.97 1.73 0.00 7.41 0.00 0.13 -5.01 107.32 110.61 3gjx s GLY 311 Ca 0.50 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.05 3gjx s GLY 311 CO 0.30 -0.34 0.00 0.28 0.00 0.00 0.00 173.10 173.34 3gjx n LYS 312 N -4.08 3.19 0.00 2.90 5.02 -1.26 -4.95 118.16 118.99 3gjx n LYS 312 Ca 0.15 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.57 3gjx n LYS 312 Cb 0.59 0.00 0.65 0.00 -0.02 0.00 0.00 35.03 36.25 3gjx n LYS 312 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3gjx n ASP 313 N -0.36 0.00 -0.07 4.39 2.03 -1.26 -2.72 116.55 118.56 3gjx n ASP 313 Ca 0.00 0.02 -0.08 0.00 0.52 0.00 0.00 54.79 55.25 3gjx n ASP 313 Cb 0.00 -0.33 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 3gjx n ASP 313 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3gjx n ASP 314 N -1.33 2.41 0.15 1.67 8.00 -1.26 -4.01 116.55 122.18 3gjx n ASP 314 Ca 0.11 -0.04 0.11 0.00 0.71 0.00 0.00 54.79 55.69 3gjx n ASP 314 Cb 0.23 0.33 0.07 0.00 -0.02 0.00 0.00 41.12 41.73 3gjx n ASP 314 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3gjx h GLU 315 N 0.00 0.00 -0.14 -1.24 4.11 -1.96 -2.78 114.58 112.57 3gjx h GLU 315 Ca -0.33 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.92 3gjx h GLU 315 Cb 1.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.90 3gjx h GLU 315 CO -0.01 0.02 -0.63 1.96 0.07 0.00 0.00 179.01 180.41 3gjx h GLN 316 N 0.00 0.68 0.00 1.06 4.20 -1.74 -1.76 115.11 117.55 3gjx h GLN 316 Ca -0.00 -0.54 -0.07 0.00 0.06 0.00 0.00 58.65 58.09 3gjx h GLN 316 Cb 1.02 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3gjx h GLN 316 CO 0.00 1.16 -0.35 -0.91 -0.67 0.00 0.00 178.83 178.06 3gjx h ASN 317 N 0.35 0.00 -0.08 1.46 2.35 -1.69 -2.18 115.58 115.78 3gjx h ASN 317 Ca -0.04 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3gjx h ASN 317 Cb 1.27 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 3gjx h ASN 317 CO 0.13 0.35 -0.08 0.15 -1.65 0.00 0.00 177.43 176.33 3gjx h PHE 318 N 0.00 0.24 0.11 1.19 3.57 -1.41 -1.35 116.94 119.30 3gjx h PHE 318 Ca -0.00 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.44 3gjx h PHE 318 Cb 0.76 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 3gjx h PHE 318 CO 0.00 0.63 -0.29 0.82 -2.23 0.00 0.00 178.31 177.24 3gjx h ILE 319 N -0.22 0.37 -0.11 1.41 2.04 -1.20 0.42 117.51 120.23 3gjx h ILE 319 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3gjx h ILE 319 Cb 0.59 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3gjx h ILE 319 CO 0.02 0.00 -0.24 -0.61 0.00 0.00 0.00 178.15 177.32 3gjx h GLN 320 N -0.50 -0.31 -0.89 2.37 4.15 -1.45 0.01 115.11 118.50 3gjx h GLN 320 Ca 0.03 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.60 3gjx h GLN 320 Cb 0.53 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.22 3gjx h GLN 320 CO -0.18 -0.21 0.57 -0.91 -1.93 0.00 0.00 178.83 176.18 3gjx h ASN 321 N -0.32 0.70 -0.84 -0.69 -0.26 -0.88 0.19 115.58 113.49 3gjx h ASN 321 Ca 0.09 0.04 -0.03 0.00 -0.56 0.00 0.00 56.30 55.84 3gjx h ASN 321 Cb 0.46 -0.11 -0.04 0.00 -1.06 0.00 0.00 38.32 37.57 3gjx h ASN 321 CO -0.29 0.38 0.42 0.25 -1.06 0.00 0.00 177.43 177.13 3gjx h LEU 322 N 0.76 1.09 -1.31 1.61 5.85 0.13 0.70 115.31 124.14 3gjx h LEU 322 Ca 0.44 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.97 3gjx h LEU 322 Cb 0.61 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3gjx h LEU 322 CO -0.20 0.91 -0.30 -1.28 -0.34 0.00 0.00 178.44 177.23 3gjx h SER 323 N 1.20 0.00 0.51 1.25 0.87 0.11 -1.07 113.55 116.41 3gjx h SER 323 Ca 0.29 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.56 3gjx h SER 323 Cb 0.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3gjx h SER 323 CO -0.04 0.30 -1.37 -0.07 -0.53 0.00 0.00 176.83 175.13 3gjx h LEU 324 N 0.00 0.51 0.35 2.23 3.38 -0.29 -2.69 115.31 118.80 3gjx h LEU 324 Ca -0.00 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3gjx h LEU 324 Cb 0.66 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3gjx h LEU 324 CO 0.04 1.46 -0.17 0.15 0.09 0.00 0.00 178.44 180.01 3gjx h PHE 325 N 0.09 -0.44 -0.17 1.13 3.57 -0.59 -2.50 116.94 118.02 3gjx h PHE 325 Ca -0.19 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.35 3gjx h PHE 325 Cb 2.03 0.14 -0.05 0.00 2.79 0.00 0.00 35.95 40.86 3gjx h PHE 325 CO 0.08 -0.12 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.82 3gjx h LEU 326 N -0.77 -0.46 -0.36 0.59 3.38 -1.32 -1.74 115.31 114.63 3gjx h LEU 326 Ca -0.05 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3gjx h LEU 326 Cb 0.51 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 3gjx h LEU 326 CO 0.08 -0.18 0.21 0.00 0.09 0.00 0.00 178.44 178.64 3gjx h THR 328 N 0.47 1.23 0.02 0.00 2.02 -1.27 -0.50 112.91 114.88 3gjx h THR 328 Ca 0.13 -0.64 -0.11 0.00 0.77 0.00 0.00 66.41 66.56 3gjx h THR 328 Cb 0.02 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3gjx h THR 328 CO -0.02 0.27 -0.43 0.15 0.37 0.00 0.00 175.52 175.86 3gjx h PHE 329 N 1.03 0.39 0.00 3.16 3.57 -1.09 -1.50 116.94 122.50 3gjx h PHE 329 Ca 0.25 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3gjx h PHE 329 Cb 0.10 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.80 3gjx h PHE 329 CO 0.01 1.07 -0.13 -0.07 -2.23 0.00 0.00 178.31 176.96 3gjx h LEU 330 N -0.40 0.00 0.16 0.59 3.38 -1.14 0.21 115.31 118.11 3gjx h LEU 330 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gjx h LEU 330 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3gjx h LEU 330 CO 0.08 0.13 -0.08 0.50 0.09 0.00 0.00 178.44 179.16 3gjx h LYS 331 N 0.00 -0.20 0.22 1.13 3.64 -0.99 -2.41 116.57 117.96 3gjx h LYS 331 Ca -0.00 0.01 -0.33 0.00 -1.27 0.00 0.00 60.65 59.07 3gjx h LYS 331 Cb 0.23 0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3gjx h LYS 331 CO 0.02 0.22 -1.47 1.49 -2.27 0.00 0.00 179.45 177.44 3gjx h GLU 332 N -0.74 0.47 -0.17 1.90 4.57 -0.94 -3.36 114.58 116.32 3gjx h GLU 332 Ca -0.02 -0.81 0.00 0.00 -1.18 0.00 0.00 59.36 57.35 3gjx h GLU 332 Cb 0.52 0.30 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3gjx h GLU 332 CO 0.04 1.38 0.00 0.72 -1.18 0.00 0.00 179.01 179.97 3gjx n HIS 333 N -3.66 0.57 0.08 0.92 -0.00 0.70 -4.78 115.22 109.05 3gjx n HIS 333 Ca -0.16 -0.88 -0.13 0.00 -0.00 0.00 0.00 57.72 56.54 3gjx n HIS 333 Cb 1.09 -0.23 -0.06 0.00 -0.00 0.00 0.00 29.99 30.78 3gjx n HIS 333 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 3gjx h GLY 334 N 1.15 -0.73 2.00 -1.41 0.00 -1.43 -1.80 103.07 100.85 3gjx h GLY 334 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3gjx h GLY 334 CO 0.13 -0.25 0.00 0.06 0.00 0.00 0.00 176.54 176.48 3gjx h GLN 335 N -0.58 0.00 0.00 4.80 3.07 -1.88 -0.59 115.11 119.93 3gjx h GLN 335 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 58.65 58.67 3gjx h GLN 335 Cb 0.64 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.18 3gjx h GLN 335 CO -0.27 0.00 -0.55 1.25 0.09 0.00 0.00 178.83 179.35 3gjx h LEU 336 N 0.00 0.00 0.00 0.06 5.85 -1.69 -0.81 115.31 118.71 3gjx h LEU 336 Ca 0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3gjx h LEU 336 Cb 0.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3gjx h LEU 336 CO 0.00 0.55 -0.61 -0.07 -0.34 0.00 0.00 178.44 177.97 3gjx h LEU 337 N 0.00 0.00 0.03 2.25 3.38 -0.90 -3.29 115.31 116.78 3gjx h LEU 337 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gjx h LEU 337 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3gjx h LEU 337 CO 0.07 0.59 -0.01 -0.33 0.09 0.00 0.00 178.44 178.84 3gjx h GLU 338 N 0.00 -0.04 0.00 1.13 5.08 -1.20 -3.35 114.58 116.20 3gjx h GLU 338 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3gjx h GLU 338 Cb 1.46 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.71 3gjx h GLU 338 CO 0.08 0.62 -0.13 1.57 -1.00 0.00 0.00 179.01 180.15 3gjx h LYS 339 N -0.75 0.00 -5.65 2.33 2.10 -1.28 -3.41 116.57 109.92 3gjx h LYS 339 Ca -0.00 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.05 3gjx h LYS 339 Cb 0.68 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.92 3gjx h LYS 339 CO 0.01 0.13 -0.29 1.03 -2.00 0.00 0.00 179.45 178.33 3gjx s ARG 340 N -4.01 4.12 0.18 0.07 0.52 -1.24 -4.99 118.95 113.60 3gjx s ARG 340 Ca -0.02 0.19 0.13 0.00 -0.52 0.00 0.00 55.73 55.51 3gjx s ARG 340 Cb 0.12 -3.36 -0.06 0.00 0.52 0.00 0.00 34.95 32.17 3gjx s ARG 340 CO 0.59 0.37 1.23 1.25 0.02 0.00 0.00 175.30 178.76 3gjx h LEU 341 N 6.11 0.00 0.00 2.53 6.46 -1.86 -3.26 115.31 125.28 3gjx h LEU 341 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 3gjx h LEU 341 Cb 1.18 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3gjx h LEU 341 CO 0.71 0.66 0.00 -0.46 -0.62 0.00 0.00 178.44 178.73 3gjx n ASN 342 N -3.17 0.00 -0.11 1.25 6.94 -1.26 -3.14 115.26 115.77 3gjx n ASN 342 Ca -0.02 -0.51 0.02 0.00 -0.02 0.00 0.00 54.58 54.05 3gjx n ASN 342 Cb 0.82 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 38.12 3gjx n ASN 342 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3gjx n LEU 343 N -1.13 0.95 0.27 -4.53 4.77 -1.23 -4.68 117.00 111.41 3gjx n LEU 343 Ca 0.17 -0.83 0.16 0.00 -0.03 0.00 0.00 56.01 55.48 3gjx n LEU 343 Cb 0.15 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 41.90 3gjx n LEU 343 CO 0.18 0.21 0.97 0.03 -1.33 0.00 0.00 177.39 177.44 3gjx h ARG 344 N 0.53 0.00 0.12 3.23 3.08 -1.65 -2.56 114.38 117.13 3gjx h ARG 344 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gjx h ARG 344 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3gjx h ARG 344 CO 0.00 0.04 -0.06 1.49 -1.07 0.00 0.00 179.97 180.38 3gjx h GLU 345 N 0.00 -0.16 0.00 0.04 4.81 -1.83 -2.57 114.58 114.87 3gjx h GLU 345 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3gjx h GLU 345 Cb 0.53 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 3gjx h GLU 345 CO 0.01 0.29 -0.04 0.00 -0.73 0.00 0.00 179.01 178.54 3gjx h ALA 346 N 0.06 1.34 -0.27 2.92 0.00 -1.87 -1.04 119.26 120.40 3gjx h ALA 346 Ca -0.02 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3gjx h ALA 346 Cb 0.52 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gjx h ALA 346 CO 0.03 0.04 -0.43 1.25 0.00 0.00 0.00 179.25 180.14 3gjx h LEU 347 N 0.00 0.84 -1.03 0.00 5.85 -1.38 -1.39 115.31 118.21 3gjx h LEU 347 Ca -0.00 -0.52 -0.09 0.00 0.84 0.00 0.00 57.88 58.10 3gjx h LEU 347 Cb 0.12 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3gjx h LEU 347 CO 0.00 1.20 -0.34 0.24 -0.34 0.00 0.00 178.44 179.21 3gjx h MET 348 N 0.51 0.27 -0.38 1.25 2.86 -0.83 -1.10 114.93 117.52 3gjx h MET 348 Ca 0.02 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 3gjx h MET 348 Cb 1.03 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 3gjx h MET 348 CO 0.10 0.58 -0.12 0.93 1.06 0.00 0.00 176.91 179.46 3gjx h GLU 349 N 0.23 0.74 -0.57 1.72 5.08 -1.14 -1.98 114.58 118.67 3gjx h GLU 349 Ca 0.03 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 3gjx h GLU 349 Cb 0.72 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3gjx h GLU 349 CO 0.05 0.90 -0.01 0.00 -1.00 0.00 0.00 179.01 178.96 3gjx h ALA 350 N 0.82 0.76 -0.06 3.43 0.00 -1.07 -1.22 119.26 121.92 3gjx h ALA 350 Ca 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 3gjx h ALA 350 Cb 0.65 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gjx h ALA 350 CO 0.04 0.60 -0.30 -0.07 0.00 0.00 0.00 179.25 179.53 3gjx h LEU 351 N 0.89 0.11 -0.29 0.00 3.38 -1.20 -1.11 115.31 117.09 3gjx h LEU 351 Ca 0.16 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3gjx h LEU 351 Cb 0.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3gjx h LEU 351 CO 0.03 0.41 -0.09 -0.74 0.09 0.00 0.00 178.44 178.14 3gjx h HIS 352 N 0.10 0.65 -0.29 1.13 2.76 -0.88 -2.24 115.15 116.38 3gjx h HIS 352 Ca 0.01 -0.15 0.02 0.00 -2.20 0.00 0.00 60.37 58.06 3gjx h HIS 352 Cb 0.59 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 3gjx h HIS 352 CO 0.00 0.78 0.13 1.88 -1.30 0.00 0.00 177.93 179.43 3gjx h TYR 353 N 0.33 0.24 -0.98 5.26 0.05 -0.87 -0.76 116.97 120.24 3gjx h TYR 353 Ca 0.07 0.01 0.24 0.00 0.05 0.00 0.00 58.73 59.10 3gjx h TYR 353 Cb 0.59 -0.06 -0.12 0.00 1.01 0.00 0.00 36.73 38.14 3gjx h TYR 353 CO 0.05 0.12 0.56 0.52 -1.05 0.00 0.00 178.16 178.36 3gjx h MET 354 N 0.28 0.53 -0.22 4.88 2.86 -1.10 0.14 114.93 122.30 3gjx h MET 354 Ca 0.12 -0.03 -0.20 0.00 -2.06 0.00 0.00 59.70 57.53 3gjx h MET 354 Cb 0.06 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 31.60 3gjx h MET 354 CO -0.10 0.35 -0.64 -0.07 1.06 0.00 0.00 176.91 177.51 3gjx h LEU 355 N 0.55 0.95 0.35 1.22 3.38 -0.64 -1.09 115.31 120.03 3gjx h LEU 355 Ca 0.63 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3gjx h LEU 355 Cb 1.19 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3gjx h LEU 355 CO -0.48 1.36 -0.17 -0.07 0.09 0.00 0.00 178.44 179.17 3gjx h LEU 356 N 0.59 -0.40 -2.47 1.67 3.38 -0.27 -3.08 115.31 114.73 3gjx h LEU 356 Ca -0.02 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3gjx h LEU 356 Cb 1.26 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 3gjx h LEU 356 CO 0.14 -0.06 0.09 1.62 0.09 0.00 0.00 178.44 180.31 3gjx h VAL 357 N -0.77 0.37 0.00 1.22 3.04 -0.80 0.18 116.25 119.49 3gjx h VAL 357 Ca -0.05 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 3gjx h VAL 357 Cb 0.51 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3gjx h VAL 357 CO 0.08 0.00 0.00 -1.20 -1.01 0.00 0.00 177.57 175.44 3gjx n SER 358 N -3.62 0.00 -0.27 3.17 7.64 -0.41 -2.47 113.62 117.66 3gjx n SER 358 Ca -0.01 0.13 0.11 0.00 1.01 0.00 0.00 58.87 60.11 3gjx n SER 358 Cb 0.18 -0.36 0.04 0.00 -1.01 0.00 0.00 64.21 63.06 3gjx n SER 358 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gjx n GLU 359 N -1.36 0.69 -1.66 1.43 1.02 0.63 -4.92 120.64 116.47 3gjx n GLU 359 Ca 0.10 -0.54 -0.47 0.00 -0.02 0.00 0.00 57.16 56.23 3gjx n GLU 359 Cb 0.22 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.11 3gjx n GLU 359 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gjx n VAL 360 N -0.69 0.01 -1.87 2.62 0.31 -1.03 -4.70 118.33 112.98 3gjx n VAL 360 Ca 0.08 -0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.03 3gjx n VAL 360 Cb 0.40 -1.44 -0.01 0.00 -0.91 0.00 0.00 33.84 31.87 3gjx n VAL 360 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3gjx n GLU 361 N 3.34 4.25 -3.69 5.55 1.02 -1.26 -4.73 120.64 125.11 3gjx n GLU 361 Ca 0.17 -3.22 -0.23 0.00 -0.02 0.00 0.00 57.16 53.87 3gjx n GLU 361 Cb 0.27 -2.58 -0.17 0.00 -0.02 0.00 0.00 31.44 28.94 3gjx n GLU 361 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3gjx s GLU 362 N -0.99 0.23 0.24 3.49 2.56 -1.26 -5.07 118.70 117.91 3gjx s GLU 362 Ca 0.56 0.11 -0.04 0.00 0.00 0.00 0.00 54.97 55.60 3gjx s GLU 362 Cb 0.21 -1.11 0.41 0.00 2.00 0.00 0.00 34.13 35.65 3gjx s GLU 362 CO -0.11 -0.43 1.79 1.15 -0.56 0.00 0.00 175.26 177.10 3gjx h THR 363 N 6.41 0.86 0.00 -1.70 2.02 -1.99 -1.81 112.91 116.70 3gjx h THR 363 Ca -0.15 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 3gjx h THR 363 Cb 1.13 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3gjx h THR 363 CO 0.23 0.13 -0.42 -0.33 0.37 0.00 0.00 175.52 175.51 3gjx h GLU 364 N 0.72 0.00 -0.09 6.66 4.39 -1.98 -1.05 114.58 123.23 3gjx h GLU 364 Ca 0.40 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.86 3gjx h GLU 364 Cb 0.43 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 3gjx h GLU 364 CO -0.28 0.42 -0.88 0.82 -1.16 0.00 0.00 179.01 177.93 3gjx h ILE 365 N 0.00 1.28 -0.51 3.13 2.04 -1.75 -3.10 117.51 118.61 3gjx h ILE 365 Ca -0.00 -2.08 -0.08 0.00 1.00 0.00 0.00 64.86 63.69 3gjx h ILE 365 Cb 0.90 2.14 -0.02 0.00 -0.74 0.00 0.00 36.82 39.09 3gjx h ILE 365 CO 0.05 0.65 0.00 0.15 0.00 0.00 0.00 178.15 179.01 3gjx h PHE 366 N 0.48 0.92 -0.05 1.37 3.04 -1.05 -2.42 116.94 119.23 3gjx h PHE 366 Ca -0.08 -0.14 -0.06 0.00 3.98 0.00 0.00 57.97 61.67 3gjx h PHE 366 Cb 1.52 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.77 3gjx h PHE 366 CO 0.09 0.84 -0.24 0.87 -2.02 0.00 0.00 178.31 177.85 3gjx h LYS 367 N 0.80 0.08 -0.03 1.11 1.57 -1.24 0.19 116.57 119.06 3gjx h LYS 367 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3gjx h LYS 367 Cb 0.48 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3gjx h LYS 367 CO 0.02 0.33 -0.01 0.82 -0.57 0.00 0.00 179.45 180.04 3gjx h ILE 368 N 0.08 1.32 -0.47 1.86 2.04 -1.37 -1.50 117.51 119.48 3gjx h ILE 368 Ca 0.01 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 3gjx h ILE 368 Cb 0.48 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3gjx h ILE 368 CO 0.03 0.27 0.24 0.00 0.00 0.00 0.00 178.15 178.69 3gjx h LEU 370 N 0.62 0.56 -0.85 0.00 5.85 -0.61 -0.95 115.31 119.93 3gjx h LEU 370 Ca 0.16 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gjx h LEU 370 Cb 0.10 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3gjx h LEU 370 CO -0.02 0.34 0.53 -0.08 -0.34 0.00 0.00 178.44 178.87 3gjx h GLU 371 N 0.63 1.14 -0.05 1.25 4.81 -0.82 -1.46 114.58 120.08 3gjx h GLU 371 Ca 0.32 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3gjx h GLU 371 Cb 0.43 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 3gjx h GLU 371 CO -0.11 0.79 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.00 3gjx h TYR 372 N 1.16 0.13 -0.90 0.92 3.20 -1.16 -2.55 116.97 117.76 3gjx h TYR 372 Ca 0.31 -0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.20 3gjx h TYR 372 Cb -0.07 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.10 3gjx h TYR 372 CO -0.01 0.55 0.57 -1.49 -1.64 0.00 0.00 178.16 176.14 3gjx h TRP 373 N -0.32 1.05 -0.66 -3.82 -0.00 -1.12 0.25 115.95 111.32 3gjx h TRP 373 Ca 0.01 0.03 -0.03 0.00 -0.00 0.00 0.00 58.89 58.90 3gjx h TRP 373 Cb 0.52 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.31 3gjx h TRP 373 CO 0.08 0.53 0.29 -0.97 -0.00 0.00 0.00 178.44 178.37 3gjx h ASN 374 N 1.03 0.87 0.09 -3.49 -0.73 -1.33 -1.08 115.58 110.94 3gjx h ASN 374 Ca 0.39 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 58.45 3gjx h ASN 374 Cb 0.18 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.55 3gjx h ASN 374 CO -0.18 0.76 -0.04 -0.74 -0.37 0.00 0.00 177.43 176.86 3gjx h HIS 375 N 0.95 -0.12 0.09 0.67 2.76 -0.29 -0.35 115.15 118.85 3gjx h HIS 375 Ca 0.23 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.41 3gjx h HIS 375 Cb 0.14 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 29.11 3gjx h HIS 375 CO 0.01 0.20 -0.22 1.25 -1.30 0.00 0.00 177.93 177.87 3gjx h LEU 376 N -0.43 -0.62 -0.38 0.26 5.85 -0.50 -0.33 115.31 119.17 3gjx h LEU 376 Ca -0.01 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3gjx h LEU 376 Cb 0.36 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 3gjx h LEU 376 CO 0.02 -0.30 0.17 0.00 -0.34 0.00 0.00 178.44 177.99 3gjx h ALA 377 N 0.42 0.46 -0.84 1.25 0.00 -1.22 0.65 119.26 119.98 3gjx h ALA 377 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3gjx h ALA 377 Cb 0.43 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3gjx h ALA 377 CO -0.14 -0.20 0.56 0.00 0.00 0.00 0.00 179.25 179.46 3gjx h ALA 378 N 1.21 1.45 -0.39 0.00 0.00 -0.85 0.12 119.26 120.80 3gjx h ALA 378 Ca 0.16 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3gjx h ALA 378 Cb 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3gjx h ALA 378 CO -0.13 0.49 -0.20 0.93 0.00 0.00 0.00 179.25 180.33 3gjx h GLU 379 N 1.09 0.83 0.00 0.00 4.39 -0.13 -0.71 114.58 120.05 3gjx h GLU 379 Ca 0.32 -0.37 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 3gjx h GLU 379 Cb -0.04 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3gjx h GLU 379 CO -0.09 1.00 -0.46 -0.07 -1.16 0.00 0.00 179.01 178.24 3gjx h LEU 380 N 0.64 0.00 -0.28 1.33 3.38 -0.60 -2.26 115.31 117.52 3gjx h LEU 380 Ca 0.09 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 3gjx h LEU 380 Cb 0.76 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3gjx h LEU 380 CO 0.06 0.46 -0.85 0.22 0.09 0.00 0.00 178.44 178.42 3gjx h TYR 381 N 0.00 0.55 -0.07 1.13 3.20 -0.65 -2.06 116.97 119.07 3gjx h TYR 381 Ca -0.00 -0.28 -0.10 0.00 3.14 0.00 0.00 58.73 61.49 3gjx h TYR 381 Cb 1.13 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3gjx h TYR 381 CO 0.00 1.07 -0.42 0.00 -1.64 0.00 0.00 178.16 177.17 3gjx h ARG 382 N 0.24 0.16 -0.40 1.82 3.08 -0.98 -2.60 114.38 115.70 3gjx h ARG 382 Ca -0.06 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.87 3gjx h ARG 382 Cb 1.46 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.49 3gjx h ARG 382 CO 0.14 0.55 0.04 1.49 -1.07 0.00 0.00 179.97 181.13 3gjx h GLU 383 N 0.14 0.68 -1.30 0.04 4.81 -1.35 -3.45 114.58 114.15 3gjx h GLU 383 Ca 0.01 -0.20 0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3gjx h GLU 383 Cb 0.80 -0.07 -0.24 0.00 0.63 0.00 0.00 28.75 29.86 3gjx h GLU 383 CO 0.06 0.74 0.20 0.45 -0.73 0.00 0.00 179.01 179.74 3gjx s SER 384 N -6.12 -0.65 -0.24 1.04 0.15 -0.78 -5.05 113.70 102.04 3gjx s SER 384 Ca -0.13 0.93 0.08 0.00 0.70 0.00 0.00 55.95 57.53 3gjx s SER 384 Cb 0.10 1.64 0.60 0.00 -1.71 0.00 0.00 66.02 66.65 3gjx s SER 384 CO 0.78 -0.13 1.56 -0.81 1.20 0.00 0.00 173.24 175.83 3gjx n PRO 385 N 4.73 3.34 -4.42 5.44 -0.04 -1.00 -4.22 135.00 138.84 3gjx n PRO 385 Ca -0.12 -2.41 -0.24 0.00 -0.04 0.00 0.00 63.50 60.69 3gjx n PRO 385 Cb 0.53 -2.04 -0.09 0.00 -0.04 0.00 0.00 33.50 31.86 3gjx n PRO 385 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3gjx s PHE 386 N -2.44 2.44 0.33 0.54 2.99 -1.26 -4.59 117.98 115.99 3gjx s PHE 386 Ca 0.43 -0.33 -0.19 0.00 0.00 0.00 0.00 56.93 56.84 3gjx s PHE 386 Cb 0.34 -1.14 -0.09 0.00 0.00 0.00 0.00 43.02 42.12 3gjx s PHE 386 CO 0.11 0.65 0.81 0.45 -0.00 0.00 0.00 175.22 177.24 3gjx s SER 387 N -3.59 6.93 1.03 1.36 0.15 -1.14 -4.49 113.70 113.95 3gjx s SER 387 Ca 0.31 1.47 -0.14 0.00 0.70 0.00 0.00 55.95 58.30 3gjx s SER 387 Cb -0.04 -2.45 0.20 0.00 -1.71 0.00 0.00 66.02 62.03 3gjx s SER 387 CO 0.17 -0.18 1.11 -0.89 1.20 0.00 0.00 173.24 174.64 3gjx s THR 388 N -1.90 1.94 1.12 6.45 2.01 -1.26 -5.01 115.64 118.98 3gjx s THR 388 Ca 0.53 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 62.39 3gjx s THR 388 Cb -0.12 -2.54 0.19 0.00 0.01 0.00 0.00 72.50 70.04 3gjx s THR 388 CO 0.18 0.00 0.59 -0.24 -0.69 0.00 0.00 174.62 174.46 3gjx n SER 389 N -4.23 -1.86 -3.61 3.53 2.88 -1.26 -5.00 113.62 104.07 3gjx n SER 389 Ca 0.07 -0.06 -0.08 0.00 -1.33 0.00 0.00 58.87 57.46 3gjx n SER 389 Cb 0.58 -1.16 0.08 0.00 -0.75 0.00 0.00 64.21 62.96 3gjx n SER 389 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gjx n ALA 390 N -4.61 -1.39 -0.19 -1.46 0.00 -1.26 -4.89 120.51 106.70 3gjx n ALA 390 Ca 0.03 -0.40 -0.09 0.00 0.00 0.00 0.00 53.44 52.98 3gjx n ALA 390 Cb 0.57 -0.04 0.02 0.00 0.00 0.00 0.00 19.45 20.00 3gjx n ALA 390 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3gjx h SER 391 N -2.43 0.85 -2.87 0.00 0.02 -2.06 -3.43 113.55 103.63 3gjx h SER 391 Ca -0.10 -0.25 -0.63 0.00 -0.84 0.00 0.00 61.79 59.97 3gjx h SER 391 Cb 0.35 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3gjx h SER 391 CO 0.06 0.88 -0.46 -2.16 -1.14 0.00 0.00 176.83 174.01 3gjx s PRO 392 N -5.25 3.48 -0.83 3.45 0.05 -1.26 -5.05 135.00 129.58 3gjx s PRO 392 Ca -0.13 -0.29 -0.19 0.00 0.05 0.00 0.00 61.00 60.44 3gjx s PRO 392 Cb 0.12 -3.06 0.12 0.00 0.05 0.00 0.00 34.50 31.73 3gjx s PRO 392 CO 0.81 0.64 1.03 -0.48 0.05 0.00 0.00 177.00 179.06 3gjx s LEU 393 N -2.08 5.04 0.43 -3.56 0.05 -1.26 -5.00 118.68 112.30 3gjx s LEU 393 Ca 0.30 -1.80 -0.22 0.00 0.05 0.00 0.00 54.13 52.46 3gjx s LEU 393 Cb -0.13 -2.38 -0.12 0.00 -2.05 0.00 0.00 46.19 41.51 3gjx s LEU 393 CO 0.21 -1.12 0.54 0.00 -0.55 0.00 0.00 176.35 175.43 3gjx n LEU 394 N 6.63 0.02 -0.34 1.48 -0.00 -1.26 -2.47 117.00 121.06 3gjx n LEU 394 Ca 0.14 0.89 -0.04 0.00 -0.00 0.00 0.00 56.01 57.00 3gjx n LEU 394 Cb 0.48 -1.12 -0.02 0.00 -0.00 0.00 0.00 43.42 42.76 3gjx n LEU 394 CO 0.53 -2.91 -0.04 -1.54 -0.00 0.00 0.00 177.39 173.43 3gjx n SER 395 N 1.22 -3.96 0.00 1.45 3.41 -1.26 -4.29 113.62 110.19 3gjx n SER 395 Ca 0.11 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3gjx n SER 395 Cb 0.40 -1.86 0.00 0.00 -0.26 0.00 0.00 64.21 62.50 3gjx n SER 395 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gjx n GLY 396 N -1.88 2.19 3.77 5.00 0.00 -1.03 -5.00 105.19 108.24 3gjx n GLY 396 Ca -0.04 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3gjx n GLY 396 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gjx s SER 397 N 0.00 6.36 -0.12 1.61 1.04 -1.26 -4.86 113.70 116.47 3gjx s SER 397 Ca 0.00 3.02 -0.29 0.00 0.48 0.00 0.00 55.95 59.16 3gjx s SER 397 Cb 0.00 -2.66 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 3gjx s SER 397 CO 0.00 -0.87 1.86 -1.10 0.98 0.00 0.00 173.24 174.11 3gjx s GLN 398 N -1.79 3.79 0.78 4.02 -0.21 -1.26 -4.59 119.66 120.40 3gjx s GLN 398 Ca 0.55 2.09 -0.14 0.00 0.02 0.00 0.00 55.36 57.88 3gjx s GLN 398 Cb -0.46 -4.15 0.07 0.00 1.00 0.00 0.00 33.01 29.46 3gjx s GLN 398 CO 0.60 -1.33 1.20 -3.38 -2.12 0.00 0.00 175.29 170.26 3gjx s HIS 399 N 5.56 1.93 -2.21 0.91 -3.43 -1.26 -4.91 115.29 111.88 3gjx s HIS 399 Ca 0.83 1.64 0.20 0.00 -0.80 0.00 0.00 55.06 56.93 3gjx s HIS 399 Cb -0.33 -3.46 0.53 0.00 -1.43 0.00 0.00 32.58 27.89 3gjx s HIS 399 CO 0.34 -2.71 1.44 1.97 -2.00 0.00 0.00 174.74 173.77 3gjx n PHE 400 N -3.09 0.53 -0.26 0.38 1.16 -1.26 -4.40 117.46 110.52 3gjx n PHE 400 Ca 0.13 -0.27 0.07 0.00 -1.87 0.00 0.00 57.45 55.52 3gjx n PHE 400 Cb 0.50 0.00 0.31 0.00 -1.61 0.00 0.00 39.48 38.69 3gjx n PHE 400 CO 0.00 0.00 0.00 -0.44 -1.87 0.00 0.00 176.76 174.45 3gjx h ASP 401 N 3.31 0.76 -2.82 5.98 5.19 -2.02 -3.43 116.42 123.40 3gjx h ASP 401 Ca 0.00 0.02 -0.57 0.00 -0.62 0.00 0.00 57.03 55.86 3gjx h ASP 401 Cb 0.74 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.08 3gjx h ASP 401 CO 0.00 0.46 1.19 -0.63 -3.12 0.00 0.00 179.24 177.14 3gjx s ILE 402 N -5.77 3.63 0.43 0.35 1.01 -1.26 -4.97 121.20 114.62 3gjx s ILE 402 Ca -0.11 0.67 -0.24 0.00 0.00 0.00 0.00 60.65 60.97 3gjx s ILE 402 Cb 0.20 -3.77 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 3gjx s ILE 402 CO 0.79 -0.43 1.05 -2.65 0.00 0.00 0.00 174.94 173.69 3gjx n PRO 403 N 8.10 1.41 -0.27 2.79 -0.02 -1.26 -4.82 135.00 140.93 3gjx n PRO 403 Ca 0.20 0.51 -0.01 0.00 -2.02 0.00 0.00 63.50 62.18 3gjx n PRO 403 Cb 0.46 -2.11 0.11 0.00 -0.02 0.00 0.00 33.50 31.95 3gjx n PRO 403 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gjx h PRO 404 N 1.55 0.80 -0.04 0.52 0.11 -1.96 -2.55 132.00 130.43 3gjx h PRO 404 Ca -0.45 -0.05 -0.25 0.00 0.11 0.00 0.00 66.00 65.35 3gjx h PRO 404 Cb 1.33 -0.18 0.02 0.00 0.11 0.00 0.00 31.00 32.28 3gjx h PRO 404 CO 0.57 0.53 -0.97 0.00 -0.21 0.00 0.00 178.00 177.92 3gjx h ARG 405 N 0.83 0.72 0.00 1.05 3.08 -2.01 -3.20 114.38 114.84 3gjx h ARG 405 Ca 0.33 -0.72 -0.03 0.00 0.07 0.00 0.00 59.98 59.63 3gjx h ARG 405 Cb 0.16 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3gjx h ARG 405 CO -0.17 1.30 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.78 3gjx h ARG 406 N 0.43 0.00 -0.49 0.04 2.43 -1.86 -2.75 114.38 112.18 3gjx h ARG 406 Ca -0.11 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3gjx h ARG 406 Cb 1.62 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.13 3gjx h ARG 406 CO 0.19 0.16 0.28 0.37 -1.51 0.00 0.00 179.97 179.46 3gjx h GLN 407 N 0.00 0.53 0.00 0.20 5.75 -1.46 -1.56 115.11 118.58 3gjx h GLN 407 Ca -0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3gjx h GLN 407 Cb 0.30 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3gjx h GLN 407 CO 0.02 0.35 0.00 -0.07 -2.65 0.00 0.00 178.83 176.48 3gjx h LEU 408 N 0.55 0.00 -0.50 -2.39 3.38 -1.63 -2.88 115.31 111.84 3gjx h LEU 408 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3gjx h LEU 408 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3gjx h LEU 408 CO -0.11 0.00 -0.29 -1.22 0.09 0.00 0.00 178.44 176.91 3gjx n TYR 409 N -2.63 0.00 -0.18 1.13 4.01 -0.64 -4.80 117.16 114.05 3gjx n TYR 409 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 3gjx n TYR 409 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3gjx n TYR 409 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3gjx n LEU 410 N -0.58 -0.36 0.07 7.72 4.77 -0.86 -0.51 117.00 127.25 3gjx n LEU 410 Ca 0.03 0.81 -0.02 0.00 -0.03 0.00 0.00 56.01 56.80 3gjx n LEU 410 Cb 0.19 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 3gjx n LEU 410 CO 0.15 -0.70 0.07 0.71 -1.33 0.00 0.00 177.39 176.29 3gjx h THR 411 N 0.00 1.01 -0.20 -5.08 1.35 -1.87 -3.02 112.91 105.10 3gjx h THR 411 Ca 0.13 -2.56 -0.21 0.00 -0.55 0.00 0.00 66.41 63.22 3gjx h THR 411 Cb 0.24 2.45 0.01 0.00 -1.73 0.00 0.00 68.15 69.12 3gjx h THR 411 CO -0.45 0.57 -0.69 0.58 -0.25 0.00 0.00 175.52 175.29 3gjx h VAL 412 N 0.00 1.28 -0.97 6.82 2.07 -1.28 -2.91 116.25 121.25 3gjx h VAL 412 Ca -0.08 -1.88 0.14 0.00 0.82 0.00 0.00 66.70 65.70 3gjx h VAL 412 Cb 1.62 1.85 -0.08 0.00 -1.52 0.00 0.00 31.29 33.16 3gjx h VAL 412 CO 0.08 0.60 0.61 -0.07 0.02 0.00 0.00 177.57 178.81 3gjx h LEU 413 N 0.59 0.83 -0.66 2.57 3.38 -0.76 0.84 115.31 122.08 3gjx h LEU 413 Ca -0.03 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3gjx h LEU 413 Cb 1.31 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3gjx h LEU 413 CO 0.15 0.42 -0.06 0.28 0.09 0.00 0.00 178.44 179.32 3gjx h SER 414 N 0.87 0.97 0.30 -0.43 0.02 -1.45 -0.48 113.55 113.35 3gjx h SER 414 Ca 0.49 -0.29 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 3gjx h SER 414 Cb 0.61 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3gjx h SER 414 CO -0.26 1.05 -0.61 0.11 -1.14 0.00 0.00 176.83 175.99 3gjx h LYS 415 N 0.89 0.31 -0.27 3.45 1.57 -1.06 -2.22 116.57 119.24 3gjx h LYS 415 Ca 0.15 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3gjx h LYS 415 Cb 0.60 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3gjx h LYS 415 CO 0.04 0.82 0.07 0.28 -0.57 0.00 0.00 179.45 180.09 3gjx h VAL 416 N 0.23 1.21 -0.58 0.50 2.07 -0.61 -0.53 116.25 118.54 3gjx h VAL 416 Ca -0.01 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 66.93 3gjx h VAL 416 Cb 1.13 1.16 -0.09 0.00 -1.52 0.00 0.00 31.29 31.97 3gjx h VAL 416 CO 0.10 0.23 0.06 0.03 0.02 0.00 0.00 177.57 178.01 3gjx h ARG 417 N 0.26 0.18 -0.07 1.57 3.08 -1.01 0.16 114.38 118.55 3gjx h ARG 417 Ca 0.08 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3gjx h ARG 417 Cb 0.28 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3gjx h ARG 417 CO 0.00 0.12 -0.05 1.25 -1.07 0.00 0.00 179.97 180.22 3gjx h LEU 418 N 0.18 0.09 -0.13 3.04 5.85 -1.10 -1.08 115.31 122.17 3gjx h LEU 418 Ca 0.30 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 3gjx h LEU 418 Cb 0.46 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3gjx h LEU 418 CO -0.44 0.16 -0.32 0.25 -0.34 0.00 0.00 178.44 177.76 3gjx h LEU 419 N 0.10 0.51 -0.86 2.25 5.85 0.80 -1.74 115.31 122.22 3gjx h LEU 419 Ca 0.02 -0.58 -0.03 0.00 0.84 0.00 0.00 57.88 58.14 3gjx h LEU 419 Cb 0.16 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3gjx h LEU 419 CO 0.01 0.99 0.40 0.24 -0.34 0.00 0.00 178.44 179.74 3gjx h MET 420 N 0.05 1.23 -0.22 1.25 2.86 -0.09 -1.80 114.93 118.20 3gjx h MET 420 Ca -0.00 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 57.35 3gjx h MET 420 Cb 0.92 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 32.36 3gjx h MET 420 CO 0.07 0.94 -0.27 0.28 1.06 0.00 0.00 176.91 178.99 3gjx h VAL 421 N 1.21 1.32 0.00 -2.22 2.07 -1.28 -2.37 116.25 114.99 3gjx h VAL 421 Ca 0.29 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 3gjx h VAL 421 Cb 0.13 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3gjx h VAL 421 CO -0.04 0.45 -0.48 0.28 0.02 0.00 0.00 177.57 177.80 3gjx h SER 422 N 0.26 0.00 0.00 0.57 0.02 -1.06 -3.27 113.55 110.08 3gjx h SER 422 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3gjx h SER 422 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 3gjx h SER 422 CO 0.06 0.48 -0.05 0.54 -1.14 0.00 0.00 176.83 176.72 3gjx n ARG 423 N -3.85 1.50 -1.56 3.45 5.12 -0.70 -4.96 116.66 115.66 3gjx n ARG 423 Ca -0.01 -2.06 -0.48 0.00 -1.93 0.00 0.00 57.85 53.36 3gjx n ARG 423 Cb 0.52 -1.23 -0.04 0.00 -1.16 0.00 0.00 32.46 30.55 3gjx n ARG 423 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 3gjx n MET 424 N -1.00 1.02 -1.67 5.56 0.00 -0.89 -4.91 117.12 115.24 3gjx n MET 424 Ca 0.10 0.36 -0.30 0.00 -0.00 0.00 0.00 57.70 57.86 3gjx n MET 424 Cb 0.55 -1.79 0.06 0.00 0.00 0.00 0.00 33.22 32.04 3gjx n MET 424 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gjx s ALA 425 N -0.41 2.57 -0.02 -5.12 0.00 -1.26 -4.86 121.76 112.66 3gjx s ALA 425 Ca 0.71 -0.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 3gjx s ALA 425 Cb -0.85 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.11 3gjx s ALA 425 CO 0.54 -1.39 1.67 0.15 0.00 0.00 0.00 175.76 176.73 3gjx s LYS 426 N -5.19 4.18 0.27 0.00 3.01 -1.26 -4.88 119.74 115.87 3gjx s LYS 426 Ca 0.59 2.24 0.24 0.00 -1.01 0.00 0.00 55.97 58.03 3gjx s LYS 426 Cb -0.13 -3.92 1.00 0.00 -1.01 0.00 0.00 37.83 33.76 3gjx s LYS 426 CO 0.54 -0.83 1.72 -0.35 0.51 0.00 0.00 175.35 176.94 3gjx n PRO 427 N 6.85 0.20 -3.85 -1.68 -0.04 -1.26 -4.72 135.00 130.50 3gjx n PRO 427 Ca 0.17 0.43 -0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3gjx n PRO 427 Cb 0.42 -1.89 -0.15 0.00 -0.04 0.00 0.00 33.50 31.85 3gjx n PRO 427 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3gjx s GLU 428 N -3.33 0.00 -0.66 0.54 2.02 -1.26 -5.01 118.70 111.00 3gjx s GLU 428 Ca 0.04 0.05 -0.02 0.00 0.02 0.00 0.00 54.97 55.05 3gjx s GLU 428 Cb 0.09 -0.08 0.17 0.00 0.10 0.00 0.00 34.13 34.41 3gjx s GLU 428 CO 0.40 -0.04 0.48 -2.00 0.02 0.00 0.00 175.26 174.11 3gjx s GLU 429 N 0.29 2.64 -0.04 1.61 2.56 -1.26 -5.07 118.70 119.43 3gjx s GLU 429 Ca -0.02 -2.64 -0.04 0.00 0.00 0.00 0.00 54.97 52.26 3gjx s GLU 429 Cb -0.04 -3.75 -0.04 0.00 2.00 0.00 0.00 34.13 32.31 3gjx s GLU 429 CO -0.01 -1.19 0.17 0.54 -0.56 0.00 0.00 175.26 174.21 3gjx s VAL 430 N -0.25 5.44 -0.05 3.70 0.11 -1.26 -0.76 120.40 127.33 3gjx s VAL 430 Ca 0.18 -0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.15 3gjx s VAL 430 Cb -0.19 -3.49 0.02 0.00 -1.53 0.00 0.00 36.38 31.20 3gjx s VAL 430 CO -0.04 0.41 0.11 -0.22 -3.33 0.00 0.00 175.10 172.03 3gjx s LEU 431 N -1.66 1.18 -0.17 2.54 2.96 0.22 -4.98 118.68 118.77 3gjx s LEU 431 Ca 0.23 0.22 -0.28 0.00 -0.22 0.00 0.00 54.13 54.09 3gjx s LEU 431 Cb -0.12 0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.86 3gjx s LEU 431 CO 0.14 -0.09 0.94 -0.69 -1.32 0.00 0.00 176.35 175.33 3gjx s VAL 432 N 0.64 4.80 -0.07 1.68 1.01 -1.26 -0.01 120.40 127.19 3gjx s VAL 432 Ca -0.05 1.86 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3gjx s VAL 432 Cb -0.07 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.10 3gjx s VAL 432 CO -0.03 -0.03 -0.05 -0.69 0.00 0.00 0.00 175.10 174.30 3gjx s VAL 433 N 2.38 0.68 -0.24 2.92 1.01 -0.90 -4.94 120.40 121.31 3gjx s VAL 433 Ca 0.43 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 3gjx s VAL 433 Cb -0.17 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3gjx s VAL 433 CO 0.12 0.29 0.70 -0.70 0.00 0.00 0.00 175.10 175.51 3gjx s GLU 434 N 1.41 4.15 0.00 2.72 2.12 -1.26 -2.57 118.70 125.28 3gjx s GLU 434 Ca -0.02 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.00 3gjx s GLU 434 Cb -0.13 -3.63 0.00 0.00 0.26 0.00 0.00 34.13 30.62 3gjx s GLU 434 CO -0.03 -0.41 0.00 0.27 -0.54 0.00 0.00 175.26 174.54 3gjx n ASN 435 N 5.68 -0.02 -0.06 -1.70 0.23 -0.07 -4.82 115.26 114.51 3gjx n ASN 435 Ca 0.01 -0.06 0.00 0.00 -0.53 0.00 0.00 54.58 54.01 3gjx n ASN 435 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 3gjx n ASN 435 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3gjx n ASP 436 N -0.20 0.04 -3.58 0.53 10.43 -1.26 -4.65 116.55 117.86 3gjx n ASP 436 Ca 0.00 -0.72 -0.13 0.00 2.57 0.00 0.00 54.79 56.51 3gjx n ASP 436 Cb 0.00 -0.02 -0.06 0.00 1.84 0.00 0.00 41.12 42.88 3gjx n ASP 436 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 3gjx s GLN 437 N -1.89 1.70 0.00 -1.24 -0.21 -1.26 -5.01 119.66 111.75 3gjx s GLN 437 Ca 0.00 -1.65 0.00 0.00 0.02 0.00 0.00 55.36 53.73 3gjx s GLN 437 Cb 0.00 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.42 3gjx s GLN 437 CO 0.00 -0.68 0.17 0.41 -2.12 0.00 0.00 175.29 173.07 3gjx n GLY 438 N -0.48 -0.09 3.71 3.09 0.00 -1.26 -4.73 105.19 105.43 3gjx n GLY 438 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3gjx n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gjx s GLU 439 N -1.79 4.43 -0.64 1.61 2.02 -1.26 -4.96 118.70 118.10 3gjx s GLU 439 Ca 0.00 0.96 0.05 0.00 0.02 0.00 0.00 54.97 56.00 3gjx s GLU 439 Cb 0.00 -3.47 0.16 0.00 0.10 0.00 0.00 34.13 30.92 3gjx s GLU 439 CO 0.00 -0.01 0.42 0.14 0.02 0.00 0.00 175.26 175.82 3gjx s VAL 440 N 1.04 2.79 0.00 2.63 -7.23 -1.26 -0.89 120.40 117.48 3gjx s VAL 440 Ca 0.39 -3.97 0.00 0.00 -1.81 0.00 0.00 61.98 56.60 3gjx s VAL 440 Cb -0.18 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.90 3gjx s VAL 440 CO 0.18 -0.94 0.00 1.33 -0.31 0.00 0.00 175.10 175.37 3gjx n VAL 441 N 2.34 0.00 -4.19 1.32 0.24 -1.06 -4.84 118.33 112.14 3gjx n VAL 441 Ca 0.15 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 62.10 3gjx n VAL 441 Cb 0.34 -1.46 -0.13 0.00 -1.47 0.00 0.00 33.84 31.13 3gjx n VAL 441 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3gjx s ARG 442 N -2.00 3.58 -0.18 7.34 0.52 -1.26 -2.12 118.95 124.82 3gjx s ARG 442 Ca 0.00 -0.55 -0.05 0.00 -0.52 0.00 0.00 55.73 54.61 3gjx s ARG 442 Cb 0.00 -2.99 -0.03 0.00 0.52 0.00 0.00 34.95 32.45 3gjx s ARG 442 CO 0.00 0.06 -0.00 -2.00 0.02 0.00 0.00 175.30 173.37 3gjx s GLU 443 N 0.85 3.70 -0.27 3.54 -6.30 0.99 -4.93 118.70 116.28 3gjx s GLU 443 Ca -0.00 -0.49 -0.16 0.00 -2.50 0.00 0.00 54.97 51.81 3gjx s GLU 443 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 34.13 30.92 3gjx s GLU 443 CO 0.02 0.15 0.45 -0.06 0.02 0.00 0.00 175.26 175.84 3gjx s PHE 444 N 0.63 3.25 0.85 5.30 0.08 -1.26 -0.61 117.98 126.22 3gjx s PHE 444 Ca -0.01 0.50 -0.12 0.00 0.12 0.00 0.00 56.93 57.43 3gjx s PHE 444 Cb -0.14 -2.66 0.10 0.00 -0.57 0.00 0.00 43.02 39.75 3gjx s PHE 444 CO 0.02 -0.27 1.11 -1.64 -0.10 0.00 0.00 175.22 174.33 3gjx s MET 445 N 2.20 1.65 -0.01 0.44 -1.94 0.06 -5.01 119.30 116.70 3gjx s MET 445 Ca 0.18 0.58 -0.01 0.00 -1.71 0.00 0.00 55.69 54.73 3gjx s MET 445 Cb -0.16 -1.87 -0.01 0.00 2.01 0.00 0.00 34.83 34.80 3gjx s MET 445 CO 0.10 -1.91 -0.03 1.17 -0.01 0.00 0.00 175.02 174.34 3gjx n LYS 446 N -3.62 0.05 -3.22 2.03 4.81 -1.26 -4.72 118.16 112.23 3gjx n LYS 446 Ca 0.07 0.02 -0.24 0.00 -0.87 0.00 0.00 58.31 57.29 3gjx n LYS 446 Cb 0.57 -0.58 -0.06 0.00 0.02 0.00 0.00 35.03 34.98 3gjx n LYS 446 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3gjx n ASP 447 N -3.17 1.91 -4.93 3.14 8.00 -1.26 -4.96 116.55 115.28 3gjx n ASP 447 Ca -0.04 -3.11 -0.25 0.00 0.71 0.00 0.00 54.79 52.10 3gjx n ASP 447 Cb 0.46 -0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 40.91 3gjx n ASP 447 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3gjx s THR 448 N -2.27 5.06 0.31 -3.53 -4.23 -1.26 -4.94 115.64 104.77 3gjx s THR 448 Ca 0.39 -0.24 0.06 0.00 -1.18 0.00 0.00 61.69 60.73 3gjx s THR 448 Cb 0.22 -3.83 0.30 0.00 1.34 0.00 0.00 72.50 70.53 3gjx s THR 448 CO -0.08 -0.56 1.78 -0.78 -0.54 0.00 0.00 174.62 174.44 3gjx h ASP 449 N 0.87 0.78 -0.46 3.99 -0.00 -1.98 -0.14 116.42 119.47 3gjx h ASP 449 Ca -0.49 0.09 -0.00 0.00 -0.00 0.00 0.00 57.03 56.63 3gjx h ASP 449 Cb 1.21 -0.05 -0.02 0.00 -0.00 0.00 0.00 39.33 40.47 3gjx h ASP 449 CO 0.62 0.28 0.28 0.77 -0.00 0.00 0.00 179.24 181.20 3gjx h SER 450 N 0.76 0.54 0.07 2.28 4.64 -1.98 -0.72 113.55 119.14 3gjx h SER 450 Ca 0.57 -0.05 -0.09 0.00 -0.47 0.00 0.00 61.79 61.76 3gjx h SER 450 Cb 0.90 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3gjx h SER 450 CO -0.37 0.43 -0.28 0.40 -0.87 0.00 0.00 176.83 176.14 3gjx h ILE 451 N 0.61 1.26 -0.43 0.95 2.04 -1.43 -2.54 117.51 117.96 3gjx h ILE 451 Ca 0.16 -1.25 -0.11 0.00 1.00 0.00 0.00 64.86 64.67 3gjx h ILE 451 Cb -0.02 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 3gjx h ILE 451 CO -0.03 0.38 -0.18 -1.13 0.00 0.00 0.00 178.15 177.19 3gjx h ASN 452 N 0.29 0.85 -0.56 1.72 -0.73 -0.60 -1.10 115.58 115.46 3gjx h ASN 452 Ca 0.04 -0.29 0.03 0.00 1.87 0.00 0.00 56.30 57.95 3gjx h ASN 452 Cb 0.65 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.97 3gjx h ASN 452 CO 0.05 1.02 0.33 0.25 -0.37 0.00 0.00 177.43 178.71 3gjx h LEU 453 N 0.74 0.53 -0.11 0.34 5.85 -0.83 -1.88 115.31 119.95 3gjx h LEU 453 Ca 0.11 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gjx h LEU 453 Cb 0.71 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3gjx h LEU 453 CO 0.05 0.37 0.06 0.22 -0.34 0.00 0.00 178.44 178.81 3gjx h TYR 454 N 0.65 0.15 -0.75 1.25 3.20 -1.03 -1.22 116.97 119.22 3gjx h TYR 454 Ca 0.23 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.18 3gjx h TYR 454 Cb 0.04 -0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.20 3gjx h TYR 454 CO -0.06 0.16 0.42 0.87 -1.64 0.00 0.00 178.16 177.90 3gjx h LYS 455 N 0.10 0.70 -0.09 1.82 1.79 -1.05 0.04 116.57 119.88 3gjx h LYS 455 Ca 0.04 -0.04 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 3gjx h LYS 455 Cb 0.06 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 3gjx h LYS 455 CO -0.01 0.46 -0.55 -0.91 -1.08 0.00 0.00 179.45 177.37 3gjx h ASN 456 N 0.72 0.29 -0.04 0.86 -0.26 -1.08 0.13 115.58 116.21 3gjx h ASN 456 Ca 0.36 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.85 3gjx h ASN 456 Cb 0.31 -0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.49 3gjx h ASN 456 CO -0.23 0.78 -0.36 0.24 -1.06 0.00 0.00 177.43 176.81 3gjx h MET 457 N 0.20 0.31 -0.27 0.81 2.86 -0.84 -2.08 114.93 115.92 3gjx h MET 457 Ca 0.00 -0.28 0.06 0.00 -2.06 0.00 0.00 59.70 57.42 3gjx h MET 457 Cb 1.03 0.07 -0.07 0.00 0.06 0.00 0.00 31.60 32.69 3gjx h MET 457 CO 0.09 0.95 -0.18 -0.09 1.06 0.00 0.00 176.91 178.74 3gjx h ARG 458 N -0.23 -0.15 -0.64 1.72 2.43 -0.80 0.04 114.38 116.76 3gjx h ARG 458 Ca -0.03 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3gjx h ARG 458 Cb 1.04 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3gjx h ARG 458 CO 0.07 -0.10 0.36 1.49 -1.51 0.00 0.00 179.97 180.28 3gjx h GLU 459 N -0.16 0.89 0.05 0.20 4.81 -0.75 0.46 114.58 120.08 3gjx h GLU 459 Ca 0.15 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 3gjx h GLU 459 Cb 0.38 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3gjx h GLU 459 CO -0.37 0.66 -0.16 1.15 -0.73 0.00 0.00 179.01 179.56 3gjx h THR 460 N 0.87 0.61 -0.37 0.32 2.02 -0.93 -0.48 112.91 114.96 3gjx h THR 460 Ca 0.23 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.37 3gjx h THR 460 Cb 0.03 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3gjx h THR 460 CO -0.04 0.00 0.09 0.25 0.37 0.00 0.00 175.52 176.19 3gjx h LEU 461 N -0.30 0.49 -0.20 2.58 5.85 -0.30 -2.28 115.31 121.15 3gjx h LEU 461 Ca 0.04 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.59 3gjx h LEU 461 Cb 0.34 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3gjx h LEU 461 CO -0.12 0.49 -0.26 0.58 -0.34 0.00 0.00 178.44 178.79 3gjx h VAL 462 N 0.53 1.33 -0.14 1.05 2.07 0.34 -2.03 116.25 119.40 3gjx h VAL 462 Ca 0.12 -1.46 0.04 0.00 0.82 0.00 0.00 66.70 66.23 3gjx h VAL 462 Cb 0.20 1.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3gjx h VAL 462 CO -0.00 0.45 -0.16 1.88 0.02 0.00 0.00 177.57 179.75 3gjx h TYR 463 N 0.21 -0.41 0.00 1.57 0.05 -0.85 -2.49 116.97 115.06 3gjx h TYR 463 Ca 0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3gjx h TYR 463 Cb 0.83 0.20 0.00 0.00 1.01 0.00 0.00 36.73 38.77 3gjx h TYR 463 CO 0.08 -0.23 0.00 -0.07 -1.05 0.00 0.00 178.16 176.89 3gjx h LEU 464 N -0.19 0.00 0.00 3.88 3.38 -1.23 -0.57 115.31 120.58 3gjx h LEU 464 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 3gjx h LEU 464 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3gjx h LEU 464 CO -0.26 0.00 -1.18 0.74 0.09 0.00 0.00 178.44 177.84 3gjx h THR 465 N 0.00 0.34 -0.06 0.22 2.02 -0.93 -2.29 112.91 112.22 3gjx h THR 465 Ca 0.00 -1.65 -0.19 0.00 0.77 0.00 0.00 66.41 65.34 3gjx h THR 465 Cb 0.21 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.50 3gjx h THR 465 CO 0.00 0.19 -0.77 0.45 0.37 0.00 0.00 175.52 175.77 3gjx h HIS 466 N 0.00 0.53 0.00 3.16 3.86 -0.83 -0.55 115.15 121.32 3gjx h HIS 466 Ca -0.09 -0.25 -0.09 0.00 -1.16 0.00 0.00 60.37 58.78 3gjx h HIS 466 Cb 1.36 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.74 3gjx h HIS 466 CO 0.00 1.01 -0.53 -0.07 0.86 0.00 0.00 177.93 179.20 3gjx h LEU 467 N 0.25 0.00 -5.03 2.43 3.38 -1.46 -3.03 115.31 111.86 3gjx h LEU 467 Ca -0.04 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3gjx h LEU 467 Cb 1.35 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.95 3gjx h LEU 467 CO 0.13 0.43 -0.34 -0.62 0.09 0.00 0.00 178.44 178.13 3gjx s ASP 468 N -6.34 -0.97 0.39 -0.43 3.68 -0.86 -4.35 116.67 107.80 3gjx s ASP 468 Ca 0.04 -1.13 0.14 0.00 2.13 0.00 0.00 52.55 53.73 3gjx s ASP 468 Cb 0.07 1.26 0.80 0.00 -1.45 0.00 0.00 42.92 43.61 3gjx s ASP 468 CO 0.74 -0.04 1.85 0.10 0.13 0.00 0.00 175.17 177.96 3gjx h TYR 469 N 4.74 0.00 -0.51 -5.34 -0.00 -1.29 -2.79 116.97 111.77 3gjx h TYR 469 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.74 3gjx h TYR 469 Cb 1.14 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.84 3gjx h TYR 469 CO 0.03 0.34 0.21 0.28 -0.00 0.00 0.00 178.16 179.01 3gjx h VAL 470 N 0.00 1.19 -0.07 -0.90 2.07 -1.95 -0.14 116.25 116.46 3gjx h VAL 470 Ca -0.00 -0.58 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 3gjx h VAL 470 Cb 0.62 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3gjx h VAL 470 CO 0.04 0.23 -0.56 -0.78 0.02 0.00 0.00 177.57 176.52 3gjx h ASP 471 N 0.73 0.22 0.13 0.57 3.58 -1.89 -1.54 116.42 118.23 3gjx h ASP 471 Ca 0.18 -0.12 -0.17 0.00 0.42 0.00 0.00 57.03 57.34 3gjx h ASP 471 Cb 0.14 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.12 3gjx h ASP 471 CO -0.02 0.74 -0.62 0.74 -2.88 0.00 0.00 179.24 177.20 3gjx h THR 472 N 0.15 1.34 0.00 2.25 2.02 -1.15 -1.31 112.91 116.22 3gjx h THR 472 Ca -0.00 -1.92 -0.13 0.00 0.77 0.00 0.00 66.41 65.12 3gjx h THR 472 Cb 1.03 1.91 -0.02 0.00 -1.74 0.00 0.00 68.15 69.33 3gjx h THR 472 CO 0.08 0.59 -0.64 -0.08 0.37 0.00 0.00 175.52 175.85 3gjx h GLU 473 N 0.35 0.00 0.19 6.66 4.81 -0.93 -1.40 114.58 124.26 3gjx h GLU 473 Ca -0.01 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.90 3gjx h GLU 473 Cb 1.17 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.58 3gjx h GLU 473 CO 0.11 0.60 -1.37 0.82 -0.73 0.00 0.00 179.01 178.44 3gjx h ILE 474 N 0.00 1.29 -0.42 2.32 2.04 -1.21 -1.31 117.51 120.22 3gjx h ILE 474 Ca -0.01 -2.62 -0.03 0.00 1.00 0.00 0.00 64.86 63.20 3gjx h ILE 474 Cb 1.47 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 40.43 3gjx h ILE 474 CO 0.08 0.79 0.16 0.40 0.00 0.00 0.00 178.15 179.58 3gjx h ILE 475 N 0.20 1.20 -0.03 -0.67 2.04 -1.27 -1.56 117.51 117.43 3gjx h ILE 475 Ca -0.22 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 64.89 3gjx h ILE 475 Cb 2.06 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 3gjx h ILE 475 CO 0.26 0.23 -0.46 0.24 0.00 0.00 0.00 178.15 178.43 3gjx h MET 476 N 0.54 0.07 -0.09 2.37 2.86 -1.28 -2.19 114.93 117.21 3gjx h MET 476 Ca 0.14 -0.03 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 3gjx h MET 476 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3gjx h MET 476 CO -0.01 0.51 -0.30 1.15 1.06 0.00 0.00 176.91 179.32 3gjx h THR 477 N 0.06 1.41 -0.35 2.22 2.02 -1.15 -1.95 112.91 115.15 3gjx h THR 477 Ca 0.00 -1.66 0.04 0.00 0.77 0.00 0.00 66.41 65.56 3gjx h THR 477 Cb 0.83 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.44 3gjx h THR 477 CO 0.06 0.48 0.14 0.50 0.37 0.00 0.00 175.52 177.07 3gjx h LYS 478 N -0.11 0.29 -0.42 6.66 3.64 -1.21 -1.23 116.57 124.19 3gjx h LYS 478 Ca -0.01 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3gjx h LYS 478 Cb 0.93 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 3gjx h LYS 478 CO 0.06 0.19 0.06 0.87 -2.27 0.00 0.00 179.45 178.37 3gjx h LYS 479 N 0.30 0.65 -0.28 1.90 1.57 -1.39 -0.92 116.57 118.39 3gjx h LYS 479 Ca 0.16 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3gjx h LYS 479 Cb 0.11 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3gjx h LYS 479 CO -0.14 0.62 0.18 1.25 -0.57 0.00 0.00 179.45 180.79 3gjx h LEU 480 N 0.62 0.33 -1.06 2.94 5.85 -0.84 -2.74 115.31 120.41 3gjx h LEU 480 Ca 0.14 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3gjx h LEU 480 Cb 0.30 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3gjx h LEU 480 CO 0.00 0.27 0.15 1.56 -0.34 0.00 0.00 178.44 180.08 3gjx h GLN 481 N 0.37 0.82 0.00 1.25 1.08 -0.47 0.37 115.11 118.53 3gjx h GLN 481 Ca 0.10 -0.16 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3gjx h GLN 481 Cb -0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.29 3gjx h GLN 481 CO -0.02 0.72 0.00 0.09 -0.95 0.00 0.00 178.83 178.67 3gjx n ASN 482 N -4.29 0.38 -0.10 1.46 3.02 -0.42 -0.56 115.26 114.75 3gjx n ASN 482 Ca 0.04 0.63 -0.21 0.00 -0.03 0.00 0.00 54.58 55.02 3gjx n ASN 482 Cb 0.21 -0.70 -0.11 0.00 -0.61 0.00 0.00 39.78 38.57 3gjx n ASN 482 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3gjx h GLN 483 N 0.00 0.00 -0.76 3.52 1.08 -0.67 2.46 115.11 120.75 3gjx h GLN 483 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3gjx h GLN 483 Cb 0.16 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 3gjx h GLN 483 CO 0.00 0.97 0.38 0.28 -0.95 0.00 0.00 178.83 179.51 3gjx h VAL 484 N -1.00 1.24 0.00 -0.54 2.07 -0.63 -3.39 116.25 114.00 3gjx h VAL 484 Ca -0.31 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3gjx h VAL 484 Cb 1.26 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3gjx h VAL 484 CO -0.19 0.28 -0.13 -3.20 0.02 0.00 0.00 177.57 174.35 3gjx n ASN 485 N -4.41 -0.00 0.00 0.57 2.85 0.27 -4.82 115.26 109.72 3gjx n ASN 485 Ca 0.07 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.57 3gjx n ASN 485 Cb 0.12 0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.16 3gjx n ASN 485 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3gjx n GLY 486 N 1.71 0.00 3.14 8.20 0.00 -0.62 -4.75 105.19 112.88 3gjx n GLY 486 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 3gjx n GLY 486 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gjx n THR 487 N -0.47 -0.45 -0.71 2.61 -1.04 -0.52 -4.69 114.28 109.00 3gjx n THR 487 Ca 0.00 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 61.99 3gjx n THR 487 Cb 0.00 -0.40 0.32 0.00 -1.82 0.00 0.00 70.33 68.43 3gjx n THR 487 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gjx n GLU 488 N -1.13 4.03 -1.83 -2.82 2.13 0.82 -5.00 120.64 116.85 3gjx n GLU 488 Ca -0.04 -2.74 -0.37 0.00 0.66 0.00 0.00 57.16 54.67 3gjx n GLU 488 Cb 0.10 -2.15 0.05 0.00 0.27 0.00 0.00 31.44 29.71 3gjx n GLU 488 CO 0.00 0.00 0.00 -0.46 -0.41 0.00 0.00 177.13 176.26 3gjx s TRP 489 N -2.60 2.21 0.00 4.31 -0.11 -1.22 -4.82 118.94 116.70 3gjx s TRP 489 Ca 0.48 1.47 0.00 0.00 1.22 0.00 0.00 56.10 59.27 3gjx s TRP 489 Cb 0.37 -3.66 0.00 0.00 -1.50 0.00 0.00 33.47 28.68 3gjx s TRP 489 CO 0.13 -2.73 0.00 -1.13 -4.62 0.00 0.00 176.95 168.60 3gjx n SER 490 N -1.63 0.00 0.06 5.86 3.41 -1.26 -4.96 113.62 115.09 3gjx n SER 490 Ca 0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.55 3gjx n SER 490 Cb 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3gjx n SER 490 CO 0.00 0.00 0.00 -0.50 -0.16 0.00 0.00 175.04 174.38 3gjx h TRP 491 N 0.00 1.00 -0.96 7.33 6.55 -1.98 -2.04 115.95 125.84 3gjx h TRP 491 Ca 0.00 -0.57 0.03 0.00 0.95 0.00 0.00 58.89 59.30 3gjx h TRP 491 Cb 0.00 -0.10 -0.05 0.00 -0.86 0.00 0.00 29.16 28.14 3gjx h TRP 491 CO 0.00 1.40 0.63 -0.22 -1.05 0.00 0.00 178.44 179.20 3gjx h LYS 492 N 0.35 1.20 0.09 0.49 3.64 -1.99 0.55 116.57 120.90 3gjx h LYS 492 Ca -0.14 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 58.91 3gjx h LYS 492 Cb 1.75 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3gjx h LYS 492 CO 0.21 0.79 -1.14 -0.91 -2.27 0.00 0.00 179.45 176.13 3gjx h ASN 493 N 1.23 0.47 0.15 4.20 2.35 -1.89 -2.40 115.58 119.69 3gjx h ASN 493 Ca 0.37 -0.46 -0.17 0.00 -0.55 0.00 0.00 56.30 55.50 3gjx h ASN 493 Cb -0.04 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 3gjx h ASN 493 CO -0.11 1.32 -0.63 0.25 -1.65 0.00 0.00 177.43 176.60 3gjx h LEU 494 N 0.13 0.53 -0.17 1.61 5.85 -1.15 -1.35 115.31 120.76 3gjx h LEU 494 Ca -0.12 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3gjx h LEU 494 Cb 1.83 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 3gjx h LEU 494 CO 0.19 1.03 0.11 0.78 -0.34 0.00 0.00 178.44 180.21 3gjx h ASN 495 N 0.34 0.20 -0.63 1.25 2.35 -0.92 -2.11 115.58 116.06 3gjx h ASN 495 Ca -0.01 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 3gjx h ASN 495 Cb 1.19 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.48 3gjx h ASN 495 CO 0.11 0.18 0.24 0.74 -1.65 0.00 0.00 177.43 177.05 3gjx h THR 496 N 0.21 1.24 -0.73 2.81 2.02 -1.31 0.05 112.91 117.19 3gjx h THR 496 Ca 0.06 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.42 3gjx h THR 496 Cb 0.01 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.86 3gjx h THR 496 CO -0.01 0.31 0.30 0.25 0.37 0.00 0.00 175.52 176.74 3gjx h LEU 497 N 0.97 1.01 -0.06 2.58 5.85 -1.10 -2.21 115.31 122.33 3gjx h LEU 497 Ca 0.22 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.63 3gjx h LEU 497 Cb 0.23 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3gjx h LEU 497 CO -0.01 0.90 -0.70 0.00 -0.34 0.00 0.00 178.44 178.29 3gjx h TRP 499 N 0.00 0.44 -0.21 0.00 6.55 -0.91 -1.05 115.95 120.78 3gjx h TRP 499 Ca -0.01 -0.11 0.02 0.00 0.95 0.00 0.00 58.89 59.75 3gjx h TRP 499 Cb 1.51 -0.10 -0.02 0.00 -0.86 0.00 0.00 29.16 29.68 3gjx h TRP 499 CO 0.00 0.68 0.06 0.00 -1.05 0.00 0.00 178.44 178.13 3gjx h ALA 500 N 0.70 0.23 -0.56 1.49 0.00 -1.33 0.00 119.26 119.79 3gjx h ALA 500 Ca 0.04 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3gjx h ALA 500 Cb 0.55 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3gjx h ALA 500 CO 0.03 -0.36 0.37 0.82 0.00 0.00 0.00 179.25 180.11 3gjx h ILE 501 N 0.16 0.97 0.00 0.00 2.04 -0.92 -1.45 117.51 118.31 3gjx h ILE 501 Ca 0.09 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3gjx h ILE 501 Cb 0.07 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 3gjx h ILE 501 CO -0.10 0.09 -0.54 1.23 0.00 0.00 0.00 178.15 178.83 3gjx h GLY 502 N 0.50 0.00 2.00 5.37 0.00 -0.66 -3.33 103.07 106.94 3gjx h GLY 502 Ca 0.25 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 3gjx h GLY 502 CO -0.07 0.00 -0.37 1.48 0.00 0.00 0.00 176.54 177.59 3gjx h SER 503 N 0.00 0.00 -0.65 0.19 4.64 0.12 -3.19 113.55 114.67 3gjx h SER 503 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3gjx h SER 503 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3gjx h SER 503 CO 0.02 0.37 0.00 2.30 -0.87 0.00 0.00 176.83 178.64 3gjx n ILE 504 N -3.60 1.17 -1.68 0.95 -5.35 -1.21 -4.92 119.36 104.71 3gjx n ILE 504 Ca -0.01 -0.96 -0.56 0.00 -0.27 0.00 0.00 62.75 60.95 3gjx n ILE 504 Cb 0.48 0.32 -0.07 0.00 -1.74 0.00 0.00 39.64 38.64 3gjx n ILE 504 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3gjx n SER 505 N 1.32 2.48 0.00 7.28 2.88 -1.21 -0.66 113.62 125.72 3gjx n SER 505 Ca 0.23 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3gjx n SER 505 Cb 0.66 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 3gjx n SER 505 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3gjx n GLY 506 N 4.46 0.70 0.16 0.46 0.00 -1.26 -4.92 105.19 104.79 3gjx n GLY 506 Ca 0.28 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3gjx n GLY 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gjx n ALA 507 N -0.92 3.69 -2.66 4.61 0.00 0.17 -4.92 120.51 120.48 3gjx n ALA 507 Ca 0.00 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.73 3gjx n ALA 507 Cb 0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.40 3gjx n ALA 507 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3gjx s MET 508 N -2.76 2.34 0.19 0.00 -1.94 -1.26 -4.55 119.30 111.33 3gjx s MET 508 Ca 0.16 -1.39 -0.30 0.00 -1.71 0.00 0.00 55.69 52.45 3gjx s MET 508 Cb 0.18 -2.19 -0.09 0.00 2.01 0.00 0.00 34.83 34.74 3gjx s MET 508 CO 0.66 0.37 1.31 -1.58 -0.01 0.00 0.00 175.02 175.77 3gjx s HIS 509 N -2.31 3.26 0.45 -0.03 5.65 -1.26 -4.78 115.29 116.28 3gjx s HIS 509 Ca 0.31 1.22 0.32 0.00 0.25 0.00 0.00 55.06 57.17 3gjx s HIS 509 Cb -0.07 -3.60 1.46 0.00 -1.18 0.00 0.00 32.58 29.20 3gjx s HIS 509 CO 0.20 -1.87 1.61 1.49 -0.65 0.00 0.00 174.74 175.53 3gjx h GLU 510 N 5.42 0.06 -0.11 2.88 4.81 -1.98 0.33 114.58 125.99 3gjx h GLU 510 Ca -0.45 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 3gjx h GLU 510 Cb 1.21 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.59 3gjx h GLU 510 CO 0.77 0.04 -0.66 1.49 -0.73 0.00 0.00 179.01 179.92 3gjx h GLU 511 N 0.06 0.64 -0.69 1.92 4.81 -2.00 -1.08 114.58 118.25 3gjx h GLU 511 Ca 0.84 -0.55 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 3gjx h GLU 511 Cb 2.71 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 32.18 3gjx h GLU 511 CO -0.39 1.16 0.14 -0.44 -0.73 0.00 0.00 179.01 178.76 3gjx h ASP 512 N 0.30 1.06 -0.41 1.04 3.32 -0.82 -3.03 116.42 117.88 3gjx h ASP 512 Ca -0.05 -0.24 0.07 0.00 0.02 0.00 0.00 57.03 56.83 3gjx h ASP 512 Cb 1.31 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 3gjx h ASP 512 CO 0.14 1.03 0.01 -0.08 -1.72 0.00 0.00 179.24 178.62 3gjx h GLU 513 N 1.05 0.11 0.31 3.56 4.81 -0.78 -1.24 114.58 122.40 3gjx h GLU 513 Ca 0.21 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3gjx h GLU 513 Cb 0.40 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.73 3gjx h GLU 513 CO 0.01 0.08 -0.41 -0.22 -0.73 0.00 0.00 179.01 177.73 3gjx h LYS 514 N 0.12 -0.74 -0.73 1.92 3.64 -1.11 -0.11 116.57 119.56 3gjx h LYS 514 Ca 0.20 0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.72 3gjx h LYS 514 Cb 0.28 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.22 3gjx h LYS 514 CO -0.33 -0.49 0.48 0.00 -2.27 0.00 0.00 179.45 176.84 3gjx h ARG 515 N -0.77 0.65 0.01 1.90 3.08 -1.40 -0.15 114.38 117.69 3gjx h ARG 515 Ca -0.02 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 3gjx h ARG 515 Cb 0.72 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.63 3gjx h ARG 515 CO -0.12 0.43 -0.48 0.35 -1.07 0.00 0.00 179.97 179.08 3gjx h PHE 516 N 0.67 0.47 -0.13 3.04 3.57 -0.87 -2.87 116.94 120.82 3gjx h PHE 516 Ca 0.33 -0.26 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 3gjx h PHE 516 Cb 0.40 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3gjx h PHE 516 CO -0.00 1.08 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.81 3gjx h LEU 517 N -0.27 0.24 -0.88 0.59 3.38 -0.71 -0.87 115.31 116.79 3gjx h LEU 517 Ca -0.06 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3gjx h LEU 517 Cb 1.22 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3gjx h LEU 517 CO 0.09 0.52 -0.26 0.58 0.09 0.00 0.00 178.44 179.47 3gjx h VAL 518 N 0.21 1.27 -0.12 1.22 2.07 -1.04 -2.44 116.25 117.43 3gjx h VAL 518 Ca 0.03 -1.30 -0.19 0.00 0.82 0.00 0.00 66.70 66.07 3gjx h VAL 518 Cb 0.61 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3gjx h VAL 518 CO 0.04 0.42 -0.70 0.74 0.02 0.00 0.00 177.57 178.09 3gjx h THR 519 N 0.46 1.34 -0.23 2.57 2.02 -1.23 -2.50 112.91 115.35 3gjx h THR 519 Ca 0.07 -2.03 -0.14 0.00 0.77 0.00 0.00 66.41 65.07 3gjx h THR 519 Cb 0.69 2.01 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3gjx h THR 519 CO 0.05 0.62 -0.42 0.58 0.37 0.00 0.00 175.52 176.72 3gjx h VAL 520 N 0.36 1.31 0.00 3.16 2.07 -0.99 -3.21 116.25 118.96 3gjx h VAL 520 Ca -0.03 -1.63 -0.17 0.00 0.82 0.00 0.00 66.70 65.69 3gjx h VAL 520 Cb 1.28 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.80 3gjx h VAL 520 CO 0.13 0.51 -1.46 2.30 0.02 0.00 0.00 177.57 179.07 3gjx n ILE 521 N -4.19 1.17 -0.06 4.57 -5.35 -0.93 -2.44 119.36 112.11 3gjx n ILE 521 Ca -0.05 -0.69 0.02 0.00 -0.27 0.00 0.00 62.75 61.75 3gjx n ILE 521 Cb 0.55 -0.71 0.34 0.00 -1.74 0.00 0.00 39.64 38.08 3gjx n ILE 521 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3gjx h LYS 522 N 0.00 0.67 0.00 6.28 3.64 -1.56 -0.27 116.57 125.33 3gjx h LYS 522 Ca -0.17 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 3gjx h LYS 522 Cb 1.59 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.26 3gjx h LYS 522 CO 0.04 0.49 -1.33 -0.25 -2.27 0.00 0.00 179.45 176.13 3gjx n ASP 523 N -4.42 0.65 -0.06 4.20 9.92 -1.21 -2.13 116.55 123.51 3gjx n ASP 523 Ca 0.04 0.26 -0.14 0.00 -0.53 0.00 0.00 54.79 54.43 3gjx n ASP 523 Cb 0.09 0.72 -0.07 0.00 -0.64 0.00 0.00 41.12 41.22 3gjx n ASP 523 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3gjx h LEU 524 N 0.00 0.47 -0.67 0.64 3.38 -1.32 0.80 115.31 118.62 3gjx h LEU 524 Ca -0.05 -0.52 0.12 0.00 0.09 0.00 0.00 57.88 57.52 3gjx h LEU 524 Cb 1.16 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 3gjx h LEU 524 CO 0.01 0.90 0.23 -0.07 0.09 0.00 0.00 178.44 179.60 3gjx h LEU 525 N 0.05 0.19 -0.57 1.67 4.07 -1.15 0.24 115.31 119.81 3gjx h LEU 525 Ca 0.02 0.10 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 3gjx h LEU 525 Cb 0.80 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.61 3gjx h LEU 525 CO 0.05 0.09 -0.03 1.23 -1.08 0.00 0.00 178.44 178.71 3gjx h GLY 526 N 0.38 1.10 1.42 0.83 0.00 -1.29 -2.41 103.07 103.11 3gjx h GLY 526 Ca 0.35 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.81 3gjx h GLY 526 CO -0.37 0.76 0.10 -2.00 0.00 0.00 0.00 176.54 175.03 3gjx h LEU 527 N 0.90 0.67 -0.18 3.11 5.85 -0.26 -2.57 115.31 122.84 3gjx h LEU 527 Ca 0.16 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3gjx h LEU 527 Cb 0.58 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3gjx h LEU 527 CO 0.03 0.68 0.06 0.00 -0.34 0.00 0.00 178.44 178.88 3gjx h GLU 529 N 0.12 0.00 0.20 0.00 4.39 -1.45 -3.26 114.58 114.58 3gjx h GLU 529 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3gjx h GLU 529 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3gjx h GLU 529 CO -0.00 0.08 -0.10 0.37 -1.16 0.00 0.00 179.01 178.20 3gjx h GLN 530 N 0.00 -0.26 -6.80 2.33 5.75 -0.82 -3.45 115.11 111.86 3gjx h GLN 530 Ca -0.00 0.02 -0.52 0.00 -0.15 0.00 0.00 58.65 58.00 3gjx h GLN 530 Cb 0.15 0.06 0.05 0.00 1.07 0.00 0.00 27.48 28.81 3gjx h GLN 530 CO 0.01 0.13 0.63 0.15 -2.65 0.00 0.00 178.83 177.10 3gjx s LYS 531 N -3.65 4.40 0.32 1.69 3.01 -0.36 -5.03 119.74 120.13 3gjx s LYS 531 Ca -0.13 2.11 0.02 0.00 -1.01 0.00 0.00 55.97 56.97 3gjx s LYS 531 Cb 0.01 -3.13 -0.03 0.00 -1.01 0.00 0.00 37.83 33.67 3gjx s LYS 531 CO 0.47 -0.16 0.49 1.03 0.51 0.00 0.00 175.35 177.70 3gjx s ARG 532 N -1.14 3.41 0.00 1.68 0.52 -1.26 -4.74 118.95 117.43 3gjx s ARG 532 Ca 0.51 -0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 3gjx s ARG 532 Cb -0.38 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.36 3gjx s ARG 532 CO 0.46 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.39 3gjx n GLY 533 N -1.68 -1.80 0.41 -3.53 0.00 -1.26 -4.43 105.19 92.90 3gjx n GLY 533 Ca -0.05 -0.93 0.26 0.00 0.00 0.00 0.00 46.02 45.30 3gjx n GLY 533 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gjx h LYS 534 N 0.00 0.31 -0.37 1.61 1.57 -1.98 0.15 116.57 117.86 3gjx h LYS 534 Ca 0.00 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3gjx h LYS 534 Cb 0.00 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.16 3gjx h LYS 534 CO 0.00 0.21 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.45 3gjx h ASP 535 N 0.32 -0.66 -0.32 0.86 5.19 -1.99 0.39 116.42 120.21 3gjx h ASP 535 Ca 0.66 0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 57.17 3gjx h ASP 535 Cb 1.76 0.35 -0.01 0.00 0.18 0.00 0.00 39.33 41.61 3gjx h ASP 535 CO -0.35 -0.23 0.01 0.78 -3.12 0.00 0.00 179.24 176.33 3gjx h ASN 536 N -0.13 0.55 0.22 6.45 2.35 -0.96 -2.61 115.58 121.45 3gjx h ASN 536 Ca 0.18 -0.30 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 3gjx h ASN 536 Cb 0.42 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3gjx h ASN 536 CO -0.45 0.72 -0.35 0.11 -1.65 0.00 0.00 177.43 175.80 3gjx h LYS 537 N 0.37 0.20 -0.15 0.81 1.57 -0.89 -0.50 116.57 117.98 3gjx h LYS 537 Ca 0.09 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 3gjx h LYS 537 Cb 0.43 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3gjx h LYS 537 CO 0.01 0.53 -0.07 0.00 -0.57 0.00 0.00 179.45 179.36 3gjx h ALA 538 N 1.46 0.21 0.37 3.86 0.00 -0.20 0.16 119.26 125.12 3gjx h ALA 538 Ca 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3gjx h ALA 538 Cb 0.71 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3gjx h ALA 538 CO 0.05 0.01 -0.26 0.82 0.00 0.00 0.00 179.25 179.88 3gjx h ILE 539 N -0.01 0.46 -0.33 0.00 1.08 -1.26 -0.49 117.51 116.97 3gjx h ILE 539 Ca 0.03 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.55 3gjx h ILE 539 Cb 0.53 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 3gjx h ILE 539 CO 0.02 0.00 0.09 0.40 -0.69 0.00 0.00 178.15 177.97 3gjx h ILE 540 N -0.61 0.88 -0.65 -0.67 2.04 -1.07 -2.43 117.51 114.99 3gjx h ILE 540 Ca -0.03 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.80 3gjx h ILE 540 Cb 0.52 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 3gjx h ILE 540 CO 0.01 0.04 0.38 0.00 0.00 0.00 0.00 178.15 178.58 3gjx h ALA 541 N 1.22 0.86 -0.86 1.87 0.00 -0.62 -2.35 119.26 119.39 3gjx h ALA 541 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3gjx h ALA 541 Cb 0.14 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3gjx h ALA 541 CO -0.17 0.08 0.54 0.77 0.00 0.00 0.00 179.25 180.47 3gjx h SER 542 N 0.71 1.01 -0.13 0.00 0.02 -0.65 -2.28 113.55 112.23 3gjx h SER 542 Ca 0.28 -0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.14 3gjx h SER 542 Cb 0.12 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3gjx h SER 542 CO -0.15 0.75 -0.10 0.78 -1.14 0.00 0.00 176.83 176.97 3gjx h ASN 543 N 1.17 0.31 -0.63 3.07 2.35 -0.98 0.20 115.58 121.07 3gjx h ASN 543 Ca 0.31 -0.45 0.11 0.00 -0.55 0.00 0.00 56.30 55.72 3gjx h ASN 543 Cb -0.09 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.11 3gjx h ASN 543 CO -0.06 0.69 0.20 0.40 -1.65 0.00 0.00 177.43 177.01 3gjx h ILE 544 N -0.08 0.70 -0.58 2.81 2.04 -1.41 0.62 117.51 121.60 3gjx h ILE 544 Ca 0.02 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 3gjx h ILE 544 Cb 0.60 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3gjx h ILE 544 CO 0.03 0.06 0.18 0.24 0.00 0.00 0.00 178.15 178.66 3gjx h MET 545 N 0.36 0.90 -0.20 2.37 2.86 -0.98 -0.42 114.93 119.82 3gjx h MET 545 Ca 0.33 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 3gjx h MET 545 Cb 0.45 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3gjx h MET 545 CO -0.36 0.81 0.06 -0.92 1.06 0.00 0.00 176.91 177.56 3gjx h TYR 546 N 0.82 0.11 0.45 -0.22 3.20 -0.01 -1.35 116.97 119.98 3gjx h TYR 546 Ca 0.19 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3gjx h TYR 546 Cb 0.29 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3gjx h TYR 546 CO 0.02 0.05 -0.44 0.82 -1.64 0.00 0.00 178.16 176.97 3gjx h ILE 547 N 0.15 0.00 -0.85 1.81 2.04 -0.58 -2.20 117.51 117.89 3gjx h ILE 547 Ca 0.09 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.16 3gjx h ILE 547 Cb 0.06 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.01 3gjx h ILE 547 CO -0.10 0.00 0.28 0.58 0.00 0.00 0.00 178.15 178.91 3gjx h VAL 548 N -0.89 0.42 -0.21 1.67 2.07 -1.07 0.12 116.25 118.37 3gjx h VAL 548 Ca -0.06 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.42 3gjx h VAL 548 Cb 0.77 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3gjx h VAL 548 CO -0.05 0.05 0.17 1.23 0.02 0.00 0.00 177.57 179.00 3gjx h GLY 549 N 0.29 0.00 1.23 2.17 0.00 -0.63 -1.30 103.07 104.84 3gjx h GLY 549 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 3gjx h GLY 549 CO -0.57 0.00 -0.34 -1.06 0.00 0.00 0.00 176.54 174.57 3gjx n GLN 550 N -4.18 0.06 -2.93 4.80 1.13 0.41 -4.32 117.38 112.36 3gjx n GLN 550 Ca 0.02 -0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.78 3gjx n GLN 550 Cb 0.31 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.12 3gjx n GLN 550 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3gjx n TYR 551 N -1.44 3.97 -0.34 1.08 4.01 -0.49 -4.83 117.16 119.12 3gjx n TYR 551 Ca 0.07 -3.97 0.06 0.00 -0.16 0.00 0.00 57.90 53.89 3gjx n TYR 551 Cb 0.33 -0.48 0.24 0.00 -0.31 0.00 0.00 39.34 39.13 3gjx n TYR 551 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gjx h PRO 552 N 2.97 0.99 -0.46 -0.72 0.11 -1.75 -2.62 132.00 130.52 3gjx h PRO 552 Ca 0.13 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.24 3gjx h PRO 552 Cb 0.52 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.36 3gjx h PRO 552 CO 0.81 0.66 0.19 -0.09 -0.21 0.00 0.00 178.00 179.36 3gjx h ARG 553 N 1.02 0.37 -0.11 1.05 2.43 -1.94 0.97 114.38 118.18 3gjx h ARG 553 Ca 0.45 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.63 3gjx h ARG 553 Cb 0.35 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 3gjx h ARG 553 CO -0.20 0.25 -0.53 0.35 -1.51 0.00 0.00 179.97 178.32 3gjx h PHE 554 N 0.38 -1.57 -0.38 2.20 3.57 -1.90 -2.39 116.94 116.84 3gjx h PHE 554 Ca 0.21 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.84 3gjx h PHE 554 Cb 0.18 0.70 -0.06 0.00 2.79 0.00 0.00 35.95 39.56 3gjx h PHE 554 CO -0.13 -0.55 0.03 -0.07 -2.23 0.00 0.00 178.31 175.35 3gjx h LEU 555 N -0.60 -0.10 -1.42 0.59 3.38 -0.75 -2.00 115.31 114.43 3gjx h LEU 555 Ca 0.03 0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.23 3gjx h LEU 555 Cb 0.69 0.13 -0.06 0.00 0.09 0.00 0.00 40.66 41.51 3gjx h LEU 555 CO -0.42 -0.01 0.55 0.03 0.09 0.00 0.00 178.44 178.68 3gjx h ARG 556 N 0.14 0.54 0.00 1.13 3.08 0.11 -0.81 114.38 118.57 3gjx h ARG 556 Ca 0.19 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3gjx h ARG 556 Cb 0.25 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.18 3gjx h ARG 556 CO -0.29 0.36 -0.37 0.00 -1.07 0.00 0.00 179.97 178.60 3gjx n ALA 557 N -2.47 2.92 -3.63 0.04 0.00 -0.78 -4.54 120.51 112.04 3gjx n ALA 557 Ca 0.17 -0.22 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 3gjx n ALA 557 Cb 0.52 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 3gjx n ALA 557 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3gjx n HIS 558 N -1.79 1.61 -0.18 0.00 8.25 -0.31 -5.00 115.22 117.79 3gjx n HIS 558 Ca 0.05 -3.90 -0.01 0.00 -0.26 0.00 0.00 57.72 53.60 3gjx n HIS 558 Cb 0.38 -0.29 0.08 0.00 1.12 0.00 0.00 29.99 31.28 3gjx n HIS 558 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3gjx h TRP 559 N 5.27 -0.04 -0.78 4.41 2.91 -1.80 -0.82 115.95 125.09 3gjx h TRP 559 Ca 0.19 0.04 0.09 0.00 1.13 0.00 0.00 58.89 60.34 3gjx h TRP 559 Cb 0.81 0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 29.51 3gjx h TRP 559 CO 0.52 -0.14 0.51 -0.22 -1.03 0.00 0.00 178.44 178.08 3gjx h LYS 560 N 0.12 0.73 -0.03 2.65 3.64 -1.92 0.33 116.57 122.09 3gjx h LYS 560 Ca 0.29 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.50 3gjx h LYS 560 Cb 0.45 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3gjx h LYS 560 CO -0.48 0.48 -0.46 0.35 -2.27 0.00 0.00 179.45 177.07 3gjx h PHE 561 N 0.75 0.53 -0.04 1.91 3.04 -1.58 -2.94 116.94 118.61 3gjx h PHE 561 Ca 0.35 -0.26 0.03 0.00 3.98 0.00 0.00 57.97 62.07 3gjx h PHE 561 Cb 0.38 -0.07 -0.06 0.00 2.56 0.00 0.00 35.95 38.76 3gjx h PHE 561 CO -0.00 1.06 -0.50 1.25 -2.02 0.00 0.00 178.31 178.09 3gjx h LEU 562 N -0.15 -1.56 -1.14 0.59 5.85 -0.48 -0.47 115.31 117.94 3gjx h LEU 562 Ca -0.05 0.18 0.22 0.00 0.84 0.00 0.00 57.88 59.07 3gjx h LEU 562 Cb 1.16 0.60 -0.10 0.00 0.37 0.00 0.00 40.66 42.69 3gjx h LEU 562 CO 0.09 -0.50 0.62 0.50 -0.34 0.00 0.00 178.44 178.81 3gjx h LYS 563 N -0.62 0.59 -0.24 1.25 3.64 -0.47 -1.15 116.57 119.56 3gjx h LYS 563 Ca 0.03 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 3gjx h LYS 563 Cb 0.70 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3gjx h LYS 563 CO -0.37 0.39 -0.61 1.15 -2.27 0.00 0.00 179.45 177.74 3gjx h THR 564 N 0.60 1.28 -0.72 1.00 2.02 -1.17 -0.94 112.91 114.99 3gjx h THR 564 Ca 0.59 -1.80 -0.03 0.00 0.77 0.00 0.00 66.41 65.93 3gjx h THR 564 Cb 1.14 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 69.25 3gjx h THR 564 CO -0.36 0.58 0.32 0.58 0.37 0.00 0.00 175.52 177.00 3gjx h VAL 565 N 0.60 1.24 0.04 3.16 2.07 -0.21 -1.30 116.25 121.85 3gjx h VAL 565 Ca -0.00 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3gjx h VAL 565 Cb 1.21 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3gjx h VAL 565 CO 0.13 0.30 -0.02 0.58 0.02 0.00 0.00 177.57 178.58 3gjx h VAL 566 N 1.02 1.32 -0.98 2.57 2.07 -1.04 0.15 116.25 121.36 3gjx h VAL 566 Ca 0.24 -1.23 0.21 0.00 0.82 0.00 0.00 66.70 66.74 3gjx h VAL 566 Cb 0.17 2.13 -0.09 0.00 -1.52 0.00 0.00 31.29 31.98 3gjx h VAL 566 CO -0.03 0.31 0.62 0.78 0.02 0.00 0.00 177.57 179.27 3gjx h ASN 567 N -0.60 0.58 0.41 0.57 2.35 -1.25 0.10 115.58 117.75 3gjx h ASN 567 Ca -0.01 0.07 -0.15 0.00 -0.55 0.00 0.00 56.30 55.66 3gjx h ASN 567 Cb 0.54 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3gjx h ASN 567 CO 0.01 0.20 -0.66 0.50 -1.65 0.00 0.00 177.43 175.83 3gjx h LYS 568 N 0.56 0.22 -0.34 0.81 1.63 -0.83 -1.89 116.57 116.73 3gjx h LYS 568 Ca 0.54 -0.17 -0.11 0.00 -0.85 0.00 0.00 60.65 60.07 3gjx h LYS 568 Cb 1.12 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.76 3gjx h LYS 568 CO -0.29 0.80 -0.22 -0.07 -3.45 0.00 0.00 179.45 176.22 3gjx h LEU 569 N 0.16 0.68 -0.72 5.20 4.07 0.10 -2.41 115.31 122.39 3gjx h LEU 569 Ca -0.01 -0.23 -0.08 0.00 0.08 0.00 0.00 57.88 57.63 3gjx h LEU 569 Cb 1.18 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.71 3gjx h LEU 569 CO 0.10 0.89 0.07 -0.26 -1.08 0.00 0.00 178.44 178.16 3gjx h PHE 570 N 0.59 1.13 0.20 1.13 0.04 -0.53 -2.83 116.94 116.67 3gjx h PHE 570 Ca 0.09 -0.16 0.00 0.00 2.80 0.00 0.00 57.97 60.70 3gjx h PHE 570 Cb 0.70 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 3gjx h PHE 570 CO 0.03 0.96 -0.20 1.49 -0.60 0.00 0.00 178.31 179.99 3gjx h GLU 571 N 0.98 -0.42 0.00 1.51 4.81 -1.08 -2.45 114.58 117.93 3gjx h GLU 571 Ca 0.19 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3gjx h GLU 571 Cb 0.46 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3gjx h GLU 571 CO 0.02 -0.28 0.00 1.19 -0.73 0.00 0.00 179.01 179.21 3gjx n PHE 572 N -5.32 0.00 1.21 0.92 3.72 -0.93 -1.08 117.46 115.97 3gjx n PHE 572 Ca -0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.44 3gjx n PHE 572 Cb 0.24 -0.50 0.64 0.00 -0.94 0.00 0.00 39.48 38.91 3gjx n PHE 572 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3gjx n MET 573 N -1.50 0.39 0.00 -1.08 2.81 -0.92 -1.55 117.12 115.27 3gjx n MET 573 Ca 0.01 0.05 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 3gjx n MET 573 Cb 0.04 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.10 3gjx n MET 573 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3gjx n HIS 574 N -1.26 0.00 -2.14 2.03 8.25 -0.24 -4.36 115.22 117.49 3gjx n HIS 574 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 3gjx n HIS 574 Cb 0.19 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 3gjx n HIS 574 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 3gjx s GLU 575 N -1.11 4.31 0.22 -0.41 2.56 -0.60 -4.93 118.70 118.75 3gjx s GLU 575 Ca 0.14 2.11 0.21 0.00 0.00 0.00 0.00 54.97 57.43 3gjx s GLU 575 Cb 0.10 -3.23 0.04 0.00 2.00 0.00 0.00 34.13 33.04 3gjx s GLU 575 CO 0.17 -0.45 1.12 1.79 -0.56 0.00 0.00 175.26 177.34 3gjx h THR 576 N 4.20 0.14 -2.60 -1.70 1.35 -1.94 -3.40 112.91 108.96 3gjx h THR 576 Ca -0.42 -1.24 -0.52 0.00 -0.55 0.00 0.00 66.41 63.67 3gjx h THR 576 Cb 1.21 1.73 0.05 0.00 -1.73 0.00 0.00 68.15 69.41 3gjx h THR 576 CO 0.87 0.08 1.06 -2.28 -0.25 0.00 0.00 175.52 174.99 3gjx s HIS 577 N -3.24 2.58 -0.12 4.73 5.04 -1.26 -4.80 115.29 118.22 3gjx s HIS 577 Ca 0.01 0.18 -0.40 0.00 -1.54 0.00 0.00 55.06 53.30 3gjx s HIS 577 Cb 0.09 -4.17 -0.18 0.00 0.04 0.00 0.00 32.58 28.36 3gjx s HIS 577 CO 0.77 -4.59 1.42 -0.40 -2.34 0.00 0.00 174.74 169.60 3gjx n ASP 578 N 4.70 1.38 0.00 9.88 3.85 -1.26 -2.13 116.55 132.96 3gjx n ASP 578 Ca 0.17 1.13 0.00 0.00 -0.71 0.00 0.00 54.79 55.38 3gjx n ASP 578 Cb 0.36 -1.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.07 3gjx n ASP 578 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3gjx n GLY 579 N 2.95 2.82 0.22 6.12 0.00 -1.26 -4.90 105.19 111.14 3gjx n GLY 579 Ca 0.23 -0.33 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 3gjx n GLY 579 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3gjx h VAL 580 N 0.00 0.76 -0.78 1.61 2.07 -1.77 -0.64 116.25 117.50 3gjx h VAL 580 Ca 0.00 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.41 3gjx h VAL 580 Cb 0.00 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.10 3gjx h VAL 580 CO 0.00 0.06 0.51 1.56 0.02 0.00 0.00 177.57 179.73 3gjx h GLN 581 N 0.35 1.01 -0.74 1.57 4.20 -1.77 0.43 115.11 120.17 3gjx h GLN 581 Ca 0.29 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3gjx h GLN 581 Cb 0.36 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 3gjx h GLN 581 CO -0.31 0.67 0.46 -0.44 -0.67 0.00 0.00 178.83 178.54 3gjx h ASP 582 N 1.04 0.87 -0.05 1.46 3.32 -1.75 -1.68 116.42 119.63 3gjx h ASP 582 Ca 0.29 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 3gjx h ASP 582 Cb -0.09 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 3gjx h ASP 582 CO -0.07 0.66 0.03 -0.03 -1.72 0.00 0.00 179.24 178.11 3gjx h MET 583 N 1.00 0.07 -0.75 3.56 1.85 -0.03 -1.20 114.93 119.43 3gjx h MET 583 Ca 0.27 -0.01 0.06 0.00 -0.61 0.00 0.00 59.70 59.41 3gjx h MET 583 Cb -0.07 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 31.89 3gjx h MET 583 CO -0.05 0.08 0.44 0.00 -0.40 0.00 0.00 176.91 176.97 3gjx h ALA 584 N 0.99 1.02 -0.09 0.39 0.00 0.02 -1.24 119.26 120.35 3gjx h ALA 584 Ca 0.02 0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 3gjx h ALA 584 Cb 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gjx h ALA 584 CO -0.00 0.14 -0.80 0.00 0.00 0.00 0.00 179.25 178.58 3gjx h ASP 586 N 0.38 0.41 -0.76 0.00 3.32 -0.90 -1.79 116.42 117.09 3gjx h ASP 586 Ca -0.07 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3gjx h ASP 586 Cb 1.44 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.86 3gjx h ASP 586 CO 0.16 0.30 0.37 0.74 -1.72 0.00 0.00 179.24 179.09 3gjx h THR 587 N 0.50 1.24 -0.21 0.35 2.02 -1.29 -2.74 112.91 112.78 3gjx h THR 587 Ca 0.15 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 3gjx h THR 587 Cb -0.03 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 3gjx h THR 587 CO -0.05 0.28 0.07 0.15 0.37 0.00 0.00 175.52 176.34 3gjx h PHE 588 N 1.07 0.28 0.15 3.16 3.57 -0.76 -1.38 116.94 123.03 3gjx h PHE 588 Ca 0.26 -0.00 -0.29 0.00 3.53 0.00 0.00 57.97 61.47 3gjx h PHE 588 Cb 0.11 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 38.77 3gjx h PHE 588 CO 0.01 0.25 -1.28 0.97 -2.23 0.00 0.00 178.31 176.02 3gjx h ILE 589 N 0.29 1.45 -0.13 1.41 2.10 -1.05 -1.05 117.51 120.53 3gjx h ILE 589 Ca 0.07 -2.97 0.03 0.00 1.08 0.00 0.00 64.86 63.07 3gjx h ILE 589 Cb 0.09 2.95 -0.02 0.00 -1.09 0.00 0.00 36.82 38.74 3gjx h ILE 589 CO -0.01 0.87 -0.03 0.11 -1.08 0.00 0.00 178.15 178.02 3gjx h LYS 590 N 0.10 0.01 -0.48 2.19 1.57 -1.24 -1.22 116.57 117.48 3gjx h LYS 590 Ca -0.16 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 3gjx h LYS 590 Cb 2.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.29 3gjx h LYS 590 CO 0.22 0.00 0.16 0.82 -0.57 0.00 0.00 179.45 180.08 3gjx h ILE 591 N 0.01 1.22 -0.69 1.86 2.04 -1.23 -1.44 117.51 119.28 3gjx h ILE 591 Ca 0.06 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 3gjx h ILE 591 Cb 0.09 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3gjx h ILE 591 CO -0.13 0.27 0.20 0.00 0.00 0.00 0.00 178.15 178.49 3gjx h ALA 592 N 1.01 1.05 -0.02 1.87 0.00 -1.04 0.12 119.26 122.26 3gjx h ALA 592 Ca 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3gjx h ALA 592 Cb 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3gjx h ALA 592 CO -0.01 0.64 0.00 1.04 0.00 0.00 0.00 179.25 180.92 3gjx n GLN 593 N -4.25 0.00 0.24 0.00 6.02 -0.48 -2.09 117.38 116.82 3gjx n GLN 593 Ca 0.05 0.50 0.18 0.00 -0.01 0.00 0.00 57.00 57.72 3gjx n GLN 593 Cb 0.23 -1.44 0.87 0.00 1.02 0.00 0.00 30.24 30.93 3gjx n GLN 593 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3gjx h LYS 594 N 0.00 0.00 0.00 -1.09 1.79 -1.29 -2.72 116.57 113.26 3gjx h LYS 594 Ca 0.00 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.46 3gjx h LYS 594 Cb 0.00 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.63 3gjx h LYS 594 CO 0.00 0.00 -0.30 0.00 -1.08 0.00 0.00 179.45 178.07 3gjx h ARG 596 N 0.52 0.48 -0.10 0.00 0.11 -1.09 -1.52 114.38 112.78 3gjx h ARG 596 Ca -0.01 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 59.93 3gjx h ARG 596 Cb 1.05 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 32.01 3gjx h ARG 596 CO 0.00 0.32 -0.45 0.00 0.10 0.00 0.00 179.97 179.94 3gjx h ARG 597 N 0.50 0.25 0.00 0.08 3.08 -1.88 -3.05 114.38 113.35 3gjx h ARG 597 Ca 0.63 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.55 3gjx h ARG 597 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3gjx h ARG 597 CO -0.40 0.65 0.00 0.72 -1.07 0.00 0.00 179.97 179.87 3gjx n HIS 598 N -3.99 0.00 0.22 3.04 8.25 -0.57 -1.65 115.22 120.52 3gjx n HIS 598 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.52 3gjx n HIS 598 Cb 0.51 -0.19 -0.11 0.00 1.12 0.00 0.00 29.99 31.32 3gjx n HIS 598 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gjx n PHE 599 N -1.19 0.00 -0.04 4.41 3.72 -1.15 -4.50 117.46 118.71 3gjx n PHE 599 Ca 0.09 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.50 3gjx n PHE 599 Cb 0.10 -0.25 -0.12 0.00 -0.94 0.00 0.00 39.48 38.27 3gjx n PHE 599 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3gjx n VAL 600 N -1.83 0.44 -4.02 -4.37 0.31 -0.78 -1.06 118.33 107.03 3gjx n VAL 600 Ca -0.01 -0.47 -0.36 0.00 -0.01 0.00 0.00 64.34 63.49 3gjx n VAL 600 Cb 0.36 -0.19 -0.07 0.00 -0.91 0.00 0.00 33.84 33.02 3gjx n VAL 600 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3gjx s GLN 601 N -2.76 3.35 0.08 5.55 -0.21 -0.66 -4.78 119.66 120.24 3gjx s GLN 601 Ca -0.06 -0.21 -0.30 0.00 0.02 0.00 0.00 55.36 54.80 3gjx s GLN 601 Cb 0.07 -3.09 -0.09 0.00 1.00 0.00 0.00 33.01 30.90 3gjx s GLN 601 CO 0.62 0.73 1.88 0.08 -2.12 0.00 0.00 175.29 176.48 3gjx s VAL 602 N -0.91 2.81 0.51 1.09 1.01 -1.26 -4.71 120.40 118.94 3gjx s VAL 602 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3gjx s VAL 602 Cb -0.12 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3gjx s VAL 602 CO 0.03 -0.00 0.74 -1.10 0.00 0.00 0.00 175.10 174.77 3gjx s GLN 603 N 3.55 2.78 0.06 2.72 -1.52 -1.26 -5.01 119.66 120.98 3gjx s GLN 603 Ca 0.84 -0.61 -0.31 0.00 -1.95 0.00 0.00 55.36 53.33 3gjx s GLN 603 Cb -0.44 -2.50 -0.06 0.00 -0.22 0.00 0.00 33.01 29.79 3gjx s GLN 603 CO 0.38 -0.54 1.29 0.08 -0.25 0.00 0.00 175.29 176.26 3gjx s VAL 604 N -2.70 3.75 0.00 1.09 1.01 -1.26 -2.15 120.40 120.15 3gjx s VAL 604 Ca 0.53 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.75 3gjx s VAL 604 Cb -0.10 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.49 3gjx s VAL 604 CO 0.39 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3gjx n GLY 605 N 3.39 0.77 3.23 4.51 0.00 -1.26 -4.94 105.19 110.88 3gjx n GLY 605 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 3gjx n GLY 605 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gjx s GLU 606 N -0.62 1.01 -0.06 1.61 -1.05 -0.91 -5.05 118.70 113.63 3gjx s GLU 606 Ca 0.00 -1.35 0.18 0.00 -0.15 0.00 0.00 54.97 53.64 3gjx s GLU 606 Cb 0.00 -0.66 -0.26 0.00 -0.44 0.00 0.00 34.13 32.76 3gjx s GLU 606 CO 0.00 0.10 0.31 1.33 0.95 0.00 0.00 175.26 177.95 3gjx n VAL 607 N 0.09 0.29 -4.08 1.83 0.24 -1.26 -4.61 118.33 110.84 3gjx n VAL 607 Ca -0.12 -0.49 -0.14 0.00 -2.04 0.00 0.00 64.34 61.54 3gjx n VAL 607 Cb 0.59 -0.08 -0.14 0.00 -1.47 0.00 0.00 33.84 32.75 3gjx n VAL 607 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3gjx s MET 608 N -3.05 0.35 0.14 7.34 -1.94 -1.26 -5.01 119.30 115.87 3gjx s MET 608 Ca -0.07 -0.26 -0.35 0.00 -1.71 0.00 0.00 55.69 53.30 3gjx s MET 608 Cb 0.10 -0.28 -0.15 0.00 2.01 0.00 0.00 34.83 36.51 3gjx s MET 608 CO 0.74 0.07 1.43 -2.30 -0.01 0.00 0.00 175.02 174.96 3gjx n PRO 609 N 2.67 1.68 0.03 2.03 -0.02 -1.26 -4.82 135.00 135.30 3gjx n PRO 609 Ca -0.15 0.60 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 3gjx n PRO 609 Cb 0.58 -2.29 0.58 0.00 -0.02 0.00 0.00 33.50 32.35 3gjx n PRO 609 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3gjx h PHE 610 N 5.01 0.22 -0.76 6.00 3.57 -1.81 -1.22 116.94 127.94 3gjx h PHE 610 Ca -0.46 0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.21 3gjx h PHE 610 Cb 1.29 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.86 3gjx h PHE 610 CO 0.60 0.11 0.26 0.97 -2.23 0.00 0.00 178.31 178.02 3gjx h ILE 611 N 0.21 0.58 -0.40 1.41 6.09 -1.42 -1.46 117.51 122.52 3gjx h ILE 611 Ca 0.20 -0.13 0.08 0.00 -1.37 0.00 0.00 64.86 63.64 3gjx h ILE 611 Cb 0.50 0.18 -0.09 0.00 0.47 0.00 0.00 36.82 37.88 3gjx h ILE 611 CO -0.03 0.07 -0.21 0.44 -3.07 0.00 0.00 178.15 175.34 3gjx h ASP 612 N 0.37 -0.71 -0.71 2.19 5.19 -1.49 0.83 116.42 122.09 3gjx h ASP 612 Ca 0.43 0.16 0.01 0.00 -0.62 0.00 0.00 57.03 57.01 3gjx h ASP 612 Cb 0.71 0.38 -0.04 0.00 0.18 0.00 0.00 39.33 40.56 3gjx h ASP 612 CO -0.46 -0.24 0.47 -0.33 -3.12 0.00 0.00 179.24 175.56 3gjx h GLU 613 N -0.14 0.93 -0.14 3.56 5.08 -1.40 -1.88 114.58 120.59 3gjx h GLU 613 Ca 0.19 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3gjx h GLU 613 Cb 0.44 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3gjx h GLU 613 CO -0.48 0.62 0.04 0.82 -1.00 0.00 0.00 179.01 179.00 3gjx h ILE 614 N 0.96 1.20 -0.10 3.13 2.04 -0.61 -3.14 117.51 120.99 3gjx h ILE 614 Ca 0.26 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3gjx h ILE 614 Cb -0.11 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3gjx h ILE 614 CO -0.06 0.18 -0.07 -0.07 0.00 0.00 0.00 178.15 178.14 3gjx h LEU 615 N 0.04 0.13 0.00 1.44 4.07 -0.46 -2.19 115.31 118.34 3gjx h LEU 615 Ca 0.05 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.99 3gjx h LEU 615 Cb 0.25 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3gjx h LEU 615 CO 0.00 0.23 0.00 0.59 -1.08 0.00 0.00 178.44 178.18 3gjx n ASN 616 N -4.37 0.00 -0.28 -0.43 3.02 -0.75 -3.72 115.26 108.72 3gjx n ASN 616 Ca -0.01 -1.18 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 3gjx n ASN 616 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3gjx n ASN 616 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3gjx n ASN 617 N -0.90 0.00 -0.26 6.41 3.02 -0.86 -4.91 115.26 117.77 3gjx n ASN 617 Ca 0.19 -1.50 0.06 0.00 -0.03 0.00 0.00 54.58 53.29 3gjx n ASN 617 Cb 0.08 -0.10 0.17 0.00 -0.61 0.00 0.00 39.78 39.33 3gjx n ASN 617 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3gjx h ILE 618 N 5.14 0.38 0.09 2.41 2.04 -1.54 -1.24 117.51 124.79 3gjx h ILE 618 Ca 0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3gjx h ILE 618 Cb 1.20 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 3gjx h ILE 618 CO 0.00 0.03 -0.05 -1.13 0.00 0.00 0.00 178.15 177.00 3gjx h ASN 619 N 0.14 -0.11 -0.44 1.72 -0.73 -1.90 -0.57 115.58 113.70 3gjx h ASN 619 Ca 0.42 -0.14 0.09 0.00 1.87 0.00 0.00 56.30 58.54 3gjx h ASN 619 Cb 0.75 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 3gjx h ASN 619 CO -0.63 0.07 0.30 0.71 -0.37 0.00 0.00 177.43 177.51 3gjx h THR 620 N -0.28 0.89 0.16 -3.57 1.35 -1.73 -1.38 112.91 108.35 3gjx h THR 620 Ca -0.01 -0.07 -0.24 0.00 -0.55 0.00 0.00 66.41 65.53 3gjx h THR 620 Cb 0.24 0.65 0.03 0.00 -1.73 0.00 0.00 68.15 67.34 3gjx h THR 620 CO 0.02 0.04 -1.05 0.40 -0.25 0.00 0.00 175.52 174.68 3gjx h ILE 621 N 0.21 1.41 -0.00 6.82 2.04 -0.76 -3.35 117.51 123.88 3gjx h ILE 621 Ca 0.20 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.52 3gjx h ILE 621 Cb 0.52 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3gjx h ILE 621 CO -0.04 0.74 -0.24 2.30 0.00 0.00 0.00 178.15 180.91 3gjx n ILE 622 N -3.97 0.00 -0.00 -0.67 -5.35 -0.27 -4.61 119.36 104.50 3gjx n ILE 622 Ca -0.14 -0.07 -0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3gjx n ILE 622 Cb 0.92 0.15 -0.00 0.00 -1.74 0.00 0.00 39.64 38.96 3gjx n ILE 622 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3gjx n ASP 624 N -4.00 1.42 -4.78 0.00 9.92 -1.26 -4.97 116.55 112.88 3gjx n ASP 624 Ca 0.00 -1.18 -0.36 0.00 -0.53 0.00 0.00 54.79 52.71 3gjx n ASP 624 Cb 0.00 0.72 -0.02 0.00 -0.64 0.00 0.00 41.12 41.18 3gjx n ASP 624 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3gjx s LEU 625 N -2.76 4.02 0.71 0.64 1.43 1.00 -5.03 118.68 118.68 3gjx s LEU 625 Ca 0.13 2.18 -0.11 0.00 -1.03 0.00 0.00 54.13 55.30 3gjx s LEU 625 Cb 0.17 -4.28 0.02 0.00 0.03 0.00 0.00 46.19 42.13 3gjx s LEU 625 CO 0.72 -0.80 1.07 -1.10 0.23 0.00 0.00 176.35 176.48 3gjx s GLN 626 N -2.73 2.81 0.28 1.70 -0.21 -1.26 -4.80 119.66 115.45 3gjx s GLN 626 Ca 0.63 0.75 0.02 0.00 0.02 0.00 0.00 55.36 56.77 3gjx s GLN 626 Cb -0.25 -1.99 0.68 0.00 1.00 0.00 0.00 33.01 32.44 3gjx s GLN 626 CO 0.31 -1.13 1.69 -1.35 -2.12 0.00 0.00 175.29 172.68 3gjx h PRO 627 N -0.74 0.34 -0.38 2.91 0.11 -1.99 -1.01 132.00 131.24 3gjx h PRO 627 Ca -0.45 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3gjx h PRO 627 Cb 1.23 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3gjx h PRO 627 CO 0.60 0.22 -0.09 0.37 -0.21 0.00 0.00 178.00 178.89 3gjx h GLN 628 N 0.35 0.72 -0.66 1.05 4.15 -2.00 -2.31 115.11 116.41 3gjx h GLN 628 Ca 0.53 -0.27 -0.05 0.00 0.77 0.00 0.00 58.65 59.63 3gjx h GLN 628 Cb 1.00 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 3gjx h GLN 628 CO -0.55 0.87 0.22 1.96 -1.93 0.00 0.00 178.83 179.41 3gjx h GLN 629 N 0.52 0.99 -0.81 1.69 4.20 -1.70 -1.77 115.11 118.24 3gjx h GLN 629 Ca 0.10 -0.18 0.02 0.00 0.06 0.00 0.00 58.65 58.65 3gjx h GLN 629 Cb 0.60 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.18 3gjx h GLN 629 CO 0.04 0.83 0.53 0.28 -0.67 0.00 0.00 178.83 179.84 3gjx h VAL 630 N 0.96 1.16 0.01 -0.54 2.07 -0.93 0.04 116.25 119.03 3gjx h VAL 630 Ca 0.22 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3gjx h VAL 630 Cb 0.24 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 3gjx h VAL 630 CO -0.01 0.19 -0.01 0.45 0.02 0.00 0.00 177.57 178.21 3gjx h HIS 631 N 1.03 -0.02 -0.81 1.57 3.86 -0.79 -0.97 115.15 119.03 3gjx h HIS 631 Ca 0.31 -0.00 0.18 0.00 -1.16 0.00 0.00 60.37 59.70 3gjx h HIS 631 Cb -0.02 0.01 -0.11 0.00 1.06 0.00 0.00 27.41 28.34 3gjx h HIS 631 CO -0.00 0.38 0.28 1.15 0.86 0.00 0.00 177.93 180.61 3gjx h THR 632 N -0.42 0.52 -0.72 2.45 2.02 -1.27 -0.52 112.91 114.96 3gjx h THR 632 Ca -0.00 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 3gjx h THR 632 Cb 0.41 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 66.92 3gjx h THR 632 CO 0.00 0.06 0.30 0.15 0.37 0.00 0.00 175.52 176.41 3gjx h PHE 633 N 0.35 1.08 -0.21 3.16 3.57 -0.60 -0.81 116.94 123.48 3gjx h PHE 633 Ca 0.48 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.79 3gjx h PHE 633 Cb 0.84 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3gjx h PHE 633 CO -0.20 0.82 -0.34 1.88 -2.23 0.00 0.00 178.31 178.25 3gjx h TYR 634 N 1.03 0.51 -0.34 0.41 0.05 -0.24 -2.10 116.97 116.30 3gjx h TYR 634 Ca 0.24 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.84 3gjx h TYR 634 Cb 0.19 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3gjx h TYR 634 CO 0.01 0.73 -0.02 1.49 -1.05 0.00 0.00 178.16 179.32 3gjx h GLU 635 N 0.38 0.61 -0.21 4.88 4.81 -0.79 -2.52 114.58 121.73 3gjx h GLU 635 Ca 0.04 -0.20 0.06 0.00 -0.13 0.00 0.00 59.36 59.13 3gjx h GLU 635 Cb 0.78 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.04 3gjx h GLU 635 CO 0.06 0.74 -0.25 0.00 -0.73 0.00 0.00 179.01 178.84 3gjx h ALA 636 N 0.84 -0.17 0.00 2.92 0.00 -0.86 -1.51 119.26 120.48 3gjx h ALA 636 Ca 0.09 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3gjx h ALA 636 Cb 0.48 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3gjx h ALA 636 CO 0.02 -0.69 -0.17 0.28 0.00 0.00 0.00 179.25 178.70 3gjx h VAL 637 N -0.27 0.87 -0.61 0.00 2.07 -1.32 -2.57 116.25 114.42 3gjx h VAL 637 Ca 0.13 -0.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3gjx h VAL 637 Cb 0.47 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3gjx h VAL 637 CO -0.37 0.16 0.03 1.23 0.02 0.00 0.00 177.57 178.64 3gjx h GLY 638 N 0.72 1.14 0.96 2.17 0.00 -0.83 -1.68 103.07 105.54 3gjx h GLY 638 Ca -0.00 -0.81 0.09 0.00 0.00 0.00 0.00 47.33 46.61 3gjx h GLY 638 CO 0.02 0.74 0.47 -0.97 0.00 0.00 0.00 176.54 176.81 3gjx h TYR 639 N 0.97 0.68 0.65 5.60 0.05 -1.01 -0.62 116.97 123.29 3gjx h TYR 639 Ca 0.18 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.94 3gjx h TYR 639 Cb 0.52 -0.22 0.01 0.00 1.01 0.00 0.00 36.73 38.04 3gjx h TYR 639 CO 0.04 0.34 -0.31 0.52 -1.05 0.00 0.00 178.16 177.69 3gjx h MET 640 N 0.65 -0.84 -0.15 4.88 2.86 -1.46 -3.26 114.93 117.61 3gjx h MET 640 Ca 0.32 0.06 0.04 0.00 -2.06 0.00 0.00 59.70 58.06 3gjx h MET 640 Cb 0.41 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 3gjx h MET 640 CO -0.11 -0.52 0.11 0.82 1.06 0.00 0.00 176.91 178.27 3gjx h ILE 641 N -1.07 0.89 0.00 -1.22 2.04 -0.92 0.11 117.51 117.34 3gjx h ILE 641 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3gjx h ILE 641 Cb 0.71 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 3gjx h ILE 641 CO 0.15 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.91 3gjx n GLY 642 N -1.55 -1.00 0.36 5.37 0.00 -0.28 -2.92 105.19 105.17 3gjx n GLY 642 Ca 0.01 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3gjx n GLY 642 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gjx n ALA 643 N -1.09 3.66 -2.87 4.61 0.00 0.02 -4.77 120.51 120.07 3gjx n ALA 643 Ca 0.19 -0.58 -0.44 0.00 0.00 0.00 0.00 53.44 52.61 3gjx n ALA 643 Cb 0.14 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.67 3gjx n ALA 643 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3gjx s GLN 644 N -2.58 3.11 0.02 0.00 2.00 -1.15 -4.88 119.66 116.17 3gjx s GLN 644 Ca 0.18 -0.99 0.25 0.00 -2.00 0.00 0.00 55.36 52.79 3gjx s GLN 644 Cb 0.18 -4.15 0.41 0.00 0.80 0.00 0.00 33.01 30.25 3gjx s GLN 644 CO 0.61 -1.36 1.35 0.25 -0.50 0.00 0.00 175.29 175.64 3gjx n THR 645 N 5.64 0.05 -2.41 -0.34 -2.24 -1.26 -4.55 114.28 109.16 3gjx n THR 645 Ca -0.07 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.24 3gjx n THR 645 Cb 0.45 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3gjx n THR 645 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gjx s ASP 646 N -3.19 6.35 0.36 3.42 -1.08 -1.26 -4.91 116.67 116.36 3gjx s ASP 646 Ca 0.10 0.61 0.04 0.00 -0.52 0.00 0.00 52.55 52.78 3gjx s ASP 646 Cb 0.17 -2.54 0.71 0.00 -1.46 0.00 0.00 42.92 39.80 3gjx s ASP 646 CO 0.72 -1.47 2.00 -0.61 0.52 0.00 0.00 175.17 176.33 3gjx h GLN 647 N 10.48 0.75 0.79 4.34 4.15 -1.99 -0.83 115.11 132.81 3gjx h GLN 647 Ca -0.26 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.07 3gjx h GLN 647 Cb 1.09 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 28.62 3gjx h GLN 647 CO 1.12 0.50 -0.38 1.15 -1.93 0.00 0.00 178.83 179.28 3gjx h THR 648 N 0.77 0.17 -1.01 2.39 2.02 -1.96 -1.23 112.91 114.07 3gjx h THR 648 Ca 0.25 -0.09 0.10 0.00 0.77 0.00 0.00 66.41 67.44 3gjx h THR 648 Cb 0.06 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 66.58 3gjx h THR 648 CO -0.07 0.01 0.64 0.58 0.37 0.00 0.00 175.52 177.05 3gjx h VAL 649 N -1.14 1.00 -0.48 3.16 2.07 -1.89 -2.47 116.25 116.50 3gjx h VAL 649 Ca -0.11 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3gjx h VAL 649 Cb 0.83 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3gjx h VAL 649 CO 0.18 0.20 0.11 -0.61 0.02 0.00 0.00 177.57 177.46 3gjx h GLN 650 N 1.08 0.77 -0.42 1.57 4.15 -1.10 -1.13 115.11 120.03 3gjx h GLN 650 Ca 0.47 -0.19 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 3gjx h GLN 650 Cb 0.35 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3gjx h GLN 650 CO -0.22 0.76 0.16 0.93 -1.93 0.00 0.00 178.83 178.53 3gjx h GLU 651 N 0.65 0.64 -0.87 1.69 5.08 -0.81 -0.20 114.58 120.76 3gjx h GLU 651 Ca 0.15 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3gjx h GLU 651 Cb 0.34 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 3gjx h GLU 651 CO 0.00 0.61 0.57 0.45 -1.00 0.00 0.00 179.01 179.64 3gjx h HIS 652 N 0.54 1.07 -0.69 4.33 3.86 -1.37 -1.72 115.15 121.17 3gjx h HIS 652 Ca 0.14 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.46 3gjx h HIS 652 Cb 0.21 -0.36 -0.07 0.00 1.06 0.00 0.00 27.41 28.26 3gjx h HIS 652 CO 0.00 0.64 0.35 -0.07 0.86 0.00 0.00 177.93 179.71 3gjx h LEU 653 N 1.12 0.48 -0.66 2.43 4.07 -0.56 -2.46 115.31 119.74 3gjx h LEU 653 Ca 0.34 0.05 -0.15 0.00 0.08 0.00 0.00 57.88 58.20 3gjx h LEU 653 Cb -0.05 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 3gjx h LEU 653 CO -0.10 0.29 -0.59 0.40 -1.08 0.00 0.00 178.44 177.36 3gjx h ILE 654 N 0.62 1.38 -0.26 1.22 2.04 -0.45 -1.48 117.51 120.58 3gjx h ILE 654 Ca 0.33 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.22 3gjx h ILE 654 Cb 0.30 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 3gjx h ILE 654 CO -0.24 0.58 0.12 -0.33 0.00 0.00 0.00 178.15 178.28 3gjx h GLU 655 N 0.19 0.38 -0.53 2.37 5.08 -1.02 -2.72 114.58 118.33 3gjx h GLU 655 Ca -0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3gjx h GLU 655 Cb 1.10 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 3gjx h GLU 655 CO 0.09 0.38 0.05 -0.22 -1.00 0.00 0.00 179.01 178.31 3gjx h LYS 656 N 0.29 0.90 -0.39 2.33 3.11 -1.31 -2.92 116.57 118.57 3gjx h LYS 656 Ca 0.09 -0.26 0.02 0.00 -2.81 0.00 0.00 60.65 57.69 3gjx h LYS 656 Cb 0.13 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.25 3gjx h LYS 656 CO -0.01 0.89 0.26 -0.92 -2.81 0.00 0.00 179.45 176.86 3gjx h TYR 657 N 0.77 0.42 -0.38 1.91 3.20 -1.22 -2.43 116.97 119.24 3gjx h TYR 657 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.04 3gjx h TYR 657 Cb 0.46 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3gjx h TYR 657 CO 0.03 0.25 0.00 -1.33 -1.64 0.00 0.00 178.16 175.47 3gjx n MET 658 N -4.48 3.15 -0.03 1.82 2.81 -1.03 -4.62 117.12 114.74 3gjx n MET 658 Ca 0.04 -2.59 -0.13 0.00 -1.81 0.00 0.00 57.70 53.21 3gjx n MET 658 Cb 0.13 -1.67 -0.00 0.00 -0.71 0.00 0.00 33.22 30.97 3gjx n MET 658 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3gjx h LEU 659 N 2.43 0.80 0.65 4.03 6.46 -1.24 -0.31 115.31 128.13 3gjx h LEU 659 Ca 0.00 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.28 3gjx h LEU 659 Cb 1.22 -0.23 0.01 0.00 -0.73 0.00 0.00 40.66 40.93 3gjx h LEU 659 CO 0.16 1.22 -0.31 -0.07 -0.62 0.00 0.00 178.44 178.81 3gjx h LEU 660 N 0.53 -0.74 -0.52 2.25 4.07 -1.82 -1.78 115.31 117.30 3gjx h LEU 660 Ca -0.00 0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.05 3gjx h LEU 660 Cb 1.19 0.19 -0.06 0.00 1.08 0.00 0.00 40.66 43.05 3gjx h LEU 660 CO 0.12 -0.35 0.17 -0.65 -1.08 0.00 0.00 178.44 176.65 3gjx h PRO 661 N -1.21 0.32 -0.91 1.13 0.11 -1.88 -1.51 132.00 128.05 3gjx h PRO 661 Ca -0.09 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.15 3gjx h PRO 661 Cb 0.68 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.64 3gjx h PRO 661 CO 0.15 0.21 0.58 -0.91 -0.21 0.00 0.00 178.00 177.82 3gjx h ASN 662 N 0.33 0.65 0.30 -2.05 2.35 -1.08 -0.95 115.58 115.13 3gjx h ASN 662 Ca 0.26 0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 3gjx h ASN 662 Cb 0.30 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3gjx h ASN 662 CO -0.28 0.32 -0.14 1.56 -1.65 0.00 0.00 177.43 177.23 3gjx h GLN 663 N 0.68 -0.39 0.36 0.81 4.20 -0.35 0.46 115.11 120.89 3gjx h GLN 663 Ca 0.46 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.19 3gjx h GLN 663 Cb 0.77 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3gjx h GLN 663 CO -0.22 -0.23 -0.34 0.28 -0.67 0.00 0.00 178.83 177.65 3gjx h VAL 664 N -0.44 0.30 -0.81 -0.54 2.07 -1.32 -1.39 116.25 114.12 3gjx h VAL 664 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 3gjx h VAL 664 Cb 0.34 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 3gjx h VAL 664 CO 0.07 0.00 0.36 -0.25 0.02 0.00 0.00 177.57 177.76 3gjx h TRP 665 N -0.72 0.61 -0.65 1.57 2.91 -0.96 0.19 115.95 118.91 3gjx h TRP 665 Ca -0.03 0.04 -0.08 0.00 1.13 0.00 0.00 58.89 59.95 3gjx h TRP 665 Cb 0.64 -0.15 -0.03 0.00 -0.51 0.00 0.00 29.16 29.12 3gjx h TRP 665 CO -0.19 0.08 0.11 -0.44 -1.03 0.00 0.00 178.44 176.97 3gjx h ASP 666 N 0.49 1.03 -0.32 2.65 5.19 0.05 -0.93 116.42 124.57 3gjx h ASP 666 Ca 0.45 -0.26 -0.01 0.00 -0.62 0.00 0.00 57.03 56.59 3gjx h ASP 666 Cb 0.71 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 3gjx h ASP 666 CO -0.41 1.03 0.16 -1.28 -3.12 0.00 0.00 179.24 175.61 3gjx h SER 667 N 0.99 0.42 -0.71 6.45 0.87 0.41 -0.93 113.55 121.06 3gjx h SER 667 Ca 0.20 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.59 3gjx h SER 667 Cb 0.43 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 3gjx h SER 667 CO 0.01 0.42 0.25 0.40 -0.53 0.00 0.00 176.83 177.38 3gjx h ILE 668 N 0.39 1.25 -0.74 2.23 2.04 -0.74 -2.73 117.51 119.21 3gjx h ILE 668 Ca 0.11 -0.84 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 3gjx h ILE 668 Cb 0.11 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3gjx h ILE 668 CO -0.01 0.33 0.36 0.40 0.00 0.00 0.00 178.15 179.23 3gjx h ILE 669 N 1.03 1.23 -0.27 -0.67 1.08 -0.83 -1.69 117.51 117.40 3gjx h ILE 669 Ca 0.23 -0.65 -0.01 0.00 -0.39 0.00 0.00 64.86 64.04 3gjx h ILE 669 Cb 0.27 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 3gjx h ILE 669 CO -0.01 0.28 0.12 1.56 -0.69 0.00 0.00 178.15 179.40 3gjx h GLN 670 N 1.05 0.40 -0.11 2.37 4.20 -0.96 -1.99 115.11 120.07 3gjx h GLN 670 Ca 0.26 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3gjx h GLN 670 Cb 0.10 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3gjx h GLN 670 CO -0.03 0.41 -0.13 1.96 -0.67 0.00 0.00 178.83 180.37 3gjx h GLN 671 N 0.29 0.17 0.00 1.46 4.20 -1.23 -2.07 115.11 117.93 3gjx h GLN 671 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3gjx h GLN 671 Cb 0.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3gjx h GLN 671 CO -0.01 0.30 0.00 0.00 -0.67 0.00 0.00 178.83 178.45 3gjx h ALA 672 N 1.72 1.00 -0.39 3.87 0.00 -1.00 -2.44 119.26 122.03 3gjx h ALA 672 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3gjx h ALA 672 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3gjx h ALA 672 CO 0.02 0.00 -0.17 1.15 0.00 0.00 0.00 179.25 180.25 3gjx h THR 673 N 0.00 1.26 0.00 0.00 2.02 -0.63 -3.12 112.91 112.44 3gjx h THR 673 Ca 0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 3gjx h THR 673 Cb 0.91 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 3gjx h THR 673 CO 0.00 0.41 -0.62 0.29 0.37 0.00 0.00 175.52 175.97 3gjx n LYS 674 N -4.14 0.01 -2.94 6.66 5.02 -1.10 -4.86 118.16 116.81 3gjx n LYS 674 Ca 0.01 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.33 3gjx n LYS 674 Cb 0.39 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3gjx n LYS 674 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3gjx s ASN 675 N -3.03 -0.37 0.00 4.39 2.47 -0.94 -5.01 114.94 112.45 3gjx s ASN 675 Ca 0.10 -0.09 0.07 0.00 0.42 0.00 0.00 52.86 53.36 3gjx s ASN 675 Cb 0.17 0.79 0.38 0.00 -1.45 0.00 0.00 41.25 41.14 3gjx s ASN 675 CO 0.74 -0.05 1.00 1.33 -3.72 0.00 0.00 177.10 176.40 3gjx n VAL 676 N 4.29 0.53 0.11 -5.21 0.24 -1.24 -2.76 118.33 114.29 3gjx n VAL 676 Ca 0.07 0.13 -0.02 0.00 -2.04 0.00 0.00 64.34 62.49 3gjx n VAL 676 Cb 0.61 -1.02 0.21 0.00 -1.47 0.00 0.00 33.84 32.17 3gjx n VAL 676 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3gjx h ASP 677 N 0.00 0.18 0.00 -1.34 5.19 -1.92 -2.96 116.42 115.58 3gjx h ASP 677 Ca 0.00 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3gjx h ASP 677 Cb 0.04 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 3gjx h ASP 677 CO 0.00 0.64 -0.00 0.16 -3.12 0.00 0.00 179.24 176.91 3gjx h ILE 678 N 0.13 0.69 0.00 0.35 -0.00 -1.85 0.27 117.51 117.10 3gjx h ILE 678 Ca 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 64.86 64.86 3gjx h ILE 678 Cb 0.90 1.01 0.00 0.00 -0.00 0.00 0.00 36.82 38.73 3gjx h ILE 678 CO 0.07 0.00 0.00 0.18 -0.00 0.00 0.00 178.15 178.40 3gjx n LEU 679 N -4.09 0.12 0.00 0.16 4.77 -1.12 0.03 117.00 116.87 3gjx n LEU 679 Ca -0.03 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3gjx n LEU 679 Cb 0.09 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3gjx n LEU 679 CO 0.30 0.03 0.00 1.17 -1.33 0.00 0.00 177.39 177.56 3gjx n LYS 680 N -0.28 3.25 -2.16 3.23 4.81 0.92 -4.85 118.16 123.09 3gjx n LYS 680 Ca 0.00 -0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 3gjx n LYS 680 Cb 0.03 -0.23 -0.03 0.00 0.02 0.00 0.00 35.03 34.82 3gjx n LYS 680 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3gjx s ASP 681 N -0.46 6.78 0.21 3.14 2.15 0.10 -4.93 116.67 123.66 3gjx s ASP 681 Ca 0.00 2.12 -0.09 0.00 0.43 0.00 0.00 52.55 55.01 3gjx s ASP 681 Cb 0.00 -2.55 0.31 0.00 -0.30 0.00 0.00 42.92 40.38 3gjx s ASP 681 CO 0.00 -0.81 1.70 -0.65 -0.17 0.00 0.00 175.17 175.25 3gjx h PRO 682 N 8.48 0.26 -0.40 4.34 0.11 -1.95 -1.46 132.00 141.37 3gjx h PRO 682 Ca -0.37 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3gjx h PRO 682 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3gjx h PRO 682 CO 0.93 0.17 -0.00 1.49 -0.21 0.00 0.00 178.00 180.38 3gjx h GLU 683 N 0.27 0.72 -0.51 1.05 4.57 -1.93 -0.22 114.58 118.51 3gjx h GLU 683 Ca 0.32 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 3gjx h GLU 683 Cb 0.49 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 3gjx h GLU 683 CO -0.41 0.80 -0.14 1.79 -1.18 0.00 0.00 179.01 179.87 3gjx h THR 684 N 0.54 1.27 -0.11 0.32 1.35 -1.76 0.84 112.91 115.36 3gjx h THR 684 Ca 0.11 -1.30 -0.13 0.00 -0.55 0.00 0.00 66.41 64.55 3gjx h THR 684 Cb 0.48 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 3gjx h THR 684 CO 0.02 0.45 -0.50 -0.37 -0.25 0.00 0.00 175.52 174.87 3gjx h VAL 685 N 0.87 1.34 -0.49 6.82 -1.51 -1.12 0.26 116.25 122.43 3gjx h VAL 685 Ca 0.13 -1.74 0.08 0.00 -1.23 0.00 0.00 66.70 63.94 3gjx h VAL 685 Cb 0.70 1.81 -0.07 0.00 -2.13 0.00 0.00 31.29 31.61 3gjx h VAL 685 CO 0.05 0.52 0.12 0.50 -1.23 0.00 0.00 177.57 177.53 3gjx h LYS 686 N 0.24 0.25 -0.17 5.19 3.11 -0.61 -1.90 116.57 122.68 3gjx h LYS 686 Ca 0.01 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 3gjx h LYS 686 Cb 0.97 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.14 3gjx h LYS 686 CO 0.08 0.17 0.04 1.96 -2.81 0.00 0.00 179.45 178.89 3gjx h GLN 687 N 0.26 0.27 -0.87 1.90 4.20 0.10 -2.89 115.11 118.08 3gjx h GLN 687 Ca 0.24 -0.06 0.18 0.00 0.06 0.00 0.00 58.65 59.07 3gjx h GLN 687 Cb 0.31 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.99 3gjx h GLN 687 CO -0.30 0.41 0.57 -0.07 -0.67 0.00 0.00 178.83 178.77 3gjx h LEU 688 N 0.09 0.45 -0.23 1.46 3.38 -0.21 0.87 115.31 121.12 3gjx h LEU 688 Ca 0.05 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 3gjx h LEU 688 Cb 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3gjx h LEU 688 CO 0.00 0.20 -0.64 1.23 0.09 0.00 0.00 178.44 179.33 3gjx h GLY 689 N 0.46 0.92 1.56 0.83 0.00 -1.15 -1.68 103.07 104.02 3gjx h GLY 689 Ca 0.45 -1.17 -0.14 0.00 0.00 0.00 0.00 47.33 46.47 3gjx h GLY 689 CO -0.17 1.04 -0.49 0.23 0.00 0.00 0.00 176.54 177.15 3gjx h SER 690 N 0.61 0.51 -0.50 0.19 0.87 -1.11 0.13 113.55 114.24 3gjx h SER 690 Ca -0.01 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 3gjx h SER 690 Cb 1.26 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.05 3gjx h SER 690 CO 0.14 0.92 0.22 0.40 -0.53 0.00 0.00 176.83 177.98 3gjx h ILE 691 N 0.37 1.20 -0.06 2.23 2.04 -0.85 -1.79 117.51 120.65 3gjx h ILE 691 Ca 0.02 -0.60 -0.13 0.00 1.00 0.00 0.00 64.86 65.14 3gjx h ILE 691 Cb 1.00 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 3gjx h ILE 691 CO 0.09 0.23 -0.56 -0.07 0.00 0.00 0.00 178.15 177.84 3gjx h LEU 692 N 0.67 0.19 -0.86 1.44 3.38 -0.89 -2.04 115.31 117.20 3gjx h LEU 692 Ca 0.17 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3gjx h LEU 692 Cb 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3gjx h LEU 692 CO -0.02 0.71 0.04 0.11 0.09 0.00 0.00 178.44 179.37 3gjx h LYS 693 N 0.13 0.88 -0.60 1.13 1.57 -0.66 -1.27 116.57 117.76 3gjx h LYS 693 Ca -0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3gjx h LYS 693 Cb 1.02 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 3gjx h LYS 693 CO 0.08 0.86 0.39 1.15 -0.57 0.00 0.00 179.45 181.36 3gjx h THR 694 N 0.83 1.16 -0.61 -0.16 2.02 -0.96 -2.74 112.91 112.44 3gjx h THR 694 Ca 0.16 -0.31 -0.09 0.00 0.77 0.00 0.00 66.41 66.93 3gjx h THR 694 Cb 0.44 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3gjx h THR 694 CO 0.02 0.16 0.01 0.78 0.37 0.00 0.00 175.52 176.86 3gjx h ASN 695 N 0.81 1.05 -0.43 4.18 2.35 -0.89 -1.25 115.58 121.40 3gjx h ASN 695 Ca 0.22 -0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.69 3gjx h ASN 695 Cb -0.07 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 37.99 3gjx h ASN 695 CO -0.05 1.09 0.25 0.58 -1.65 0.00 0.00 177.43 177.66 3gjx h VAL 696 N 0.97 1.04 0.12 2.81 2.07 -1.17 0.21 116.25 122.29 3gjx h VAL 696 Ca 0.17 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 3gjx h VAL 696 Cb 0.55 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3gjx h VAL 696 CO 0.03 0.09 -0.07 0.03 0.02 0.00 0.00 177.57 177.67 3gjx h ARG 697 N 0.50 -0.17 -0.79 1.57 2.47 -1.31 0.10 114.38 116.76 3gjx h ARG 697 Ca 0.17 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.98 3gjx h ARG 697 Cb 0.02 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.31 3gjx h ARG 697 CO -0.08 -0.11 0.45 0.00 0.56 0.00 0.00 179.97 180.79 3gjx h ALA 698 N 0.71 1.09 -0.25 0.04 0.00 -0.98 -1.50 119.26 118.37 3gjx h ALA 698 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3gjx h ALA 698 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3gjx h ALA 698 CO 0.02 0.12 -0.08 0.00 0.00 0.00 0.00 179.25 179.30 3gjx h LYS 700 N 0.22 0.31 0.13 0.00 3.64 -0.28 -2.28 116.57 118.31 3gjx h LYS 700 Ca 0.06 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.16 3gjx h LYS 700 Cb 0.56 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 3gjx h LYS 700 CO 0.03 0.21 -1.30 0.00 -2.27 0.00 0.00 179.45 176.12 3gjx h ALA 701 N 1.84 0.10 0.14 5.00 0.00 -0.78 -3.39 119.26 122.17 3gjx h ALA 701 Ca 0.08 -0.99 -0.30 0.00 0.00 0.00 0.00 54.91 53.71 3gjx h ALA 701 Cb -0.02 0.38 0.03 0.00 0.00 0.00 0.00 17.79 18.17 3gjx h ALA 701 CO -0.02 0.73 -1.27 0.28 0.00 0.00 0.00 179.25 178.97 3gjx h VAL 702 N -0.28 1.32 0.00 0.00 2.07 -0.97 -3.39 116.25 115.01 3gjx h VAL 702 Ca -0.27 -2.59 0.00 0.00 0.82 0.00 0.00 66.70 64.66 3gjx h VAL 702 Cb 1.77 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 34.32 3gjx h VAL 702 CO 0.10 0.78 0.00 0.61 0.02 0.00 0.00 177.57 179.08 3gjx n GLY 703 N 1.43 -1.73 0.26 2.17 0.00 -0.87 -4.47 105.19 101.98 3gjx n GLY 703 Ca -0.13 -1.46 0.13 0.00 0.00 0.00 0.00 46.02 44.56 3gjx n GLY 703 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3gjx n HIS 704 N 0.00 0.55 0.16 1.61 -0.00 -1.24 -0.35 115.22 115.95 3gjx n HIS 704 Ca 0.00 0.91 0.08 0.00 0.46 0.00 0.00 57.72 59.18 3gjx n HIS 704 Cb 0.00 -1.11 0.44 0.00 -0.12 0.00 0.00 29.99 29.20 3gjx n HIS 704 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 3gjx n PRO 705 N -5.01 0.11 0.31 1.57 -0.02 -1.26 -0.73 135.00 129.97 3gjx n PRO 705 Ca 0.20 0.59 0.19 0.00 -2.02 0.00 0.00 63.50 62.46 3gjx n PRO 705 Cb 0.65 -2.02 1.00 0.00 -0.02 0.00 0.00 33.50 33.10 3gjx n PRO 705 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3gjx h PHE 706 N 0.00 0.00 -1.70 6.00 3.04 -0.98 -2.87 116.94 120.44 3gjx h PHE 706 Ca 0.00 0.00 0.50 0.00 3.98 0.00 0.00 57.97 62.45 3gjx h PHE 706 Cb 0.33 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.77 3gjx h PHE 706 CO 0.00 0.02 1.21 -0.24 -2.02 0.00 0.00 178.31 177.28 3gjx h VAL 707 N 0.00 0.14 -0.21 1.41 3.04 -1.15 0.41 116.25 119.89 3gjx h VAL 707 Ca -0.00 -0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.72 3gjx h VAL 707 Cb 0.17 0.13 -0.03 0.00 -2.01 0.00 0.00 31.29 29.54 3gjx h VAL 707 CO 0.00 0.00 -0.01 -0.29 -1.01 0.00 0.00 177.57 176.26 3gjx h ILE 708 N 0.01 0.84 0.02 3.17 6.09 -1.77 -0.32 117.51 125.55 3gjx h ILE 708 Ca 0.82 -0.02 -0.00 0.00 -1.37 0.00 0.00 64.86 64.29 3gjx h ILE 708 Cb 3.24 0.79 0.00 0.00 0.47 0.00 0.00 36.82 41.32 3gjx h ILE 708 CO -0.04 0.01 -0.01 -0.61 -3.07 0.00 0.00 178.15 174.43 3gjx h GLN 709 N 0.05 -0.02 -0.93 2.19 5.75 -0.44 -3.27 115.11 118.44 3gjx h GLN 709 Ca 0.10 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3gjx h GLN 709 Cb 0.13 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 3gjx h GLN 709 CO -0.17 0.74 0.56 1.25 -2.65 0.00 0.00 178.83 178.56 3gjx h LEU 710 N -0.88 1.12 -2.39 -2.39 5.85 -1.49 -0.00 115.31 115.13 3gjx h LEU 710 Ca -0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3gjx h LEU 710 Cb 0.78 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.52 3gjx h LEU 710 CO 0.00 0.85 0.00 1.23 -0.34 0.00 0.00 178.44 180.19 3gjx h GLY 711 N 1.29 0.00 1.72 3.75 0.00 -1.18 0.86 103.07 109.50 3gjx h GLY 711 Ca 0.33 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.41 3gjx h GLY 711 CO -0.06 0.00 -1.19 -0.09 0.00 0.00 0.00 176.54 175.20 3gjx h ARG 712 N 0.00 0.21 -0.00 4.80 2.43 -1.04 -3.36 114.38 117.41 3gjx h ARG 712 Ca 0.00 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3gjx h ARG 712 Cb 0.08 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3gjx h ARG 712 CO 0.00 1.17 -0.24 0.44 -1.51 0.00 0.00 179.97 179.82 3gjx n ILE 713 N -3.49 0.00 -0.07 1.20 -5.35 -0.58 -4.81 119.36 106.26 3gjx n ILE 713 Ca -0.06 -0.38 -0.11 0.00 -0.27 0.00 0.00 62.75 61.93 3gjx n ILE 713 Cb 1.00 1.08 -0.08 0.00 -1.74 0.00 0.00 39.64 39.91 3gjx n ILE 713 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3gjx h TYR 714 N 0.74 -1.27 -0.51 4.28 3.20 0.56 0.68 116.97 124.66 3gjx h TYR 714 Ca 0.00 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 3gjx h TYR 714 Cb 0.28 0.59 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3gjx h TYR 714 CO 0.00 -0.38 0.17 -0.07 -1.64 0.00 0.00 178.16 176.24 3gjx h LEU 715 N -0.35 0.73 -0.43 2.82 3.38 -1.86 -1.89 115.31 117.71 3gjx h LEU 715 Ca 0.04 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 3gjx h LEU 715 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3gjx h LEU 715 CO -0.41 0.73 0.12 0.44 0.09 0.00 0.00 178.44 179.40 3gjx h ASP 716 N 0.69 0.65 -0.69 -0.43 3.45 -1.86 -1.01 116.42 117.21 3gjx h ASP 716 Ca 0.16 -0.22 0.12 0.00 0.43 0.00 0.00 57.03 57.53 3gjx h ASP 716 Cb 0.25 -0.17 -0.09 0.00 -0.56 0.00 0.00 39.33 38.77 3gjx h ASP 716 CO -0.01 0.70 0.24 -0.03 -1.57 0.00 0.00 179.24 178.57 3gjx h MET 717 N 0.56 0.39 -0.35 3.56 4.05 -0.65 -0.74 114.93 121.76 3gjx h MET 717 Ca 0.14 -0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.42 3gjx h MET 717 Cb 0.30 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3gjx h MET 717 CO -0.00 0.25 -0.25 -0.07 0.23 0.00 0.00 176.91 177.08 3gjx h LEU 718 N 0.40 0.71 -0.68 3.39 3.38 -1.01 0.94 115.31 122.43 3gjx h LEU 718 Ca 0.37 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3gjx h LEU 718 Cb 0.53 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 3gjx h LEU 718 CO -0.38 0.93 0.41 0.78 0.09 0.00 0.00 178.44 180.28 3gjx h ASN 719 N 0.61 0.66 -0.16 -0.43 2.35 -0.45 -1.09 115.58 117.07 3gjx h ASN 719 Ca 0.08 0.01 -0.20 0.00 -0.55 0.00 0.00 56.30 55.64 3gjx h ASN 719 Cb 0.74 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3gjx h ASN 719 CO 0.06 0.45 -0.67 -0.37 -1.65 0.00 0.00 177.43 175.25 3gjx h VAL 720 N 0.80 1.29 -0.63 2.81 -1.51 -0.94 -1.65 116.25 116.41 3gjx h VAL 720 Ca 0.28 -1.87 0.13 0.00 -1.23 0.00 0.00 66.70 64.01 3gjx h VAL 720 Cb 0.07 1.83 -0.11 0.00 -2.13 0.00 0.00 31.29 30.94 3gjx h VAL 720 CO -0.13 0.60 -0.08 0.22 -1.23 0.00 0.00 177.57 176.95 3gjx h TYR 721 N 0.57 -0.19 0.00 5.19 3.20 -0.55 0.12 116.97 125.31 3gjx h TYR 721 Ca -0.02 0.05 -0.18 0.00 3.14 0.00 0.00 58.73 61.72 3gjx h TYR 721 Cb 1.28 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 3gjx h TYR 721 CO 0.07 -0.23 -0.85 -0.22 -1.64 0.00 0.00 178.16 175.30 3gjx h LYS 722 N 0.05 0.02 0.19 1.82 3.64 -1.13 -0.72 116.57 120.44 3gjx h LYS 722 Ca 0.32 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 3gjx h LYS 722 Cb 0.51 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 3gjx h LYS 722 CO -0.60 0.86 -0.09 0.00 -2.27 0.00 0.00 179.45 177.35 3gjx h LEU 724 N -0.29 1.01 -0.92 0.00 3.38 -0.68 -2.11 115.31 115.70 3gjx h LEU 724 Ca -0.03 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3gjx h LEU 724 Cb 0.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gjx h LEU 724 CO 0.04 0.83 0.07 -1.28 0.09 0.00 0.00 178.44 178.19 3gjx h SER 725 N 1.13 0.82 -0.20 -0.43 0.87 -1.04 -1.66 113.55 113.04 3gjx h SER 725 Ca 0.28 -0.18 -0.17 0.00 -1.23 0.00 0.00 61.79 60.49 3gjx h SER 725 Cb 0.05 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3gjx h SER 725 CO -0.04 0.84 -0.52 -0.33 -0.53 0.00 0.00 176.83 176.24 3gjx h GLU 726 N 0.82 0.78 0.18 2.24 5.08 -1.13 -2.32 114.58 120.23 3gjx h GLU 726 Ca 0.17 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 3gjx h GLU 726 Cb 0.39 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3gjx h GLU 726 CO 0.01 1.11 -0.44 -0.91 -1.00 0.00 0.00 179.01 177.78 3gjx h ASN 727 N 0.61 -1.27 -0.18 1.42 -0.26 -1.07 0.33 115.58 115.16 3gjx h ASN 727 Ca 0.02 0.13 0.05 0.00 -0.56 0.00 0.00 56.30 55.95 3gjx h ASN 727 Cb 1.11 0.47 -0.06 0.00 -1.06 0.00 0.00 38.32 38.78 3gjx h ASN 727 CO 0.11 -0.52 -0.21 0.40 -1.06 0.00 0.00 177.43 176.15 3gjx h ILE 728 N -0.71 0.46 -0.05 2.81 2.04 -1.29 -0.09 117.51 120.68 3gjx h ILE 728 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 3gjx h ILE 728 Cb 0.71 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3gjx h ILE 728 CO -0.21 0.00 0.01 -1.28 0.00 0.00 0.00 178.15 176.67 3gjx h SER 729 N -0.24 0.01 -0.92 1.72 0.87 -1.33 -0.36 113.55 113.29 3gjx h SER 729 Ca 0.12 0.01 0.08 0.00 -1.23 0.00 0.00 61.79 60.76 3gjx h SER 729 Cb 0.42 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.32 3gjx h SER 729 CO -0.32 0.02 0.58 0.00 -0.53 0.00 0.00 176.83 176.57 3gjx h ALA 730 N 1.03 1.30 -0.71 6.23 0.00 -0.63 0.18 119.26 126.66 3gjx h ALA 730 Ca 0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3gjx h ALA 730 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3gjx h ALA 730 CO -0.02 0.30 0.19 0.00 0.00 0.00 0.00 179.25 179.72 3gjx h ALA 731 N 1.45 1.00 -0.22 0.00 0.00 -0.48 0.20 119.26 121.21 3gjx h ALA 731 Ca 0.41 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3gjx h ALA 731 Cb 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gjx h ALA 731 CO -0.20 0.66 -0.35 0.82 0.00 0.00 0.00 179.25 180.18 3gjx h ILE 732 N 1.07 1.32 -0.83 0.00 1.08 -0.10 -2.13 117.51 117.92 3gjx h ILE 732 Ca 0.23 -1.56 0.01 0.00 -0.39 0.00 0.00 64.86 63.15 3gjx h ILE 732 Cb 0.34 1.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 3gjx h ILE 732 CO -0.00 0.49 0.55 -0.61 -0.69 0.00 0.00 178.15 177.89 3gjx h GLN 733 N 0.33 1.09 -0.28 2.37 4.15 -0.49 0.96 115.11 123.25 3gjx h GLN 733 Ca 0.02 -0.07 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 3gjx h GLN 733 Cb 0.94 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.38 3gjx h GLN 733 CO 0.08 0.72 -0.09 0.00 -1.93 0.00 0.00 178.83 177.62 3gjx h ALA 734 N 1.48 0.38 0.00 3.38 0.00 -0.81 -3.40 119.26 120.30 3gjx h ALA 734 Ca 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gjx h ALA 734 Cb -0.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3gjx h ALA 734 CO -0.07 0.22 -0.28 0.09 0.00 0.00 0.00 179.25 179.21 3gjx n ASN 735 N -4.49 0.55 -0.41 0.00 3.02 -0.82 -5.11 115.26 108.01 3gjx n ASN 735 Ca -0.03 -2.01 0.05 0.00 -0.03 0.00 0.00 54.58 52.56 3gjx n ASN 735 Cb 0.33 -0.19 -0.02 0.00 -0.61 0.00 0.00 39.78 39.28 3gjx n ASN 735 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gjx n GLY 736 N -0.29 -2.57 0.46 7.41 0.00 0.33 -4.39 105.19 106.14 3gjx n GLY 736 Ca 0.03 -1.35 0.32 0.00 0.00 0.00 0.00 46.02 45.02 3gjx n GLY 736 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gjx h GLU 737 N -0.40 0.18 -1.50 1.61 4.81 -1.94 -1.45 114.58 115.89 3gjx h GLU 737 Ca -0.05 -0.01 0.46 0.00 -0.13 0.00 0.00 59.36 59.63 3gjx h GLU 737 Cb 0.39 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 3gjx h GLU 737 CO 0.02 0.12 1.02 1.98 -0.73 0.00 0.00 179.01 181.42 3gjx h MET 738 N 0.19 0.06 0.00 1.92 4.05 -1.95 0.62 114.93 119.82 3gjx h MET 738 Ca 0.72 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 60.13 3gjx h MET 738 Cb 2.20 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.99 3gjx h MET 738 CO -0.31 0.04 0.04 0.28 0.23 0.00 0.00 176.91 177.19 3gjx n VAL 739 N -4.38 1.54 0.08 -5.77 0.31 -0.55 -1.20 118.33 108.35 3gjx n VAL 739 Ca 0.37 0.58 -0.07 0.00 -0.01 0.00 0.00 64.34 65.22 3gjx n VAL 739 Cb 1.57 -1.58 -0.07 0.00 -0.91 0.00 0.00 33.84 32.84 3gjx n VAL 739 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gjx h THR 740 N 0.00 1.64 -1.34 2.52 1.03 0.02 -3.35 112.91 113.43 3gjx h THR 740 Ca 0.00 -3.15 -0.73 0.00 -0.01 0.00 0.00 66.41 62.52 3gjx h THR 740 Cb 0.09 2.73 -0.13 0.00 -1.07 0.00 0.00 68.15 69.76 3gjx h THR 740 CO 0.00 0.90 2.01 0.29 -0.01 0.00 0.00 175.52 178.71 3gjx n LYS 741 N -3.46 3.35 -3.64 0.00 5.02 -0.34 -4.35 118.16 114.75 3gjx n LYS 741 Ca -0.01 -3.45 -0.04 0.00 -2.02 0.00 0.00 58.31 52.78 3gjx n LYS 741 Cb 0.89 -3.11 -0.06 0.00 -0.02 0.00 0.00 35.03 32.73 3gjx n LYS 741 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3gjx s GLN 742 N 1.82 0.18 0.00 1.97 -2.07 -1.26 -5.09 119.66 115.21 3gjx s GLN 742 Ca 0.44 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 54.11 3gjx s GLN 742 Cb 0.05 0.09 0.00 0.00 -1.09 0.00 0.00 33.01 32.06 3gjx s GLN 742 CO 0.00 -0.04 0.41 -2.30 -1.32 0.00 0.00 175.29 172.04 3gjx n PRO 743 N 1.21 0.00 -0.25 9.60 -0.02 -1.26 -2.13 135.00 142.15 3gjx n PRO 743 Ca -0.07 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.85 3gjx n PRO 743 Cb 0.58 -0.73 0.12 0.00 -0.02 0.00 0.00 33.50 33.44 3gjx n PRO 743 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3gjx h LEU 744 N 0.00 -0.51 -0.28 2.45 5.85 -1.97 0.43 115.31 121.29 3gjx h LEU 744 Ca 0.00 0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3gjx h LEU 744 Cb 0.00 0.40 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3gjx h LEU 744 CO 0.00 -0.21 -0.05 -0.29 -0.34 0.00 0.00 178.44 177.55 3gjx h ILE 745 N 0.05 1.28 -0.75 4.05 2.10 -1.81 0.66 117.51 123.09 3gjx h ILE 745 Ca 0.38 -1.05 0.08 0.00 1.08 0.00 0.00 64.86 65.35 3gjx h ILE 745 Cb 0.64 1.41 -0.06 0.00 -1.09 0.00 0.00 36.82 37.71 3gjx h ILE 745 CO -0.70 0.33 0.41 -0.09 -1.08 0.00 0.00 178.15 177.02 3gjx h ARG 746 N 0.28 0.71 0.00 2.19 2.43 -0.54 0.35 114.38 119.80 3gjx h ARG 746 Ca 0.07 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3gjx h ARG 746 Cb 0.52 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3gjx h ARG 746 CO 0.02 0.47 -0.39 0.66 -1.51 0.00 0.00 179.97 179.22 3gjx h SER 747 N 0.73 0.00 -0.23 -3.80 4.64 0.02 -2.48 113.55 112.43 3gjx h SER 747 Ca 0.35 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.53 3gjx h SER 747 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3gjx h SER 747 CO -0.22 0.39 -0.41 0.24 -0.87 0.00 0.00 176.83 175.96 3gjx h MET 748 N 0.00 0.68 -1.02 4.77 2.86 0.12 -2.86 114.93 119.48 3gjx h MET 748 Ca -0.00 -0.43 0.25 0.00 -2.06 0.00 0.00 59.70 57.46 3gjx h MET 748 Cb 0.72 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.32 3gjx h MET 748 CO 0.05 1.05 0.63 0.00 1.06 0.00 0.00 176.91 179.70 3gjx h ARG 749 N 0.39 0.49 -0.24 1.72 -0.00 -0.09 -2.47 114.38 114.19 3gjx h ARG 749 Ca 0.01 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.98 59.42 3gjx h ARG 749 Cb 1.01 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.86 3gjx h ARG 749 CO 0.09 0.33 -0.04 1.15 0.00 0.00 0.00 179.97 181.50 3gjx h THR 750 N 0.51 1.27 -0.98 2.04 2.02 -1.23 0.22 112.91 116.77 3gjx h THR 750 Ca 0.61 -1.01 0.04 0.00 0.77 0.00 0.00 66.41 66.83 3gjx h THR 750 Cb 1.33 1.44 -0.06 0.00 -1.74 0.00 0.00 68.15 69.12 3gjx h THR 750 CO -0.38 0.31 0.64 0.58 0.37 0.00 0.00 175.52 177.04 3gjx h VAL 751 N 0.21 1.15 0.20 3.16 2.07 -1.33 0.55 116.25 122.26 3gjx h VAL 751 Ca 0.06 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3gjx h VAL 751 Cb 0.48 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3gjx h VAL 751 CO 0.02 0.22 -0.10 0.11 0.02 0.00 0.00 177.57 177.84 3gjx h LYS 752 N 1.21 -0.26 -0.79 1.57 1.57 -1.06 -0.91 116.57 117.89 3gjx h LYS 752 Ca 0.40 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.30 3gjx h LYS 752 Cb 0.05 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3gjx h LYS 752 CO -0.13 0.07 0.52 0.00 -0.57 0.00 0.00 179.45 179.34 3gjx h ARG 753 N -0.63 0.67 0.00 3.15 3.08 -0.38 -1.96 114.38 118.30 3gjx h ARG 753 Ca -0.03 -0.04 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 3gjx h ARG 753 Cb 0.46 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3gjx h ARG 753 CO 0.05 0.44 -1.07 0.93 -1.07 0.00 0.00 179.97 179.25 3gjx h GLU 754 N 0.69 0.00 -0.69 0.04 4.39 -0.83 -2.36 114.58 115.81 3gjx h GLU 754 Ca 0.37 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.04 3gjx h GLU 754 Cb 0.51 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 3gjx h GLU 754 CO -0.14 0.87 0.32 1.15 -1.16 0.00 0.00 179.01 180.05 3gjx h THR 755 N 0.00 1.23 -0.10 1.13 2.02 -0.60 -1.46 112.91 115.14 3gjx h THR 755 Ca -0.05 -0.67 -0.19 0.00 0.77 0.00 0.00 66.41 66.26 3gjx h THR 755 Cb 1.77 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3gjx h THR 755 CO 0.12 0.28 -0.74 -0.07 0.37 0.00 0.00 175.52 175.47 3gjx h LEU 756 N 0.97 0.60 -0.94 2.58 3.38 -1.33 -1.99 115.31 118.59 3gjx h LEU 756 Ca 0.24 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 3gjx h LEU 756 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gjx h LEU 756 CO -0.03 1.15 -0.07 0.11 0.09 0.00 0.00 178.44 179.69 3gjx h LYS 757 N 0.34 0.70 -0.01 1.13 1.57 -1.38 0.18 116.57 119.10 3gjx h LYS 757 Ca -0.04 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3gjx h LYS 757 Cb 1.33 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3gjx h LYS 757 CO 0.13 0.76 -0.00 1.25 -0.57 0.00 0.00 179.45 181.03 3gjx h LEU 758 N 0.65 0.02 0.13 2.94 5.85 -1.14 0.15 115.31 123.91 3gjx h LEU 758 Ca 0.12 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3gjx h LEU 758 Cb 0.51 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3gjx h LEU 758 CO 0.03 0.38 -0.26 0.40 -0.34 0.00 0.00 178.44 178.65 3gjx h ILE 759 N -0.34 0.00 -0.36 4.05 2.04 -1.24 -0.49 117.51 121.17 3gjx h ILE 759 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 3gjx h ILE 759 Cb 0.37 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3gjx h ILE 759 CO 0.00 0.00 0.07 0.77 0.00 0.00 0.00 178.15 178.99 3gjx h SER 760 N -0.42 0.49 -0.98 1.72 4.64 -1.04 -2.18 113.55 115.78 3gjx h SER 760 Ca -0.01 -0.07 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 3gjx h SER 760 Cb 0.39 -0.13 -0.07 0.00 -0.31 0.00 0.00 62.40 62.29 3gjx h SER 760 CO -0.10 0.50 0.63 1.23 -0.87 0.00 0.00 176.83 178.22 3gjx h GLY 761 N 0.77 1.48 0.32 -0.77 0.00 -0.50 -0.95 103.07 103.41 3gjx h GLY 761 Ca 0.12 -0.46 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3gjx h GLY 761 CO -0.00 0.33 -0.46 -0.25 0.00 0.00 0.00 176.54 176.16 3gjx h TRP 762 N 1.15 0.25 -0.12 5.60 7.01 -0.58 -3.31 115.95 125.96 3gjx h TRP 762 Ca 0.42 -0.19 0.04 0.00 2.11 0.00 0.00 58.89 61.27 3gjx h TRP 762 Cb 0.15 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 3gjx h TRP 762 CO -0.01 1.18 -0.14 0.28 -2.79 0.00 0.00 178.44 176.96 3gjx h VAL 763 N -0.70 0.62 -0.67 2.65 2.07 -1.39 0.31 116.25 119.14 3gjx h VAL 763 Ca -0.09 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.70 3gjx h VAL 763 Cb 1.32 0.62 -0.12 0.00 -1.52 0.00 0.00 31.29 31.59 3gjx h VAL 763 CO 0.06 0.00 0.32 -1.20 0.02 0.00 0.00 177.57 176.77 3gjx n SER 764 N -5.29 0.19 -0.52 0.57 7.64 -0.37 -0.59 113.62 115.25 3gjx n SER 764 Ca -0.03 1.11 0.06 0.00 1.01 0.00 0.00 58.87 61.02 3gjx n SER 764 Cb 0.21 -0.53 0.07 0.00 -1.01 0.00 0.00 64.21 62.95 3gjx n SER 764 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gjx n ARG 765 N -4.56 1.10 -1.30 1.43 1.74 -0.10 -5.02 116.66 109.94 3gjx n ARG 765 Ca 0.24 -1.39 -0.29 0.00 -0.77 0.00 0.00 57.85 55.64 3gjx n ARG 765 Cb 0.82 -1.24 0.14 0.00 -1.02 0.00 0.00 32.46 31.15 3gjx n ARG 765 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3gjx s SER 766 N -1.01 3.44 -0.04 0.55 1.04 0.24 -3.61 113.70 114.31 3gjx s SER 766 Ca 0.16 1.30 0.19 0.00 0.48 0.00 0.00 55.95 58.09 3gjx s SER 766 Cb 0.11 -1.98 0.35 0.00 0.10 0.00 0.00 66.02 64.61 3gjx s SER 766 CO 0.15 -2.64 1.15 0.59 0.98 0.00 0.00 173.24 173.48 3gjx n ASN 767 N -3.86 1.01 -3.22 7.02 5.03 -1.26 -4.96 115.26 115.03 3gjx n ASN 767 Ca 0.06 -2.36 -0.20 0.00 0.87 0.00 0.00 54.58 52.95 3gjx n ASN 767 Cb 0.56 -0.33 -0.07 0.00 -1.02 0.00 0.00 39.78 38.93 3gjx n ASN 767 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gjx s ASP 768 N -2.08 0.62 0.10 6.41 -1.08 -1.26 -5.03 116.67 114.35 3gjx s ASP 768 Ca 0.29 -2.62 -0.24 0.00 -0.52 0.00 0.00 52.55 49.47 3gjx s ASP 768 Cb 0.32 0.26 -0.12 0.00 -1.46 0.00 0.00 42.92 41.92 3gjx s ASP 768 CO -0.12 -0.14 1.71 -0.65 0.52 0.00 0.00 175.17 176.49 3gjx h PRO 769 N 5.55 -0.14 -0.49 4.34 0.11 -1.96 -0.63 132.00 138.79 3gjx h PRO 769 Ca 0.20 0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.41 3gjx h PRO 769 Cb 0.97 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 3gjx h PRO 769 CO 0.26 -0.09 0.33 0.37 -0.21 0.00 0.00 178.00 178.66 3gjx h GLN 770 N -0.14 0.27 -0.07 1.05 5.75 -1.95 0.19 115.11 120.21 3gjx h GLN 770 Ca 0.02 -0.02 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 3gjx h GLN 770 Cb 0.16 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 3gjx h GLN 770 CO -0.05 0.18 -0.75 1.98 -2.65 0.00 0.00 178.83 177.54 3gjx h MET 771 N 0.28 0.43 -0.15 1.69 4.05 -1.60 -2.41 114.93 117.22 3gjx h MET 771 Ca 0.22 -0.36 -0.21 0.00 -0.28 0.00 0.00 59.70 59.08 3gjx h MET 771 Cb 0.51 0.08 0.01 0.00 -0.80 0.00 0.00 31.60 31.40 3gjx h MET 771 CO -0.05 1.00 -0.74 0.28 0.23 0.00 0.00 176.91 177.63 3gjx h VAL 772 N 0.29 1.30 0.00 -5.77 2.07 0.36 -2.27 116.25 112.22 3gjx h VAL 772 Ca -0.04 -1.97 -0.08 0.00 0.82 0.00 0.00 66.70 65.43 3gjx h VAL 772 Cb 1.34 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3gjx h VAL 772 CO 0.13 0.62 -0.37 0.00 0.02 0.00 0.00 177.57 177.97 3gjx h ALA 773 N 0.67 1.25 0.00 1.67 0.00 -0.73 -1.45 119.26 120.67 3gjx h ALA 773 Ca -0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3gjx h ALA 773 Cb 1.35 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3gjx h ALA 773 CO 0.15 0.46 -1.63 0.39 0.00 0.00 0.00 179.25 178.63 3gjx n GLU 774 N -3.90 0.64 -0.03 0.00 1.02 -0.91 -4.31 120.64 113.14 3gjx n GLU 774 Ca -0.01 0.01 -0.06 0.00 -0.02 0.00 0.00 57.16 57.07 3gjx n GLU 774 Cb 0.43 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3gjx n GLU 774 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3gjx n ASN 775 N -2.57 2.65 -0.03 1.62 3.02 -0.86 -4.76 115.26 114.33 3gjx n ASN 775 Ca -0.07 -0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.52 3gjx n ASN 775 Cb 0.69 -0.14 -0.16 0.00 -0.61 0.00 0.00 39.78 39.56 3gjx n ASN 775 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3gjx n PHE 776 N -2.87 0.00 -0.03 3.10 3.01 -0.64 -4.56 117.46 115.47 3gjx n PHE 776 Ca -0.13 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.18 3gjx n PHE 776 Cb 0.62 -0.60 -0.13 0.00 -0.01 0.00 0.00 39.48 39.37 3gjx n PHE 776 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3gjx h VAL 777 N 0.00 1.66 -0.41 -4.37 2.07 -1.51 -3.36 116.25 110.33 3gjx h VAL 777 Ca -0.14 -2.28 0.06 0.00 0.82 0.00 0.00 66.70 65.16 3gjx h VAL 777 Cb 1.27 3.18 -0.05 0.00 -1.52 0.00 0.00 31.29 34.17 3gjx h VAL 777 CO 0.01 0.61 0.12 -0.65 0.02 0.00 0.00 177.57 177.68 3gjx h PRO 778 N -0.72 0.26 -0.21 1.57 0.11 -1.81 -1.19 132.00 130.02 3gjx h PRO 778 Ca -0.04 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.11 3gjx h PRO 778 Cb 1.15 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3gjx h PRO 778 CO 0.05 0.17 0.19 -1.35 -0.21 0.00 0.00 178.00 176.86 3gjx h PRO 779 N 0.27 0.00 -0.59 1.05 0.11 -1.80 -1.45 132.00 129.59 3gjx h PRO 779 Ca 0.19 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.36 3gjx h PRO 779 Cb 0.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.26 3gjx h PRO 779 CO -0.22 0.00 0.31 -0.07 -0.21 0.00 0.00 178.00 177.81 3gjx h LEU 780 N 0.00 0.46 -0.41 2.35 3.38 -1.35 -2.92 115.31 116.82 3gjx h LEU 780 Ca 0.10 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3gjx h LEU 780 Cb 0.48 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 3gjx h LEU 780 CO -0.00 0.30 -0.55 0.25 0.09 0.00 0.00 178.44 178.53 3gjx h LEU 781 N 0.59 -1.85 0.58 1.67 6.46 -1.27 0.46 115.31 121.95 3gjx h LEU 781 Ca 0.26 0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 58.24 3gjx h LEU 781 Cb 0.17 0.76 0.01 0.00 -0.73 0.00 0.00 40.66 40.86 3gjx h LEU 781 CO -0.17 -0.40 -0.28 -0.78 -0.62 0.00 0.00 178.44 176.19 3gjx h ASP 782 N -0.39 -0.65 0.23 1.25 3.58 -1.68 -0.31 116.42 118.44 3gjx h ASP 782 Ca 0.07 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 3gjx h ASP 782 Cb 0.59 0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.80 3gjx h ASP 782 CO -0.59 -0.40 -0.15 0.00 -2.88 0.00 0.00 179.24 175.22 3gjx h ALA 783 N -1.50 1.55 0.00 -0.78 0.00 -1.44 -3.22 119.26 113.87 3gjx h ALA 783 Ca -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 3gjx h ALA 783 Cb 0.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3gjx h ALA 783 CO 0.13 0.19 -1.09 0.28 0.00 0.00 0.00 179.25 178.76 3gjx n VAL 784 N -4.07 0.09 0.04 0.00 0.31 0.16 -4.46 118.33 110.40 3gjx n VAL 784 Ca -0.02 -0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.09 3gjx n VAL 784 Cb 0.23 -1.43 -0.12 0.00 -0.91 0.00 0.00 33.84 31.61 3gjx n VAL 784 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3gjx h LEU 785 N -0.05 0.74 -0.58 7.52 3.38 -1.23 -1.82 115.31 123.26 3gjx h LEU 785 Ca -0.04 -0.79 -0.15 0.00 0.09 0.00 0.00 57.88 56.99 3gjx h LEU 785 Cb 1.04 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3gjx h LEU 785 CO -0.02 1.44 -0.70 0.40 0.09 0.00 0.00 178.44 179.65 3gjx h ILE 786 N 0.13 1.47 -0.06 1.22 2.04 -1.14 -1.73 117.51 119.44 3gjx h ILE 786 Ca -0.13 -2.32 -0.00 0.00 1.00 0.00 0.00 64.86 63.41 3gjx h ILE 786 Cb 1.62 2.25 -0.00 0.00 -0.74 0.00 0.00 36.82 39.94 3gjx h ILE 786 CO 0.18 0.67 0.03 -0.78 0.00 0.00 0.00 178.15 178.25 3gjx h ASP 787 N 0.05 0.08 -0.66 1.72 3.58 -1.62 -0.66 116.42 118.90 3gjx h ASP 787 Ca -0.01 -0.11 0.13 0.00 0.42 0.00 0.00 57.03 57.45 3gjx h ASP 787 Cb 1.24 -0.02 -0.09 0.00 1.72 0.00 0.00 39.33 42.17 3gjx h ASP 787 CO 0.10 0.17 0.17 0.22 -2.88 0.00 0.00 179.24 177.02 3gjx h TYR 788 N -0.02 0.28 -0.40 0.28 3.20 -1.14 0.16 116.97 119.33 3gjx h TYR 788 Ca 0.02 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.88 3gjx h TYR 788 Cb 0.11 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3gjx h TYR 788 CO -0.04 -0.02 0.02 0.37 -1.64 0.00 0.00 178.16 176.85 3gjx h GLN 789 N 0.30 0.62 0.00 1.82 4.15 -1.13 -3.01 115.11 117.86 3gjx h GLN 789 Ca 0.36 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3gjx h GLN 789 Cb 0.55 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.15 3gjx h GLN 789 CO -0.43 0.63 -0.68 0.00 -1.93 0.00 0.00 178.83 176.42 3gjx h ARG 790 N 0.60 0.00 -7.09 1.69 3.08 -0.16 -3.46 114.38 109.04 3gjx h ARG 790 Ca 0.13 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.64 3gjx h ARG 790 Cb 0.34 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.52 3gjx h ARG 790 CO 0.01 0.00 0.50 -0.80 -1.07 0.00 0.00 179.97 178.61 3gjx s ASN 791 N -5.53 5.04 0.54 7.04 0.01 0.46 -4.99 114.94 117.51 3gjx s ASN 791 Ca 0.02 2.49 -0.21 0.00 -0.71 0.00 0.00 52.86 54.45 3gjx s ASN 791 Cb 0.08 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 39.09 3gjx s ASN 791 CO 0.75 -1.70 1.27 0.68 -1.51 0.00 0.00 177.10 176.59 3gjx s VAL 792 N -1.50 2.47 0.20 1.60 -7.23 -1.26 -4.81 120.40 109.86 3gjx s VAL 792 Ca 0.78 0.34 -0.22 0.00 -1.81 0.00 0.00 61.98 61.07 3gjx s VAL 792 Cb -0.33 -3.16 0.12 0.00 0.56 0.00 0.00 36.38 33.57 3gjx s VAL 792 CO 0.36 -0.02 1.56 -0.65 -0.31 0.00 0.00 175.10 176.05 3gjx h PRO 793 N 1.47 -0.10 0.00 4.82 0.11 -1.94 0.19 132.00 136.56 3gjx h PRO 793 Ca -0.50 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3gjx h PRO 793 Cb 1.29 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3gjx h PRO 793 CO 0.57 -0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.30 3gjx n ALA 794 N -3.28 1.52 0.00 -0.75 0.00 -1.26 -1.49 120.51 115.24 3gjx n ALA 794 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3gjx n ALA 794 Cb 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3gjx n ALA 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gjx n ALA 795 N -0.81 1.97 -2.11 0.00 0.00 0.67 -4.99 120.51 115.24 3gjx n ALA 795 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3gjx n ALA 795 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3gjx n ALA 795 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gjx s ARG 796 N -1.27 4.21 -0.31 0.00 0.52 -0.56 -4.90 118.95 116.64 3gjx s ARG 796 Ca 0.00 2.07 -0.29 0.00 -0.52 0.00 0.00 55.73 56.99 3gjx s ARG 796 Cb 0.00 -3.84 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 3gjx s ARG 796 CO 0.00 -0.76 1.44 -2.00 0.02 0.00 0.00 175.30 173.99 3gjx s GLU 797 N 3.53 3.77 0.47 3.54 2.56 -1.26 -4.89 118.70 126.43 3gjx s GLU 797 Ca 0.68 1.30 0.18 0.00 0.00 0.00 0.00 54.97 57.13 3gjx s GLU 797 Cb -0.31 -3.97 1.14 0.00 2.00 0.00 0.00 34.13 32.98 3gjx s GLU 797 CO 0.27 -1.31 2.03 -1.35 -0.56 0.00 0.00 175.26 174.33 3gjx h PRO 798 N 10.19 0.00 0.00 4.30 0.11 -1.92 -1.22 132.00 143.46 3gjx h PRO 798 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3gjx h PRO 798 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3gjx h PRO 798 CO 1.04 0.16 0.00 0.39 -0.21 0.00 0.00 178.00 179.37 3gjx n GLU 799 N -4.18 0.09 0.07 1.05 1.02 -1.26 -1.46 120.64 115.97 3gjx n GLU 799 Ca -0.02 0.21 -0.18 0.00 -0.02 0.00 0.00 57.16 57.15 3gjx n GLU 799 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.05 3gjx n GLU 799 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gjx h VAL 800 N 0.00 1.34 -0.24 2.62 2.07 -1.62 -2.27 116.25 118.15 3gjx h VAL 800 Ca 0.00 -2.45 -0.07 0.00 0.82 0.00 0.00 66.70 65.00 3gjx h VAL 800 Cb 0.05 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 3gjx h VAL 800 CO 0.00 0.74 -0.14 -0.07 0.02 0.00 0.00 177.57 178.12 3gjx h LEU 801 N 0.28 0.54 -0.90 2.57 3.38 -1.43 -2.07 115.31 117.67 3gjx h LEU 801 Ca -0.13 -0.42 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 3gjx h LEU 801 Cb 1.75 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3gjx h LEU 801 CO 0.20 0.85 -0.36 0.77 0.09 0.00 0.00 178.44 179.99 3gjx h SER 802 N 0.24 0.38 -0.77 -0.43 4.64 -1.65 -0.32 113.55 115.63 3gjx h SER 802 Ca 0.05 -0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3gjx h SER 802 Cb 0.66 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.60 3gjx h SER 802 CO 0.04 0.72 0.50 0.74 -0.87 0.00 0.00 176.83 177.95 3gjx h THR 803 N 0.32 1.15 -0.13 2.95 2.02 -1.29 -1.32 112.91 116.61 3gjx h THR 803 Ca 0.04 -0.34 -0.19 0.00 0.77 0.00 0.00 66.41 66.68 3gjx h THR 803 Cb 0.78 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3gjx h THR 803 CO 0.06 0.18 -0.70 0.24 0.37 0.00 0.00 175.52 175.67 3gjx h MET 804 N 0.99 0.56 -0.39 6.66 2.07 -0.88 -2.14 114.93 121.82 3gjx h MET 804 Ca 0.30 -0.43 0.06 0.00 -2.07 0.00 0.00 59.70 57.55 3gjx h MET 804 Cb -0.05 0.08 -0.05 0.00 -1.87 0.00 0.00 31.60 29.71 3gjx h MET 804 CO -0.09 1.06 0.10 0.00 1.07 0.00 0.00 176.91 179.04 3gjx h ALA 805 N 0.83 0.43 -0.38 6.32 0.00 -0.84 -0.16 119.26 125.44 3gjx h ALA 805 Ca -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3gjx h ALA 805 Cb 1.29 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3gjx h ALA 805 CO 0.13 -0.30 0.21 0.82 0.00 0.00 0.00 179.25 180.11 3gjx h ILE 806 N 0.23 1.14 -0.18 0.00 2.04 -1.08 -0.21 117.51 119.47 3gjx h ILE 806 Ca 0.18 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 3gjx h ILE 806 Cb 0.20 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3gjx h ILE 806 CO -0.22 0.15 -0.24 0.16 0.00 0.00 0.00 178.15 177.99 3gjx h ILE 807 N 0.49 1.25 -0.39 -0.67 -0.00 -0.90 -2.66 117.51 114.63 3gjx h ILE 807 Ca 0.14 -1.15 -0.15 0.00 -0.00 0.00 0.00 64.86 63.69 3gjx h ILE 807 Cb 0.05 1.38 -0.01 0.00 -0.00 0.00 0.00 36.82 38.25 3gjx h ILE 807 CO -0.02 0.36 -0.36 0.58 -0.00 0.00 0.00 178.15 178.70 3gjx h VAL 808 N 0.29 1.27 0.00 0.16 2.07 -0.76 -0.20 116.25 119.08 3gjx h VAL 808 Ca 0.05 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3gjx h VAL 808 Cb 0.59 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3gjx h VAL 808 CO 0.04 0.51 -0.00 0.78 0.02 0.00 0.00 177.57 178.92 3gjx h ASN 809 N 0.76 0.00 0.00 0.57 2.35 -0.70 -2.35 115.58 116.21 3gjx h ASN 809 Ca 0.07 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.47 3gjx h ASN 809 Cb 0.95 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.26 3gjx h ASN 809 CO 0.09 0.00 -2.29 1.17 -1.65 0.00 0.00 177.43 174.75 3gjx n LYS 810 N -3.13 0.77 0.01 0.81 3.00 -1.05 -4.62 118.16 113.94 3gjx n LYS 810 Ca -0.03 0.08 0.11 0.00 -0.00 0.00 0.00 58.31 58.47 3gjx n LYS 810 Cb 0.08 -1.47 -0.12 0.00 0.00 0.00 0.00 35.03 33.53 3gjx n LYS 810 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3gjx n LEU 811 N -2.97 0.35 0.00 3.14 4.77 -0.11 -5.01 117.00 117.17 3gjx n LEU 811 Ca -0.36 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.53 3gjx n LEU 811 Cb 1.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 42.07 3gjx n LEU 811 CO 0.30 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 3gjx n GLY 812 N 1.32 2.43 0.37 -0.72 0.00 -0.89 -0.63 105.19 107.07 3gjx n GLY 812 Ca -0.01 0.19 0.17 0.00 0.00 0.00 0.00 46.02 46.38 3gjx n GLY 812 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gjx h GLY 813 N 0.00 0.00 2.00 -0.02 0.00 -1.91 0.39 103.07 103.53 3gjx h GLY 813 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gjx h GLY 813 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.96 3gjx n HIS 814 N -3.26 0.50 -0.04 5.60 -0.00 0.20 -3.10 115.22 115.13 3gjx n HIS 814 Ca 0.03 0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 3gjx n HIS 814 Cb 0.55 -0.78 0.00 0.00 -0.00 0.00 0.00 29.99 29.76 3gjx n HIS 814 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 3gjx n ILE 815 N -1.94 0.00 -0.31 1.59 3.06 0.11 -4.73 119.36 117.15 3gjx n ILE 815 Ca 0.04 -0.48 0.13 0.00 -2.50 0.00 0.00 62.75 59.95 3gjx n ILE 815 Cb 0.29 1.04 0.31 0.00 0.54 0.00 0.00 39.64 41.82 3gjx n ILE 815 CO 0.00 0.00 0.00 0.74 -2.50 0.00 0.00 176.55 174.79 3gjx h THR 816 N 0.04 0.47 -0.04 9.51 2.02 -1.45 -0.21 112.91 123.24 3gjx h THR 816 Ca 0.00 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3gjx h THR 816 Cb 0.02 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 3gjx h THR 816 CO 0.00 0.07 -0.13 0.00 0.37 0.00 0.00 175.52 175.83 3gjx h ALA 817 N 1.71 1.70 -0.01 6.16 0.00 -1.85 -2.82 119.26 124.15 3gjx h ALA 817 Ca 0.56 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3gjx h ALA 817 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3gjx h ALA 817 CO -0.53 0.22 -0.21 -0.85 0.00 0.00 0.00 179.25 177.88 3gjx n GLU 818 N -4.35 1.21 -0.36 0.00 0.00 -0.12 -4.33 120.64 112.70 3gjx n GLU 818 Ca -0.02 -0.80 0.09 0.00 0.00 0.00 0.00 57.16 56.43 3gjx n GLU 818 Cb 0.22 -1.48 0.26 0.00 0.00 0.00 0.00 31.44 30.44 3gjx n GLU 818 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3gjx h ILE 819 N 1.94 0.87 -0.03 3.84 1.08 -1.20 -2.07 117.51 121.94 3gjx h ILE 819 Ca 0.00 -0.32 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 3gjx h ILE 819 Cb 0.58 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 34.17 3gjx h ILE 819 CO 0.00 0.17 -0.02 -0.65 -0.69 0.00 0.00 178.15 176.96 3gjx h PRO 820 N 0.94 -0.02 -0.76 2.37 0.11 -1.80 0.14 132.00 132.97 3gjx h PRO 820 Ca 0.52 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.66 3gjx h PRO 820 Cb 0.59 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.66 3gjx h PRO 820 CO -0.30 -0.02 0.48 1.96 -0.21 0.00 0.00 178.00 179.92 3gjx h GLN 821 N -0.03 0.92 0.32 1.05 4.20 -1.69 -1.02 115.11 118.86 3gjx h GLN 821 Ca 0.02 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3gjx h GLN 821 Cb 0.06 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3gjx h GLN 821 CO -0.05 0.61 -0.15 0.82 -0.67 0.00 0.00 178.83 179.38 3gjx h ILE 822 N 0.94 0.70 -0.16 2.54 2.04 -1.25 -2.43 117.51 119.90 3gjx h ILE 822 Ca 0.30 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 66.00 3gjx h ILE 822 Cb 0.01 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3gjx h ILE 822 CO -0.11 0.04 0.12 -0.26 0.00 0.00 0.00 178.15 177.94 3gjx h PHE 823 N -0.54 0.00 -0.11 1.37 -1.00 -0.85 0.98 116.94 116.78 3gjx h PHE 823 Ca -0.04 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.64 3gjx h PHE 823 Cb 0.40 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3gjx h PHE 823 CO -0.03 0.00 -0.38 0.22 -1.61 0.00 0.00 178.31 176.51 3gjx h ASP 824 N 0.00 0.24 0.12 2.17 3.58 -0.82 -0.72 116.42 121.00 3gjx h ASP 824 Ca 0.08 -0.09 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 3gjx h ASP 824 Cb 0.31 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.30 3gjx h ASP 824 CO -0.00 0.61 -0.06 0.00 -2.88 0.00 0.00 179.24 176.91 3gjx h ALA 825 N 1.41 -0.17 0.00 -0.78 0.00 -0.35 -3.41 119.26 115.96 3gjx h ALA 825 Ca 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gjx h ALA 825 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gjx h ALA 825 CO 0.06 -0.26 -0.41 1.33 0.00 0.00 0.00 179.25 179.97 3gjx n VAL 826 N -4.88 0.00 0.00 0.00 0.24 -0.90 -4.46 118.33 108.33 3gjx n VAL 826 Ca -0.08 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.90 3gjx n VAL 826 Cb 0.28 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.60 3gjx n VAL 826 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 3gjx n PHE 827 N -1.21 0.00 -0.34 6.34 7.35 -0.28 -1.71 117.46 127.61 3gjx n PHE 827 Ca 0.01 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.70 3gjx n PHE 827 Cb 0.12 -0.41 0.13 0.00 0.35 0.00 0.00 39.48 39.67 3gjx n PHE 827 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 3gjx h GLU 828 N 0.00 1.12 -0.49 -4.13 4.81 -1.88 0.67 114.58 114.68 3gjx h GLU 828 Ca 0.00 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3gjx h GLU 828 Cb 0.00 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 3gjx h GLU 828 CO 0.00 0.74 0.19 0.00 -0.73 0.00 0.00 179.01 179.21 3gjx h THR 830 N 0.66 1.18 -1.00 0.00 2.02 -0.95 -2.80 112.91 112.00 3gjx h THR 830 Ca 0.16 -0.55 0.14 0.00 0.77 0.00 0.00 66.41 66.94 3gjx h THR 830 Cb 0.21 1.28 -0.09 0.00 -1.74 0.00 0.00 68.15 67.81 3gjx h THR 830 CO -0.01 0.16 0.63 0.25 0.37 0.00 0.00 175.52 176.92 3gjx h LEU 831 N 0.05 0.89 -1.62 2.58 5.85 -0.60 0.30 115.31 122.75 3gjx h LEU 831 Ca 0.05 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3gjx h LEU 831 Cb 0.22 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3gjx h LEU 831 CO -0.00 0.44 -0.10 0.78 -0.34 0.00 0.00 178.44 179.21 3gjx h ASN 832 N 0.94 0.00 1.70 1.25 2.35 -0.80 -1.53 115.58 119.49 3gjx h ASN 832 Ca 0.52 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.26 3gjx h ASN 832 Cb 0.59 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.96 3gjx h ASN 832 CO -0.29 0.10 -0.01 0.24 -1.65 0.00 0.00 177.43 175.83 3gjx h MET 833 N 0.00 0.00 0.00 0.81 2.86 -0.74 -3.36 114.93 114.50 3gjx h MET 833 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3gjx h MET 833 Cb 0.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.15 3gjx h MET 833 CO 0.01 0.01 -0.01 0.44 1.06 0.00 0.00 176.91 178.42 3gjx n ILE 834 N -3.10 1.05 -0.02 -1.22 -5.35 -0.64 -4.75 119.36 105.33 3gjx n ILE 834 Ca 0.03 -1.11 0.08 0.00 -0.27 0.00 0.00 62.75 61.48 3gjx n ILE 834 Cb 0.47 0.42 0.18 0.00 -1.74 0.00 0.00 39.64 38.96 3gjx n ILE 834 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 3gjx n ASN 835 N -0.60 3.04 -0.78 7.28 6.94 -0.83 -4.42 115.26 125.88 3gjx n ASN 835 Ca 0.03 -1.91 0.11 0.00 -0.02 0.00 0.00 54.58 52.79 3gjx n ASN 835 Cb 0.34 -0.24 0.06 0.00 -2.36 0.00 0.00 39.78 37.58 3gjx n ASN 835 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3gjx n LYS 836 N 0.90 1.90 0.00 -3.83 4.76 -1.26 -5.02 118.16 115.61 3gjx n LYS 836 Ca 0.14 -1.58 0.00 0.00 -2.87 0.00 0.00 58.31 54.01 3gjx n LYS 836 Cb 0.47 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 3gjx n LYS 836 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3gjx n ASP 837 N 0.85 0.00 -1.19 4.39 5.75 -1.26 -5.05 116.55 120.04 3gjx n ASP 837 Ca 0.12 0.00 0.12 0.00 -0.01 0.00 0.00 54.79 55.01 3gjx n ASP 837 Cb 0.54 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.87 3gjx n ASP 837 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3gjx n PHE 838 N -0.15 0.63 -0.08 2.11 3.01 -1.26 -4.64 117.46 117.09 3gjx n PHE 838 Ca 0.00 -0.33 -0.13 0.00 1.01 0.00 0.00 57.45 58.00 3gjx n PHE 838 Cb 0.00 -0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.40 3gjx n PHE 838 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3gjx n GLU 839 N 1.50 0.37 -2.48 -1.08 1.02 -1.26 -4.83 120.64 113.88 3gjx n GLU 839 Ca 0.20 0.11 -0.33 0.00 -0.02 0.00 0.00 57.16 57.12 3gjx n GLU 839 Cb 0.60 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.76 3gjx n GLU 839 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 3gjx s GLU 840 N -2.30 3.80 -1.16 3.49 2.12 -1.26 -4.20 118.70 119.19 3gjx s GLU 840 Ca -0.21 1.24 -0.09 0.00 0.36 0.00 0.00 54.97 56.27 3gjx s GLU 840 Cb 0.06 -2.10 -0.03 0.00 0.26 0.00 0.00 34.13 32.33 3gjx s GLU 840 CO 0.33 -0.42 0.82 0.66 -0.54 0.00 0.00 175.26 176.11 3gjx n TYR 841 N -1.19 -2.11 -0.09 5.30 4.02 -1.26 -4.83 117.16 117.01 3gjx n TYR 841 Ca 0.08 0.72 -0.06 0.00 -0.01 0.00 0.00 57.90 58.64 3gjx n TYR 841 Cb 0.53 -4.03 0.00 0.00 -0.02 0.00 0.00 39.34 35.82 3gjx n TYR 841 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3gjx h PRO 842 N -1.62 0.07 0.00 -0.72 0.11 -1.96 -1.76 132.00 126.11 3gjx h PRO 842 Ca -0.63 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.43 3gjx h PRO 842 Cb 1.34 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 3gjx h PRO 842 CO 0.49 0.04 -0.24 0.93 -0.21 0.00 0.00 178.00 179.02 3gjx h GLU 843 N 0.07 0.00 -0.04 1.05 5.08 -1.96 -1.04 114.58 117.74 3gjx h GLU 843 Ca 0.15 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.36 3gjx h GLU 843 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3gjx h GLU 843 CO -0.28 0.24 -0.68 0.45 -1.00 0.00 0.00 179.01 177.73 3gjx h HIS 844 N 0.00 0.28 0.33 4.33 3.86 -1.69 -1.81 115.15 120.45 3gjx h HIS 844 Ca -0.00 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3gjx h HIS 844 Cb 0.49 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.92 3gjx h HIS 844 CO 0.00 0.82 -0.16 0.00 0.86 0.00 0.00 177.93 179.46 3gjx h ARG 845 N 0.14 -0.43 -0.12 2.45 3.08 -0.67 0.28 114.38 119.11 3gjx h ARG 845 Ca -0.02 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.09 3gjx h ARG 845 Cb 1.22 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 31.31 3gjx h ARG 845 CO 0.10 -0.10 -0.52 1.15 -1.07 0.00 0.00 179.97 179.53 3gjx h THR 846 N -0.85 0.02 -0.68 2.04 2.02 -1.46 -2.82 112.91 111.18 3gjx h THR 846 Ca -0.05 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 3gjx h THR 846 Cb 0.52 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3gjx h THR 846 CO 0.07 0.00 0.12 0.78 0.37 0.00 0.00 175.52 176.87 3gjx h ASN 847 N -0.58 1.07 -0.79 4.18 4.21 -1.34 -2.13 115.58 120.19 3gjx h ASN 847 Ca 0.04 -0.25 0.02 0.00 1.21 0.00 0.00 56.30 57.32 3gjx h ASN 847 Cb 0.68 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 37.56 3gjx h ASN 847 CO -0.42 1.05 0.52 0.15 -1.29 0.00 0.00 177.43 177.44 3gjx h PHE 848 N 1.05 0.96 0.00 1.19 3.57 -0.42 -2.09 116.94 121.21 3gjx h PHE 848 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3gjx h PHE 848 Cb 0.43 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3gjx h PHE 848 CO 0.03 0.58 -0.19 0.74 -2.23 0.00 0.00 178.31 177.24 3gjx h PHE 849 N 1.02 0.00 -0.27 0.41 -1.00 -1.23 -2.32 116.94 113.54 3gjx h PHE 849 Ca 0.31 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.90 3gjx h PHE 849 Cb -0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 3gjx h PHE 849 CO -0.00 0.00 -0.55 -0.07 -1.61 0.00 0.00 178.31 176.08 3gjx h LEU 850 N 0.00 0.95 -0.38 1.54 3.38 -0.75 -1.95 115.31 118.10 3gjx h LEU 850 Ca 0.00 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 3gjx h LEU 850 Cb 0.96 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3gjx h LEU 850 CO 0.00 1.31 0.03 0.25 0.09 0.00 0.00 178.44 180.12 3gjx h LEU 851 N 0.62 0.62 -1.50 1.67 5.85 -1.34 -1.63 115.31 119.60 3gjx h LEU 851 Ca 0.01 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 3gjx h LEU 851 Cb 1.16 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 3gjx h LEU 851 CO 0.12 0.76 0.04 0.25 -0.34 0.00 0.00 178.44 179.27 3gjx h LEU 852 N 0.47 0.33 -0.51 2.25 5.85 -1.40 0.53 115.31 122.83 3gjx h LEU 852 Ca 0.11 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3gjx h LEU 852 Cb 0.42 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3gjx h LEU 852 CO 0.01 0.36 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.83 3gjx h GLN 853 N 0.36 0.92 -0.42 1.25 4.15 -1.06 -0.13 115.11 120.18 3gjx h GLN 853 Ca 0.09 -0.31 -0.15 0.00 0.77 0.00 0.00 58.65 59.04 3gjx h GLN 853 Cb 0.18 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3gjx h GLN 853 CO -0.00 0.96 -0.33 0.00 -1.93 0.00 0.00 178.83 177.53 3gjx h ALA 854 N 0.93 0.61 0.83 3.38 0.00 -0.29 0.26 119.26 124.98 3gjx h ALA 854 Ca 0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3gjx h ALA 854 Cb 0.56 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3gjx h ALA 854 CO 0.03 0.68 -0.40 0.28 0.00 0.00 0.00 179.25 179.84 3gjx h VAL 855 N 0.80 0.00 -0.86 0.00 2.07 -0.91 -0.40 116.25 116.96 3gjx h VAL 855 Ca 0.08 -0.04 0.22 0.00 0.82 0.00 0.00 66.70 67.78 3gjx h VAL 855 Cb 0.92 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.56 3gjx h VAL 855 CO 0.09 0.00 0.27 -1.13 0.02 0.00 0.00 177.57 176.82 3gjx h ASN 856 N -1.15 0.09 0.31 0.57 -1.24 -0.97 0.29 115.58 113.47 3gjx h ASN 856 Ca -0.11 0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 3gjx h ASN 856 Cb 0.85 0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.13 3gjx h ASN 856 CO 0.19 -0.10 -0.15 0.28 -1.29 0.00 0.00 177.43 176.35 3gjx h SER 857 N 0.26 -0.35 -0.01 1.15 0.02 -0.34 -3.33 113.55 110.94 3gjx h SER 857 Ca 0.54 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3gjx h SER 857 Cb 1.05 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3gjx h SER 857 CO -0.60 0.07 -0.18 1.41 -1.14 0.00 0.00 176.83 176.38 3gjx n HIS 858 N -5.10 0.00 -2.54 3.45 8.25 -0.17 -4.61 115.22 114.50 3gjx n HIS 858 Ca -0.09 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.39 3gjx n HIS 858 Cb 0.27 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.42 3gjx n HIS 858 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gjx h PHE 860 N 1.56 0.40 0.00 0.00 3.57 -1.63 -1.23 116.94 119.60 3gjx h PHE 860 Ca -0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.35 3gjx h PHE 860 Cb 1.63 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 40.25 3gjx h PHE 860 CO 0.34 0.11 0.00 -2.30 -2.23 0.00 0.00 178.31 174.23 3gjx n PRO 861 N -4.45 0.10 -0.20 6.41 -0.02 -1.26 -1.60 135.00 133.98 3gjx n PRO 861 Ca 0.18 0.55 -0.08 0.00 -2.02 0.00 0.00 63.50 62.13 3gjx n PRO 861 Cb 0.73 -1.79 0.02 0.00 -0.02 0.00 0.00 33.50 32.44 3gjx n PRO 861 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gjx h ALA 862 N 2.06 0.73 0.00 3.55 0.00 -1.52 -2.63 119.26 121.45 3gjx h ALA 862 Ca 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3gjx h ALA 862 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3gjx h ALA 862 CO 0.00 0.44 -0.19 0.74 0.00 0.00 0.00 179.25 180.24 3gjx h PHE 863 N 0.79 0.00 -0.06 0.00 0.05 -1.50 0.83 116.94 117.05 3gjx h PHE 863 Ca 0.17 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.96 3gjx h PHE 863 Cb 0.35 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.30 3gjx h PHE 863 CO 0.02 0.19 0.00 1.28 -0.18 0.00 0.00 178.31 179.63 3gjx n LEU 864 N -4.05 0.56 -0.04 1.54 4.77 -1.01 -3.71 117.00 115.05 3gjx n LEU 864 Ca -0.02 -0.24 -0.03 0.00 -0.03 0.00 0.00 56.01 55.69 3gjx n LEU 864 Cb 0.27 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.23 3gjx n LEU 864 CO 0.35 0.12 -0.82 0.00 -1.33 0.00 0.00 177.39 175.71 3gjx n ALA 865 N -0.38 1.89 -2.65 -1.18 0.00 0.26 -5.03 120.51 113.41 3gjx n ALA 865 Ca 0.13 -0.65 -0.26 0.00 0.00 0.00 0.00 53.44 52.67 3gjx n ALA 865 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 3gjx n ALA 865 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3gjx s ILE 866 N -2.41 5.11 0.46 0.00 -4.36 -1.04 -5.04 121.20 113.92 3gjx s ILE 866 Ca -0.05 -0.32 -0.24 0.00 -0.26 0.00 0.00 60.65 59.78 3gjx s ILE 866 Cb 0.04 -3.80 -0.09 0.00 1.25 0.00 0.00 42.46 39.86 3gjx s ILE 866 CO 0.48 -0.42 1.19 -2.65 0.24 0.00 0.00 174.94 173.78 3gjx n PRO 867 N -1.34 1.65 -0.29 0.37 -0.02 -1.26 -4.61 135.00 129.50 3gjx n PRO 867 Ca -0.04 0.59 0.25 0.00 -2.02 0.00 0.00 63.50 62.29 3gjx n PRO 867 Cb 0.55 -2.32 0.59 0.00 -0.02 0.00 0.00 33.50 32.30 3gjx n PRO 867 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gjx h PRO 868 N 1.68 0.26 -0.38 0.52 0.11 -1.96 0.44 132.00 132.68 3gjx h PRO 868 Ca -0.48 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 3gjx h PRO 868 Cb 1.31 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3gjx h PRO 868 CO 0.58 0.17 -0.36 0.00 -0.21 0.00 0.00 178.00 178.17 3gjx h ALA 869 N 1.57 0.64 -0.06 -0.75 0.00 -1.99 -0.18 119.26 118.48 3gjx h ALA 869 Ca 0.54 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3gjx h ALA 869 Cb 1.61 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3gjx h ALA 869 CO -0.18 0.67 0.03 1.96 0.00 0.00 0.00 179.25 181.73 3gjx h GLN 870 N 0.73 0.09 -0.80 0.00 4.20 -0.58 -2.43 115.11 116.32 3gjx h GLN 870 Ca 0.07 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.82 3gjx h GLN 870 Cb 0.94 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.65 3gjx h GLN 870 CO 0.09 0.21 0.49 0.35 -0.67 0.00 0.00 178.83 179.30 3gjx h PHE 871 N -0.05 0.90 -0.96 2.96 3.57 -0.66 -0.83 116.94 121.87 3gjx h PHE 871 Ca 0.02 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.63 3gjx h PHE 871 Cb 0.15 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.54 3gjx h PHE 871 CO -0.02 0.46 0.61 -0.22 -2.23 0.00 0.00 178.31 176.90 3gjx h LYS 872 N 0.90 1.04 -0.49 1.11 3.64 -0.89 -0.43 116.57 121.45 3gjx h LYS 872 Ca 0.35 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 3gjx h LYS 872 Cb 0.16 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 3gjx h LYS 872 CO -0.17 0.69 -0.06 1.25 -2.27 0.00 0.00 179.45 178.89 3gjx h LEU 873 N 1.07 0.83 -0.10 5.20 5.85 -0.68 -1.40 115.31 126.10 3gjx h LEU 873 Ca 0.43 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.94 3gjx h LEU 873 Cb 0.25 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3gjx h LEU 873 CO -0.20 0.93 -0.03 0.58 -0.34 0.00 0.00 178.44 179.38 3gjx h VAL 874 N 0.78 0.88 -0.58 1.05 2.07 -0.38 -1.71 116.25 118.36 3gjx h VAL 874 Ca 0.14 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 3gjx h VAL 874 Cb 0.55 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3gjx h VAL 874 CO 0.03 0.00 0.18 0.25 0.02 0.00 0.00 177.57 178.05 3gjx h LEU 875 N -0.02 0.80 -0.96 2.57 6.46 -0.80 -2.10 115.31 121.26 3gjx h LEU 875 Ca 0.05 -0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.62 3gjx h LEU 875 Cb 0.09 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.79 3gjx h LEU 875 CO -0.11 0.76 0.04 0.44 -0.62 0.00 0.00 178.44 178.95 3gjx h ASP 876 N 0.84 0.76 -0.51 1.25 3.32 -1.12 -1.03 116.42 119.94 3gjx h ASP 876 Ca 0.19 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3gjx h ASP 876 Cb 0.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3gjx h ASP 876 CO -0.01 0.80 0.13 0.77 -1.72 0.00 0.00 179.24 179.21 3gjx h SER 877 N 0.76 0.81 -0.18 6.45 4.64 -0.67 0.04 113.55 125.40 3gjx h SER 877 Ca 0.15 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gjx h SER 877 Cb 0.40 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3gjx h SER 877 CO 0.01 0.80 0.10 0.40 -0.87 0.00 0.00 176.83 177.27 3gjx h ILE 878 N 0.83 1.11 -0.67 0.95 2.04 -0.75 0.24 117.51 121.26 3gjx h ILE 878 Ca 0.18 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3gjx h ILE 878 Cb 0.32 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3gjx h ILE 878 CO 0.00 0.10 0.40 0.40 0.00 0.00 0.00 178.15 179.05 3gjx h ILE 879 N 0.18 1.03 -0.18 -0.67 1.08 -1.09 -1.87 117.51 115.99 3gjx h ILE 879 Ca 0.06 -0.26 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 3gjx h ILE 879 Cb 0.08 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.02 3gjx h ILE 879 CO -0.01 0.14 0.04 -0.25 -0.69 0.00 0.00 178.15 177.38 3gjx h TRP 880 N 0.75 0.07 0.01 1.37 2.91 -0.27 -2.22 115.95 118.57 3gjx h TRP 880 Ca 0.28 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.35 3gjx h TRP 880 Cb 0.11 -0.01 -0.05 0.00 -0.51 0.00 0.00 29.16 28.70 3gjx h TRP 880 CO -0.06 0.03 -0.29 0.00 -1.03 0.00 0.00 178.44 177.09 3gjx h ALA 881 N 1.13 -0.42 0.00 2.65 0.00 -0.18 -2.39 119.26 120.05 3gjx h ALA 881 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3gjx h ALA 881 Cb 0.07 0.51 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3gjx h ALA 881 CO -0.10 -0.80 0.00 1.97 0.00 0.00 0.00 179.25 180.32 3gjx n PHE 882 N -5.40 0.00 1.12 0.00 1.16 -0.74 -0.63 117.46 112.97 3gjx n PHE 882 Ca -0.05 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.65 3gjx n PHE 882 Cb 0.31 -0.20 0.27 0.00 -1.61 0.00 0.00 39.48 38.25 3gjx n PHE 882 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 3gjx n LYS 883 N -1.20 0.51 -1.71 3.97 5.02 -0.86 -4.85 118.16 119.04 3gjx n LYS 883 Ca 0.10 -0.32 -0.36 0.00 -2.02 0.00 0.00 58.31 55.71 3gjx n LYS 883 Cb 0.11 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 33.70 3gjx n LYS 883 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3gjx s HIS 884 N -2.71 2.13 0.00 2.13 3.76 0.19 -4.99 115.29 115.81 3gjx s HIS 884 Ca 0.18 1.52 -0.04 0.00 -0.15 0.00 0.00 55.06 56.58 3gjx s HIS 884 Cb 0.18 -3.59 -0.28 0.00 1.11 0.00 0.00 32.58 30.01 3gjx s HIS 884 CO 0.61 -2.68 0.86 1.79 -0.85 0.00 0.00 174.74 174.47 3gjx h THR 885 N 0.38 1.16 -2.49 1.30 1.35 -1.88 -3.42 112.91 109.31 3gjx h THR 885 Ca -0.50 -2.79 -0.57 0.00 -0.55 0.00 0.00 66.41 62.00 3gjx h THR 885 Cb 1.32 2.77 -0.01 0.00 -1.73 0.00 0.00 68.15 70.50 3gjx h THR 885 CO 0.53 0.82 1.27 -0.04 -0.25 0.00 0.00 175.52 177.85 3gjx s MET 886 N -2.62 3.55 0.38 4.72 -1.94 -1.26 -4.86 119.30 117.27 3gjx s MET 886 Ca -0.09 1.82 0.18 0.00 -1.71 0.00 0.00 55.69 55.88 3gjx s MET 886 Cb 0.07 -4.18 1.10 0.00 2.01 0.00 0.00 34.83 33.82 3gjx s MET 886 CO 0.86 -1.61 1.73 -0.09 -0.01 0.00 0.00 175.02 175.90 3gjx h ARG 887 N 12.40 0.38 -0.02 2.03 9.65 -1.99 -2.16 114.38 134.66 3gjx h ARG 887 Ca -0.38 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.48 3gjx h ARG 887 Cb 1.19 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.68 3gjx h ARG 887 CO 0.99 0.25 0.01 -2.95 2.80 0.00 0.00 179.97 181.07 3gjx h ASN 888 N 0.39 0.03 0.23 -3.80 -0.00 -1.96 -2.85 115.58 107.60 3gjx h ASN 888 Ca 0.64 -0.13 -0.01 0.00 -0.00 0.00 0.00 56.30 56.81 3gjx h ASN 888 Cb 1.59 -0.01 0.00 0.00 -0.00 0.00 0.00 38.32 39.91 3gjx h ASN 888 CO -0.37 0.14 -0.12 0.58 -0.00 0.00 0.00 177.43 177.66 3gjx h VAL 889 N -0.10 0.76 -0.60 6.14 2.07 -1.74 -2.14 116.25 120.65 3gjx h VAL 889 Ca 0.01 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 3gjx h VAL 889 Cb 0.13 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 3gjx h VAL 889 CO -0.00 0.00 0.23 0.00 0.02 0.00 0.00 177.57 177.82 3gjx h ALA 890 N 0.46 0.77 0.00 1.67 0.00 -1.54 0.12 119.26 120.74 3gjx h ALA 890 Ca -0.03 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3gjx h ALA 890 Cb 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3gjx h ALA 890 CO 0.04 -0.18 -0.43 0.38 0.00 0.00 0.00 179.25 179.06 3gjx h ASP 891 N 0.42 0.00 -0.34 0.00 3.04 -1.46 -0.39 116.42 117.69 3gjx h ASP 891 Ca 0.30 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 54.02 3gjx h ASP 891 Cb 0.35 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.62 3gjx h ASP 891 CO -0.29 0.43 -0.02 0.74 -2.04 0.00 0.00 179.24 178.07 3gjx h THR 892 N 0.00 1.23 -0.09 1.15 2.02 -0.55 -1.71 112.91 114.96 3gjx h THR 892 Ca -0.00 -0.97 -0.11 0.00 0.77 0.00 0.00 66.41 66.09 3gjx h THR 892 Cb 1.17 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3gjx h THR 892 CO 0.06 0.34 -0.43 1.23 0.37 0.00 0.00 175.52 177.09 3gjx h GLY 893 N 0.95 0.22 1.37 2.16 0.00 0.16 -2.17 103.07 105.76 3gjx h GLY 893 Ca 0.13 -0.22 -0.24 0.00 0.00 0.00 0.00 47.33 47.00 3gjx h GLY 893 CO 0.02 0.20 -0.98 1.41 0.00 0.00 0.00 176.54 177.19 3gjx h LEU 894 N 0.17 0.73 0.85 3.11 3.38 -0.78 -2.64 115.31 120.13 3gjx h LEU 894 Ca 0.01 -0.58 -0.04 0.00 0.09 0.00 0.00 57.88 57.37 3gjx h LEU 894 Cb 0.83 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.37 3gjx h LEU 894 CO 0.06 1.37 -0.41 1.56 0.09 0.00 0.00 178.44 181.12 3gjx h GLN 895 N 0.32 -1.10 -0.92 1.13 4.20 -1.29 -0.62 115.11 116.83 3gjx h GLN 895 Ca -0.10 0.08 0.17 0.00 0.06 0.00 0.00 58.65 58.85 3gjx h GLN 895 Cb 1.62 0.25 -0.16 0.00 0.30 0.00 0.00 27.48 29.49 3gjx h GLN 895 CO 0.18 -0.74 -0.30 0.82 -0.67 0.00 0.00 178.83 178.13 3gjx h ILE 896 N -1.29 0.06 -0.72 2.54 2.04 -1.48 0.61 117.51 119.27 3gjx h ILE 896 Ca -0.12 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3gjx h ILE 896 Cb 0.88 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3gjx h ILE 896 CO 0.19 0.00 0.48 0.25 0.00 0.00 0.00 178.15 179.07 3gjx h LEU 897 N -0.02 0.83 0.15 1.44 5.85 -1.43 0.42 115.31 122.55 3gjx h LEU 897 Ca 0.39 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3gjx h LEU 897 Cb 0.64 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3gjx h LEU 897 CO -0.94 0.60 -0.07 0.15 -0.34 0.00 0.00 178.44 177.84 3gjx h PHE 898 N 0.97 -0.19 -0.65 1.25 3.04 0.17 -1.78 116.94 119.75 3gjx h PHE 898 Ca 0.26 -0.00 0.04 0.00 3.98 0.00 0.00 57.97 62.25 3gjx h PHE 898 Cb -0.11 0.06 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 3gjx h PHE 898 CO -0.00 0.15 0.43 1.15 -2.02 0.00 0.00 178.31 178.03 3gjx h THR 899 N -0.55 1.06 -0.19 4.41 2.02 -0.23 -1.74 112.91 117.70 3gjx h THR 899 Ca -0.02 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 3gjx h THR 899 Cb 0.43 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3gjx h THR 899 CO 0.03 0.13 -0.23 0.25 0.37 0.00 0.00 175.52 176.08 3gjx h LEU 900 N 0.74 0.53 -0.41 2.58 6.46 -0.07 0.81 115.31 125.94 3gjx h LEU 900 Ca 0.27 -0.50 0.03 0.00 -0.12 0.00 0.00 57.88 57.56 3gjx h LEU 900 Cb 0.14 -0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 39.88 3gjx h LEU 900 CO -0.08 0.92 0.20 -0.07 -0.62 0.00 0.00 178.44 178.79 3gjx h LEU 901 N 0.14 0.28 -0.86 2.25 3.38 -1.15 0.23 115.31 119.59 3gjx h LEU 901 Ca 0.02 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3gjx h LEU 901 Cb 0.79 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 3gjx h LEU 901 CO 0.06 0.21 0.57 1.56 0.09 0.00 0.00 178.44 180.92 3gjx h GLN 902 N 0.40 1.11 -0.78 1.13 4.20 -1.24 -2.22 115.11 117.71 3gjx h GLN 902 Ca 0.18 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 3gjx h GLN 902 Cb 0.09 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.59 3gjx h GLN 902 CO -0.13 0.73 0.36 -0.91 -0.67 0.00 0.00 178.83 178.22 3gjx h ASN 903 N 1.14 1.03 -0.82 1.46 2.35 -0.06 -2.72 115.58 117.96 3gjx h ASN 903 Ca 0.32 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3gjx h ASN 903 Cb -0.09 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 37.97 3gjx h ASN 903 CO -0.08 0.88 0.44 0.58 -1.65 0.00 0.00 177.43 177.60 3gjx h VAL 904 N 1.10 1.24 0.00 2.81 2.07 -0.12 -1.98 116.25 121.39 3gjx h VAL 904 Ca 0.27 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3gjx h VAL 904 Cb 0.14 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3gjx h VAL 904 CO -0.03 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.84 3gjx n ALA 905 N -2.38 1.08 0.11 1.67 0.00 -0.88 -0.02 120.51 120.08 3gjx n ALA 905 Ca 0.08 0.17 0.08 0.00 0.00 0.00 0.00 53.44 53.77 3gjx n ALA 905 Cb 0.10 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.28 3gjx n ALA 905 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gjx h GLN 906 N 0.00 0.00 -3.75 0.00 1.08 -1.38 -3.40 115.11 107.67 3gjx h GLN 906 Ca 0.00 0.00 -0.79 0.00 -1.45 0.00 0.00 58.65 56.41 3gjx h GLN 906 Cb 0.02 0.00 -0.27 0.00 -0.05 0.00 0.00 27.48 27.19 3gjx h GLN 906 CO 0.00 0.13 0.38 -1.21 -0.95 0.00 0.00 178.83 177.18 3gjx s GLU 907 N -3.18 3.98 0.23 1.46 8.01 0.98 -4.92 118.70 125.26 3gjx s GLU 907 Ca 0.01 -2.90 -0.07 0.00 0.01 0.00 0.00 54.97 52.01 3gjx s GLU 907 Cb 0.08 -4.55 0.38 0.00 -4.31 0.00 0.00 34.13 25.74 3gjx s GLU 907 CO 0.77 -1.29 1.70 1.05 0.01 0.00 0.00 175.26 177.49 3gjx h GLU 908 N 7.12 0.27 0.00 1.61 4.11 -1.79 0.51 114.58 126.41 3gjx h GLU 908 Ca 0.16 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.57 3gjx h GLU 908 Cb 0.93 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3gjx h GLU 908 CO 0.94 0.18 0.00 0.00 0.07 0.00 0.00 179.01 180.20 3gjx n ALA 909 N -2.63 -0.31 0.24 1.06 0.00 -1.26 -2.90 120.51 114.72 3gjx n ALA 909 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.66 3gjx n ALA 909 Cb 0.39 0.18 0.61 0.00 0.00 0.00 0.00 19.45 20.63 3gjx n ALA 909 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gjx h ALA 910 N -1.65 1.30 -0.40 0.00 0.00 -1.90 -3.26 119.26 113.34 3gjx h ALA 910 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3gjx h ALA 910 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 3gjx h ALA 910 CO 0.00 0.22 -0.21 0.00 0.00 0.00 0.00 179.25 179.26 3gjx h ALA 911 N 1.82 0.07 -0.31 0.00 0.00 0.16 0.24 119.26 121.24 3gjx h ALA 911 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3gjx h ALA 911 Cb 0.44 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3gjx h ALA 911 CO 0.02 -0.58 -0.01 1.96 0.00 0.00 0.00 179.25 180.64 3gjx h GLN 912 N -0.14 0.48 -0.01 0.00 1.08 -1.60 0.69 115.11 115.61 3gjx h GLN 912 Ca 0.20 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.17 3gjx h GLN 912 Cb 0.44 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3gjx h GLN 912 CO -0.49 0.52 -0.58 0.66 -0.95 0.00 0.00 178.83 177.99 3gjx h SER 913 N 0.46 0.02 0.19 1.46 4.64 -1.39 -1.32 113.55 117.61 3gjx h SER 913 Ca 0.10 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.21 3gjx h SER 913 Cb 0.32 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3gjx h SER 913 CO 0.01 0.60 -0.78 0.15 -0.87 0.00 0.00 176.83 175.94 3gjx h PHE 914 N 0.01 0.67 -0.15 4.77 3.57 0.79 -1.96 116.94 124.65 3gjx h PHE 914 Ca -0.01 -0.31 -0.21 0.00 3.53 0.00 0.00 57.97 60.98 3gjx h PHE 914 Cb 1.03 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3gjx h PHE 914 CO 0.00 1.09 -0.73 1.88 -2.23 0.00 0.00 178.31 178.32 3gjx h TYR 915 N 0.32 0.92 0.01 0.41 0.99 -0.79 -0.09 116.97 118.74 3gjx h TYR 915 Ca -0.04 -0.39 -0.00 0.00 2.00 0.00 0.00 58.73 60.29 3gjx h TYR 915 Cb 1.38 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 38.96 3gjx h TYR 915 CO 0.06 1.20 -0.01 0.37 -0.00 0.00 0.00 178.16 179.78 3gjx h GLN 916 N 0.48 -0.02 -0.05 4.88 5.75 -1.24 -2.67 115.11 122.25 3gjx h GLN 916 Ca -0.04 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 58.25 3gjx h GLN 916 Cb 1.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.89 3gjx h GLN 916 CO 0.14 0.09 -0.87 1.15 -2.65 0.00 0.00 178.83 176.69 3gjx h THR 917 N -0.11 1.36 0.00 2.39 2.02 -1.34 -3.41 112.91 113.81 3gjx h THR 917 Ca -0.00 -2.25 -0.00 0.00 0.77 0.00 0.00 66.41 64.92 3gjx h THR 917 Cb 0.11 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3gjx h THR 917 CO 0.00 0.68 -1.01 -1.22 0.37 0.00 0.00 175.52 174.34 3gjx n TYR 918 N -3.82 0.00 0.10 3.16 4.02 -0.05 -4.77 117.16 115.80 3gjx n TYR 918 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.72 3gjx n TYR 918 Cb 0.79 -0.01 -0.06 0.00 -0.02 0.00 0.00 39.34 40.04 3gjx n TYR 918 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3gjx h PHE 919 N 0.00 -0.88 -0.59 -0.72 3.57 -1.54 0.46 116.94 117.23 3gjx h PHE 919 Ca -0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.61 3gjx h PHE 919 Cb 0.12 0.37 -0.07 0.00 2.79 0.00 0.00 35.95 39.16 3gjx h PHE 919 CO 0.00 -0.37 0.23 0.00 -2.23 0.00 0.00 178.31 175.94 3gjx h ASP 921 N 0.41 -1.16 -1.03 0.00 3.32 -1.66 -0.09 116.42 116.21 3gjx h ASP 921 Ca 0.30 0.14 0.27 0.00 0.02 0.00 0.00 57.03 57.75 3gjx h ASP 921 Cb 0.35 0.45 -0.12 0.00 0.22 0.00 0.00 39.33 40.23 3gjx h ASP 921 CO -0.29 -0.45 0.63 0.40 -1.72 0.00 0.00 179.24 177.81 3gjx h ILE 922 N -0.58 0.48 0.26 0.35 2.04 -0.51 -1.02 117.51 118.53 3gjx h ILE 922 Ca 0.04 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3gjx h ILE 922 Cb 0.64 -0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3gjx h ILE 922 CO -0.27 0.09 -0.12 -0.07 0.00 0.00 0.00 178.15 177.77 3gjx h LEU 923 N 0.47 -0.29 -0.59 1.44 3.38 -0.34 -1.46 115.31 117.92 3gjx h LEU 923 Ca 0.65 -0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.70 3gjx h LEU 923 Cb 1.43 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.16 3gjx h LEU 923 CO -0.44 -0.15 0.08 1.56 0.09 0.00 0.00 178.44 179.58 3gjx h GLN 924 N -0.41 0.19 -0.47 1.13 4.20 -0.05 -0.38 115.11 119.33 3gjx h GLN 924 Ca -0.04 -0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 3gjx h GLN 924 Cb 0.31 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3gjx h GLN 924 CO 0.06 0.13 0.08 0.45 -0.67 0.00 0.00 178.83 178.88 3gjx h HIS 925 N 0.20 0.74 -0.16 2.96 3.86 -1.13 -1.14 115.15 120.48 3gjx h HIS 925 Ca 0.31 -0.07 -0.14 0.00 -1.16 0.00 0.00 60.37 59.31 3gjx h HIS 925 Cb 0.47 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3gjx h HIS 925 CO -0.29 0.65 -0.45 0.82 0.86 0.00 0.00 177.93 179.52 3gjx h ILE 926 N 0.69 1.34 -0.94 2.45 2.04 -0.54 -3.16 117.51 119.39 3gjx h ILE 926 Ca 0.15 -1.71 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 3gjx h ILE 926 Cb 0.31 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.33 3gjx h ILE 926 CO 0.00 0.53 0.55 -0.26 0.00 0.00 0.00 178.15 178.97 3gjx h PHE 927 N 0.25 1.25 -0.13 1.37 -1.00 -0.82 0.71 116.94 118.58 3gjx h PHE 927 Ca -0.01 -0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.80 3gjx h PHE 927 Cb 1.07 -0.41 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 3gjx h PHE 927 CO 0.10 0.84 0.15 0.66 -1.61 0.00 0.00 178.31 178.45 3gjx h SER 928 N 1.30 0.00 0.21 2.17 4.64 -1.20 -1.17 113.55 119.50 3gjx h SER 928 Ca 0.33 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.31 3gjx h SER 928 Cb -0.03 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 3gjx h SER 928 CO -0.06 0.00 -2.05 0.52 -0.87 0.00 0.00 176.83 174.37 3gjx n VAL 929 N -3.77 1.61 0.30 0.95 0.31 -0.56 -3.94 118.33 113.24 3gjx n VAL 929 Ca 0.00 -0.73 -0.17 0.00 -0.01 0.00 0.00 64.34 63.44 3gjx n VAL 929 Cb 0.26 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 31.89 3gjx n VAL 929 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 3gjx h VAL 930 N 0.02 0.41 0.00 2.52 2.07 0.28 -2.19 116.25 119.37 3gjx h VAL 930 Ca -0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3gjx h VAL 930 Cb 2.04 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3gjx h VAL 930 CO 0.05 0.00 0.00 0.35 0.02 0.00 0.00 177.57 177.99 3gjx n THR 931 N -5.43 0.00 -3.52 2.57 -2.24 -0.77 -4.62 114.28 100.28 3gjx n THR 931 Ca -0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.25 3gjx n THR 931 Cb 0.32 -0.33 -0.10 0.00 -2.10 0.00 0.00 70.33 68.12 3gjx n THR 931 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gjx s ASP 932 N -1.56 6.01 0.00 3.42 -1.08 -0.82 -4.95 116.67 117.69 3gjx s ASP 932 Ca 0.12 -0.68 0.04 0.00 -0.52 0.00 0.00 52.55 51.50 3gjx s ASP 932 Cb 0.06 -2.13 0.22 0.00 -1.46 0.00 0.00 42.92 39.61 3gjx s ASP 932 CO 0.09 -0.34 0.60 0.35 0.52 0.00 0.00 175.17 176.39 3gjx n THR 933 N 5.11 0.00 -0.57 1.71 -2.24 -1.26 -1.39 114.28 115.63 3gjx n THR 933 Ca -0.12 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.75 3gjx n THR 933 Cb 0.48 -0.50 0.32 0.00 -2.10 0.00 0.00 70.33 68.53 3gjx n THR 933 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gjx n SER 934 N -0.67 4.38 -0.18 3.42 7.64 -1.26 -4.43 113.62 122.51 3gjx n SER 934 Ca 0.03 -2.39 0.00 0.00 1.01 0.00 0.00 58.87 57.52 3gjx n SER 934 Cb 0.01 -0.52 0.01 0.00 -1.01 0.00 0.00 64.21 62.70 3gjx n SER 934 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gjx n HIS 935 N 0.97 0.00 0.11 1.43 8.25 -0.49 -4.84 115.22 120.65 3gjx n HIS 935 Ca 0.24 -0.08 0.07 0.00 -0.26 0.00 0.00 57.72 57.68 3gjx n HIS 935 Cb 0.80 -0.03 0.35 0.00 1.12 0.00 0.00 29.99 32.23 3gjx n HIS 935 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3gjx n THR 936 N -0.10 1.18 1.70 1.59 -2.24 -1.26 -0.26 114.28 114.89 3gjx n THR 936 Ca 0.01 0.66 0.15 0.00 -2.27 0.00 0.00 64.05 62.60 3gjx n THR 936 Cb 0.56 -1.66 0.85 0.00 -2.10 0.00 0.00 70.33 67.98 3gjx n THR 936 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gjx n ALA 937 N -1.62 2.58 -0.18 6.98 0.00 -1.26 -2.85 120.51 124.15 3gjx n ALA 937 Ca -0.01 -0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.29 3gjx n ALA 937 Cb 0.10 -1.50 0.09 0.00 0.00 0.00 0.00 19.45 18.14 3gjx n ALA 937 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gjx n GLY 938 N 1.12 3.05 0.15 0.00 0.00 0.63 -4.77 105.19 105.37 3gjx n GLY 938 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.87 3gjx n GLY 938 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gjx h LEU 939 N 0.96 -0.33 -0.81 0.99 5.85 -1.63 0.11 115.31 120.45 3gjx h LEU 939 Ca 0.00 0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.96 3gjx h LEU 939 Cb 0.67 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 3gjx h LEU 939 CO 0.01 -0.12 0.39 0.74 -0.34 0.00 0.00 178.44 179.11 3gjx h THR 940 N -0.04 0.70 0.08 1.05 2.02 -1.86 -1.40 112.91 113.48 3gjx h THR 940 Ca 0.14 -0.19 -0.25 0.00 0.77 0.00 0.00 66.41 66.88 3gjx h THR 940 Cb 0.25 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3gjx h THR 940 CO -0.31 0.10 -1.14 0.24 0.37 0.00 0.00 175.52 174.77 3gjx h MET 941 N 0.56 0.22 0.12 6.66 2.86 -1.76 -2.26 114.93 121.32 3gjx h MET 941 Ca 0.44 -0.35 0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3gjx h MET 941 Cb 0.64 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.40 3gjx h MET 941 CO -0.37 1.15 -0.22 0.45 1.06 0.00 0.00 176.91 178.97 3gjx h HIS 942 N 0.07 -0.59 -0.33 -0.22 -0.00 -0.17 0.18 115.15 114.10 3gjx h HIS 942 Ca -0.10 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.17 3gjx h HIS 942 Cb 1.87 0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 29.51 3gjx h HIS 942 CO 0.05 -0.32 -0.27 0.00 -0.00 0.00 0.00 177.93 177.39 3gjx h ALA 943 N 0.36 0.92 -0.69 2.45 0.00 -1.38 -0.12 119.26 120.81 3gjx h ALA 943 Ca 0.03 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gjx h ALA 943 Cb 0.44 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3gjx h ALA 943 CO -0.12 0.62 0.41 1.03 0.00 0.00 0.00 179.25 181.19 3gjx h SER 944 N 0.58 0.82 0.18 0.00 0.87 -1.08 0.58 113.55 115.49 3gjx h SER 944 Ca 0.08 -0.04 -0.25 0.00 -1.23 0.00 0.00 61.79 60.34 3gjx h SER 944 Cb 0.76 -0.21 0.03 0.00 -0.44 0.00 0.00 62.40 62.54 3gjx h SER 944 CO 0.06 0.63 -1.11 0.40 -0.53 0.00 0.00 176.83 176.28 3gjx h ILE 945 N 0.94 1.39 -0.01 2.23 2.04 -0.27 -3.10 117.51 120.73 3gjx h ILE 945 Ca 0.25 -2.58 -0.00 0.00 1.00 0.00 0.00 64.86 63.53 3gjx h ILE 945 Cb -0.04 3.11 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3gjx h ILE 945 CO -0.05 0.75 0.00 -0.07 0.00 0.00 0.00 178.15 178.79 3gjx h LEU 946 N -0.18 0.01 -0.69 1.44 4.07 -0.94 -1.88 115.31 117.14 3gjx h LEU 946 Ca -0.20 -0.22 0.13 0.00 0.08 0.00 0.00 57.88 57.67 3gjx h LEU 946 Cb 1.84 -0.00 -0.13 0.00 1.08 0.00 0.00 40.66 43.45 3gjx h LEU 946 CO 0.19 0.23 -0.28 0.00 -1.08 0.00 0.00 178.44 177.50 3gjx h ALA 947 N 0.78 0.19 -0.22 1.53 0.00 0.04 -0.20 119.26 121.39 3gjx h ALA 947 Ca 0.00 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3gjx h ALA 947 Cb 0.22 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gjx h ALA 947 CO -0.00 -0.57 0.11 -0.92 0.00 0.00 0.00 179.25 177.87 3gjx h TYR 948 N -0.08 0.31 -0.11 0.00 3.20 -1.45 -0.73 116.97 118.11 3gjx h TYR 948 Ca 0.29 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 3gjx h TYR 948 Cb 0.55 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3gjx h TYR 948 CO -0.64 0.30 -0.16 0.52 -1.64 0.00 0.00 178.16 176.54 3gjx h MET 949 N 0.23 0.17 0.08 1.82 2.86 -0.45 0.85 114.93 120.49 3gjx h MET 949 Ca 0.08 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.51 3gjx h MET 949 Cb 0.11 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 31.76 3gjx h MET 949 CO -0.01 0.34 -0.68 0.74 1.06 0.00 0.00 176.91 178.36 3gjx h PHE 950 N 0.16 0.53 -0.68 -0.22 -1.00 -0.83 -2.69 116.94 112.21 3gjx h PHE 950 Ca 0.03 -0.35 0.20 0.00 2.81 0.00 0.00 57.97 60.66 3gjx h PHE 950 Cb 0.39 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 39.89 3gjx h PHE 950 CO 0.00 1.22 0.53 -0.97 -1.61 0.00 0.00 178.31 177.48 3gjx h ASN 951 N -0.31 0.00 1.08 2.17 -0.73 -0.94 0.73 115.58 117.58 3gjx h ASN 951 Ca -0.11 0.00 -0.09 0.00 1.87 0.00 0.00 56.30 57.98 3gjx h ASN 951 Cb 1.47 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 40.05 3gjx h ASN 951 CO 0.13 0.00 -0.41 0.25 -0.37 0.00 0.00 177.43 177.03 3gjx h LEU 952 N 0.00 0.00 -1.71 0.34 6.46 -0.56 -3.07 115.31 116.77 3gjx h LEU 952 Ca 0.32 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 58.06 3gjx h LEU 952 Cb 1.37 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.30 3gjx h LEU 952 CO -0.00 0.41 -0.13 0.58 -0.62 0.00 0.00 178.44 178.67 3gjx h VAL 953 N 0.00 0.48 0.00 1.05 2.07 -0.53 0.46 116.25 119.79 3gjx h VAL 953 Ca -0.00 -0.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3gjx h VAL 953 Cb 1.06 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3gjx h VAL 953 CO 0.05 0.13 -0.07 -0.33 0.02 0.00 0.00 177.57 177.37 3gjx h GLU 954 N 0.00 0.00 0.00 1.57 4.39 -1.56 -3.41 114.58 115.57 3gjx h GLU 954 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3gjx h GLU 954 Cb 0.45 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3gjx h GLU 954 CO 0.02 0.07 0.00 -1.91 -1.16 0.00 0.00 179.01 176.03 3gjx n GLU 955 N -3.81 0.00 -0.11 2.33 2.13 -1.18 -5.02 120.64 114.99 3gjx n GLU 955 Ca -0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.71 3gjx n GLU 955 Cb 0.17 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.87 3gjx n GLU 955 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 3gjx h GLY 956 N 0.00 0.50 -6.91 8.31 0.00 -1.12 -3.40 103.07 100.46 3gjx h GLY 956 Ca 0.00 -0.22 -0.59 0.00 0.00 0.00 0.00 47.33 46.52 3gjx h GLY 956 CO 0.00 0.21 0.70 1.25 0.00 0.00 0.00 176.54 178.70 3gjx s LYS 957 N -5.94 3.54 0.08 4.80 2.20 -1.25 -4.90 119.74 118.28 3gjx s LYS 957 Ca -0.13 0.20 0.25 0.00 -0.36 0.00 0.00 55.97 55.93 3gjx s LYS 957 Cb 0.10 -3.95 0.98 0.00 -1.51 0.00 0.00 37.83 33.45 3gjx s LYS 957 CO 0.72 -1.35 1.78 0.44 -0.36 0.00 0.00 175.35 176.59 3gjx n ILE 958 N 6.52 0.43 -4.39 5.43 -5.35 -1.26 -4.91 119.36 115.83 3gjx n ILE 958 Ca 0.07 -0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.37 3gjx n ILE 958 Cb 0.49 -0.69 -0.04 0.00 -1.74 0.00 0.00 39.64 37.66 3gjx n ILE 958 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3gjx n SER 959 N -1.78 2.75 -4.77 7.28 3.41 -1.26 -5.13 113.62 114.11 3gjx n SER 959 Ca 0.05 -2.24 -0.36 0.00 -0.26 0.00 0.00 58.87 56.06 3gjx n SER 959 Cb 0.32 0.19 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 3gjx n SER 959 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gjx s THR 960 N -2.00 5.33 -0.18 6.66 2.01 -1.26 -4.86 115.64 121.34 3gjx s THR 960 Ca 0.01 0.45 0.12 0.00 0.31 0.00 0.00 61.69 62.58 3gjx s THR 960 Cb -0.00 -3.57 -0.20 0.00 0.01 0.00 0.00 72.50 68.75 3gjx s THR 960 CO 0.01 0.47 -0.00 -0.81 -0.69 0.00 0.00 174.62 173.59 3gjx n PRO 961 N 3.01 1.01 0.06 4.92 -0.05 -1.26 -4.57 135.00 138.12 3gjx n PRO 961 Ca -0.15 0.02 0.11 0.00 -0.05 0.00 0.00 63.50 63.44 3gjx n PRO 961 Cb 0.53 -1.45 0.04 0.00 -0.05 0.00 0.00 33.50 32.57 3gjx n PRO 961 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 3gjx n LEU 962 N -2.77 0.67 0.00 1.53 7.94 -1.26 -4.99 117.00 118.12 3gjx n LEU 962 Ca -0.31 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3gjx n LEU 962 Cb 1.03 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 44.88 3gjx n LEU 962 CO 0.33 -0.06 0.00 0.59 -1.11 0.00 0.00 177.39 177.14 3gjx n ASN 963 N -2.26 0.00 -4.15 1.96 5.03 -1.26 -5.02 115.26 109.56 3gjx n ASN 963 Ca 0.01 0.00 -0.35 0.00 0.87 0.00 0.00 54.58 55.11 3gjx n ASN 963 Cb 0.48 0.00 -0.13 0.00 -1.02 0.00 0.00 39.78 39.12 3gjx n ASN 963 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3gjx s PRO 964 N -0.91 2.22 0.01 3.52 0.05 -1.26 -5.06 135.00 133.57 3gjx s PRO 964 Ca 0.00 -1.51 -0.03 0.00 0.05 0.00 0.00 61.00 59.51 3gjx s PRO 964 Cb 0.00 -3.35 -0.01 0.00 0.05 0.00 0.00 34.50 31.18 3gjx s PRO 964 CO 0.00 -0.82 1.04 0.78 0.05 0.00 0.00 177.00 178.05 3gjx h GLY 965 N 8.01 -1.37 -0.00 0.56 0.00 -1.95 -3.22 103.07 105.08 3gjx h GLY 965 Ca -0.17 0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3gjx h GLY 965 CO 0.60 -0.51 -0.01 3.43 0.00 0.00 0.00 176.54 180.05 3gjx h ASN 966 N -0.05 -0.04 -0.70 0.19 2.35 -2.01 -3.06 115.58 112.26 3gjx h ASN 966 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3gjx h ASN 966 Cb 0.05 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.38 3gjx h ASN 966 CO -0.03 -0.01 0.41 1.55 -1.65 0.00 0.00 177.43 177.70 3gjx h PRO 967 N -0.01 0.73 -2.21 0.81 0.13 -2.04 -2.95 132.00 126.46 3gjx h PRO 967 Ca 0.00 -0.04 -0.80 0.00 -0.87 0.00 0.00 66.00 64.29 3gjx h PRO 967 Cb 0.01 -0.17 -0.27 0.00 0.13 0.00 0.00 31.00 30.71 3gjx h PRO 967 CO -0.01 0.48 1.07 0.28 -0.23 0.00 0.00 178.00 179.60 3gjx n VAL 968 N -4.74 5.61 -1.61 1.56 0.31 -1.17 -4.91 118.33 113.38 3gjx n VAL 968 Ca 0.09 -5.61 -0.55 0.00 -0.01 0.00 0.00 64.34 58.26 3gjx n VAL 968 Cb 0.16 -1.50 -0.07 0.00 -0.91 0.00 0.00 33.84 31.53 3gjx n VAL 968 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3gjx n ASN 969 N -0.11 1.59 -0.15 4.52 4.05 -1.12 -4.36 115.26 119.68 3gjx n ASN 969 Ca 0.49 1.12 0.04 0.00 0.45 0.00 0.00 54.58 56.68 3gjx n ASN 969 Cb 0.26 -1.14 0.09 0.00 1.23 0.00 0.00 39.78 40.22 3gjx n ASN 969 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3gjx n ASN 970 N 3.06 -0.11 0.20 1.20 5.03 -1.26 0.93 115.26 124.29 3gjx n ASN 970 Ca 0.21 0.73 -0.15 0.00 0.87 0.00 0.00 54.58 56.24 3gjx n ASN 970 Cb 0.16 -0.24 -0.08 0.00 -1.02 0.00 0.00 39.78 38.60 3gjx n ASN 970 CO 0.00 0.00 0.00 -0.61 -1.83 0.00 0.00 177.26 174.82 3gjx h GLN 971 N 0.00 -0.41 -0.50 3.52 4.15 -1.87 -1.42 115.11 118.58 3gjx h GLN 971 Ca 0.23 0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.76 3gjx h GLN 971 Cb 0.40 0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.12 3gjx h GLN 971 CO -0.42 -0.27 0.12 0.52 -1.93 0.00 0.00 178.83 176.84 3gjx h MET 972 N -0.43 0.26 0.02 1.69 2.86 0.23 0.17 114.93 119.73 3gjx h MET 972 Ca -0.04 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 3gjx h MET 972 Cb 0.33 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.88 3gjx h MET 972 CO 0.07 0.17 -0.33 0.35 1.06 0.00 0.00 176.91 178.24 3gjx h PHE 973 N 0.27 -0.89 -0.38 -0.22 3.04 -0.78 0.93 116.94 118.90 3gjx h PHE 973 Ca 0.25 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 62.19 3gjx h PHE 973 Cb 0.33 0.39 -0.02 0.00 2.56 0.00 0.00 35.95 39.21 3gjx h PHE 973 CO -0.21 -0.42 0.09 0.82 -2.02 0.00 0.00 178.31 176.57 3gjx h ILE 974 N -0.49 1.23 -0.91 1.41 2.04 -1.10 0.59 117.51 120.28 3gjx h ILE 974 Ca 0.06 -0.79 0.15 0.00 1.00 0.00 0.00 64.86 65.28 3gjx h ILE 974 Cb 0.57 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.59 3gjx h ILE 974 CO -0.26 0.27 0.58 -0.61 0.00 0.00 0.00 178.15 178.14 3gjx h GLN 975 N 0.47 0.67 0.06 2.37 -0.00 -0.53 0.35 115.11 118.49 3gjx h GLN 975 Ca 0.12 -0.04 -0.12 0.00 -0.00 0.00 0.00 58.65 58.60 3gjx h GLN 975 Cb 0.32 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.65 3gjx h GLN 975 CO 0.00 0.44 -0.60 0.22 0.00 0.00 0.00 178.83 178.89 3gjx h ASP 976 N 0.69 0.20 -0.95 -0.69 3.58 -0.41 -2.94 116.42 115.90 3gjx h ASP 976 Ca 0.47 -0.91 0.18 0.00 0.42 0.00 0.00 57.03 57.19 3gjx h ASP 976 Cb 0.77 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.67 3gjx h ASP 976 CO -0.22 1.27 0.61 0.22 -2.88 0.00 0.00 179.24 178.23 3gjx h TYR 977 N -0.70 0.86 0.09 0.28 3.20 0.84 -1.03 116.97 120.51 3gjx h TYR 977 Ca -0.13 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.61 3gjx h TYR 977 Cb 1.35 -0.26 0.02 0.00 1.54 0.00 0.00 36.73 39.37 3gjx h TYR 977 CO 0.21 0.24 -0.69 0.28 -1.64 0.00 0.00 178.16 176.56 3gjx h VAL 978 N 0.66 1.51 0.21 1.81 2.07 -0.44 -1.82 116.25 120.25 3gjx h VAL 978 Ca 0.51 -2.39 0.01 0.00 0.82 0.00 0.00 66.70 65.66 3gjx h VAL 978 Cb 0.92 3.05 -0.04 0.00 -1.52 0.00 0.00 31.29 33.70 3gjx h VAL 978 CO -0.27 0.68 -0.40 0.00 0.02 0.00 0.00 177.57 177.59 3gjx h ALA 979 N 0.15 -0.77 -0.83 1.67 0.00 -1.31 0.99 119.26 119.15 3gjx h ALA 979 Ca -0.11 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 54.90 3gjx h ALA 979 Cb 1.49 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 19.87 3gjx h ALA 979 CO 0.13 -0.99 0.56 -0.97 0.00 0.00 0.00 179.25 177.98 3gjx h ASN 980 N -0.70 0.32 0.42 0.00 -1.24 -1.29 0.32 115.58 113.40 3gjx h ASN 980 Ca 0.00 0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 3gjx h ASN 980 Cb 0.69 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.71 3gjx h ASN 980 CO -0.18 0.14 -0.20 0.25 -1.29 0.00 0.00 177.43 176.15 3gjx h LEU 981 N 0.32 -0.47 -1.84 0.34 5.85 -0.28 -2.65 115.31 116.58 3gjx h LEU 981 Ca 0.42 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 3gjx h LEU 981 Cb 1.15 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 3gjx h LEU 981 CO -0.13 -0.22 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.56 3gjx h LEU 982 N -0.72 0.00 0.29 2.25 3.38 0.21 -2.95 115.31 117.77 3gjx h LEU 982 Ca -0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3gjx h LEU 982 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3gjx h LEU 982 CO 0.09 0.13 -0.14 0.50 0.09 0.00 0.00 178.44 179.11 3gjx h LYS 983 N 0.00 -0.38 0.00 1.13 3.64 -0.09 0.98 116.57 121.85 3gjx h LYS 983 Ca -0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3gjx h LYS 983 Cb 0.37 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3gjx h LYS 983 CO 0.02 -0.25 -0.04 0.66 -2.27 0.00 0.00 179.45 177.56 3gjx h SER 984 N -0.50 0.00 0.34 4.20 4.64 -1.53 -1.92 113.55 118.79 3gjx h SER 984 Ca -0.04 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.95 3gjx h SER 984 Cb 0.30 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3gjx h SER 984 CO 0.07 0.04 -1.48 0.00 -0.87 0.00 0.00 176.83 174.58 3gjx h ALA 985 N 1.96 -0.04 -2.44 5.18 0.00 -1.49 -3.40 119.26 119.02 3gjx h ALA 985 Ca -0.00 -0.93 -0.59 0.00 0.00 0.00 0.00 54.91 53.39 3gjx h ALA 985 Cb 0.26 0.20 -0.40 0.00 0.00 0.00 0.00 17.79 17.84 3gjx h ALA 985 CO 0.01 0.83 -0.82 1.19 0.00 0.00 0.00 179.25 180.45 3gjx n PHE 986 N -3.64 1.23 0.13 0.00 3.01 0.34 -4.97 117.46 113.55 3gjx n PHE 986 Ca -0.16 -3.80 0.09 0.00 1.01 0.00 0.00 57.45 54.58 3gjx n PHE 986 Cb 1.08 -0.27 0.58 0.00 -0.01 0.00 0.00 39.48 40.86 3gjx n PHE 986 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3gjx h PRO 987 N 4.92 0.18 0.00 -1.08 0.13 -1.59 -2.54 132.00 132.01 3gjx h PRO 987 Ca 0.18 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3gjx h PRO 987 Cb 0.81 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3gjx h PRO 987 CO 0.58 0.12 0.00 1.12 -0.23 0.00 0.00 178.00 179.58 3gjx h HIS 988 N 0.18 0.00 -3.38 1.56 2.07 -1.93 -3.42 115.15 110.23 3gjx h HIS 988 Ca 0.10 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.09 3gjx h HIS 988 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 3gjx h HIS 988 CO -0.00 0.00 0.51 -0.51 -3.07 0.00 0.00 177.93 174.86 3gjx s LEU 989 N -5.50 4.42 0.52 6.12 1.43 -0.96 -4.40 118.68 120.31 3gjx s LEU 989 Ca -0.02 2.02 -0.19 0.00 -1.03 0.00 0.00 54.13 54.92 3gjx s LEU 989 Cb 0.10 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.66 3gjx s LEU 989 CO 0.38 -0.34 1.06 0.00 0.23 0.00 0.00 176.35 177.68 3gjx s GLN 990 N 0.41 3.60 0.35 1.70 -2.07 -1.26 -4.91 119.66 117.47 3gjx s GLN 990 Ca 0.54 1.36 0.13 0.00 -1.82 0.00 0.00 55.36 55.56 3gjx s GLN 990 Cb -0.29 -2.06 0.95 0.00 -1.09 0.00 0.00 33.01 30.52 3gjx s GLN 990 CO 0.32 -0.60 1.76 -0.44 -1.32 0.00 0.00 175.29 175.00 3gjx h ASP 991 N 1.19 0.60 -0.55 12.60 3.32 -1.95 -1.14 116.42 130.50 3gjx h ASP 991 Ca -0.49 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.65 3gjx h ASP 991 Cb 1.23 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.76 3gjx h ASP 991 CO 0.58 0.13 0.29 0.00 -1.72 0.00 0.00 179.24 178.52 3gjx h ALA 992 N 1.67 0.70 0.16 3.45 0.00 -1.98 0.26 119.26 123.51 3gjx h ALA 992 Ca 0.61 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.43 3gjx h ALA 992 Cb 1.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3gjx h ALA 992 CO -0.38 0.23 -0.28 1.96 0.00 0.00 0.00 179.25 180.79 3gjx h GLN 993 N 0.73 -0.50 0.23 0.00 4.20 -1.58 0.40 115.11 118.59 3gjx h GLN 993 Ca 0.19 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.94 3gjx h GLN 993 Cb 0.07 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3gjx h GLN 993 CO -0.03 -0.33 -0.27 0.28 -0.67 0.00 0.00 178.83 177.81 3gjx h VAL 994 N -0.52 0.42 -0.44 -0.54 2.07 -1.31 -0.52 116.25 115.41 3gjx h VAL 994 Ca 0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.56 3gjx h VAL 994 Cb 0.53 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3gjx h VAL 994 CO -0.14 0.00 0.29 0.50 0.02 0.00 0.00 177.57 178.24 3gjx h LYS 995 N -0.55 0.52 -0.28 1.57 3.64 -0.40 0.14 116.57 121.20 3gjx h LYS 995 Ca 0.00 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 3gjx h LYS 995 Cb 0.52 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3gjx h LYS 995 CO -0.08 0.34 -0.52 1.25 -2.27 0.00 0.00 179.45 178.17 3gjx h LEU 996 N 0.53 0.90 -0.07 5.20 5.85 -0.54 -2.45 115.31 124.73 3gjx h LEU 996 Ca 0.17 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3gjx h LEU 996 Cb 0.03 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 3gjx h LEU 996 CO -0.04 1.25 -0.11 0.15 -0.34 0.00 0.00 178.44 179.35 3gjx h PHE 997 N 0.63 0.26 -0.19 1.25 3.57 0.29 -2.38 116.94 120.36 3gjx h PHE 997 Ca 0.02 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 3gjx h PHE 997 Cb 1.11 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 3gjx h PHE 997 CO 0.06 0.70 -0.25 0.28 -2.23 0.00 0.00 178.31 176.87 3gjx h VAL 998 N -0.26 1.25 -0.49 1.41 2.07 -0.87 -2.16 116.25 117.21 3gjx h VAL 998 Ca 0.01 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.25 3gjx h VAL 998 Cb 0.67 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3gjx h VAL 998 CO 0.03 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.99 3gjx h THR 999 N 0.32 1.26 0.00 2.57 1.03 -1.44 -2.89 112.91 113.76 3gjx h THR 999 Ca 0.05 -1.07 -0.04 0.00 -0.01 0.00 0.00 66.41 65.34 3gjx h THR 999 Cb 0.62 0.97 -0.01 0.00 -1.07 0.00 0.00 68.15 68.67 3gjx h THR 999 CO 0.04 0.37 -0.19 1.23 -0.01 0.00 0.00 175.52 176.97 3gjx h GLY 1000N 0.73 0.00 0.72 2.99 0.00 -0.96 -1.87 103.07 104.68 3gjx h GLY 1000Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.59 3gjx h GLY 1000CO 0.02 0.00 0.53 1.41 0.00 0.00 0.00 176.54 178.50 3gjx h LEU 1001N 0.00 0.59 0.24 3.11 3.38 -1.18 -0.30 115.31 121.16 3gjx h LEU 1001Ca -0.00 0.02 -0.33 0.00 0.09 0.00 0.00 57.88 57.66 3gjx h LEU 1001Cb 0.46 -0.10 0.04 0.00 0.09 0.00 0.00 40.66 41.15 3gjx h LEU 1001CO 0.03 0.33 -1.44 -0.26 0.09 0.00 0.00 178.44 177.18 3gjx h PHE 1002N 0.64 0.98 -0.32 1.13 -1.00 -1.43 -3.08 116.94 113.86 3gjx h PHE 1002Ca 0.39 -0.71 -0.14 0.00 2.81 0.00 0.00 57.97 60.32 3gjx h PHE 1002Cb 0.62 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 3gjx h PHE 1002CO -0.00 1.55 -0.36 0.77 -1.61 0.00 0.00 178.31 178.66 3gjx h SER 1003N 0.14 0.87 -0.07 2.17 0.02 -1.24 -3.11 113.55 112.33 3gjx h SER 1003Ca -0.25 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 3gjx h SER 1003Cb 2.13 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.43 3gjx h SER 1003CO 0.27 1.18 0.00 0.18 -1.14 0.00 0.00 176.83 177.32 3gjx n LEU 1004N -4.16 1.81 0.00 5.07 4.77 -0.16 -4.21 117.00 120.12 3gjx n LEU 1004Ca -0.03 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 3gjx n LEU 1004Cb 0.52 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3gjx n LEU 1004CO 0.47 0.32 0.32 -0.46 -1.33 0.00 0.00 177.39 176.72 3gjx n ASN 1005N 0.41 0.00 -0.03 -1.43 0.23 -1.16 -0.09 115.26 113.19 3gjx n ASN 1005Ca 0.18 0.16 0.01 0.00 -0.53 0.00 0.00 54.58 54.39 3gjx n ASN 1005Cb 0.39 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 3gjx n ASN 1005CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 3gjx n GLN 1006N -1.12 1.59 -3.91 -3.83 7.27 -1.26 -4.51 117.38 111.60 3gjx n GLN 1006Ca 0.00 -0.38 -0.29 0.00 0.07 0.00 0.00 57.00 56.40 3gjx n GLN 1006Cb 0.02 -0.87 -0.13 0.00 2.41 0.00 0.00 30.24 31.67 3gjx n GLN 1006CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3gjx s ASP 1007N -0.42 4.58 0.12 1.69 3.68 0.87 -5.01 116.67 122.18 3gjx s ASP 1007Ca 0.01 -3.50 -0.22 0.00 2.13 0.00 0.00 52.55 50.97 3gjx s ASP 1007Cb 0.01 -1.62 -0.06 0.00 -1.45 0.00 0.00 42.92 39.80 3gjx s ASP 1007CO 0.02 -0.15 1.69 -0.29 0.13 0.00 0.00 175.17 176.57 3gjx h ILE 1008N 4.85 0.71 -0.84 4.11 2.10 -1.89 0.12 117.51 126.67 3gjx h ILE 1008Ca 0.05 0.00 0.21 0.00 1.08 0.00 0.00 64.86 66.20 3gjx h ILE 1008Cb 0.81 0.71 -0.05 0.00 -1.09 0.00 0.00 36.82 37.20 3gjx h ILE 1008CO 0.70 0.00 0.58 -0.65 -1.08 0.00 0.00 178.15 177.70 3gjx h PRO 1009N -0.15 0.23 -0.17 2.19 0.11 -1.94 0.62 132.00 132.88 3gjx h PRO 1009Ca 0.06 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.07 3gjx h PRO 1009Cb 0.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 3gjx h PRO 1009CO -0.16 0.15 -0.23 0.00 -0.21 0.00 0.00 178.00 177.55 3gjx h ALA 1010N 1.61 0.26 -0.60 -0.75 0.00 -1.49 -2.91 119.26 115.38 3gjx h ALA 1010Ca 0.42 -0.37 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3gjx h ALA 1010Cb 1.29 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.94 3gjx h ALA 1010CO -0.10 0.22 0.10 0.35 0.00 0.00 0.00 179.25 179.82 3gjx h PHE 1011N 0.10 0.15 0.00 0.00 3.57 0.26 0.04 116.94 121.06 3gjx h PHE 1011Ca 0.02 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3gjx h PHE 1011Cb 0.79 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3gjx h PHE 1011CO 0.09 -0.07 -0.40 0.87 -2.23 0.00 0.00 178.31 176.58 3gjx h LYS 1012N 0.22 -0.48 -0.81 1.11 1.57 -0.53 0.30 116.57 117.95 3gjx h LYS 1012Ca 0.32 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.25 3gjx h LYS 1012Cb 0.49 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.85 3gjx h LYS 1012CO -0.43 -0.32 0.53 0.93 -0.57 0.00 0.00 179.45 179.59 3gjx h GLU 1013N -0.50 0.65 -0.65 3.15 4.39 -1.19 0.84 114.58 121.28 3gjx h GLU 1013Ca 0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.58 3gjx h GLU 1013Cb 0.53 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3gjx h GLU 1013CO -0.26 0.43 0.07 1.25 -1.16 0.00 0.00 179.01 179.34 3gjx h HIS 1014N 0.67 1.17 -0.58 4.33 2.76 -0.33 0.13 115.15 123.31 3gjx h HIS 1014Ca 0.39 -0.18 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3gjx h HIS 1014Cb 0.58 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 29.20 3gjx h HIS 1014CO -0.00 1.00 0.22 -0.07 -1.30 0.00 0.00 177.93 177.78 3gjx h LEU 1015N 1.01 0.81 -0.87 0.26 3.38 0.39 -2.75 115.31 117.53 3gjx h LEU 1015Ca 0.19 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3gjx h LEU 1015Cb 0.48 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3gjx h LEU 1015CO 0.02 0.77 0.58 0.03 0.09 0.00 0.00 178.44 179.93 3gjx h ARG 1016N 0.80 1.13 -0.75 1.13 3.08 -0.20 -1.80 114.38 117.79 3gjx h ARG 1016Ca 0.19 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.25 3gjx h ARG 1016Cb 0.22 -0.26 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 3gjx h ARG 1016CO -0.01 0.75 0.41 -0.44 -1.07 0.00 0.00 179.97 179.61 3gjx h ASP 1017N 1.17 0.60 -0.77 7.04 5.19 -0.57 -2.18 116.42 126.90 3gjx h ASP 1017Ca 0.33 0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.73 3gjx h ASP 1017Cb -0.11 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.30 3gjx h ASP 1017CO -0.08 0.36 0.28 0.15 -3.12 0.00 0.00 179.24 176.83 3gjx h PHE 1018N 0.73 1.21 0.00 4.55 3.57 -1.05 -2.51 116.94 123.43 3gjx h PHE 1018Ca 0.35 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 3gjx h PHE 1018Cb 0.29 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3gjx h PHE 1018CO -0.08 0.93 -0.29 1.25 -2.23 0.00 0.00 178.31 177.89 3gjx h LEU 1019N 1.14 0.00 -0.12 0.59 5.85 -0.95 -1.74 115.31 120.08 3gjx h LEU 1019Ca 0.25 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3gjx h LEU 1019Cb 0.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 3gjx h LEU 1019CO -0.02 0.29 -0.13 0.58 -0.34 0.00 0.00 178.44 178.83 3gjx h VAL 1020N 0.00 1.36 -0.75 1.05 2.07 -1.23 -3.26 116.25 115.50 3gjx h VAL 1020Ca -0.00 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3gjx h VAL 1020Cb 0.55 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 3gjx h VAL 1020CO 0.04 0.37 0.38 1.56 0.02 0.00 0.00 177.57 179.95 3gjx h GLN 1021N -0.11 1.06 0.00 1.57 4.20 -1.04 -2.81 115.11 117.98 3gjx h GLN 1021Ca 0.02 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3gjx h GLN 1021Cb 0.65 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3gjx h GLN 1021CO 0.03 0.81 -0.03 -0.84 -0.67 0.00 0.00 178.83 178.13 3gjx h ILE 1022N 1.04 0.07 0.00 2.54 3.07 -1.43 -0.45 117.51 122.36 3gjx h ILE 1022Ca 0.26 -0.62 0.00 0.00 1.55 0.00 0.00 64.86 66.05 3gjx h ILE 1022Cb 0.08 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 3gjx h ILE 1022CO -0.04 0.03 0.00 0.29 -1.05 0.00 0.00 178.15 177.38 3gjx n LYS 1023N -3.13 0.17 -4.02 0.16 5.02 -1.06 -4.77 118.16 110.53 3gjx n LYS 1023Ca 0.01 0.25 -0.31 0.00 -2.02 0.00 0.00 58.31 56.24 3gjx n LYS 1023Cb 0.34 -1.75 -0.16 0.00 -0.02 0.00 0.00 35.03 33.44 3gjx n LYS 1023CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gjx s GLU 1024N -3.14 2.22 -0.80 1.97 2.02 -0.18 -4.71 118.70 116.08 3gjx s GLU 1024Ca 0.09 -0.77 -0.26 0.00 0.02 0.00 0.00 54.97 54.05 3gjx s GLU 1024Cb 0.12 -2.34 0.03 0.00 0.10 0.00 0.00 34.13 32.03 3gjx s GLU 1024CO 0.49 -0.35 1.39 -0.06 0.02 0.00 0.00 175.26 176.75 3gjx s PHE 1025N 1.41 2.27 0.13 1.61 0.08 -0.79 -4.85 117.98 117.83 3gjx s PHE 1025Ca 0.01 -0.14 -0.15 0.00 0.12 0.00 0.00 56.93 56.77 3gjx s PHE 1025Cb -0.15 -4.58 -0.00 0.00 -0.57 0.00 0.00 43.02 37.72 3gjx s PHE 1025CO -0.09 -2.06 1.63 0.00 -0.10 0.00 0.00 175.22 174.60 3gjx h ALA 1026N 10.44 0.56 0.00 5.36 0.00 -1.86 -3.37 119.26 130.40 3gjx h ALA 1026Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gjx h ALA 1026Cb 1.05 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gjx h ALA 1026CO 1.31 0.26 0.00 0.41 0.00 0.00 0.00 179.25 181.23 3gjx n GLY 1027N -0.55 -4.16 0.04 0.00 0.00 -1.26 -4.15 105.19 95.10 3gjx n GLY 1027Ca -0.00 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.06 3gjx n GLY 1027CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gjx n GLU 1028N -0.09 0.41 -0.01 1.61 1.02 -1.26 -4.48 120.64 117.84 3gjx n GLU 1028Ca 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.08 3gjx n GLU 1028Cb 0.00 -1.60 -0.02 0.00 -0.02 0.00 0.00 31.44 29.81 3gjx n GLU 1028CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3gjx h ASP 1029N 0.00 -0.08 -2.66 1.62 3.32 -1.94 -3.46 116.42 113.22 3gjx h ASP 1029Ca 0.00 -0.07 -0.60 0.00 0.02 0.00 0.00 57.03 56.39 3gjx h ASP 1029Cb 0.82 0.02 0.10 0.00 0.22 0.00 0.00 39.33 40.49 3gjx h ASP 1029CO 0.00 0.44 0.37 0.41 -1.72 0.00 0.00 179.24 178.74 3gjx n THR 1030N -4.83 1.56 -2.68 0.35 -1.04 -1.26 -4.92 114.28 101.45 3gjx n THR 1030Ca -0.02 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 3gjx n THR 1030Cb 0.07 -1.25 0.04 0.00 -1.82 0.00 0.00 70.33 67.38 3gjx n THR 1030CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3gjx n SER 1031N 1.47 1.58 -2.13 8.00 2.88 -1.26 -4.89 113.62 119.26 3gjx n SER 1031Ca 0.10 -2.14 -0.26 0.00 -1.33 0.00 0.00 58.87 55.24 3gjx n SER 1031Cb 0.32 -0.42 0.06 0.00 -0.75 0.00 0.00 64.21 63.41 3gjx n SER 1031CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gjx n ASP 1032N -0.31 7.09 -0.62 -3.46 9.92 -1.26 -4.25 116.55 123.67 3gjx n ASP 1032Ca 0.09 -3.43 0.13 0.00 -0.53 0.00 0.00 54.79 51.04 3gjx n ASP 1032Cb 0.90 -1.02 0.24 0.00 -0.64 0.00 0.00 41.12 40.60 3gjx n ASP 1032CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3gjx n LEU 1033N -0.27 2.07 -3.89 0.64 7.94 -1.26 -4.95 117.00 117.29 3gjx n LEU 1033Ca 0.47 -0.70 -0.27 0.00 -1.11 0.00 0.00 56.01 54.40 3gjx n LEU 1033Cb 0.61 -0.02 0.01 0.00 0.53 0.00 0.00 43.42 44.56 3gjx n LEU 1033CO 0.58 0.36 -0.03 0.49 -1.11 0.00 0.00 177.39 177.68 3gjx n PHE 1034N 0.43 -1.99 0.57 1.96 3.01 -1.26 -4.77 117.46 115.40 3gjx n PHE 1034Ca 0.14 0.84 0.00 0.00 1.01 0.00 0.00 57.45 59.45 3gjx n PHE 1034Cb 0.47 -3.96 0.00 0.00 -0.01 0.00 0.00 39.48 35.98 3gjx n PHE 1034CO 0.00 0.00 0.00 1.47 1.01 0.00 0.00 176.76 179.24 3gjx n LEU 1035N -4.47 0.52 0.00 4.37 -0.00 -1.26 -1.59 117.00 114.58 3gjx n LEU 1035Ca -0.13 -0.26 0.00 0.00 -0.00 0.00 0.00 56.01 55.62 3gjx n LEU 1035Cb 0.60 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.76 3gjx n LEU 1035CO 0.74 0.13 -0.37 -1.84 -0.00 0.00 0.00 177.39 176.05 3gjx n GLU 1036N 0.20 1.11 0.01 1.47 0.00 -1.26 -4.42 120.64 117.75 3gjx n GLU 1036Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.16 57.04 3gjx n GLU 1036Cb 0.13 -0.87 0.00 0.00 0.00 0.00 0.00 31.44 30.70 3gjx n GLU 1036CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3gjx h GLU 1037N 0.00 0.57 -0.18 3.44 5.08 -1.66 -2.85 114.58 118.98 3gjx h GLU 1037Ca 0.00 -0.43 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 3gjx h GLU 1037Cb 0.74 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3gjx h GLU 1037CO 0.00 1.06 -0.57 0.00 -1.00 0.00 0.00 179.01 178.50 3gjx h ARG 1038N 0.40 0.56 0.00 2.33 3.08 -1.73 -3.15 114.38 115.88 3gjx h ARG 1038Ca -0.03 -0.37 -0.01 0.00 0.07 0.00 0.00 59.98 59.65 3gjx h ARG 1038Cb 1.28 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 31.37 3gjx h ARG 1038CO 0.13 0.98 -0.06 1.49 -1.07 0.00 0.00 179.97 181.44 3gjx h GLU 1039N 0.43 0.00 0.21 0.04 4.81 -1.74 -0.07 114.58 118.25 3gjx h GLU 1039Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 3gjx h GLU 1039Cb 1.12 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.52 3gjx h GLU 1039CO 0.11 0.06 -1.52 1.79 -0.73 0.00 0.00 179.01 178.71 3gjx h THR 1040N 0.00 1.22 -0.18 0.32 1.35 -1.47 -2.88 112.91 111.27 3gjx h THR 1040Ca -0.00 -2.72 -0.06 0.00 -0.55 0.00 0.00 66.41 63.08 3gjx h THR 1040Cb 0.20 2.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 3gjx h THR 1040CO 0.01 0.83 -0.15 0.00 -0.25 0.00 0.00 175.52 175.96 3gjx h ALA 1041N 0.24 1.42 -0.25 6.62 0.00 -1.29 0.32 119.26 126.32 3gjx h ALA 1041Ca -0.26 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3gjx h ALA 1041Cb 2.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 3gjx h ALA 1041CO 0.23 0.40 -0.19 -0.07 0.00 0.00 0.00 179.25 179.62 3gjx h LEU 1042N 0.27 0.60 -0.67 0.00 3.38 -1.11 -1.42 115.31 116.36 3gjx h LEU 1042Ca 0.05 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 3gjx h LEU 1042Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3gjx h LEU 1042CO 0.03 0.92 -0.54 0.03 0.09 0.00 0.00 178.44 178.96 3gjx h ARG 1043N 0.28 0.00 -0.24 1.13 2.47 -1.26 0.07 114.38 116.83 3gjx h ARG 1043Ca 0.05 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.67 3gjx h ARG 1043Cb 0.73 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.04 3gjx h ARG 1043CO 0.05 0.54 -0.25 1.96 0.56 0.00 0.00 179.97 182.84 3gjx h GLN 1044N 0.00 0.46 0.00 0.04 4.20 -0.30 0.19 115.11 119.70 3gjx h GLN 1044Ca -0.01 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3gjx h GLN 1044Cb 1.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3gjx h GLN 1044CO 0.07 0.68 -0.26 0.00 -0.67 0.00 0.00 178.83 178.65 3gjx h ALA 1045N 1.33 0.87 0.06 3.87 0.00 -0.89 -3.03 119.26 121.46 3gjx h ALA 1045Ca 0.06 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.49 3gjx h ALA 1045Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3gjx h ALA 1045CO 0.05 0.33 -1.06 0.37 0.00 0.00 0.00 179.25 178.94 3gjx h GLN 1046N 0.00 0.31 -0.41 0.00 5.75 -0.11 -3.15 115.11 117.51 3gjx h GLN 1046Ca -0.00 -0.41 -0.04 0.00 -0.15 0.00 0.00 58.65 58.04 3gjx h GLN 1046Cb 1.07 0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 3gjx h GLN 1046CO 0.03 1.13 0.08 1.49 -2.65 0.00 0.00 178.83 178.91 3gjx h GLU 1047N 0.14 0.66 -0.10 1.69 4.81 -0.63 -2.20 114.58 118.95 3gjx h GLU 1047Ca -0.10 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3gjx h GLU 1047Cb 1.73 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 31.03 3gjx h GLU 1047CO 0.18 0.69 0.12 1.49 -0.73 0.00 0.00 179.01 180.76 3gjx h GLU 1048N 0.52 0.00 0.00 1.92 4.57 -1.59 -3.25 114.58 116.74 3gjx h GLU 1048Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3gjx h GLU 1048Cb 0.34 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.93 3gjx h GLU 1048CO 0.00 0.00 0.00 1.17 -1.18 0.00 0.00 179.01 179.00 3gjx n LYS 1049N -3.78 0.00 -0.32 1.92 4.81 -0.83 0.24 118.16 120.20 3gjx n LYS 1049Ca -0.00 0.81 0.11 0.00 -0.87 0.00 0.00 58.31 58.35 3gjx n LYS 1049Cb 0.22 -1.49 0.32 0.00 0.02 0.00 0.00 35.03 34.10 3gjx n LYS 1049CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3gjx h HIS 1050N 0.00 0.97 0.00 5.64 3.86 -1.72 0.40 115.15 124.30 3gjx h HIS 1050Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3gjx h HIS 1050Cb 0.00 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.17 3gjx h HIS 1050CO -0.50 0.34 0.00 0.87 0.86 0.00 0.00 177.93 179.50 3gjx h LYS 1051N 0.81 0.00 0.03 2.45 1.57 -1.05 -1.33 116.57 119.05 3gjx h LYS 1051Ca 0.49 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.15 3gjx h LYS 1051Cb 0.68 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3gjx h LYS 1051CO -0.25 0.00 -0.60 -0.07 -0.57 0.00 0.00 179.45 177.96 3gjx h LEU 1052N 0.00 0.11 -6.00 2.94 3.38 0.72 -3.43 115.31 113.03 3gjx h LEU 1052Ca 0.00 -0.85 -0.56 0.00 0.09 0.00 0.00 57.88 56.55 3gjx h LEU 1052Cb 0.33 -0.03 -0.40 0.00 0.09 0.00 0.00 40.66 40.64 3gjx h LEU 1052CO 0.00 1.25 -0.93 1.67 0.09 0.00 0.00 178.44 180.52 3gjx n GLN 1053N -4.42 1.46 -4.72 1.13 -0.06 -0.26 -5.07 117.38 105.45 3gjx n GLN 1053Ca -0.18 -3.79 -0.33 0.00 -2.00 0.00 0.00 57.00 50.71 3gjx n GLN 1053Cb 0.63 -1.66 -0.07 0.00 -4.06 0.00 0.00 30.24 25.08 3gjx n GLN 1053CO 0.00 0.00 0.00 -1.33 -0.20 0.00 0.00 177.06 175.53 3gjx n MET 1054N 0.98 0.73 0.00 3.69 2.81 -0.52 -4.80 117.12 120.01 3gjx n MET 1054Ca 0.25 -3.77 0.00 0.00 -1.81 0.00 0.00 57.70 52.37 3gjx n MET 1054Cb 0.50 1.08 0.00 0.00 -0.71 0.00 0.00 33.22 34.09 3gjx n MET 1054CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93