#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3duf s GLN 2 N 0.00 4.25 0.10 0.00 -1.52 -1.26 -0.27 119.66 120.96 3duf s GLN 2 Ca 0.00 1.46 0.03 0.00 -1.95 0.00 0.00 55.36 54.90 3duf s GLN 2 Cb 0.00 -3.68 -0.04 0.00 -0.22 0.00 0.00 33.01 29.07 3duf s GLN 2 CO 0.00 -0.65 -0.09 -1.64 -0.25 0.00 0.00 175.29 172.66 3duf s MET 3 N 3.28 0.84 0.56 2.91 -1.94 0.02 -4.87 119.30 120.09 3duf s MET 3 Ca 0.48 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 53.27 3duf s MET 3 Cb -0.17 -0.45 0.03 0.00 2.01 0.00 0.00 34.83 36.25 3duf s MET 3 CO 0.09 0.06 0.80 0.95 -0.01 0.00 0.00 175.02 176.90 3duf s THR 4 N -2.69 2.75 0.36 2.05 -4.23 -1.26 -1.48 115.64 111.13 3duf s THR 4 Ca 0.07 -0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.07 3duf s THR 4 Cb -0.01 -3.05 0.14 0.00 1.34 0.00 0.00 72.50 70.91 3duf s THR 4 CO -0.01 -0.04 1.87 -0.03 -0.54 0.00 0.00 174.62 175.87 3duf h MET 5 N 0.01 0.28 -0.14 3.99 4.05 -1.56 -2.27 114.93 119.30 3duf h MET 5 Ca -0.43 -0.07 -0.12 0.00 -0.28 0.00 0.00 59.70 58.80 3duf h MET 5 Cb 1.29 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 3duf h MET 5 CO 0.54 0.45 -0.42 -0.24 0.23 0.00 0.00 176.91 177.46 3duf h VAL 6 N 0.26 1.31 -0.34 -5.77 3.04 -1.19 -2.04 116.25 111.53 3duf h VAL 6 Ca 0.05 -1.56 -0.17 0.00 -1.01 0.00 0.00 66.70 64.01 3duf h VAL 6 Cb 0.45 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3duf h VAL 6 CO 0.03 0.47 -0.44 1.56 -1.01 0.00 0.00 177.57 178.18 3duf h GLN 7 N 0.27 0.87 -0.57 4.17 4.20 -1.71 -1.82 115.11 120.52 3duf h GLN 7 Ca 0.02 -0.49 -0.06 0.00 0.06 0.00 0.00 58.65 58.18 3duf h GLN 7 Cb 0.86 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 3duf h GLN 7 CO 0.07 1.13 0.10 0.00 -0.67 0.00 0.00 178.83 179.46 3duf h ALA 8 N 0.80 1.11 0.03 3.87 0.00 -1.26 -0.62 119.26 123.18 3duf h ALA 8 Ca 0.04 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3duf h ALA 8 Cb 1.03 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3duf h ALA 8 CO 0.10 0.59 -0.01 0.82 0.00 0.00 0.00 179.25 180.74 3duf h ILE 9 N 0.86 1.00 -0.58 0.00 1.08 -1.16 -0.80 117.51 117.90 3duf h ILE 9 Ca 0.18 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3duf h ILE 9 Cb 0.37 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.15 3duf h ILE 9 CO 0.01 0.02 0.24 0.74 -0.69 0.00 0.00 178.15 178.47 3duf h THR 10 N -0.08 1.22 -0.80 -0.27 2.02 -1.09 -2.22 112.91 111.69 3duf h THR 10 Ca -0.00 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.46 3duf h THR 10 Cb 0.07 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 3duf h THR 10 CO 0.01 0.27 0.38 -0.78 0.37 0.00 0.00 175.52 175.77 3duf h ASP 11 N 0.81 1.06 0.22 4.18 3.58 -0.99 -0.45 116.42 124.81 3duf h ASP 11 Ca 0.20 -0.14 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 3duf h ASP 11 Cb 0.19 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 3duf h ASP 11 CO -0.02 0.90 -0.26 0.00 -2.88 0.00 0.00 179.24 176.98 3duf h ALA 12 N 1.20 1.47 0.04 -0.78 0.00 -0.88 -1.88 119.26 118.43 3duf h ALA 12 Ca 0.28 -0.26 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 3duf h ALA 12 Cb 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.86 3duf h ALA 12 CO -0.03 0.38 -1.05 -0.07 0.00 0.00 0.00 179.25 178.48 3duf h LEU 13 N 0.08 0.63 -0.45 0.00 3.38 -0.81 -2.90 115.31 115.24 3duf h LEU 13 Ca 0.01 -0.54 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 3duf h LEU 13 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3duf h LEU 13 CO 0.04 1.35 0.22 -0.09 0.09 0.00 0.00 178.44 180.04 3duf h ARG 14 N 0.24 0.64 0.02 1.13 2.43 -0.73 -2.13 114.38 115.99 3duf h ARG 14 Ca -0.11 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 3duf h ARG 14 Cb 1.70 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.13 3duf h ARG 14 CO 0.19 0.55 -0.01 0.82 -1.51 0.00 0.00 179.97 180.01 3duf h ILE 15 N 0.58 1.01 0.00 1.20 2.04 -1.40 -2.82 117.51 118.11 3duf h ILE 15 Ca 0.15 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 3duf h ILE 15 Cb 0.12 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3duf h ILE 15 CO -0.02 0.02 -0.17 -0.33 0.00 0.00 0.00 178.15 177.65 3duf h GLU 16 N -0.06 0.00 -0.03 2.37 4.39 -1.43 -2.04 114.58 117.79 3duf h GLU 16 Ca -0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 3duf h GLU 16 Cb 0.05 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3duf h GLU 16 CO 0.00 0.17 -0.65 -0.07 -1.16 0.00 0.00 179.01 177.31 3duf h LEU 17 N 0.00 0.13 0.01 1.33 3.38 -1.20 -2.58 115.31 116.38 3duf h LEU 17 Ca -0.00 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3duf h LEU 17 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3duf h LEU 17 CO 0.02 0.75 -0.00 0.11 0.09 0.00 0.00 178.44 179.40 3duf h LYS 18 N 0.08 -0.01 -0.32 1.13 1.57 -1.15 -3.38 116.57 114.50 3duf h LYS 18 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 3duf h LYS 18 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 3duf h LYS 18 CO 0.09 0.77 -0.40 -0.91 -0.57 0.00 0.00 179.45 178.43 3duf h ASN 19 N -0.82 0.81 -3.58 0.86 2.35 -1.50 -3.41 115.58 110.29 3duf h ASN 19 Ca -0.00 -0.37 -0.69 0.00 -0.55 0.00 0.00 56.30 54.69 3duf h ASN 19 Cb 0.78 -0.23 -0.35 0.00 0.05 0.00 0.00 38.32 38.57 3duf h ASN 19 CO 0.00 1.11 -0.61 -0.62 -1.65 0.00 0.00 177.43 175.66 3duf s ASP 20 N -6.85 5.09 0.59 5.81 -1.08 -0.97 -4.97 116.67 114.29 3duf s ASP 20 Ca -0.09 -1.90 0.29 0.00 -0.52 0.00 0.00 52.55 50.32 3duf s ASP 20 Cb 0.12 -1.77 1.60 0.00 -1.46 0.00 0.00 42.92 41.41 3duf s ASP 20 CO 0.86 -0.45 2.04 1.55 0.52 0.00 0.00 175.17 179.68 3duf h PRO 21 N 7.96 0.00 0.00 4.34 0.13 -1.80 -1.89 132.00 140.73 3duf h PRO 21 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 3duf h PRO 21 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 3duf h PRO 21 CO 0.63 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.49 3duf n ASN 22 N -3.78 0.44 -4.74 1.44 3.02 -1.26 -4.83 115.26 105.55 3duf n ASN 22 Ca 0.04 0.60 -0.41 0.00 -0.03 0.00 0.00 54.58 54.77 3duf n ASN 22 Cb 0.43 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.87 3duf n ASN 22 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3duf s VAL 23 N -3.18 3.49 0.03 2.41 1.01 -0.71 -1.31 120.40 122.14 3duf s VAL 23 Ca 0.06 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.32 3duf s VAL 23 Cb 0.10 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3duf s VAL 23 CO 0.38 0.20 -0.09 -0.76 0.00 0.00 0.00 175.10 174.83 3duf s LEU 24 N -0.24 2.16 -0.13 3.92 1.43 -1.16 -4.94 118.68 119.72 3duf s LEU 24 Ca 0.53 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3duf s LEU 24 Cb -0.33 -0.34 0.01 0.00 0.03 0.00 0.00 46.19 45.56 3duf s LEU 24 CO 0.37 -0.05 -0.18 -0.63 0.23 0.00 0.00 176.35 176.10 3duf s ILE 25 N -0.84 1.75 0.20 -0.59 -1.09 -0.03 -1.60 121.20 119.00 3duf s ILE 25 Ca -0.03 -0.78 -0.15 0.00 -2.23 0.00 0.00 60.65 57.46 3duf s ILE 25 Cb -0.07 -1.58 0.01 0.00 -1.58 0.00 0.00 42.46 39.25 3duf s ILE 25 CO 0.00 0.49 0.47 0.72 -1.23 0.00 0.00 174.94 175.40 3duf s PHE 26 N 1.01 0.07 -5.00 3.97 -0.71 -1.23 -2.29 117.98 113.79 3duf s PHE 26 Ca -0.05 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.42 3duf s PHE 26 Cb -0.15 0.28 0.00 0.00 -1.21 0.00 0.00 43.02 41.94 3duf s PHE 26 CO -0.04 -0.90 0.00 0.41 -1.34 0.00 0.00 175.22 173.35 3duf n GLY 27 N -0.32 -0.49 3.66 1.99 0.00 -1.18 -1.35 105.19 107.49 3duf n GLY 27 Ca -0.08 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 3duf n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3duf s GLU 28 N -2.00 4.21 -1.51 1.61 2.02 -1.26 -2.36 118.70 119.41 3duf s GLU 28 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 54.97 56.38 3duf s GLU 28 Cb 0.00 -3.70 0.00 0.00 0.10 0.00 0.00 34.13 30.53 3duf s GLU 28 CO 0.00 -0.71 0.00 -0.25 0.02 0.00 0.00 175.26 174.32 3duf n ASP 29 N 6.53 -5.03 -0.59 -0.19 8.00 -1.26 -4.87 116.55 119.14 3duf n ASP 29 Ca 0.13 0.05 0.12 0.00 0.71 0.00 0.00 54.79 55.79 3duf n ASP 29 Cb 0.46 -4.11 0.14 0.00 -0.02 0.00 0.00 41.12 37.59 3duf n ASP 29 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3duf n VAL 30 N -3.80 0.00 0.00 2.53 0.24 -1.25 -1.16 118.33 114.89 3duf n VAL 30 Ca -0.20 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 61.80 3duf n VAL 30 Cb 0.64 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 34.13 3duf n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3duf n GLY 31 N 1.36 1.34 0.22 7.63 0.00 -1.26 -4.14 105.19 110.34 3duf n GLY 31 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 3duf n GLY 31 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3duf h VAL 32 N 0.00 1.21 -0.00 1.61 2.07 -1.92 -2.99 116.25 116.23 3duf h VAL 32 Ca 0.00 -0.98 -0.17 0.00 0.82 0.00 0.00 66.70 66.36 3duf h VAL 32 Cb 0.00 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3duf h VAL 32 CO 0.00 0.30 -0.81 -1.13 0.02 0.00 0.00 177.57 175.95 3duf h ASN 33 N 0.16 0.09 0.00 0.57 -1.24 -1.86 -3.48 115.58 109.82 3duf h ASN 33 Ca 0.03 -0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.97 3duf h ASN 33 Cb 0.50 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.52 3duf h ASN 33 CO 0.03 0.86 0.00 0.61 -1.29 0.00 0.00 177.43 177.64 3duf n GLY 34 N 0.77 0.68 0.00 1.57 0.00 -1.13 -4.89 105.19 102.19 3duf n GLY 34 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3duf n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 35 N -2.59 0.75 0.34 -0.02 0.00 -0.31 -2.32 105.19 101.05 3duf n GLY 35 Ca 0.00 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 3duf n GLY 35 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3duf h VAL 36 N 0.00 1.23 -0.09 1.61 2.07 -1.90 -3.01 116.25 116.16 3duf h VAL 36 Ca 0.00 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3duf h VAL 36 Cb 0.00 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3duf h VAL 36 CO 0.00 0.27 -0.06 0.49 0.02 0.00 0.00 177.57 178.30 3duf n PHE 37 N -4.33 0.31 -3.30 1.57 3.72 -1.26 -4.99 117.46 109.19 3duf n PHE 37 Ca 0.07 -1.06 -0.24 0.00 -0.05 0.00 0.00 57.45 56.18 3duf n PHE 37 Cb 0.13 -0.23 0.04 0.00 -0.94 0.00 0.00 39.48 38.48 3duf n PHE 37 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3duf n ARG 38 N -1.15 -5.48 0.07 -1.08 5.12 -1.14 -4.91 116.66 108.10 3duf n ARG 38 Ca 0.19 0.80 -0.12 0.00 -1.93 0.00 0.00 57.85 56.79 3duf n ARG 38 Cb 0.74 -5.69 -0.04 0.00 -1.16 0.00 0.00 32.46 26.31 3duf n ARG 38 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3duf h ALA 39 N 1.00 0.40 -0.49 7.54 0.00 -1.79 -3.27 119.26 122.65 3duf h ALA 39 Ca -0.53 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 53.64 3duf h ALA 39 Cb 1.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3duf h ALA 39 CO 0.57 0.86 0.01 0.25 0.00 0.00 0.00 179.25 180.94 3duf n THR 40 N -3.70 2.65 -2.01 0.00 -2.24 -0.98 -4.16 114.28 103.84 3duf n THR 40 Ca -0.06 -1.57 -0.42 0.00 -2.27 0.00 0.00 64.05 59.73 3duf n THR 40 Cb 0.83 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 3duf n THR 40 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3duf s GLU 41 N -2.81 4.26 0.00 -0.78 2.12 -1.18 -2.90 118.70 117.41 3duf s GLU 41 Ca 0.51 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.13 3duf s GLU 41 Cb 0.40 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.65 3duf s GLU 41 CO 0.14 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 3duf n GLY 42 N 2.86 2.71 0.05 -1.50 0.00 -1.26 -4.91 105.19 103.14 3duf n GLY 42 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.99 3duf n GLY 42 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3duf h LEU 43 N 0.00 0.00 -0.70 0.99 3.38 -1.88 -2.93 115.31 114.17 3duf h LEU 43 Ca 0.00 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.76 3duf h LEU 43 Cb 0.00 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3duf h LEU 43 CO 0.00 0.24 0.45 -0.61 0.09 0.00 0.00 178.44 178.60 3duf h GLN 44 N -0.23 0.86 0.00 1.13 4.15 -1.83 0.58 115.11 119.77 3duf h GLN 44 Ca 0.00 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3duf h GLN 44 Cb 0.23 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3duf h GLN 44 CO 0.00 0.57 0.00 0.00 -1.93 0.00 0.00 178.83 177.47 3duf h ALA 45 N 1.28 1.00 0.00 3.38 0.00 -1.89 0.47 119.26 123.50 3duf h ALA 45 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.90 3duf h ALA 45 Cb -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3duf h ALA 45 CO -0.09 0.00 -2.07 -1.91 0.00 0.00 0.00 179.25 175.18 3duf n GLU 46 N -2.61 0.96 0.00 0.00 2.13 -0.67 -4.69 120.64 115.76 3duf n GLU 46 Ca -0.00 0.06 0.08 0.00 0.66 0.00 0.00 57.16 57.95 3duf n GLU 46 Cb 0.16 -1.39 -0.02 0.00 0.27 0.00 0.00 31.44 30.47 3duf n GLU 46 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 3duf n PHE 47 N -2.84 0.00 0.00 4.31 3.72 0.11 -5.11 117.46 117.65 3duf n PHE 47 Ca -0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 3duf n PHE 47 Cb 0.92 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.46 3duf n PHE 47 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3duf n GLY 48 N 1.17 0.28 0.29 1.37 0.00 0.15 -4.50 105.19 103.95 3duf n GLY 48 Ca 0.06 -1.59 0.18 0.00 0.00 0.00 0.00 46.02 44.67 3duf n GLY 48 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3duf h GLU 49 N 0.00 0.00 0.00 1.61 4.81 -1.73 -1.36 114.58 117.91 3duf h GLU 49 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3duf h GLU 49 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3duf h GLU 49 CO 0.00 0.03 0.00 -0.40 -0.73 0.00 0.00 179.01 177.91 3duf n ASP 50 N -3.20 0.00 0.00 1.04 5.75 -1.26 -3.31 116.55 115.57 3duf n ASP 50 Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 3duf n ASP 50 Cb 0.24 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 3duf n ASP 50 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3duf n ARG 51 N -1.34 1.88 -3.67 0.11 1.74 -0.67 -4.97 116.66 109.73 3duf n ARG 51 Ca 0.09 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.91 3duf n ARG 51 Cb 0.20 -0.82 -0.17 0.00 -1.02 0.00 0.00 32.46 30.65 3duf n ARG 51 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3duf s VAL 52 N -1.50 0.15 0.14 1.55 1.01 -0.60 -0.85 120.40 120.31 3duf s VAL 52 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 3duf s VAL 52 Cb 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3duf s VAL 52 CO 0.00 -0.19 0.24 0.72 0.00 0.00 0.00 175.10 175.87 3duf s PHE 53 N 2.03 0.39 0.44 5.22 -0.71 -0.97 -4.13 117.98 120.25 3duf s PHE 53 Ca 0.01 -0.77 -0.03 0.00 -1.04 0.00 0.00 56.93 55.10 3duf s PHE 53 Cb -0.16 -0.10 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 3duf s PHE 53 CO -0.08 -0.66 0.70 -0.51 -1.34 0.00 0.00 175.22 173.33 3duf s ASP 54 N -2.95 6.23 0.21 1.98 1.01 -1.26 -3.13 116.67 118.76 3duf s ASP 54 Ca 0.15 0.72 0.02 0.00 0.71 0.00 0.00 52.55 54.15 3duf s ASP 54 Cb 0.04 -2.12 -0.05 0.00 1.01 0.00 0.00 42.92 41.80 3duf s ASP 54 CO -0.02 -0.50 0.04 0.42 0.21 0.00 0.00 175.17 175.31 3duf s THR 55 N -2.59 0.66 0.78 -1.27 -4.23 -1.00 -4.83 115.64 103.17 3duf s THR 55 Ca 0.45 -1.99 -0.13 0.00 -1.18 0.00 0.00 61.69 58.84 3duf s THR 55 Cb -0.10 -2.33 0.07 0.00 1.34 0.00 0.00 72.50 71.48 3duf s THR 55 CO 0.41 -0.29 1.18 -2.84 -0.54 0.00 0.00 174.62 172.54 3duf s PRO 56 N -3.95 1.87 -0.87 3.99 0.02 -1.26 -4.67 135.00 130.12 3duf s PRO 56 Ca 0.29 1.64 -0.25 0.00 0.02 0.00 0.00 61.00 62.70 3duf s PRO 56 Cb 0.07 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.76 3duf s PRO 56 CO 0.08 -2.01 1.75 -1.17 -0.33 0.00 0.00 177.00 175.32 3duf s LEU 57 N -5.60 3.27 -0.30 -5.54 0.20 -1.26 -4.82 118.68 104.63 3duf s LEU 57 Ca 0.71 -0.68 -0.08 0.00 0.69 0.00 0.00 54.13 54.77 3duf s LEU 57 Cb -0.26 -2.56 0.19 0.00 -0.43 0.00 0.00 46.19 43.13 3duf s LEU 57 CO 0.49 -2.30 0.97 0.00 -0.29 0.00 0.00 176.35 175.22 3duf s ALA 58 N 8.29 -3.79 0.14 5.97 0.00 -1.26 -5.06 121.76 126.05 3duf s ALA 58 Ca 0.61 1.29 -0.20 0.00 0.00 0.00 0.00 51.96 53.65 3duf s ALA 58 Cb -0.06 -2.80 0.02 0.00 0.00 0.00 0.00 23.12 20.28 3duf s ALA 58 CO 0.02 -2.09 1.67 0.93 0.00 0.00 0.00 175.76 176.29 3duf h GLU 59 N 7.24 -0.09 -0.99 0.00 3.07 -1.90 0.06 114.58 121.95 3duf h GLU 59 Ca -0.07 0.01 0.22 0.00 -0.50 0.00 0.00 59.36 59.02 3duf h GLU 59 Cb 1.18 0.02 -0.12 0.00 -0.84 0.00 0.00 28.75 28.99 3duf h GLU 59 CO -0.05 -0.06 0.59 1.03 -1.40 0.00 0.00 179.01 179.11 3duf h SER 60 N -0.10 0.69 -0.32 1.42 0.87 -1.93 0.10 113.55 114.28 3duf h SER 60 Ca 0.13 0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 3duf h SER 60 Cb 0.29 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 3duf h SER 60 CO -0.30 0.15 -0.28 1.23 -0.53 0.00 0.00 176.83 177.10 3duf h GLY 61 N 0.63 0.82 1.22 5.77 0.00 -1.42 -2.34 103.07 107.75 3duf h GLY 61 Ca 0.62 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3duf h GLY 61 CO -0.45 0.74 0.34 -2.22 0.00 0.00 0.00 176.54 174.96 3duf h ILE 62 N 0.52 1.23 -0.20 2.60 2.04 0.83 -0.73 117.51 123.81 3duf h ILE 62 Ca 0.06 -0.64 -0.14 0.00 1.00 0.00 0.00 64.86 65.14 3duf h ILE 62 Cb 0.85 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3duf h ILE 62 CO 0.07 0.27 -0.47 1.23 0.00 0.00 0.00 178.15 179.25 3duf h GLY 63 N 1.07 0.55 2.00 5.37 0.00 -1.02 -1.99 103.07 109.05 3duf h GLY 63 Ca 0.25 -0.58 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 3duf h GLY 63 CO -0.03 0.53 -0.39 -1.33 0.00 0.00 0.00 176.54 175.32 3duf h GLY 64 N 1.11 0.00 1.33 4.60 0.00 -1.01 -2.84 103.07 106.26 3duf h GLY 64 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.13 3duf h GLY 64 CO 0.09 0.00 -0.84 -2.00 0.00 0.00 0.00 176.54 173.79 3duf h LEU 65 N 0.00 0.78 -0.51 3.11 5.85 -0.94 -2.98 115.31 120.62 3duf h LEU 65 Ca -0.00 -0.55 -0.07 0.00 0.84 0.00 0.00 57.88 58.10 3duf h LEU 65 Cb 1.08 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3duf h LEU 65 CO 0.05 1.33 0.06 0.00 -0.34 0.00 0.00 178.44 179.54 3duf h ALA 66 N 0.64 0.68 0.02 1.25 0.00 -1.27 -2.09 119.26 118.49 3duf h ALA 66 Ca -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 3duf h ALA 66 Cb 1.46 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3duf h ALA 66 CO 0.16 0.43 -0.01 0.82 0.00 0.00 0.00 179.25 180.66 3duf h ILE 67 N 0.73 1.03 -0.58 0.00 2.04 -1.56 -2.35 117.51 116.82 3duf h ILE 67 Ca 0.15 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3duf h ILE 67 Cb 0.43 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 3duf h ILE 67 CO 0.01 0.04 0.32 1.23 0.00 0.00 0.00 178.15 179.75 3duf h GLY 68 N -0.10 0.83 1.17 5.37 0.00 -1.45 -2.19 103.07 106.71 3duf h GLY 68 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3duf h GLY 68 CO 0.00 0.15 0.47 1.41 0.00 0.00 0.00 176.54 178.57 3duf h LEU 69 N 0.61 0.97 -1.01 3.11 3.38 -1.30 -1.91 115.31 119.15 3duf h LEU 69 Ca 0.25 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 3duf h LEU 69 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3duf h LEU 69 CO -0.15 0.76 0.23 0.00 0.09 0.00 0.00 178.44 179.37 3duf h ALA 70 N 1.41 1.21 0.00 1.53 0.00 -0.85 -0.97 119.26 121.59 3duf h ALA 70 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3duf h ALA 70 Cb -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3duf h ALA 70 CO -0.05 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 3duf h LEU 71 N 0.92 0.00 -3.82 0.00 3.38 -0.85 -0.70 115.31 114.24 3duf h LEU 71 Ca 0.21 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.79 3duf h LEU 71 Cb 0.21 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.72 3duf h LEU 71 CO -0.02 0.00 0.44 0.00 0.09 0.00 0.00 178.44 178.95 3duf n GLN 72 N -3.08 2.41 -0.92 1.13 1.13 -0.42 -4.94 117.38 112.70 3duf n GLN 72 Ca -0.01 -3.06 0.00 0.00 -1.94 0.00 0.00 57.00 51.99 3duf n GLN 72 Cb 0.20 -2.11 0.00 0.00 0.11 0.00 0.00 30.24 28.44 3duf n GLN 72 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3duf n GLY 73 N -0.98 0.73 3.91 1.08 0.00 -0.27 -5.03 105.19 104.63 3duf n GLY 73 Ca 0.51 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 3duf n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3duf s PHE 74 N -3.13 3.15 -0.63 1.61 0.08 -0.86 -4.95 117.98 113.25 3duf s PHE 74 Ca 0.00 0.76 0.05 0.00 0.12 0.00 0.00 56.93 57.85 3duf s PHE 74 Cb 0.00 -3.10 0.16 0.00 -0.57 0.00 0.00 43.02 39.51 3duf s PHE 74 CO 0.00 -1.26 0.41 0.50 -0.10 0.00 0.00 175.22 174.78 3duf s ARG 75 N -5.28 2.22 0.51 0.44 3.52 -0.43 -4.26 118.95 115.67 3duf s ARG 75 Ca 0.58 -3.05 -0.22 0.00 -0.13 0.00 0.00 55.73 52.91 3duf s ARG 75 Cb -0.11 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 29.95 3duf s ARG 75 CO 0.48 -1.24 1.29 -2.14 -0.81 0.00 0.00 175.30 172.89 3duf s PRO 76 N -1.00 3.36 -0.38 5.12 0.02 -1.24 -2.96 135.00 137.91 3duf s PRO 76 Ca 0.23 2.08 0.10 0.00 0.02 0.00 0.00 61.00 63.43 3duf s PRO 76 Cb -0.11 -2.32 0.30 0.00 0.02 0.00 0.00 34.50 32.39 3duf s PRO 76 CO -0.11 -0.97 0.63 0.28 -0.33 0.00 0.00 177.00 176.50 3duf n VAL 77 N -0.83 -0.44 -1.07 3.83 0.31 -0.63 -1.88 118.33 117.62 3duf n VAL 77 Ca 0.09 -4.16 -0.30 0.00 -0.01 0.00 0.00 64.34 59.97 3duf n VAL 77 Cb 0.46 -1.06 0.16 0.00 -0.91 0.00 0.00 33.84 32.48 3duf n VAL 77 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3duf s PRO 78 N -1.66 0.87 -0.02 5.55 0.04 -1.17 -3.53 135.00 135.09 3duf s PRO 78 Ca 0.37 0.86 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3duf s PRO 78 Cb 0.25 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 33.04 3duf s PRO 78 CO -0.10 -2.52 -0.04 -2.00 0.04 0.00 0.00 177.00 172.38 3duf s GLU 79 N -4.85 0.58 -0.24 4.56 2.12 -0.46 -2.11 118.70 118.31 3duf s GLU 79 Ca 0.65 -0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.76 3duf s GLU 79 Cb -0.19 -0.60 -0.04 0.00 0.26 0.00 0.00 34.13 33.56 3duf s GLU 79 CO 0.58 0.01 0.11 0.42 -0.54 0.00 0.00 175.26 175.84 3duf s ILE 80 N 0.42 4.80 0.34 -3.70 1.01 -0.95 -4.43 121.20 118.70 3duf s ILE 80 Ca -0.05 -0.01 0.12 0.00 0.00 0.00 0.00 60.65 60.71 3duf s ILE 80 Cb -0.09 -3.24 0.34 0.00 0.01 0.00 0.00 42.46 39.48 3duf s ILE 80 CO -0.00 0.34 1.76 -0.61 0.00 0.00 0.00 174.94 176.43 3duf h GLN 81 N 7.83 0.54 -3.13 2.79 4.15 -1.91 -3.41 115.11 121.97 3duf h GLN 81 Ca -0.37 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 58.88 3duf h GLN 81 Cb 1.18 -0.12 -0.22 0.00 0.21 0.00 0.00 27.48 28.52 3duf h GLN 81 CO 0.61 0.36 -0.35 -0.06 -1.93 0.00 0.00 178.83 177.45 3duf s PHE 82 N -5.69 -0.19 -0.35 3.99 0.08 -1.26 -4.52 117.98 110.04 3duf s PHE 82 Ca -0.10 0.37 0.27 0.00 0.12 0.00 0.00 56.93 57.59 3duf s PHE 82 Cb 0.26 0.07 1.01 0.00 -0.57 0.00 0.00 43.02 43.79 3duf s PHE 82 CO 0.80 -0.28 1.79 0.35 -0.10 0.00 0.00 175.22 177.77 3duf h PHE 83 N 4.60 0.00 0.00 0.36 3.57 -1.68 -2.30 116.94 121.49 3duf h PHE 83 Ca -0.29 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.20 3duf h PHE 83 Cb 1.18 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3duf h PHE 83 CO 0.49 0.00 -0.05 0.78 -2.23 0.00 0.00 178.31 177.31 3duf h GLY 84 N 2.70 0.00 -0.77 2.40 0.00 -1.78 -1.13 103.07 104.49 3duf h GLY 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3duf h GLY 84 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 3duf n PHE 85 N -3.89 0.28 0.38 5.60 3.72 -0.86 -4.11 117.46 118.57 3duf n PHE 85 Ca -0.03 -0.14 0.12 0.00 -0.05 0.00 0.00 57.45 57.35 3duf n PHE 85 Cb 0.14 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.18 3duf n PHE 85 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 176.76 178.26 3duf n VAL 86 N 0.14 0.84 0.26 -4.37 3.14 -0.43 -2.79 118.33 115.12 3duf n VAL 86 Ca 0.09 0.27 0.11 0.00 -2.96 0.00 0.00 64.34 61.85 3duf n VAL 86 Cb 0.20 -1.21 0.71 0.00 -1.06 0.00 0.00 33.84 32.48 3duf n VAL 86 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 3duf h TYR 87 N 0.00 0.00 0.00 1.45 0.05 -1.82 -1.86 116.97 114.79 3duf h TYR 87 Ca 0.00 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 3duf h TYR 87 Cb 0.34 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 3duf h TYR 87 CO 0.00 0.11 -0.44 0.93 -1.05 0.00 0.00 178.16 177.71 3duf h GLU 88 N 0.00 0.00 -0.33 4.88 3.07 -1.87 -3.26 114.58 117.08 3duf h GLU 88 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3duf h GLU 88 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3duf h GLU 88 CO 0.01 0.44 0.00 1.55 -1.40 0.00 0.00 179.01 179.61 3duf n VAL 89 N -3.41 1.19 -0.27 3.13 3.14 -0.89 -3.84 118.33 117.38 3duf n VAL 89 Ca 0.01 -1.13 0.08 0.00 -2.96 0.00 0.00 64.34 60.34 3duf n VAL 89 Cb 0.60 0.39 0.22 0.00 -1.06 0.00 0.00 33.84 33.99 3duf n VAL 89 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 3duf h MET 90 N 1.97 0.31 -0.43 1.45 2.86 -1.40 -1.98 114.93 117.73 3duf h MET 90 Ca 0.00 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 3duf h MET 90 Cb 0.83 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 3duf h MET 90 CO 0.03 0.21 -0.18 0.22 1.06 0.00 0.00 176.91 178.25 3duf h ASP 91 N 0.32 0.83 0.23 1.22 3.58 -1.87 -0.48 116.42 120.25 3duf h ASP 91 Ca 0.46 -0.28 -0.13 0.00 0.42 0.00 0.00 57.03 57.50 3duf h ASP 91 Cb 0.82 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.63 3duf h ASP 91 CO -0.52 1.00 -0.51 0.28 -2.88 0.00 0.00 179.24 176.62 3duf h SER 92 N 0.73 0.34 0.02 2.28 0.02 -1.75 0.25 113.55 115.44 3duf h SER 92 Ca 0.11 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3duf h SER 92 Cb 0.69 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3duf h SER 92 CO 0.05 0.79 -0.01 0.40 -1.14 0.00 0.00 176.83 176.93 3duf h ILE 93 N 0.25 0.99 0.04 3.27 2.04 -1.29 -1.48 117.51 121.34 3duf h ILE 93 Ca 0.01 -1.68 -0.33 0.00 1.00 0.00 0.00 64.86 63.85 3duf h ILE 93 Cb 0.98 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.86 3duf h ILE 93 CO 0.08 0.33 -1.95 0.00 0.00 0.00 0.00 178.15 176.61 3duf n GLY 95 N 1.78 -1.41 0.00 0.00 0.00 -0.06 -4.60 105.19 100.90 3duf n GLY 95 Ca -0.26 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3duf n GLY 95 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3duf n GLN 96 N -1.87 0.00 -0.09 1.61 1.13 -0.42 -4.78 117.38 112.97 3duf n GLN 96 Ca 0.05 0.00 0.19 0.00 -1.94 0.00 0.00 57.00 55.30 3duf n GLN 96 Cb 0.39 0.00 0.62 0.00 0.11 0.00 0.00 30.24 31.37 3duf n GLN 96 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3duf h MET 97 N 0.00 0.16 0.00 -1.09 -0.00 -1.38 0.92 114.93 113.54 3duf h MET 97 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 3duf h MET 97 Cb 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 31.56 3duf h MET 97 CO 0.00 0.10 -0.05 0.00 -0.00 0.00 0.00 176.91 176.96 3duf h ALA 98 N 1.68 1.00 -0.10 -3.00 0.00 -1.75 -3.22 119.26 113.87 3duf h ALA 98 Ca 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3duf h ALA 98 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3duf h ALA 98 CO -0.05 0.06 0.00 0.54 0.00 0.00 0.00 179.25 179.80 3duf n ARG 99 N -3.15 1.20 -0.11 0.00 1.74 0.26 -4.50 116.66 112.09 3duf n ARG 99 Ca 0.01 -1.42 -0.09 0.00 -0.77 0.00 0.00 57.85 55.58 3duf n ARG 99 Cb 0.36 -1.24 -0.02 0.00 -1.02 0.00 0.00 32.46 30.55 3duf n ARG 99 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3duf h ILE 100 N 2.25 1.16 -0.03 0.55 1.08 -1.42 0.14 117.51 121.23 3duf h ILE 100 Ca 0.00 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 64.02 3duf h ILE 100 Cb 0.55 0.83 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 3duf h ILE 100 CO 0.00 0.17 0.02 -0.09 -0.69 0.00 0.00 178.15 177.56 3duf h ARG 101 N 0.42 0.05 -0.05 2.37 2.43 -1.83 -1.00 114.38 116.77 3duf h ARG 101 Ca 0.12 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3duf h ARG 101 Cb 0.11 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3duf h ARG 101 CO -0.02 0.11 0.03 -0.92 -1.51 0.00 0.00 179.97 177.67 3duf h TYR 102 N -0.03 0.06 -0.96 2.20 5.03 -1.86 0.34 116.97 121.75 3duf h TYR 102 Ca 0.01 0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.44 3duf h TYR 102 Cb 0.08 -0.02 -0.08 0.00 1.55 0.00 0.00 36.73 38.26 3duf h TYR 102 CO -0.05 0.06 0.59 -0.09 -1.32 0.00 0.00 178.16 177.35 3duf h ARG 103 N 0.05 0.92 -0.64 1.82 2.43 -0.60 -1.54 114.38 116.81 3duf h ARG 103 Ca 0.02 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.09 3duf h ARG 103 Cb 0.01 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.33 3duf h ARG 103 CO -0.00 0.61 0.05 0.25 -1.51 0.00 0.00 179.97 179.36 3duf n THR 104 N -4.65 2.61 -4.01 0.20 -2.24 -0.39 -4.94 114.28 100.86 3duf n THR 104 Ca 0.18 -1.34 -0.33 0.00 -2.27 0.00 0.00 64.05 60.29 3duf n THR 104 Cb 0.34 -0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 3duf n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3duf n GLY 105 N 0.45 -0.46 2.05 3.38 0.00 -0.58 -0.89 105.19 109.14 3duf n GLY 105 Ca 0.28 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3duf n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 106 N -1.32 0.81 0.22 -0.02 0.00 0.11 -4.94 105.19 100.05 3duf n GLY 106 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 3duf n GLY 106 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3duf h ARG 107 N 3.10 0.73 -6.10 1.61 9.65 -1.24 -3.45 114.38 118.68 3duf h ARG 107 Ca 0.00 -0.46 -0.60 0.00 -1.10 0.00 0.00 59.98 57.81 3duf h ARG 107 Cb 0.00 0.05 -0.13 0.00 -1.39 0.00 0.00 29.97 28.51 3duf h ARG 107 CO 0.00 1.09 -0.70 0.71 2.80 0.00 0.00 179.97 183.86 3duf s TYR 108 N -4.10 2.40 0.16 2.20 2.02 -1.26 -5.14 117.35 113.63 3duf s TYR 108 Ca -0.12 -0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.06 3duf s TYR 108 Cb 0.08 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.46 3duf s TYR 108 CO 0.86 0.64 0.40 -3.38 -1.57 0.00 0.00 175.55 172.49 3duf s HIS 109 N -2.52 0.05 -0.66 2.71 -3.43 -1.26 -3.90 115.29 106.27 3duf s HIS 109 Ca 0.32 -0.40 0.03 0.00 -0.80 0.00 0.00 55.06 54.20 3duf s HIS 109 Cb -0.02 0.19 0.16 0.00 -1.43 0.00 0.00 32.58 31.48 3duf s HIS 109 CO 0.17 -0.78 0.45 -1.64 -2.00 0.00 0.00 174.74 170.94 3duf s MET 110 N -3.89 2.44 -1.18 -0.38 1.00 -1.25 -4.71 119.30 111.32 3duf s MET 110 Ca 0.10 -3.00 -0.12 0.00 0.00 0.00 0.00 55.69 52.67 3duf s MET 110 Cb 0.01 -3.51 -0.07 0.00 0.00 0.00 0.00 34.83 31.27 3duf s MET 110 CO -0.04 -1.21 2.33 -0.35 0.00 0.00 0.00 175.02 175.74 3duf n PRO 111 N 2.58 2.55 -4.65 2.03 -0.04 -1.24 -2.32 135.00 133.92 3duf n PRO 111 Ca 0.14 -1.95 -0.34 0.00 -0.04 0.00 0.00 63.50 61.31 3duf n PRO 111 Cb 0.35 -2.79 -0.12 0.00 -0.04 0.00 0.00 33.50 30.90 3duf n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3duf s ILE 112 N 3.35 3.62 -0.12 0.52 1.01 -1.26 -3.70 121.20 124.61 3duf s ILE 112 Ca 0.53 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.68 3duf s ILE 112 Cb 0.14 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 40.15 3duf s ILE 112 CO -0.02 0.59 -0.13 -0.89 0.00 0.00 0.00 174.94 174.49 3duf s THR 113 N -0.67 1.38 -0.35 2.92 2.01 -0.79 -1.49 115.64 118.65 3duf s THR 113 Ca 0.10 -0.54 -0.10 0.00 0.31 0.00 0.00 61.69 61.46 3duf s THR 113 Cb -0.11 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.11 3duf s THR 113 CO 0.02 0.42 0.18 -0.63 -0.69 0.00 0.00 174.62 173.92 3duf s ILE 114 N 1.34 4.53 0.12 1.82 1.01 -0.41 -3.01 121.20 126.60 3duf s ILE 114 Ca 0.00 -0.72 -0.23 0.00 0.00 0.00 0.00 60.65 59.70 3duf s ILE 114 Cb -0.14 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.82 3duf s ILE 114 CO -0.06 -0.12 0.71 -0.13 0.00 0.00 0.00 174.94 175.34 3duf s ARG 115 N 1.57 4.45 -0.29 2.79 0.52 -0.90 -1.16 118.95 125.93 3duf s ARG 115 Ca 0.03 1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 56.10 3duf s ARG 115 Cb -0.18 -3.27 0.14 0.00 0.52 0.00 0.00 34.95 32.15 3duf s ARG 115 CO 0.06 0.54 0.92 0.45 0.02 0.00 0.00 175.30 177.29 3duf s SER 116 N -0.94 -0.61 0.36 0.23 0.15 -0.67 -2.24 113.70 109.99 3duf s SER 116 Ca 0.34 0.94 -0.13 0.00 0.70 0.00 0.00 55.95 57.81 3duf s SER 116 Cb -0.22 1.33 -0.08 0.00 -1.71 0.00 0.00 66.02 65.35 3duf s SER 116 CO 0.23 -0.15 0.75 -2.16 1.20 0.00 0.00 173.24 173.12 3duf s PRO 117 N 1.58 3.89 0.21 5.44 0.04 -1.25 -0.87 135.00 144.04 3duf s PRO 117 Ca -0.08 0.57 -0.05 0.00 0.04 0.00 0.00 61.00 61.48 3duf s PRO 117 Cb -0.04 -2.41 0.02 0.00 0.04 0.00 0.00 34.50 32.11 3duf s PRO 117 CO -0.16 0.06 0.37 1.97 0.04 0.00 0.00 177.00 179.28 3duf n PHE 118 N -0.83 -1.45 0.00 0.56 -1.74 -0.23 -2.17 117.46 111.60 3duf n PHE 118 Ca 0.03 -1.13 0.00 0.00 -0.56 0.00 0.00 57.45 55.79 3duf n PHE 118 Cb 0.54 0.43 0.00 0.00 1.52 0.00 0.00 39.48 41.96 3duf n PHE 118 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3duf n GLY 119 N -0.30 1.10 3.90 4.97 0.00 -0.97 -0.59 105.19 113.29 3duf n GLY 119 Ca -0.03 -1.73 -0.28 0.00 0.00 0.00 0.00 46.02 43.98 3duf n GLY 119 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3duf s GLY 120 N -0.82 2.48 0.00 -0.02 0.00 -1.25 -4.39 107.32 103.32 3duf s GLY 120 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3duf s GLY 120 CO 0.00 -1.99 0.00 0.61 0.00 0.00 0.00 173.10 171.72 3duf n GLY 121 N -1.74 0.98 0.23 0.20 0.00 -1.26 -4.71 105.19 98.89 3duf n GLY 121 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.02 3duf n GLY 121 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3duf n VAL 122 N -0.44 0.94 -3.50 1.61 0.24 -1.26 -5.04 118.33 110.88 3duf n VAL 122 Ca 0.00 -1.11 -0.21 0.00 -2.04 0.00 0.00 64.34 60.98 3duf n VAL 122 Cb 0.00 0.19 0.06 0.00 -1.47 0.00 0.00 33.84 32.62 3duf n VAL 122 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3duf n HIS 123 N -0.69 -2.15 -2.59 6.34 8.25 -1.26 -5.03 115.22 118.08 3duf n HIS 123 Ca 0.07 0.76 -0.23 0.00 -0.26 0.00 0.00 57.72 58.06 3duf n HIS 123 Cb 0.63 -4.14 0.04 0.00 1.12 0.00 0.00 29.99 27.63 3duf n HIS 123 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3duf s THR 124 N -3.48 3.10 1.19 1.59 -4.23 -1.26 -4.95 115.64 107.60 3duf s THR 124 Ca 0.29 -0.42 -0.20 0.00 -1.18 0.00 0.00 61.69 60.17 3duf s THR 124 Cb -0.06 -3.20 0.29 0.00 1.34 0.00 0.00 72.50 70.86 3duf s THR 124 CO 0.79 -0.17 1.17 -2.16 -0.54 0.00 0.00 174.62 173.71 3duf s PRO 125 N -4.85 -1.15 0.42 3.99 0.04 -1.26 -4.49 135.00 127.70 3duf s PRO 125 Ca 0.55 -0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.06 3duf s PRO 125 Cb -0.10 -1.62 -0.10 0.00 0.04 0.00 0.00 34.50 32.71 3duf s PRO 125 CO 0.41 -3.63 1.22 -1.91 0.04 0.00 0.00 177.00 173.13 3duf n GLU 126 N -4.66 1.80 -1.66 4.56 2.13 -1.26 -3.28 120.64 118.28 3duf n GLU 126 Ca 0.15 0.64 -0.18 0.00 0.66 0.00 0.00 57.16 58.43 3duf n GLU 126 Cb 0.60 -2.31 -0.07 0.00 0.27 0.00 0.00 31.44 29.93 3duf n GLU 126 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3duf n LEU 127 N 0.27 -1.41 -0.09 4.31 4.77 -1.26 -4.86 117.00 118.73 3duf n LEU 127 Ca 0.07 0.38 -0.12 0.00 -0.03 0.00 0.00 56.01 56.32 3duf n LEU 127 Cb 0.39 -2.58 -0.10 0.00 -2.33 0.00 0.00 43.42 38.80 3duf n LEU 127 CO 0.59 -0.84 -1.09 1.41 -1.33 0.00 0.00 177.39 176.12 3duf n HIS 128 N -2.71 0.00 1.26 -1.77 8.25 -1.21 -3.86 115.22 115.19 3duf n HIS 128 Ca -0.19 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.40 3duf n HIS 128 Cb 0.61 -0.75 0.35 0.00 1.12 0.00 0.00 29.99 31.32 3duf n HIS 128 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3duf n SER 129 N -2.91 1.45 -4.46 0.41 7.64 -1.26 -4.46 113.62 110.02 3duf n SER 129 Ca -0.31 -1.23 -0.38 0.00 1.01 0.00 0.00 58.87 57.95 3duf n SER 129 Cb 0.91 0.13 0.04 0.00 -1.01 0.00 0.00 64.21 64.28 3duf n SER 129 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3duf n ASP 130 N -0.18 -1.09 -4.13 6.43 9.92 -1.26 -2.29 116.55 123.96 3duf n ASP 130 Ca 0.14 0.74 -0.37 0.00 -0.53 0.00 0.00 54.79 54.76 3duf n ASP 130 Cb 0.39 -1.17 -0.10 0.00 -0.64 0.00 0.00 41.12 39.60 3duf n ASP 130 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3duf s SER 131 N -1.17 5.35 -0.22 -2.24 0.01 -1.26 -3.83 113.70 110.35 3duf s SER 131 Ca 0.69 -2.27 0.14 0.00 1.31 0.00 0.00 55.95 55.81 3duf s SER 131 Cb -0.45 -1.87 0.49 0.00 0.21 0.00 0.00 66.02 64.40 3duf s SER 131 CO 0.54 -0.52 1.40 0.18 0.41 0.00 0.00 173.24 175.26 3duf n LEU 132 N 4.31 3.76 0.01 2.44 4.77 -1.26 -4.69 117.00 126.34 3duf n LEU 132 Ca 0.00 -3.37 0.18 0.00 -0.03 0.00 0.00 56.01 52.79 3duf n LEU 132 Cb 0.40 -0.57 0.66 0.00 -2.33 0.00 0.00 43.42 41.58 3duf n LEU 132 CO 0.35 0.95 1.17 1.05 -1.33 0.00 0.00 177.39 179.58 3duf h GLU 133 N 1.21 0.06 0.00 3.23 9.09 -1.94 -1.96 114.58 124.26 3duf h GLU 133 Ca 0.09 -0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.48 3duf h GLU 133 Cb 1.47 -0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 28.55 3duf h GLU 133 CO 0.26 0.04 -0.08 0.78 0.05 0.00 0.00 179.01 180.05 3duf h GLY 134 N 0.06 0.00 0.38 1.06 0.00 -1.84 -2.10 103.07 100.63 3duf h GLY 134 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3duf h GLY 134 CO -0.02 0.00 -0.08 1.41 0.00 0.00 0.00 176.54 177.86 3duf h LEU 135 N 0.00 -0.18 -1.45 3.11 3.38 -1.68 -3.24 115.31 115.25 3duf h LEU 135 Ca -0.00 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.59 3duf h LEU 135 Cb 0.29 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3duf h LEU 135 CO 0.01 0.37 -0.11 -0.37 0.09 0.00 0.00 178.44 178.42 3duf h VAL 136 N -0.84 0.32 0.00 1.22 -1.51 -1.68 -2.56 116.25 111.19 3duf h VAL 136 Ca -0.02 -0.75 0.00 0.00 -1.23 0.00 0.00 66.70 64.70 3duf h VAL 136 Cb 0.53 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3duf h VAL 136 CO 0.04 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 176.49 3duf h ALA 137 N 1.89 1.00 -0.01 5.19 0.00 -1.42 -2.78 119.26 123.13 3duf h ALA 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3duf h ALA 137 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3duf h ALA 137 CO 0.01 0.00 -0.18 1.04 0.00 0.00 0.00 179.25 180.13 3duf n GLN 138 N -3.06 1.19 -3.28 0.00 6.02 -0.97 -4.80 117.38 112.48 3duf n GLN 138 Ca 0.00 -0.74 -0.43 0.00 -0.01 0.00 0.00 57.00 55.82 3duf n GLN 138 Cb 0.27 -1.48 -0.08 0.00 1.02 0.00 0.00 30.24 29.96 3duf n GLN 138 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 3duf s GLN 139 N -2.32 3.14 0.46 -1.09 2.00 -1.05 -5.05 119.66 115.75 3duf s GLN 139 Ca 0.28 -0.68 -0.24 0.00 -2.00 0.00 0.00 55.36 52.72 3duf s GLN 139 Cb 0.20 -3.96 -0.07 0.00 0.80 0.00 0.00 33.01 29.97 3duf s GLN 139 CO 0.45 -0.88 1.30 -1.25 -0.50 0.00 0.00 175.29 174.42 3duf s PRO 140 N 2.26 3.65 0.00 1.67 0.04 -1.26 -3.12 135.00 138.24 3duf s PRO 140 Ca 0.14 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.30 3duf s PRO 140 Cb -0.16 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3duf s PRO 140 CO 0.15 -0.74 0.00 0.41 0.04 0.00 0.00 177.00 176.85 3duf n GLY 141 N 0.62 0.56 3.45 0.56 0.00 -1.26 -4.75 105.19 104.38 3duf n GLY 141 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3duf n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3duf s LEU 142 N 0.00 2.54 -0.08 0.99 1.43 -1.18 -4.44 118.68 117.94 3duf s LEU 142 Ca 0.00 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.17 3duf s LEU 142 Cb 0.00 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 45.09 3duf s LEU 142 CO 0.00 0.07 -0.13 -0.54 0.23 0.00 0.00 176.35 175.98 3duf s LYS 143 N -3.16 1.89 -0.23 1.70 1.02 -1.13 -4.73 119.74 115.10 3duf s LYS 143 Ca 0.26 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 55.76 3duf s LYS 143 Cb -0.06 -1.57 0.01 0.00 -0.52 0.00 0.00 37.83 35.69 3duf s LYS 143 CO 0.13 0.01 -0.07 0.08 -0.92 0.00 0.00 175.35 174.58 3duf s VAL 144 N 0.75 3.00 -0.09 3.17 1.01 -0.59 -0.63 120.40 127.01 3duf s VAL 144 Ca -0.13 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3duf s VAL 144 Cb -0.16 -2.43 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 3duf s VAL 144 CO 0.03 0.33 -0.13 -0.69 0.00 0.00 0.00 175.10 174.64 3duf s VAL 145 N 1.39 3.15 -0.24 2.92 1.01 -0.17 -1.34 120.40 127.12 3duf s VAL 145 Ca 0.03 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3duf s VAL 145 Cb -0.15 -2.29 0.08 0.00 0.00 0.00 0.00 36.38 34.02 3duf s VAL 145 CO -0.05 0.56 0.08 -0.63 0.00 0.00 0.00 175.10 175.06 3duf s ILE 146 N -0.19 0.29 0.45 2.22 1.01 -0.91 -1.83 121.20 122.25 3duf s ILE 146 Ca 0.00 -0.68 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 3duf s ILE 146 Cb -0.13 -1.04 -0.07 0.00 0.01 0.00 0.00 42.46 41.23 3duf s ILE 146 CO 0.03 -0.45 0.85 -2.16 0.00 0.00 0.00 174.94 173.21 3duf s PRO 147 N 1.94 3.84 0.00 2.79 0.04 -1.26 -4.19 135.00 138.16 3duf s PRO 147 Ca 0.04 0.65 0.00 0.00 0.04 0.00 0.00 61.00 61.73 3duf s PRO 147 Cb -0.17 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.08 3duf s PRO 147 CO -0.19 -0.13 0.28 -1.13 0.04 0.00 0.00 177.00 175.87 3duf n SER 148 N -1.43 0.56 -4.03 6.66 3.41 -1.26 -4.58 113.62 112.96 3duf n SER 148 Ca 0.04 -0.79 -0.08 0.00 -0.26 0.00 0.00 58.87 57.78 3duf n SER 148 Cb 0.54 0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 64.73 3duf n SER 148 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3duf s THR 149 N -0.33 0.19 0.23 6.66 -4.23 -1.26 -4.99 115.64 111.90 3duf s THR 149 Ca 0.00 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 3duf s THR 149 Cb 0.00 -1.31 0.18 0.00 1.34 0.00 0.00 72.50 72.71 3duf s THR 149 CO 0.00 -0.86 1.82 -0.65 -0.54 0.00 0.00 174.62 174.39 3duf h PRO 150 N 3.27 0.75 -0.40 3.99 0.11 -1.89 -0.67 132.00 137.16 3duf h PRO 150 Ca -0.34 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.70 3duf h PRO 150 Cb 1.16 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 3duf h PRO 150 CO 0.61 0.49 0.14 -0.92 -0.21 0.00 0.00 178.00 178.11 3duf h TYR 151 N 0.77 0.63 -0.24 0.65 3.20 -1.92 -2.56 116.97 117.51 3duf h TYR 151 Ca 0.34 -0.06 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 3duf h TYR 151 Cb 0.24 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3duf h TYR 151 CO -0.07 0.58 -0.33 -0.44 -1.64 0.00 0.00 178.16 176.26 3duf h ASP 152 N 0.51 0.52 0.08 -2.11 3.32 -1.90 -3.16 116.42 113.68 3duf h ASP 152 Ca 0.13 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3duf h ASP 152 Cb 0.23 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3duf h ASP 152 CO -0.01 0.82 -0.04 0.00 -1.72 0.00 0.00 179.24 178.29 3duf h ALA 153 N 1.22 -0.11 0.06 3.45 0.00 -0.90 -1.03 119.26 121.94 3duf h ALA 153 Ca 0.05 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3duf h ALA 153 Cb 0.79 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3duf h ALA 153 CO 0.06 -0.53 -0.03 -0.22 0.00 0.00 0.00 179.25 178.53 3duf h LYS 154 N -0.18 -0.08 -0.10 0.00 3.64 -1.49 -1.35 116.57 117.01 3duf h LYS 154 Ca -0.01 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3duf h LYS 154 Cb 0.15 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3duf h LYS 154 CO 0.02 -0.01 -0.24 0.78 -2.27 0.00 0.00 179.45 177.73 3duf h GLY 155 N -0.14 0.18 0.81 5.01 0.00 -1.57 -2.47 103.07 104.91 3duf h GLY 155 Ca -0.01 -0.13 -0.14 0.00 0.00 0.00 0.00 47.33 47.05 3duf h GLY 155 CO 0.01 0.12 -0.54 1.41 0.00 0.00 0.00 176.54 177.55 3duf h LEU 156 N 0.16 0.55 -0.88 3.11 3.38 -1.06 -2.71 115.31 117.86 3duf h LEU 156 Ca 0.03 -0.70 0.03 0.00 0.09 0.00 0.00 57.88 57.32 3duf h LEU 156 Cb 0.52 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3duf h LEU 156 CO 0.04 1.17 0.57 0.25 0.09 0.00 0.00 178.44 180.56 3duf h LEU 157 N -0.02 0.96 -0.56 1.67 5.85 -1.14 0.44 115.31 122.50 3duf h LEU 157 Ca -0.05 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3duf h LEU 157 Cb 1.22 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.00 3duf h LEU 157 CO 0.11 0.67 0.24 0.40 -0.34 0.00 0.00 178.44 179.52 3duf h ILE 158 N 1.12 1.22 -0.58 4.05 2.04 -1.48 0.35 117.51 124.23 3duf h ILE 158 Ca 0.35 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3duf h ILE 158 Cb -0.02 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3duf h ILE 158 CO -0.11 0.25 0.14 0.28 0.00 0.00 0.00 178.15 178.71 3duf h SER 159 N 0.76 0.89 0.74 1.72 0.02 -1.05 -0.69 113.55 115.94 3duf h SER 159 Ca 0.19 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3duf h SER 159 Cb 0.17 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3duf h SER 159 CO -0.02 0.89 -0.45 0.00 -1.14 0.00 0.00 176.83 176.11 3duf h ALA 160 N 1.03 -1.25 -0.90 3.77 0.00 0.48 0.10 119.26 122.48 3duf h ALA 160 Ca 0.18 -0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.05 3duf h ALA 160 Cb 0.35 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.64 3duf h ALA 160 CO 0.00 -1.21 0.59 0.82 0.00 0.00 0.00 179.25 179.46 3duf h ILE 161 N -1.11 0.70 0.00 0.00 2.04 -0.25 -0.25 117.51 118.64 3duf h ILE 161 Ca -0.10 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 3duf h ILE 161 Cb 0.89 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3duf h ILE 161 CO 0.10 0.09 -0.36 0.03 0.00 0.00 0.00 178.15 178.01 3duf h ARG 162 N 0.47 0.00 -6.78 2.37 3.08 -0.64 -3.46 114.38 109.42 3duf h ARG 162 Ca 0.47 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.96 3duf h ARG 162 Cb 1.08 0.00 0.11 0.00 0.08 0.00 0.00 29.97 31.24 3duf h ARG 162 CO -0.20 0.36 0.53 -3.47 -1.07 0.00 0.00 179.97 176.13 3duf n ASP 163 N -3.28 2.85 -0.73 7.04 -0.08 0.31 -4.89 116.55 117.77 3duf n ASP 163 Ca 0.02 1.20 0.06 0.00 -1.51 0.00 0.00 54.79 54.55 3duf n ASP 163 Cb 0.61 -1.50 0.17 0.00 2.34 0.00 0.00 41.12 42.74 3duf n ASP 163 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3duf n ASN 164 N 0.67 2.12 -4.37 1.67 3.02 -1.26 -4.62 115.26 112.49 3duf n ASN 164 Ca 0.04 -2.04 -0.19 0.00 -0.03 0.00 0.00 54.58 52.36 3duf n ASN 164 Cb 0.37 -0.28 -0.10 0.00 -0.61 0.00 0.00 39.78 39.16 3duf n ASN 164 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3duf s ASP 165 N -0.95 2.59 0.40 6.41 1.01 -1.25 -3.66 116.67 121.22 3duf s ASP 165 Ca 0.25 -1.07 -0.27 0.00 0.71 0.00 0.00 52.55 52.17 3duf s ASP 165 Cb 0.14 -0.14 -0.10 0.00 1.01 0.00 0.00 42.92 43.82 3duf s ASP 165 CO 0.16 -0.23 1.45 -2.65 0.21 0.00 0.00 175.17 174.11 3duf n PRO 166 N -0.43 2.49 -3.81 8.23 -0.02 -0.98 -4.31 135.00 136.16 3duf n PRO 166 Ca -0.07 0.88 -0.14 0.00 -2.02 0.00 0.00 63.50 62.15 3duf n PRO 166 Cb 0.61 -2.62 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 3duf n PRO 166 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3duf s VAL 167 N -1.14 -0.03 -0.29 -1.45 1.01 -0.56 -2.85 120.40 115.09 3duf s VAL 167 Ca 0.56 0.12 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 3duf s VAL 167 Cb -0.48 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 3duf s VAL 167 CO 0.62 0.05 0.13 -0.63 0.00 0.00 0.00 175.10 175.27 3duf s ILE 168 N 0.62 4.58 -0.44 2.22 1.01 0.20 -1.28 121.20 128.11 3duf s ILE 168 Ca -0.05 -0.29 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 3duf s ILE 168 Cb -0.07 -3.27 0.09 0.00 0.01 0.00 0.00 42.46 39.22 3duf s ILE 168 CO -0.02 0.16 0.29 0.12 0.00 0.00 0.00 174.94 175.50 3duf s PHE 169 N 1.63 3.37 -0.18 3.97 5.36 -0.31 -1.00 117.98 130.81 3duf s PHE 169 Ca 0.05 -1.63 -0.15 0.00 -0.96 0.00 0.00 56.93 54.24 3duf s PHE 169 Cb -0.16 -3.15 -0.04 0.00 -0.34 0.00 0.00 43.02 39.32 3duf s PHE 169 CO 0.06 -0.90 0.34 -0.51 -1.46 0.00 0.00 175.22 172.75 3duf s LEU 170 N 1.41 4.20 -0.21 6.12 1.43 -0.76 -1.66 118.68 129.20 3duf s LEU 170 Ca 0.04 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3duf s LEU 170 Cb -0.24 -2.44 -0.00 0.00 0.03 0.00 0.00 46.19 43.54 3duf s LEU 170 CO 0.01 0.01 -0.08 -1.61 0.23 0.00 0.00 176.35 174.92 3duf s GLU 171 N 0.89 3.29 -0.16 1.70 2.02 -0.05 -4.05 118.70 122.35 3duf s GLU 171 Ca 0.18 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 3duf s GLU 171 Cb -0.14 -2.90 -0.02 0.00 0.10 0.00 0.00 34.13 31.17 3duf s GLU 171 CO 0.06 -0.19 1.28 -1.58 0.02 0.00 0.00 175.26 174.85 3duf s HIS 172 N 1.40 2.81 0.31 1.61 2.46 -1.26 -1.07 115.29 121.55 3duf s HIS 172 Ca 0.05 0.97 0.06 0.00 0.47 0.00 0.00 55.06 56.62 3duf s HIS 172 Cb -0.14 -3.52 0.86 0.00 -0.13 0.00 0.00 32.58 29.65 3duf s HIS 172 CO -0.05 -1.79 1.62 -0.07 -2.47 0.00 0.00 174.74 171.98 3duf h LEU 173 N 9.75 0.02 -0.28 8.88 -0.00 -1.13 0.66 115.31 133.20 3duf h LEU 173 Ca -0.27 0.22 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 3duf h LEU 173 Cb 1.11 0.29 0.00 0.00 -0.00 0.00 0.00 40.66 42.06 3duf h LEU 173 CO 0.97 -0.23 0.00 1.17 -0.00 0.00 0.00 178.44 180.35 3duf n LYS 174 N -5.26 0.15 0.00 1.13 4.81 -1.26 -3.07 118.16 114.66 3duf n LYS 174 Ca 0.25 0.28 0.09 0.00 -0.87 0.00 0.00 58.31 58.06 3duf n LYS 174 Cb 0.82 -1.73 0.00 0.00 0.02 0.00 0.00 35.03 34.14 3duf n LYS 174 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3duf n LEU 175 N -2.01 1.77 -0.08 3.14 4.77 0.21 -4.25 117.00 120.55 3duf n LEU 175 Ca 0.04 -0.77 -0.09 0.00 -0.03 0.00 0.00 56.01 55.15 3duf n LEU 175 Cb 0.29 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3duf n LEU 175 CO 0.23 0.33 0.62 1.88 -1.33 0.00 0.00 177.39 179.12 3duf h TYR 176 N 2.03 -0.99 0.00 -1.77 0.05 -1.44 -3.35 116.97 111.51 3duf h TYR 176 Ca 0.00 0.05 -0.14 0.00 0.05 0.00 0.00 58.73 58.69 3duf h TYR 176 Cb 0.61 0.48 -0.30 0.00 1.01 0.00 0.00 36.73 38.53 3duf h TYR 176 CO 0.00 -0.41 -0.88 2.89 -1.05 0.00 0.00 178.16 178.71 3duf n ARG 177 N -5.42 0.00 0.15 4.88 1.85 -1.26 -0.71 116.66 116.15 3duf n ARG 177 Ca -0.01 -1.73 0.02 0.00 -1.00 0.00 0.00 57.85 55.13 3duf n ARG 177 Cb 0.34 -0.06 0.14 0.00 -1.05 0.00 0.00 32.46 31.83 3duf n ARG 177 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3duf h SER 178 N 0.75 0.00 -5.11 2.89 4.64 -1.74 -3.47 113.55 111.50 3duf h SER 178 Ca -0.20 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.05 3duf h SER 178 Cb 1.77 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.73 3duf h SER 178 CO 0.06 0.52 -0.17 0.72 -0.87 0.00 0.00 176.83 177.10 3duf s PHE 179 N -3.23 -0.05 0.12 4.77 -0.71 -1.26 -5.12 117.98 112.50 3duf s PHE 179 Ca 0.02 -0.30 0.06 0.00 -1.04 0.00 0.00 56.93 55.67 3duf s PHE 179 Cb 0.10 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 3duf s PHE 179 CO 0.73 -0.68 -0.03 1.03 -1.34 0.00 0.00 175.22 174.93 3duf s ARG 180 N -3.84 2.37 0.11 1.99 0.52 -1.26 -4.30 118.95 114.55 3duf s ARG 180 Ca 0.05 -0.99 -0.16 0.00 -0.52 0.00 0.00 55.73 54.11 3duf s ARG 180 Cb 0.03 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 33.12 3duf s ARG 180 CO -0.10 0.50 0.40 -1.14 0.02 0.00 0.00 175.30 174.98 3duf s GLN 181 N -2.51 1.04 -0.08 3.54 0.74 -0.55 -4.91 119.66 116.93 3duf s GLN 181 Ca 0.25 -0.67 -0.30 0.00 0.05 0.00 0.00 55.36 54.69 3duf s GLN 181 Cb -0.11 0.46 -0.04 0.00 1.10 0.00 0.00 33.01 34.42 3duf s GLN 181 CO 0.17 -0.40 1.42 -2.00 -0.55 0.00 0.00 175.29 173.93 3duf s GLU 182 N -3.64 4.24 -0.14 1.67 2.56 -1.26 -0.80 118.70 121.33 3duf s GLU 182 Ca 0.02 1.90 -0.02 0.00 0.00 0.00 0.00 54.97 56.88 3duf s GLU 182 Cb 0.02 -3.77 0.04 0.00 2.00 0.00 0.00 34.13 32.41 3duf s GLU 182 CO -0.11 -0.70 -0.00 0.08 -0.56 0.00 0.00 175.26 173.97 3duf s VAL 183 N 3.32 0.61 0.39 3.70 1.01 0.63 -4.69 120.40 125.37 3duf s VAL 183 Ca 0.63 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 3duf s VAL 183 Cb -0.28 -0.89 -0.09 0.00 0.00 0.00 0.00 36.38 35.12 3duf s VAL 183 CO 0.23 0.08 1.34 -2.16 0.00 0.00 0.00 175.10 174.58 3duf s PRO 184 N 1.85 4.04 0.54 2.72 0.04 -1.26 -4.77 135.00 138.15 3duf s PRO 184 Ca 0.02 2.25 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 3duf s PRO 184 Cb -0.15 -2.84 -0.07 0.00 0.04 0.00 0.00 34.50 31.49 3duf s PRO 184 CO -0.07 -0.47 0.98 -1.21 0.04 0.00 0.00 177.00 176.27 3duf s GLU 185 N -2.15 3.84 0.00 4.56 0.41 -1.26 -4.91 118.70 119.19 3duf s GLU 185 Ca 0.55 0.86 0.00 0.00 -0.41 0.00 0.00 54.97 55.97 3duf s GLU 185 Cb -0.40 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 29.81 3duf s GLU 185 CO 0.52 -0.34 0.00 0.41 -0.49 0.00 0.00 175.26 175.37 3duf n GLY 186 N -1.89 1.30 3.79 -1.39 0.00 -1.26 -4.99 105.19 100.75 3duf n GLY 186 Ca 0.06 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 3duf n GLY 186 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3duf s GLU 187 N -1.95 4.53 -0.08 1.61 4.04 -1.26 -5.05 118.70 120.54 3duf s GLU 187 Ca 0.00 1.26 -0.31 0.00 0.04 0.00 0.00 54.97 55.96 3duf s GLU 187 Cb 0.00 -2.79 0.09 0.00 0.02 0.00 0.00 34.13 31.45 3duf s GLU 187 CO 0.00 0.29 0.79 1.52 -1.84 0.00 0.00 175.26 176.01 3duf s TYR 188 N -1.62 -0.56 0.13 4.83 -0.85 -1.26 -5.18 117.35 112.83 3duf s TYR 188 Ca 0.50 0.95 0.06 0.00 -0.52 0.00 0.00 57.07 58.06 3duf s TYR 188 Cb -0.18 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.55 3duf s TYR 188 CO 0.23 -0.52 -0.13 0.95 -1.52 0.00 0.00 175.55 174.56 3duf s THR 189 N -1.19 1.31 -0.10 -3.49 -4.23 -1.26 -4.44 115.64 102.24 3duf s THR 189 Ca -0.08 -1.80 0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3duf s THR 189 Cb -0.00 -1.60 0.02 0.00 1.34 0.00 0.00 72.50 72.26 3duf s THR 189 CO 0.07 -0.49 -0.11 -0.63 -0.54 0.00 0.00 174.62 172.92 3duf s ILE 190 N -2.38 1.19 0.31 2.99 1.01 -1.09 -5.00 121.20 118.23 3duf s ILE 190 Ca 0.11 -0.45 -0.28 0.00 0.00 0.00 0.00 60.65 60.04 3duf s ILE 190 Cb -0.03 -1.13 -0.13 0.00 0.01 0.00 0.00 42.46 41.17 3duf s ILE 190 CO 0.03 0.38 1.04 -2.65 0.00 0.00 0.00 174.94 173.74 3duf n PRO 191 N 4.39 1.45 -3.13 2.79 -0.02 -1.26 -4.59 135.00 134.63 3duf n PRO 191 Ca -0.18 0.51 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 3duf n PRO 191 Cb 0.51 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 3duf n PRO 191 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3duf s ILE 192 N -1.09 4.86 0.00 4.25 1.01 -1.26 -3.83 121.20 125.14 3duf s ILE 192 Ca 0.59 1.37 0.00 0.00 0.00 0.00 0.00 60.65 62.60 3duf s ILE 192 Cb -0.67 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 37.81 3duf s ILE 192 CO 0.60 0.39 0.00 0.61 0.00 0.00 0.00 174.94 176.54 3duf n GLY 193 N 2.46 1.11 2.84 6.18 0.00 -1.26 -5.01 105.19 111.51 3duf n GLY 193 Ca -0.05 -0.46 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 3duf n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3duf s LYS 194 N -2.61 0.61 0.26 1.61 2.47 -1.25 -4.39 119.74 116.44 3duf s LYS 194 Ca 0.00 0.01 0.05 0.00 -1.56 0.00 0.00 55.97 54.47 3duf s LYS 194 Cb 0.00 -0.76 -0.03 0.00 -1.46 0.00 0.00 37.83 35.59 3duf s LYS 194 CO 0.00 -0.15 0.37 0.00 0.16 0.00 0.00 175.35 175.73 3duf s ALA 195 N 1.21 3.98 0.02 3.13 0.00 -1.24 -4.53 121.76 124.32 3duf s ALA 195 Ca -0.07 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.62 3duf s ALA 195 Cb -0.14 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.29 3duf s ALA 195 CO -0.02 0.18 -0.08 0.16 0.00 0.00 0.00 175.76 176.00 3duf s ASP 196 N -4.02 0.91 -0.12 0.00 -4.77 -0.76 -5.00 116.67 102.92 3duf s ASP 196 Ca 0.36 -0.29 -0.29 0.00 -3.30 0.00 0.00 52.55 49.03 3duf s ASP 196 Cb -0.09 -0.05 -0.03 0.00 -1.09 0.00 0.00 42.92 41.66 3duf s ASP 196 CO 0.29 -0.01 1.34 -0.63 0.70 0.00 0.00 175.17 176.86 3duf s ILE 197 N -0.61 4.09 -0.15 2.11 -1.09 -1.26 -2.05 121.20 122.24 3duf s ILE 197 Ca -0.01 1.35 0.20 0.00 -2.23 0.00 0.00 60.65 59.96 3duf s ILE 197 Cb -0.05 -3.87 -0.13 0.00 -1.58 0.00 0.00 42.46 36.82 3duf s ILE 197 CO 0.00 -0.09 0.78 1.17 -1.23 0.00 0.00 174.94 175.57 3duf n LYS 198 N 6.42 0.63 -3.65 2.79 3.00 0.18 -4.88 118.16 122.64 3duf n LYS 198 Ca 0.14 0.09 -0.07 0.00 -0.00 0.00 0.00 58.31 58.47 3duf n LYS 198 Cb 0.44 -1.74 -0.08 0.00 0.00 0.00 0.00 35.03 33.66 3duf n LYS 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3duf s ARG 199 N -3.17 0.61 0.01 1.64 3.52 -1.15 -4.96 118.95 115.45 3duf s ARG 199 Ca -0.04 1.15 -0.28 0.00 -0.13 0.00 0.00 55.73 56.43 3duf s ARG 199 Cb 0.10 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 3duf s ARG 199 CO 0.82 -0.16 0.90 -2.00 -0.81 0.00 0.00 175.30 174.06 3duf s GLU 200 N 1.77 4.55 0.32 5.12 -6.30 -1.26 -1.45 118.70 121.45 3duf s GLU 200 Ca -0.09 1.29 0.03 0.00 -2.50 0.00 0.00 54.97 53.70 3duf s GLU 200 Cb -0.07 -3.44 -0.04 0.00 0.00 0.00 0.00 34.13 30.58 3duf s GLU 200 CO -0.18 0.03 0.14 0.20 0.02 0.00 0.00 175.26 175.47 3duf s GLY 201 N 0.75 2.15 0.00 -1.50 0.00 -1.24 -4.69 107.32 102.79 3duf s GLY 201 Ca 0.47 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.50 3duf s GLY 201 CO 0.26 -1.66 0.00 1.17 0.00 0.00 0.00 173.10 172.87 3duf n LYS 202 N -0.65 2.62 -0.07 2.90 3.00 -1.10 -4.66 118.16 120.20 3duf n LYS 202 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.09 3duf n LYS 202 Cb 0.65 -0.73 -0.12 0.00 0.00 0.00 0.00 35.03 34.83 3duf n LYS 202 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3duf h ASP 203 N 0.00 0.13 -5.01 3.14 3.32 -0.97 -3.40 116.42 113.63 3duf h ASP 203 Ca 0.00 -0.64 -0.15 0.00 0.02 0.00 0.00 57.03 56.26 3duf h ASP 203 Cb 0.20 -0.04 -0.20 0.00 0.22 0.00 0.00 39.33 39.51 3duf h ASP 203 CO 0.00 1.58 -0.58 -0.51 -1.72 0.00 0.00 179.24 178.01 3duf s ILE 204 N -2.41 0.11 -0.24 0.35 2.07 -0.92 -4.52 121.20 115.63 3duf s ILE 204 Ca -0.27 -0.87 -0.08 0.00 -1.41 0.00 0.00 60.65 58.02 3duf s ILE 204 Cb 0.06 -0.48 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 3duf s ILE 204 CO 0.65 -0.48 0.09 -0.89 -1.91 0.00 0.00 174.94 172.40 3duf s THR 205 N -1.69 4.64 -0.28 4.00 2.01 -1.09 0.28 115.64 123.51 3duf s THR 205 Ca -0.13 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 3duf s THR 205 Cb -0.07 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.30 3duf s THR 205 CO -0.01 0.35 0.02 -0.63 -0.69 0.00 0.00 174.62 173.66 3duf s ILE 206 N 1.31 3.43 -0.18 1.82 1.01 0.24 -2.00 121.20 126.83 3duf s ILE 206 Ca 0.05 -0.91 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 3duf s ILE 206 Cb -0.15 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3duf s ILE 206 CO 0.04 0.10 0.06 -0.63 0.00 0.00 0.00 174.94 174.51 3duf s ILE 207 N 1.40 4.80 0.37 2.92 1.01 -0.71 -0.86 121.20 130.14 3duf s ILE 207 Ca 0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.55 3duf s ILE 207 Cb -0.17 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.17 3duf s ILE 207 CO -0.01 0.47 0.62 0.00 0.00 0.00 0.00 174.94 176.03 3duf s ALA 208 N 0.30 0.16 0.04 9.38 0.00 -0.80 0.02 121.76 130.85 3duf s ALA 208 Ca 0.04 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.51 3duf s ALA 208 Cb -0.12 0.94 0.07 0.00 0.00 0.00 0.00 23.12 24.00 3duf s ALA 208 CO 0.00 -0.88 0.62 1.52 0.00 0.00 0.00 175.76 177.03 3duf s TYR 209 N -2.60 -0.58 0.00 0.00 1.13 -1.26 -2.21 117.35 111.84 3duf s TYR 209 Ca 0.24 0.75 0.00 0.00 -1.41 0.00 0.00 57.07 56.65 3duf s TYR 209 Cb -0.03 0.44 0.00 0.00 -1.10 0.00 0.00 41.96 41.28 3duf s TYR 209 CO 0.17 -0.69 0.00 0.41 -2.51 0.00 0.00 175.55 172.93 3duf n GLY 210 N 0.41 0.71 0.00 5.49 0.00 -1.26 -3.20 105.19 107.34 3duf n GLY 210 Ca -0.18 -0.83 0.07 0.00 0.00 0.00 0.00 46.02 45.08 3duf n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3duf n ALA 211 N 6.58 1.68 0.35 4.61 0.00 -1.26 -2.44 120.51 130.03 3duf n ALA 211 Ca 0.00 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.52 3duf n ALA 211 Cb 0.00 -1.23 0.32 0.00 0.00 0.00 0.00 19.45 18.54 3duf n ALA 211 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3duf h MET 212 N 0.00 0.00 -0.15 0.00 2.07 -1.90 -3.22 114.93 111.72 3duf h MET 212 Ca 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.62 3duf h MET 212 Cb 0.23 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.96 3duf h MET 212 CO 0.00 0.00 0.05 0.28 1.07 0.00 0.00 176.91 178.31 3duf h VAL 213 N 0.00 1.18 -0.09 -2.22 2.07 -1.65 -0.55 116.25 114.99 3duf h VAL 213 Ca 0.00 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3duf h VAL 213 Cb 0.83 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3duf h VAL 213 CO 0.00 0.17 -0.12 -0.74 0.02 0.00 0.00 177.57 176.90 3duf h HIS 214 N 0.06 -0.31 -0.99 1.57 -0.00 -1.75 -0.55 115.15 113.18 3duf h HIS 214 Ca 0.05 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.51 3duf h HIS 214 Cb 0.23 0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 27.71 3duf h HIS 214 CO -0.00 -0.18 0.63 0.93 -0.00 0.00 0.00 177.93 179.31 3duf h GLU 215 N -0.16 1.08 -0.41 5.26 4.39 -1.57 0.88 114.58 124.06 3duf h GLU 215 Ca 0.07 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 3duf h GLU 215 Cb 0.27 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3duf h GLU 215 CO -0.19 0.72 0.19 0.77 -1.16 0.00 0.00 179.01 179.34 3duf h SER 216 N 1.11 0.54 -0.42 1.42 0.02 -0.36 0.26 113.55 116.11 3duf h SER 216 Ca 0.45 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 61.17 3duf h SER 216 Cb 0.25 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 3duf h SER 216 CO -0.20 0.53 -0.07 -0.07 -1.14 0.00 0.00 176.83 175.88 3duf h LEU 217 N 0.52 0.85 -0.45 5.07 3.38 -0.49 0.10 115.31 124.29 3duf h LEU 217 Ca 0.14 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3duf h LEU 217 Cb 0.14 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3duf h LEU 217 CO -0.02 0.95 0.29 0.50 0.09 0.00 0.00 178.44 180.26 3duf h LYS 218 N 0.79 0.57 -0.18 1.13 3.64 -0.38 -1.96 116.57 120.18 3duf h LYS 218 Ca 0.14 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3duf h LYS 218 Cb 0.57 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3duf h LYS 218 CO 0.03 0.38 -0.22 0.00 -2.27 0.00 0.00 179.45 177.37 3duf h ALA 219 N 1.18 1.29 -0.25 5.00 0.00 0.05 -2.95 119.26 123.58 3duf h ALA 219 Ca 0.17 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3duf h ALA 219 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3duf h ALA 219 CO -0.05 0.47 -0.19 0.00 0.00 0.00 0.00 179.25 179.49 3duf h ALA 220 N 1.48 1.22 -0.32 0.00 0.00 -0.06 -1.89 119.26 119.70 3duf h ALA 220 Ca 0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3duf h ALA 220 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3duf h ALA 220 CO 0.04 0.50 -0.24 0.00 0.00 0.00 0.00 179.25 179.55 3duf h ALA 221 N 1.41 0.46 -0.41 0.00 0.00 -1.27 -1.86 119.26 117.59 3duf h ALA 221 Ca 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 3duf h ALA 221 Cb 0.56 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3duf h ALA 221 CO 0.04 0.44 0.16 0.93 0.00 0.00 0.00 179.25 180.81 3duf h GLU 222 N 0.49 0.62 -0.10 0.00 4.39 -1.48 -2.87 114.58 115.64 3duf h GLU 222 Ca 0.06 -0.12 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 3duf h GLU 222 Cb 0.80 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3duf h GLU 222 CO 0.06 0.59 -0.09 -0.07 -1.16 0.00 0.00 179.01 178.34 3duf h LEU 223 N 0.52 0.14 -1.46 1.33 3.38 -1.27 -1.98 115.31 115.96 3duf h LEU 223 Ca 0.14 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3duf h LEU 223 Cb 0.21 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3duf h LEU 223 CO -0.01 0.26 0.38 -0.08 0.09 0.00 0.00 178.44 179.08 3duf h GLU 224 N 0.15 0.70 0.00 1.13 4.57 -1.10 0.16 114.58 120.18 3duf h GLU 224 Ca 0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3duf h GLU 224 Cb 0.27 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3duf h GLU 224 CO 0.01 0.46 0.00 1.63 -1.18 0.00 0.00 179.01 179.93 3duf n LYS 225 N -4.46 0.23 -0.05 1.92 5.02 -0.74 -1.94 118.16 118.13 3duf n LYS 225 Ca 0.06 0.14 0.03 0.00 -2.02 0.00 0.00 58.31 56.52 3duf n LYS 225 Cb 0.10 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.66 3duf n LYS 225 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3duf n GLU 226 N -1.26 2.67 -0.28 1.97 1.02 0.50 -4.98 120.64 120.28 3duf n GLU 226 Ca 0.07 -1.81 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 3duf n GLU 226 Cb 0.11 -1.15 0.00 0.00 -0.02 0.00 0.00 31.44 30.38 3duf n GLU 226 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3duf n GLY 227 N -0.56 1.76 3.54 0.62 0.00 -0.82 -5.01 105.19 104.72 3duf n GLY 227 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 3duf n GLY 227 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3duf s ILE 228 N -3.03 4.81 -0.43 -0.61 1.01 -0.92 -4.98 121.20 117.05 3duf s ILE 228 Ca 0.00 0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.77 3duf s ILE 228 Cb 0.00 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.30 3duf s ILE 228 CO 0.00 -0.53 0.79 -0.55 0.00 0.00 0.00 174.94 174.66 3duf s SER 229 N 1.96 6.45 -0.11 3.58 0.15 -1.26 -3.49 113.70 120.99 3duf s SER 229 Ca 0.25 0.03 -0.05 0.00 0.70 0.00 0.00 55.95 56.88 3duf s SER 229 Cb -0.14 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.74 3duf s SER 229 CO 0.18 -0.87 0.10 0.00 1.20 0.00 0.00 173.24 173.85 3duf s ALA 230 N 3.27 3.70 -0.27 5.45 0.00 -1.26 -0.26 121.76 132.38 3duf s ALA 230 Ca 0.31 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 3duf s ALA 230 Cb -0.12 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3duf s ALA 230 CO 0.21 0.61 0.14 -2.00 0.00 0.00 0.00 175.76 174.72 3duf s GLU 231 N -1.02 3.75 -0.26 0.00 2.12 0.14 -3.66 118.70 119.77 3duf s GLU 231 Ca 0.15 -0.44 -0.09 0.00 0.36 0.00 0.00 54.97 54.95 3duf s GLU 231 Cb -0.12 -3.51 -0.04 0.00 0.26 0.00 0.00 34.13 30.72 3duf s GLU 231 CO 0.04 -0.22 0.13 0.08 -0.54 0.00 0.00 175.26 174.75 3duf s VAL 232 N 1.68 4.86 -0.18 3.70 1.01 -0.53 0.79 120.40 131.73 3duf s VAL 232 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.03 3duf s VAL 232 Cb -0.16 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 3duf s VAL 232 CO 0.07 0.31 -0.07 -0.69 0.00 0.00 0.00 175.10 174.72 3duf s VAL 233 N 1.54 3.32 -0.27 2.92 1.01 -0.04 -0.65 120.40 128.24 3duf s VAL 233 Ca 0.06 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 3duf s VAL 233 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3duf s VAL 233 CO 0.07 0.47 0.16 -0.62 0.00 0.00 0.00 175.10 175.17 3duf s ASP 234 N 0.91 5.79 0.15 3.32 2.15 -0.87 -1.90 116.67 126.22 3duf s ASP 234 Ca -0.01 -0.05 -0.14 0.00 0.43 0.00 0.00 52.55 52.77 3duf s ASP 234 Cb -0.15 -2.07 0.02 0.00 -0.30 0.00 0.00 42.92 40.43 3duf s ASP 234 CO 0.00 -0.04 1.69 -0.07 -0.17 0.00 0.00 175.17 176.58 3duf h LEU 235 N 8.28 0.66 0.00 -1.34 3.38 -1.75 -2.01 115.31 122.53 3duf h LEU 235 Ca -0.36 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3duf h LEU 235 Cb 1.18 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.76 3duf h LEU 235 CO 0.56 0.67 0.00 0.54 0.09 0.00 0.00 178.44 180.30 3duf n ARG 236 N -4.56 0.00 -3.81 1.13 1.74 -1.26 -3.73 116.66 106.16 3duf n ARG 236 Ca 0.01 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.81 3duf n ARG 236 Cb 0.17 -3.14 -0.16 0.00 -1.02 0.00 0.00 32.46 28.30 3duf n ARG 236 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3duf s THR 237 N 0.00 0.85 -2.25 0.55 2.01 -1.26 -2.14 115.64 113.39 3duf s THR 237 Ca 0.00 -0.66 0.26 0.00 0.31 0.00 0.00 61.69 61.61 3duf s THR 237 Cb 0.00 -1.21 0.63 0.00 0.01 0.00 0.00 72.50 71.93 3duf s THR 237 CO 0.00 -0.07 1.83 1.33 -0.69 0.00 0.00 174.62 177.02 3duf n VAL 238 N 4.94 0.04 -3.15 3.82 0.24 -0.45 -4.34 118.33 119.43 3duf n VAL 238 Ca -0.10 -0.17 0.05 0.00 -2.04 0.00 0.00 64.34 62.08 3duf n VAL 238 Cb 0.47 0.10 -0.02 0.00 -1.47 0.00 0.00 33.84 32.92 3duf n VAL 238 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 3duf s GLN 239 N -1.96 0.20 0.75 7.34 2.00 -1.19 -4.46 119.66 122.34 3duf s GLN 239 Ca 0.38 0.34 -0.11 0.00 -2.00 0.00 0.00 55.36 53.97 3duf s GLN 239 Cb 0.19 0.19 0.04 0.00 0.80 0.00 0.00 33.01 34.23 3duf s GLN 239 CO 0.31 -0.23 1.08 -1.25 -0.50 0.00 0.00 175.29 174.71 3duf s PRO 240 N 2.95 2.50 0.36 1.67 0.04 -1.26 -1.55 135.00 139.71 3duf s PRO 240 Ca 0.01 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 61.70 3duf s PRO 240 Cb -0.10 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3duf s PRO 240 CO -0.12 -1.37 0.76 -0.51 0.04 0.00 0.00 177.00 175.81 3duf s LEU 241 N -5.66 3.97 -1.06 -3.56 2.01 -1.26 -4.59 118.68 108.53 3duf s LEU 241 Ca 0.59 1.26 -0.16 0.00 0.01 0.00 0.00 54.13 55.84 3duf s LEU 241 Cb -0.14 -4.09 0.16 0.00 0.01 0.00 0.00 46.19 42.13 3duf s LEU 241 CO 0.55 -0.29 1.24 -0.62 1.01 0.00 0.00 176.35 178.24 3duf s ASP 242 N -2.58 6.87 0.24 2.29 2.15 -1.26 -4.85 116.67 119.53 3duf s ASP 242 Ca 0.54 -2.58 -0.05 0.00 0.43 0.00 0.00 52.55 50.89 3duf s ASP 242 Cb -0.10 -2.38 0.34 0.00 -0.30 0.00 0.00 42.92 40.48 3duf s ASP 242 CO 0.22 -0.86 1.86 0.40 -0.17 0.00 0.00 175.17 176.62 3duf h ILE 243 N 5.15 1.06 -0.18 4.11 1.08 -1.94 -2.48 117.51 124.30 3duf h ILE 243 Ca 0.23 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3duf h ILE 243 Cb 0.95 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.65 3duf h ILE 243 CO 1.14 0.18 0.11 -0.08 -0.69 0.00 0.00 178.15 178.81 3duf h GLU 244 N 1.01 0.25 -0.53 2.37 4.57 -1.99 -0.15 114.58 120.11 3duf h GLU 244 Ca 0.38 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.48 3duf h GLU 244 Cb 0.16 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3duf h GLU 244 CO -0.17 0.23 0.13 1.15 -1.18 0.00 0.00 179.01 179.18 3duf h THR 245 N 0.20 1.24 0.82 0.32 2.02 -1.92 0.27 112.91 115.86 3duf h THR 245 Ca 0.07 -0.86 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 3duf h THR 245 Cb 0.05 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3duf h THR 245 CO -0.01 0.32 -0.44 0.40 0.37 0.00 0.00 175.52 176.15 3duf h ILE 246 N 0.75 0.11 -0.56 3.11 1.08 -1.30 -2.42 117.51 118.27 3duf h ILE 246 Ca 0.17 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.65 3duf h ILE 246 Cb 0.33 0.11 -0.03 0.00 -3.07 0.00 0.00 36.82 34.16 3duf h ILE 246 CO 0.00 0.00 0.36 0.40 -0.69 0.00 0.00 178.15 178.23 3duf h ILE 247 N -1.16 1.13 -0.82 -0.67 1.08 -1.02 -1.73 117.51 114.32 3duf h ILE 247 Ca -0.11 -0.25 0.15 0.00 -0.39 0.00 0.00 64.86 64.25 3duf h ILE 247 Cb 0.91 0.32 -0.09 0.00 -3.07 0.00 0.00 36.82 34.89 3duf h ILE 247 CO 0.15 0.13 0.39 1.23 -0.69 0.00 0.00 178.15 179.37 3duf h GLY 248 N 0.74 1.30 1.08 5.37 0.00 -0.42 -0.31 103.07 110.83 3duf h GLY 248 Ca 0.21 -0.22 -0.18 0.00 0.00 0.00 0.00 47.33 47.14 3duf h GLY 248 CO -0.05 -0.06 -0.56 0.23 0.00 0.00 0.00 176.54 176.10 3duf h SER 249 N 0.56 0.88 -0.11 0.19 0.87 -0.97 -3.27 113.55 111.70 3duf h SER 249 Ca 0.45 -0.57 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 3duf h SER 249 Cb 0.65 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 3duf h SER 249 CO -0.38 1.29 -0.25 0.58 -0.53 0.00 0.00 176.83 177.54 3duf h VAL 250 N 0.51 1.27 0.00 2.23 2.07 -0.74 -2.64 116.25 118.94 3duf h VAL 250 Ca -0.01 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3duf h VAL 250 Cb 1.18 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3duf h VAL 250 CO 0.12 0.42 0.00 -0.62 0.02 0.00 0.00 177.57 177.51 3duf n GLU 251 N -4.12 1.00 0.00 1.57 1.02 -0.18 0.03 120.64 119.97 3duf n GLU 251 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3duf n GLU 251 Cb 0.41 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 3duf n GLU 251 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3duf n LYS 252 N 0.44 0.46 -0.10 3.49 4.81 -1.02 -4.85 118.16 121.38 3duf n LYS 252 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 3duf n LYS 252 Cb 0.47 -0.59 -0.14 0.00 0.02 0.00 0.00 35.03 34.79 3duf n LYS 252 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 3duf n THR 253 N -1.10 1.48 -0.97 3.15 -2.24 -1.06 -4.95 114.28 108.59 3duf n THR 253 Ca 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3duf n THR 253 Cb 0.09 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 3duf n THR 253 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3duf n GLY 254 N 2.00 0.84 3.15 3.38 0.00 0.11 -4.78 105.19 109.90 3duf n GLY 254 Ca -0.38 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 3duf n GLY 254 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3duf s ARG 255 N -0.09 0.78 -0.18 1.61 0.52 -1.26 -0.50 118.95 119.82 3duf s ARG 255 Ca 0.00 -1.20 -0.35 0.00 -0.52 0.00 0.00 55.73 53.66 3duf s ARG 255 Cb 0.00 0.26 0.14 0.00 0.52 0.00 0.00 34.95 35.87 3duf s ARG 255 CO 0.00 -0.21 1.21 0.00 0.02 0.00 0.00 175.30 176.32 3duf s ALA 256 N -3.94 -2.07 0.01 2.13 0.00 -1.26 -2.68 121.76 113.95 3duf s ALA 256 Ca 0.11 1.57 -0.05 0.00 0.00 0.00 0.00 51.96 53.60 3duf s ALA 256 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 3duf s ALA 256 CO -0.07 -0.61 0.08 0.96 0.00 0.00 0.00 175.76 176.12 3duf s ILE 257 N -2.42 0.10 -0.09 0.00 -4.36 -0.85 -3.29 121.20 110.29 3duf s ILE 257 Ca 0.09 -0.81 0.03 0.00 -0.26 0.00 0.00 60.65 59.70 3duf s ILE 257 Cb -0.01 -0.44 -0.01 0.00 1.25 0.00 0.00 42.46 43.25 3duf s ILE 257 CO -0.05 -0.45 -0.19 -0.69 0.24 0.00 0.00 174.94 173.81 3duf s VAL 258 N -1.56 2.58 -0.11 8.37 1.01 -0.79 -1.73 120.40 128.17 3duf s VAL 258 Ca -0.14 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.01 3duf s VAL 258 Cb -0.08 -2.02 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 3duf s VAL 258 CO 0.00 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 174.76 3duf s VAL 259 N 0.02 2.38 0.06 2.92 1.01 0.10 -0.65 120.40 126.24 3duf s VAL 259 Ca -0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 3duf s VAL 259 Cb -0.15 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 3duf s VAL 259 CO 0.05 0.55 0.16 0.00 0.00 0.00 0.00 175.10 175.86 3duf s GLN 260 N 0.38 0.71 0.22 2.72 -2.07 -0.89 -4.02 119.66 116.72 3duf s GLN 260 Ca -0.16 -0.80 0.18 0.00 -1.82 0.00 0.00 55.36 52.77 3duf s GLN 260 Cb -0.17 0.29 0.03 0.00 -1.09 0.00 0.00 33.01 32.07 3duf s GLN 260 CO 0.07 -0.20 1.20 1.49 -1.32 0.00 0.00 175.29 176.53 3duf h GLU 261 N 3.25 0.00 -7.39 9.60 4.81 -1.88 -3.39 114.58 119.58 3duf h GLU 261 Ca -0.33 0.00 -0.46 0.00 -0.13 0.00 0.00 59.36 58.44 3duf h GLU 261 Cb 1.19 0.00 0.15 0.00 0.63 0.00 0.00 28.75 30.72 3duf h GLU 261 CO 0.52 0.27 0.22 0.00 -0.73 0.00 0.00 179.01 179.29 3duf s ALA 262 N -3.06 1.17 0.66 2.92 0.00 -1.26 -4.37 121.76 117.81 3duf s ALA 262 Ca 0.01 -0.38 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 3duf s ALA 262 Cb 0.08 -3.10 -0.00 0.00 0.00 0.00 0.00 23.12 20.09 3duf s ALA 262 CO 0.76 -2.69 1.23 -0.65 0.00 0.00 0.00 175.76 174.41 3duf s GLN 263 N -5.03 2.57 0.24 0.00 1.11 -1.26 -1.86 119.66 115.42 3duf s GLN 263 Ca 0.65 1.86 -0.07 0.00 0.01 0.00 0.00 55.36 57.81 3duf s GLN 263 Cb -0.18 -1.87 0.27 0.00 -1.01 0.00 0.00 33.01 30.22 3duf s GLN 263 CO 0.57 -1.53 1.89 -0.09 0.01 0.00 0.00 175.29 176.14 3duf h ARG 264 N 0.37 1.12 0.00 2.91 2.43 -1.65 -0.46 114.38 119.10 3duf h ARG 264 Ca -0.50 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 3duf h ARG 264 Cb 1.31 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 3duf h ARG 264 CO 0.53 0.74 0.00 0.00 -1.51 0.00 0.00 179.97 179.73 3duf n GLN 265 N -4.50 0.87 -1.05 0.20 10.64 -1.26 -4.77 117.38 117.50 3duf n GLN 265 Ca 0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.28 3duf n GLN 265 Cb 0.07 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.03 3duf n GLN 265 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3duf n ALA 266 N -0.93 0.00 -0.11 2.61 0.00 -0.18 -5.09 120.51 116.81 3duf n ALA 266 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3duf n ALA 266 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 3duf n ALA 266 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3duf n GLY 267 N 4.21 -0.83 0.00 0.00 0.00 -1.26 -4.58 105.19 102.73 3duf n GLY 267 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3duf n GLY 267 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3duf n ILE 268 N 0.00 0.05 -0.31 -0.61 -6.64 -1.26 -4.27 119.36 106.32 3duf n ILE 268 Ca 0.00 -0.26 0.10 0.00 -1.77 0.00 0.00 62.75 60.82 3duf n ILE 268 Cb 0.00 1.44 0.32 0.00 -1.44 0.00 0.00 39.64 39.96 3duf n ILE 268 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3duf h ALA 269 N 0.00 1.70 -0.72 -1.28 0.00 -1.94 -1.88 119.26 115.14 3duf h ALA 269 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3duf h ALA 269 Cb 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 3duf h ALA 269 CO 0.00 0.04 0.48 0.00 0.00 0.00 0.00 179.25 179.77 3duf h ALA 270 N 1.58 1.61 0.00 0.00 0.00 -1.87 -0.14 119.26 120.43 3duf h ALA 270 Ca 0.47 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.15 3duf h ALA 270 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3duf h ALA 270 CO -0.24 0.31 -0.89 -0.97 0.00 0.00 0.00 179.25 177.46 3duf h ASN 271 N 0.85 0.32 -0.24 0.00 -1.24 -1.72 -1.36 115.58 112.20 3duf h ASN 271 Ca 0.29 -0.26 -0.11 0.00 0.71 0.00 0.00 56.30 56.93 3duf h ASN 271 Cb 0.10 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 3duf h ASN 271 CO -0.09 1.06 -0.28 0.58 -1.29 0.00 0.00 177.43 177.41 3duf h VAL 272 N 0.14 1.32 -0.55 2.57 2.07 -1.20 -1.17 116.25 119.43 3duf h VAL 272 Ca -0.05 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 3duf h VAL 272 Cb 1.52 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.97 3duf h VAL 272 CO 0.14 0.46 0.29 0.58 0.02 0.00 0.00 177.57 179.06 3duf h VAL 273 N 0.32 1.19 -0.54 2.57 2.07 -1.05 -0.87 116.25 119.95 3duf h VAL 273 Ca 0.03 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3duf h VAL 273 Cb 0.85 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 3duf h VAL 273 CO 0.07 0.21 0.25 0.00 0.02 0.00 0.00 177.57 178.12 3duf h ALA 274 N 1.12 0.69 -0.40 1.67 0.00 -1.18 -1.90 119.26 119.26 3duf h ALA 274 Ca 0.19 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3duf h ALA 274 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3duf h ALA 274 CO -0.03 0.26 -0.06 0.93 0.00 0.00 0.00 179.25 180.35 3duf h GLU 275 N 0.72 0.68 -0.34 0.00 4.39 -0.90 -2.57 114.58 116.56 3duf h GLU 275 Ca 0.18 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 3duf h GLU 275 Cb 0.13 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3duf h GLU 275 CO -0.02 0.74 -0.20 0.82 -1.16 0.00 0.00 179.01 179.18 3duf h ILE 276 N 0.63 1.29 0.00 3.13 2.04 -0.90 -2.80 117.51 120.90 3duf h ILE 276 Ca 0.12 -1.33 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 3duf h ILE 276 Cb 0.48 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3duf h ILE 276 CO 0.03 0.44 -0.13 0.78 0.00 0.00 0.00 178.15 179.26 3duf h ASN 277 N 0.52 0.00 1.02 1.72 2.35 -1.19 -0.59 115.58 119.41 3duf h ASN 277 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3duf h ASN 277 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3duf h ASN 277 CO 0.06 0.13 -0.91 -0.08 -1.65 0.00 0.00 177.43 174.98 3duf h GLU 278 N 0.00 0.00 0.00 0.81 4.22 -1.31 -3.34 114.58 114.96 3duf h GLU 278 Ca -0.00 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.33 3duf h GLU 278 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3duf h GLU 278 CO 0.02 0.00 -1.40 0.54 -2.18 0.00 0.00 179.01 175.99 3duf n ARG 279 N -2.62 0.74 -0.76 1.92 1.74 -1.07 -4.71 116.66 111.89 3duf n ARG 279 Ca 0.01 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3duf n ARG 279 Cb 0.53 -1.14 0.27 0.00 -1.02 0.00 0.00 32.46 31.11 3duf n ARG 279 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3duf n ALA 280 N -2.61 3.92 0.01 7.54 0.00 -0.25 -4.66 120.51 124.46 3duf n ALA 280 Ca -0.12 -2.48 0.12 0.00 0.00 0.00 0.00 53.44 50.96 3duf n ALA 280 Cb 0.64 -0.95 0.56 0.00 0.00 0.00 0.00 19.45 19.70 3duf n ALA 280 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3duf h ILE 281 N 2.07 0.91 0.00 0.00 6.09 -1.68 -1.09 117.51 123.81 3duf h ILE 281 Ca 0.15 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.55 3duf h ILE 281 Cb 1.87 0.62 0.00 0.00 0.47 0.00 0.00 36.82 39.78 3duf h ILE 281 CO 0.47 0.05 0.00 0.18 -3.07 0.00 0.00 178.15 175.78 3duf n LEU 282 N -4.47 0.00 -0.03 2.19 4.77 -1.26 -3.47 117.00 114.73 3duf n LEU 282 Ca 0.07 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.30 3duf n LEU 282 Cb 0.33 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3duf n LEU 282 CO 0.35 -0.00 0.01 -1.20 -1.33 0.00 0.00 177.39 175.21 3duf n SER 283 N -1.21 0.52 -4.77 -1.43 7.64 -0.43 -5.03 113.62 108.91 3duf n SER 283 Ca 0.17 -0.76 -0.38 0.00 1.01 0.00 0.00 58.87 58.90 3duf n SER 283 Cb 0.21 0.93 -0.04 0.00 -1.01 0.00 0.00 64.21 64.30 3duf n SER 283 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3duf s LEU 284 N -2.31 4.33 -0.01 -3.43 1.43 -1.13 -4.39 118.68 113.16 3duf s LEU 284 Ca 0.04 2.20 0.07 0.00 -1.03 0.00 0.00 54.13 55.40 3duf s LEU 284 Cb 0.07 -3.92 -0.10 0.00 0.03 0.00 0.00 46.19 42.28 3duf s LEU 284 CO 0.35 -0.38 0.17 -0.62 0.23 0.00 0.00 176.35 176.10 3duf n GLU 285 N 0.49 1.12 -3.85 1.70 -0.58 0.34 -5.03 120.64 114.83 3duf n GLU 285 Ca 0.02 -0.05 -0.10 0.00 -0.42 0.00 0.00 57.16 56.61 3duf n GLU 285 Cb 0.47 -1.09 -0.08 0.00 -0.57 0.00 0.00 31.44 30.17 3duf n GLU 285 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3duf s ALA 286 N -2.29 -0.33 0.46 0.62 0.00 -1.25 -5.04 121.76 113.93 3duf s ALA 286 Ca -0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 51.96 51.35 3duf s ALA 286 Cb 0.04 0.32 -0.07 0.00 0.00 0.00 0.00 23.12 23.40 3duf s ALA 286 CO 0.27 -0.39 1.32 -1.25 0.00 0.00 0.00 175.76 175.72 3duf s PRO 287 N -2.80 3.68 -0.54 0.00 0.04 -1.26 -4.78 135.00 129.34 3duf s PRO 287 Ca -0.03 2.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 3duf s PRO 287 Cb 0.00 -2.57 0.03 0.00 0.04 0.00 0.00 34.50 32.01 3duf s PRO 287 CO -0.05 -0.74 1.09 0.08 0.04 0.00 0.00 177.00 177.42 3duf s VAL 288 N -1.30 4.20 0.30 -0.36 1.01 -1.26 -4.79 120.40 118.19 3duf s VAL 288 Ca 0.62 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 63.39 3duf s VAL 288 Cb -0.38 -4.62 -0.04 0.00 0.00 0.00 0.00 36.38 31.33 3duf s VAL 288 CO 0.48 -1.16 0.53 -0.76 0.00 0.00 0.00 175.10 174.19 3duf s LEU 289 N 4.47 4.06 0.12 3.92 1.43 -1.21 -4.95 118.68 126.52 3duf s LEU 289 Ca 0.40 0.57 0.07 0.00 -1.03 0.00 0.00 54.13 54.14 3duf s LEU 289 Cb -0.09 -3.40 -0.04 0.00 0.03 0.00 0.00 46.19 42.69 3duf s LEU 289 CO 0.26 -0.21 -0.05 -0.13 0.23 0.00 0.00 176.35 176.44 3duf s ARG 290 N -3.82 2.31 -0.21 1.70 0.52 -1.26 -1.88 118.95 116.31 3duf s ARG 290 Ca 0.42 -1.00 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 3duf s ARG 290 Cb -0.10 -2.38 0.03 0.00 0.52 0.00 0.00 34.95 33.02 3duf s ARG 290 CO 0.32 0.50 -0.16 0.08 0.02 0.00 0.00 175.30 176.07 3duf s VAL 291 N -1.38 2.18 0.33 3.52 1.01 0.18 -4.92 120.40 121.32 3duf s VAL 291 Ca 0.24 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3duf s VAL 291 Cb -0.11 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 3duf s VAL 291 CO 0.16 0.34 0.44 0.00 0.00 0.00 0.00 175.10 176.03 3duf s ALA 292 N 1.24 0.89 0.48 5.51 0.00 -1.26 -2.09 121.76 126.53 3duf s ALA 292 Ca 0.00 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 3duf s ALA 292 Cb -0.15 1.20 -0.01 0.00 0.00 0.00 0.00 23.12 24.16 3duf s ALA 292 CO -0.10 -0.77 0.75 0.00 0.00 0.00 0.00 175.76 175.64 3duf s ALA 293 N -3.19 3.53 0.71 0.00 0.00 -0.78 -4.78 121.76 117.26 3duf s ALA 293 Ca 0.32 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 3duf s ALA 293 Cb 0.00 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.77 3duf s ALA 293 CO 0.20 -0.43 1.20 -2.14 0.00 0.00 0.00 175.76 174.59 3duf s PRO 294 N -4.69 2.25 -0.33 0.00 0.02 -1.26 -2.03 135.00 128.96 3duf s PRO 294 Ca 0.48 1.74 -0.07 0.00 0.02 0.00 0.00 61.00 63.18 3duf s PRO 294 Cb -0.10 -1.85 -0.23 0.00 0.02 0.00 0.00 34.50 32.34 3duf s PRO 294 CO 0.41 -1.75 3.42 -0.25 -0.33 0.00 0.00 177.00 178.50 3duf n ASP 295 N -2.61 5.81 -4.73 2.53 8.00 -1.26 -4.57 116.55 119.72 3duf n ASP 295 Ca 0.13 -2.47 -0.29 0.00 0.71 0.00 0.00 54.79 52.86 3duf n ASP 295 Cb 0.50 -1.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.11 3duf n ASP 295 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3duf s THR 296 N 1.30 1.66 0.65 -3.53 -4.23 -1.26 -5.08 115.64 105.15 3duf s THR 296 Ca 0.66 -1.89 -0.17 0.00 -1.18 0.00 0.00 61.69 59.11 3duf s THR 296 Cb 0.28 -2.55 -0.00 0.00 1.34 0.00 0.00 72.50 71.57 3duf s THR 296 CO -0.01 0.00 1.19 -0.69 -0.54 0.00 0.00 174.62 174.57 3duf s VAL 297 N -2.77 2.61 0.08 2.29 1.01 -1.26 -4.88 120.40 117.48 3duf s VAL 297 Ca 0.24 0.33 -0.35 0.00 0.00 0.00 0.00 61.98 62.20 3duf s VAL 297 Cb 0.04 -2.99 -0.15 0.00 0.00 0.00 0.00 36.38 33.28 3duf s VAL 297 CO 0.13 -0.13 1.54 0.00 0.00 0.00 0.00 175.10 176.64 3duf n TYR 298 N -2.13 2.00 -1.81 5.22 9.36 -1.26 -4.87 117.16 123.66 3duf n TYR 298 Ca 0.13 0.39 -0.38 0.00 3.32 0.00 0.00 57.90 61.36 3duf n TYR 298 Cb 0.50 -2.48 0.04 0.00 -0.63 0.00 0.00 39.34 36.78 3duf n TYR 298 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3duf s PRO 299 N 1.29 3.08 0.31 2.98 0.04 -1.26 -4.98 135.00 136.46 3duf s PRO 299 Ca 0.84 2.17 -0.30 0.00 0.04 0.00 0.00 61.00 63.75 3duf s PRO 299 Cb -0.80 -2.19 -0.12 0.00 0.04 0.00 0.00 34.50 31.42 3duf s PRO 299 CO 0.44 -1.21 1.50 1.19 0.04 0.00 0.00 177.00 178.96 3duf n PHE 300 N -1.14 2.67 -0.16 0.56 3.72 -1.26 -4.82 117.46 117.03 3duf n PHE 300 Ca 0.11 0.37 0.01 0.00 -0.05 0.00 0.00 57.45 57.89 3duf n PHE 300 Cb 0.46 -2.53 0.04 0.00 -0.94 0.00 0.00 39.48 36.51 3duf n PHE 300 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3duf n ALA 301 N 1.50 0.04 0.24 4.37 0.00 -1.26 -0.31 120.51 125.10 3duf n ALA 301 Ca 0.07 0.46 0.18 0.00 0.00 0.00 0.00 53.44 54.14 3duf n ALA 301 Cb 0.36 -0.25 0.88 0.00 0.00 0.00 0.00 19.45 20.44 3duf n ALA 301 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3duf h GLN 302 N 0.00 0.00 -0.50 0.00 1.08 -1.95 -2.73 115.11 111.01 3duf h GLN 302 Ca 0.19 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 3duf h GLN 302 Cb 0.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 3duf h GLN 302 CO -0.44 0.00 0.03 0.00 -0.95 0.00 0.00 178.83 177.47 3duf n ALA 303 N -2.25 3.72 -0.14 3.87 0.00 0.58 -4.59 120.51 121.70 3duf n ALA 303 Ca 0.00 -2.11 -0.09 0.00 0.00 0.00 0.00 53.44 51.25 3duf n ALA 303 Cb 0.29 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.72 3duf n ALA 303 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3duf h GLU 304 N 3.19 0.65 0.02 0.00 5.08 -1.62 -2.91 114.58 119.00 3duf h GLU 304 Ca 0.03 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3duf h GLU 304 Cb 1.87 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.97 3duf h GLU 304 CO 0.44 0.64 -0.50 0.77 -1.00 0.00 0.00 179.01 179.36 3duf h SER 305 N 0.54 -1.54 0.88 1.42 0.02 -1.85 0.15 113.55 113.17 3duf h SER 305 Ca 0.14 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3duf h SER 305 Cb 0.26 0.58 0.00 0.00 0.14 0.00 0.00 62.40 63.39 3duf h SER 305 CO -0.00 -0.51 0.00 1.33 -1.14 0.00 0.00 176.83 176.50 3duf n VAL 306 N -5.47 0.75 -0.11 2.27 0.24 -1.24 -3.86 118.33 110.92 3duf n VAL 306 Ca -0.07 0.10 -0.23 0.00 -2.04 0.00 0.00 64.34 62.10 3duf n VAL 306 Cb 0.40 -0.97 -0.11 0.00 -1.47 0.00 0.00 33.84 31.68 3duf n VAL 306 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 3duf n TRP 307 N -2.10 0.34 -2.23 6.34 -0.00 -0.97 -4.95 117.44 113.86 3duf n TRP 307 Ca 0.03 0.11 -0.41 0.00 -0.00 0.00 0.00 57.50 57.22 3duf n TRP 307 Cb 0.27 -1.04 -0.03 0.00 -0.00 0.00 0.00 31.31 30.51 3duf n TRP 307 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 3duf s LEU 308 N -7.16 4.41 0.40 5.87 1.43 0.48 -4.57 118.68 119.54 3duf s LEU 308 Ca -0.34 2.35 -0.25 0.00 -1.03 0.00 0.00 54.13 54.86 3duf s LEU 308 Cb 0.10 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.64 3duf s LEU 308 CO 0.58 -0.53 1.18 -2.16 0.23 0.00 0.00 176.35 175.65 3duf s PRO 309 N 0.14 4.04 0.36 1.29 0.04 -1.26 -4.92 135.00 134.68 3duf s PRO 309 Ca 0.58 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.50 3duf s PRO 309 Cb -0.36 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.50 3duf s PRO 309 CO 0.36 -0.34 0.11 0.27 0.04 0.00 0.00 177.00 177.45 3duf n ASN 310 N 0.06 1.38 0.32 6.66 0.23 -1.26 -5.01 115.26 117.64 3duf n ASN 310 Ca 0.04 -2.86 0.19 0.00 -0.53 0.00 0.00 54.58 51.42 3duf n ASN 310 Cb 0.46 0.83 1.01 0.00 -2.08 0.00 0.00 39.78 40.00 3duf n ASN 310 CO 0.00 0.00 0.00 2.19 -0.93 0.00 0.00 177.26 178.52 3duf h PHE 311 N 1.54 0.00 0.00 -2.53 -0.00 -1.96 -1.21 116.94 112.78 3duf h PHE 311 Ca -0.28 0.00 -0.13 0.00 -0.00 0.00 0.00 57.97 57.56 3duf h PHE 311 Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.98 3duf h PHE 311 CO 0.00 0.00 -0.63 0.87 -0.00 0.00 0.00 178.31 178.55 3duf h LYS 312 N 0.00 0.00 0.00 6.09 1.57 -1.96 -1.53 116.57 120.75 3duf h LYS 312 Ca 0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 3duf h LYS 312 Cb 0.34 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3duf h LYS 312 CO -0.00 0.63 -0.89 -0.44 -0.57 0.00 0.00 179.45 178.18 3duf h ASP 313 N 0.00 0.00 0.74 0.86 3.32 -1.62 -2.58 116.42 117.15 3duf h ASP 313 Ca -0.01 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.88 3duf h ASP 313 Cb 1.28 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 3duf h ASP 313 CO 0.08 0.89 -0.76 0.58 -1.72 0.00 0.00 179.24 178.31 3duf h VAL 314 N 0.00 1.54 -0.18 -1.35 2.07 -1.40 -1.46 116.25 115.47 3duf h VAL 314 Ca -0.01 -2.59 -0.04 0.00 0.82 0.00 0.00 66.70 64.88 3duf h VAL 314 Cb 1.60 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.76 3duf h VAL 314 CO 0.12 0.74 -0.04 0.40 0.02 0.00 0.00 177.57 178.81 3duf h ILE 315 N 0.01 1.29 -0.05 4.57 1.08 -1.19 -2.26 117.51 120.95 3duf h ILE 315 Ca -0.01 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.45 3duf h ILE 315 Cb 1.35 1.59 -0.00 0.00 -3.07 0.00 0.00 36.82 36.68 3duf h ILE 315 CO 0.10 0.30 0.02 -0.08 -0.69 0.00 0.00 178.15 177.80 3duf h GLU 316 N 0.05 0.08 -0.20 2.37 4.81 -1.37 -2.57 114.58 117.75 3duf h GLU 316 Ca 0.05 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 3duf h GLU 316 Cb 0.48 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 3duf h GLU 316 CO 0.02 0.25 -0.16 1.15 -0.73 0.00 0.00 179.01 179.53 3duf h THR 317 N -0.11 1.22 -0.27 0.32 2.02 -1.34 -2.25 112.91 112.50 3duf h THR 317 Ca 0.02 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.13 3duf h THR 317 Cb 0.20 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3duf h THR 317 CO -0.00 0.31 -0.22 0.00 0.37 0.00 0.00 175.52 175.98 3duf h ALA 318 N 1.52 1.11 -0.20 6.16 0.00 -1.33 -2.71 119.26 123.82 3duf h ALA 318 Ca 0.06 -0.33 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3duf h ALA 318 Cb 0.48 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3duf h ALA 318 CO 0.03 0.55 -0.55 0.87 0.00 0.00 0.00 179.25 180.15 3duf h LYS 319 N 0.46 0.61 -0.65 0.00 1.57 -1.01 -2.33 116.57 115.21 3duf h LYS 319 Ca 0.07 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.48 3duf h LYS 319 Cb 0.64 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 3duf h LYS 319 CO 0.05 1.00 0.42 0.87 -0.57 0.00 0.00 179.45 181.21 3duf h LYS 320 N 0.47 0.81 -0.15 3.15 1.57 -1.16 0.94 116.57 122.20 3duf h LYS 320 Ca 0.01 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 3duf h LYS 320 Cb 1.11 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3duf h LYS 320 CO 0.11 0.54 -0.46 0.28 -0.57 0.00 0.00 179.45 179.35 3duf h VAL 321 N 0.84 1.32 -0.01 0.50 2.07 -1.44 -2.43 116.25 117.11 3duf h VAL 321 Ca 0.25 -1.65 -0.21 0.00 0.82 0.00 0.00 66.70 65.90 3duf h VAL 321 Cb -0.05 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3duf h VAL 321 CO -0.07 0.50 -0.90 0.24 0.02 0.00 0.00 177.57 177.36 3duf h MET 322 N 0.29 0.37 -0.28 1.57 2.86 -0.98 -3.13 114.93 115.63 3duf h MET 322 Ca 0.02 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 3duf h MET 322 Cb 0.92 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3duf h MET 322 CO 0.08 1.06 0.00 0.09 1.06 0.00 0.00 176.91 179.19 3duf n ASN 323 N -3.74 1.62 0.00 1.22 3.02 0.29 -5.10 115.26 112.57 3duf n ASN 323 Ca -0.06 -1.93 0.07 0.00 -0.03 0.00 0.00 54.58 52.64 3duf n ASN 323 Cb 0.81 -0.18 0.43 0.00 -0.61 0.00 0.00 39.78 40.23 3duf n ASN 323 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97