#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 4.15 0.06 0.00 -1.52 -1.26 -2.03 119.66 119.06 3duf s GLN 2 Ca 0.00 2.52 0.00 0.00 -1.95 0.00 0.00 55.36 55.94 3duf s GLN 2 Cb 0.00 -3.34 -0.03 0.00 -0.22 0.00 0.00 33.01 29.41 3duf s GLN 2 CO 0.00 -0.76 -0.05 -1.64 -0.25 0.00 0.00 175.29 172.60 3duf s MET 3 N 1.92 0.61 0.59 2.91 -1.94 -0.04 -4.84 119.30 118.50 3duf s MET 3 Ca 0.76 -1.08 0.03 0.00 -1.71 0.00 0.00 55.69 53.69 3duf s MET 3 Cb -0.46 0.01 0.07 0.00 2.01 0.00 0.00 34.83 36.46 3duf s MET 3 CO 0.33 -0.05 0.82 0.95 -0.01 0.00 0.00 175.02 177.06 3duf s THR 4 N -3.05 2.47 0.19 2.05 -4.23 -1.26 -1.06 115.64 110.76 3duf s THR 4 Ca 0.02 -0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 59.70 3duf s THR 4 Cb 0.02 -2.73 0.11 0.00 1.34 0.00 0.00 72.50 71.23 3duf s THR 4 CO -0.06 0.00 1.71 -0.03 -0.54 0.00 0.00 174.62 175.70 3duf h MET 5 N -0.02 1.12 -0.19 3.99 4.05 -1.70 -2.05 114.93 120.13 3duf h MET 5 Ca -0.38 -0.27 -0.06 0.00 -0.28 0.00 0.00 59.70 58.71 3duf h MET 5 Cb 1.28 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 3duf h MET 5 CO 0.46 0.99 -0.13 -0.24 0.23 0.00 0.00 176.91 178.22 3duf h VAL 6 N 1.05 1.19 -0.03 -5.77 3.04 -1.77 -1.74 116.25 112.23 3duf h VAL 6 Ca 0.22 -0.85 -0.15 0.00 -1.01 0.00 0.00 66.70 64.91 3duf h VAL 6 Cb 0.38 1.19 -0.02 0.00 -2.01 0.00 0.00 31.29 30.83 3duf h VAL 6 CO 0.00 0.27 -0.66 1.56 -1.01 0.00 0.00 177.57 177.73 3duf h GLN 7 N 0.29 0.12 -0.15 4.17 4.20 -1.78 -2.08 115.11 119.88 3duf h GLN 7 Ca 0.06 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.52 3duf h GLN 7 Cb 0.41 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3duf h GLN 7 CO 0.02 0.74 -0.58 0.00 -0.67 0.00 0.00 178.83 178.34 3duf h ALA 8 N 1.24 0.72 -0.29 3.87 0.00 -0.74 -1.96 119.26 122.10 3duf h ALA 8 Ca -0.01 -0.53 -0.08 0.00 0.00 0.00 0.00 54.91 54.29 3duf h ALA 8 Cb 1.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3duf h ALA 8 CO 0.09 0.70 -0.14 0.82 0.00 0.00 0.00 179.25 180.73 3duf h ILE 9 N 0.36 1.29 -0.07 0.00 2.04 -1.25 -1.95 117.51 117.93 3duf h ILE 9 Ca 0.00 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.64 3duf h ILE 9 Cb 1.12 1.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 3duf h ILE 9 CO 0.10 0.39 0.02 0.74 0.00 0.00 0.00 178.15 179.40 3duf h THR 10 N 0.34 0.98 -0.16 -0.27 2.02 -1.29 -1.87 112.91 112.66 3duf h THR 10 Ca 0.06 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 3duf h THR 10 Cb 0.65 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3duf h THR 10 CO 0.04 0.01 -0.18 -0.78 0.37 0.00 0.00 175.52 174.99 3duf h ASP 11 N 0.05 0.25 -0.48 4.18 3.58 -1.34 -2.20 116.42 120.46 3duf h ASP 11 Ca 0.03 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.29 3duf h ASP 11 Cb 0.02 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 3duf h ASP 11 CO -0.04 0.45 -0.20 0.00 -2.88 0.00 0.00 179.24 176.57 3duf h ALA 12 N 1.58 0.71 -0.59 -0.78 0.00 -0.99 -1.23 119.26 117.95 3duf h ALA 12 Ca 0.05 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3duf h ALA 12 Cb 0.46 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3duf h ALA 12 CO 0.03 0.67 0.13 -0.07 0.00 0.00 0.00 179.25 180.01 3duf h LEU 13 N 0.86 0.87 -0.48 0.00 3.38 -0.97 -1.97 115.31 117.01 3duf h LEU 13 Ca 0.12 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3duf h LEU 13 Cb 0.78 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3duf h LEU 13 CO 0.06 0.86 -0.06 -0.09 0.09 0.00 0.00 178.44 179.31 3duf h ARG 14 N 0.89 0.89 -0.94 1.13 2.43 -1.22 -0.46 114.38 117.11 3duf h ARG 14 Ca 0.19 -0.31 0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3duf h ARG 14 Cb 0.34 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 3duf h ARG 14 CO 0.00 0.96 0.61 0.82 -1.51 0.00 0.00 179.97 180.85 3duf h ILE 15 N 0.75 1.18 -0.01 1.20 1.08 -0.88 -2.31 117.51 118.53 3duf h ILE 15 Ca 0.13 -0.42 -0.26 0.00 -0.39 0.00 0.00 64.86 63.93 3duf h ILE 15 Cb 0.59 -0.13 0.02 0.00 -3.07 0.00 0.00 36.82 34.22 3duf h ILE 15 CO 0.04 0.22 -1.02 -0.33 -0.69 0.00 0.00 178.15 176.37 3duf h GLU 16 N 1.21 0.66 -0.62 2.37 4.39 -1.10 -2.06 114.58 119.43 3duf h GLU 16 Ca 0.37 -0.70 -0.01 0.00 0.34 0.00 0.00 59.36 59.35 3duf h GLU 16 Cb -0.04 0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 3duf h GLU 16 CO -0.11 1.29 0.36 -0.07 -1.16 0.00 0.00 179.01 179.32 3duf h LEU 17 N 0.38 0.75 -0.08 1.33 3.38 -0.97 -1.91 115.31 118.19 3duf h LEU 17 Ca -0.12 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.56 3duf h LEU 17 Cb 1.67 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 42.24 3duf h LEU 17 CO 0.20 0.59 -1.01 0.50 0.09 0.00 0.00 178.44 178.81 3duf h LYS 18 N 0.86 0.53 0.00 1.13 1.63 -1.42 -3.31 116.57 115.99 3duf h LYS 18 Ca 0.22 -0.59 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3duf h LYS 18 Cb -0.00 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3duf h LYS 18 CO -0.04 1.21 -0.04 -0.97 -3.45 0.00 0.00 179.45 176.16 3duf h ASN 19 N 0.29 0.00 -2.59 4.20 -0.00 -1.17 -3.43 115.58 112.88 3duf h ASN 19 Ca -0.11 -0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 55.85 3duf h ASN 19 Cb 1.66 0.00 -0.37 0.00 -0.00 0.00 0.00 38.32 39.62 3duf h ASN 19 CO 0.19 0.00 -0.65 -0.62 -0.00 0.00 0.00 177.43 176.35 3duf s ASP 20 N -5.64 1.57 0.00 1.15 -1.08 -0.73 -5.01 116.67 106.93 3duf s ASP 20 Ca 0.08 -0.32 0.03 0.00 -0.52 0.00 0.00 52.55 51.81 3duf s ASP 20 Cb 0.08 0.28 0.11 0.00 -1.46 0.00 0.00 42.92 41.93 3duf s ASP 20 CO 0.65 -0.33 1.05 -0.81 0.52 0.00 0.00 175.17 176.24 3duf n PRO 21 N 5.31 0.01 0.12 4.34 -0.04 -1.26 -1.75 135.00 141.73 3duf n PRO 21 Ca -0.06 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 63.95 3duf n PRO 21 Cb 0.49 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.66 3duf n PRO 21 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3duf h ASN 22 N 0.00 0.00 -3.72 3.54 2.35 -1.92 -3.46 115.58 112.36 3duf h ASN 22 Ca 0.00 -0.07 -0.51 0.00 -0.55 0.00 0.00 56.30 55.17 3duf h ASN 22 Cb 0.04 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.44 3duf h ASN 22 CO 0.00 0.03 0.55 -0.69 -1.65 0.00 0.00 177.43 175.67 3duf s VAL 23 N -3.19 3.28 -0.01 2.81 1.01 -0.72 -0.87 120.40 122.72 3duf s VAL 23 Ca 0.07 1.22 0.00 0.00 0.00 0.00 0.00 61.98 63.27 3duf s VAL 23 Cb 0.11 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.71 3duf s VAL 23 CO 0.68 0.26 -0.01 -0.76 0.00 0.00 0.00 175.10 175.28 3duf s LEU 24 N -1.17 1.85 -0.12 3.92 1.43 -1.13 -4.92 118.68 118.54 3duf s LEU 24 Ca 0.48 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.58 3duf s LEU 24 Cb -0.34 -0.09 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 3duf s LEU 24 CO 0.43 -0.00 -0.17 -0.63 0.23 0.00 0.00 176.35 176.20 3duf s ILE 25 N 0.16 2.64 0.17 -0.59 1.01 0.29 -0.55 121.20 124.32 3duf s ILE 25 Ca -0.01 -0.81 -0.18 0.00 0.00 0.00 0.00 60.65 59.65 3duf s ILE 25 Cb -0.03 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.40 3duf s ILE 25 CO -0.00 0.54 0.49 0.72 0.00 0.00 0.00 174.94 176.69 3duf s PHE 26 N 0.37 -0.18 -5.00 3.97 -0.71 -1.23 -1.87 117.98 113.34 3duf s PHE 26 Ca -0.14 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.61 3duf s PHE 26 Cb -0.17 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.01 3duf s PHE 26 CO 0.07 -0.84 0.00 0.41 -1.34 0.00 0.00 175.22 173.51 3duf n GLY 27 N -0.31 -0.79 3.65 1.99 0.00 -1.18 -1.51 105.19 107.05 3duf n GLY 27 Ca -0.12 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.94 4.07 -1.46 1.61 2.02 -1.26 -3.03 118.70 118.72 3duf s GLU 28 Ca 0.00 1.83 -0.06 0.00 0.02 0.00 0.00 54.97 56.77 3duf s GLU 28 Cb 0.00 -3.93 0.03 0.00 0.10 0.00 0.00 34.13 30.33 3duf s GLU 28 CO 0.00 -0.95 0.51 -0.25 0.02 0.00 0.00 175.26 174.60 3duf n ASP 29 N 7.38 -5.27 0.03 -0.19 8.00 -1.26 -4.86 116.55 120.39 3duf n ASP 29 Ca 0.17 -0.28 0.12 0.00 0.71 0.00 0.00 54.79 55.50 3duf n ASP 29 Cb 0.44 -4.29 0.18 0.00 -0.02 0.00 0.00 41.12 37.42 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 -4.26 0.18 0.00 2.53 0.24 -1.24 -1.43 118.33 114.35 3duf n VAL 30 Ca -0.09 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3duf n VAL 30 Cb 0.60 0.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 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 1.41 0.53 0.50 7.63 0.00 -1.26 -3.71 105.19 110.28 3duf n GLY 31 Ca 0.04 -0.04 0.42 0.00 0.00 0.00 0.00 46.02 46.44 3duf n GLY 31 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3duf n VAL 32 N 0.00 -0.22 0.12 1.61 0.31 -1.26 0.13 118.33 119.02 3duf n VAL 32 Ca 0.00 1.76 -0.02 0.00 -0.01 0.00 0.00 64.34 66.07 3duf n VAL 32 Cb 0.00 -2.89 0.13 0.00 -0.91 0.00 0.00 33.84 30.17 3duf n VAL 32 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 3duf h ASN 33 N 0.00 0.01 -0.05 4.52 -1.24 -1.84 -3.48 115.58 113.51 3duf h ASN 33 Ca 0.88 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.87 3duf h ASN 33 Cb 2.93 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 41.97 3duf h ASN 33 CO -0.41 0.68 -0.02 0.61 -1.29 0.00 0.00 177.43 177.00 3duf n GLY 34 N 0.40 0.49 0.00 1.57 0.00 0.35 -4.87 105.19 103.13 3duf n GLY 34 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.66 0.01 0.36 -0.02 0.00 -0.51 -2.24 105.19 100.12 3duf n GLY 35 Ca -0.01 -1.71 -0.01 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.18 1.61 2.07 -1.89 -2.97 116.25 116.12 3duf h VAL 36 Ca 0.00 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3duf h VAL 36 Cb 0.00 -0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3duf h VAL 36 CO 0.00 0.23 -0.03 0.49 0.02 0.00 0.00 177.57 178.28 3duf n PHE 37 N -4.39 0.62 -1.18 1.57 3.72 -1.26 -4.97 117.46 111.56 3duf n PHE 37 Ca 0.10 -1.04 -0.06 0.00 -0.05 0.00 0.00 57.45 56.40 3duf n PHE 37 Cb 0.03 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 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 -0.92 -1.10 -0.07 -1.08 1.74 -1.12 -4.91 116.66 109.19 3duf n ARG 38 Ca 0.21 0.63 0.10 0.00 -0.77 0.00 0.00 57.85 58.01 3duf n ARG 38 Cb 0.82 -4.63 0.47 0.00 -1.02 0.00 0.00 32.46 28.10 3duf n ARG 38 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3duf h ALA 39 N 0.00 1.92 -0.31 7.54 0.00 -1.82 -2.64 119.26 123.95 3duf h ALA 39 Ca -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3duf h ALA 39 Cb 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3duf h ALA 39 CO 0.19 -0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.66 3duf n THR 40 N -4.47 2.08 -1.63 0.00 -2.24 -0.95 -4.16 114.28 102.91 3duf n THR 40 Ca 0.08 -1.67 -0.47 0.00 -2.27 0.00 0.00 64.05 59.73 3duf n THR 40 Cb 0.29 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3duf n THR 40 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3duf n GLU 41 N -0.19 1.65 -0.48 -0.78 4.07 -1.00 -2.24 120.64 121.67 3duf n GLU 41 Ca 0.20 0.59 0.00 0.00 -0.06 0.00 0.00 57.16 57.89 3duf n GLU 41 Cb 0.83 -2.18 0.00 0.00 -0.06 0.00 0.00 31.44 30.03 3duf n GLU 41 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3duf n GLY 42 N 2.14 1.07 0.16 8.31 0.00 -1.26 -4.88 105.19 110.73 3duf n GLY 42 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 0.55 -1.26 0.99 3.38 -1.81 -3.03 115.31 114.12 3duf h LEU 43 Ca 0.00 -0.58 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3duf h LEU 43 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3duf h LEU 43 CO 0.00 1.04 0.27 -0.61 0.09 0.00 0.00 178.44 179.22 3duf h GLN 44 N 0.09 0.78 0.00 1.13 4.15 -1.85 -0.49 115.11 118.91 3duf h GLN 44 Ca -0.01 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.25 3duf h GLN 44 Cb 0.97 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 3duf h GLN 44 CO 0.08 0.60 -0.35 0.00 -1.93 0.00 0.00 178.83 177.23 3duf h ALA 45 N 1.52 1.21 0.07 3.38 0.00 -1.89 0.21 119.26 123.76 3duf h ALA 45 Ca 0.19 -0.32 -0.32 0.00 0.00 0.00 0.00 54.91 54.46 3duf h ALA 45 Cb 0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3duf h ALA 45 CO -0.03 0.44 -1.74 1.49 0.00 0.00 0.00 179.25 179.42 3duf h GLU 46 N 0.00 0.16 -0.01 0.00 4.81 -1.28 -3.40 114.58 114.86 3duf h GLU 46 Ca -0.00 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 3duf h GLU 46 Cb 0.72 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.20 3duf h GLU 46 CO 0.05 0.91 -0.21 1.19 -0.73 0.00 0.00 179.01 180.22 3duf n PHE 47 N -3.31 0.00 0.00 0.92 3.72 -0.25 -5.12 117.46 113.42 3duf n PHE 47 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3duf n PHE 47 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 0.88 -0.50 0.01 1.37 0.00 0.74 -4.30 105.19 103.39 3duf n GLY 48 Ca 0.04 -1.64 0.05 0.00 0.00 0.00 0.00 46.02 44.47 3duf n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3duf n GLU 49 N -0.24 0.01 0.12 1.61 2.13 -1.26 -2.09 120.64 120.93 3duf n GLU 49 Ca 0.00 0.34 0.00 0.00 0.66 0.00 0.00 57.16 58.16 3duf n GLU 49 Cb 0.00 -1.52 0.03 0.00 0.27 0.00 0.00 31.44 30.22 3duf n GLU 49 CO 0.00 0.00 0.00 0.38 -0.41 0.00 0.00 177.13 177.10 3duf h ASP 50 N 0.00 0.00 0.00 4.31 2.03 -1.94 -3.37 116.42 117.45 3duf h ASP 50 Ca 0.00 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.00 3duf h ASP 50 Cb 0.18 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 38.62 3duf h ASP 50 CO 0.00 0.63 -2.13 0.54 -1.03 0.00 0.00 179.24 177.26 3duf n ARG 51 N -3.33 1.23 -3.86 4.15 5.12 -0.89 -4.91 116.66 114.18 3duf n ARG 51 Ca 0.01 0.01 -0.29 0.00 -1.93 0.00 0.00 57.85 55.64 3duf n ARG 51 Cb 0.76 -1.42 -0.16 0.00 -1.16 0.00 0.00 32.46 30.48 3duf n ARG 51 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3duf s VAL 52 N -2.40 1.18 0.19 1.55 1.01 -0.97 -0.55 120.40 120.42 3duf s VAL 52 Ca -0.11 -1.06 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 3duf s VAL 52 Cb 0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3duf s VAL 52 CO 0.65 -0.20 0.22 0.72 0.00 0.00 0.00 175.10 176.49 3duf s PHE 53 N 1.54 0.79 0.28 5.22 -0.71 -0.78 -4.32 117.98 120.00 3duf s PHE 53 Ca -0.03 -1.09 0.06 0.00 -1.04 0.00 0.00 56.93 54.82 3duf s PHE 53 Cb -0.18 -0.29 -0.02 0.00 -1.21 0.00 0.00 43.02 41.31 3duf s PHE 53 CO -0.08 -0.70 0.40 -0.51 -1.34 0.00 0.00 175.22 172.99 3duf s ASP 54 N -3.07 6.19 0.22 1.98 1.01 -1.26 -3.07 116.67 118.66 3duf s ASP 54 Ca 0.28 -0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.53 3duf s ASP 54 Cb 0.05 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.30 3duf s ASP 54 CO 0.07 -0.21 0.09 0.42 0.21 0.00 0.00 175.17 175.75 3duf s THR 55 N -2.06 0.33 1.01 -1.27 -4.23 -1.17 -4.86 115.64 103.40 3duf s THR 55 Ca 0.38 -1.99 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3duf s THR 55 Cb -0.09 -2.48 0.20 0.00 1.34 0.00 0.00 72.50 71.47 3duf s THR 55 CO 0.30 -0.10 1.09 -2.84 -0.54 0.00 0.00 174.62 172.54 3duf s PRO 56 N -4.07 0.27 -0.90 3.99 0.02 -1.26 -4.72 135.00 128.33 3duf s PRO 56 Ca 0.35 1.20 -0.23 0.00 0.02 0.00 0.00 61.00 62.34 3duf s PRO 56 Cb 0.07 -1.67 0.06 0.00 0.02 0.00 0.00 34.50 32.99 3duf s PRO 56 CO 0.11 -3.03 1.29 -1.17 -0.33 0.00 0.00 177.00 173.87 3duf s LEU 57 N -6.81 3.85 -0.30 -5.54 0.20 -1.26 -4.85 118.68 103.98 3duf s LEU 57 Ca 0.67 -1.31 -0.08 0.00 0.69 0.00 0.00 54.13 54.10 3duf s LEU 57 Cb -0.23 -2.52 0.19 0.00 -0.43 0.00 0.00 46.19 43.20 3duf s LEU 57 CO 0.61 -1.48 0.94 0.00 -0.29 0.00 0.00 176.35 176.13 3duf s ALA 58 N 4.56 -3.62 0.23 5.97 0.00 -1.26 -5.05 121.76 122.59 3duf s ALA 58 Ca 0.38 1.31 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 3duf s ALA 58 Cb -0.05 -2.73 0.36 0.00 0.00 0.00 0.00 23.12 20.70 3duf s ALA 58 CO -0.02 -1.97 1.77 0.93 0.00 0.00 0.00 175.76 176.47 3duf h GLU 59 N 7.49 0.57 -0.99 0.00 3.07 -1.89 -0.69 114.58 122.14 3duf h GLU 59 Ca -0.08 -0.03 0.11 0.00 -0.50 0.00 0.00 59.36 58.85 3duf h GLU 59 Cb 1.18 -0.13 -0.08 0.00 -0.84 0.00 0.00 28.75 28.88 3duf h GLU 59 CO -0.04 0.38 0.63 1.03 -1.40 0.00 0.00 179.01 179.61 3duf h SER 60 N 0.59 0.94 0.35 1.42 0.87 -1.94 -1.00 113.55 114.78 3duf h SER 60 Ca 0.36 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.83 3duf h SER 60 Cb 0.41 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3duf h SER 60 CO -0.29 0.52 -0.56 1.23 -0.53 0.00 0.00 176.83 177.21 3duf h GLY 61 N 1.02 0.24 1.02 5.77 0.00 -1.52 -1.92 103.07 107.67 3duf h GLY 61 Ca 0.48 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.45 3duf h GLY 61 CO -0.24 0.25 0.02 -2.22 0.00 0.00 0.00 176.54 174.36 3duf h ILE 62 N 0.17 1.26 -0.57 2.60 2.04 -0.57 -0.53 117.51 121.92 3duf h ILE 62 Ca -0.00 -1.05 -0.11 0.00 1.00 0.00 0.00 64.86 64.70 3duf h ILE 62 Cb 1.03 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3duf h ILE 62 CO 0.09 0.37 -0.08 1.23 0.00 0.00 0.00 178.15 179.76 3duf h GLY 63 N 0.77 1.13 1.00 5.37 0.00 -1.14 -1.93 103.07 108.27 3duf h GLY 63 Ca 0.15 -0.89 -0.10 0.00 0.00 0.00 0.00 47.33 46.49 3duf h GLY 63 CO 0.02 0.81 -0.13 -1.33 0.00 0.00 0.00 176.54 175.92 3duf h GLY 64 N 0.95 0.88 0.34 4.60 0.00 -1.23 -2.69 103.07 105.92 3duf h GLY 64 Ca 0.15 -0.74 0.05 0.00 0.00 0.00 0.00 47.33 46.79 3duf h GLY 64 CO 0.04 0.68 -0.19 -2.00 0.00 0.00 0.00 176.54 175.07 3duf h LEU 65 N 0.62 -0.61 -1.08 3.11 5.85 -0.91 -1.24 115.31 121.05 3duf h LEU 65 Ca 0.10 0.11 0.11 0.00 0.84 0.00 0.00 57.88 59.04 3duf h LEU 65 Cb 0.67 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 41.91 3duf h LEU 65 CO 0.05 -0.24 0.62 0.00 -0.34 0.00 0.00 178.44 178.52 3duf h ALA 66 N 0.81 1.56 0.30 1.25 0.00 -1.24 -0.88 119.26 121.06 3duf h ALA 66 Ca 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3duf h ALA 66 Cb 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3duf h ALA 66 CO -0.30 0.23 -0.14 0.82 0.00 0.00 0.00 179.25 179.86 3duf h ILE 67 N 0.98 0.73 -0.31 0.00 2.04 -0.92 -2.11 117.51 117.91 3duf h ILE 67 Ca 0.46 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 66.13 3duf h ILE 67 Cb 0.43 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 3duf h ILE 67 CO -0.22 0.05 0.07 1.23 0.00 0.00 0.00 178.15 179.27 3duf h GLY 68 N -0.53 0.36 0.25 5.37 0.00 -0.89 -1.73 103.07 105.90 3duf h GLY 68 Ca -0.04 -0.02 0.12 0.00 0.00 0.00 0.00 47.33 47.38 3duf h GLY 68 CO 0.07 -0.01 0.24 1.41 0.00 0.00 0.00 176.54 178.24 3duf h LEU 69 N 0.18 0.20 -1.44 3.11 3.38 -1.12 0.12 115.31 119.76 3duf h LEU 69 Ca 0.14 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3duf h LEU 69 Cb 0.15 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3duf h LEU 69 CO -0.19 0.10 -0.10 0.00 0.09 0.00 0.00 178.44 178.35 3duf h ALA 70 N 1.48 1.04 0.00 1.53 0.00 -0.89 -0.95 119.26 121.47 3duf h ALA 70 Ca 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 3duf h ALA 70 Cb 0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3duf h ALA 70 CO -0.37 0.12 -0.02 -0.07 0.00 0.00 0.00 179.25 178.91 3duf h LEU 71 N 0.00 0.00 -3.75 0.00 3.38 -0.09 -2.84 115.31 112.01 3duf h LEU 71 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3duf h LEU 71 Cb 0.56 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.13 3duf h LEU 71 CO 0.01 0.02 0.34 0.00 0.09 0.00 0.00 178.44 178.90 3duf n GLN 72 N -3.11 2.95 -0.39 1.13 1.13 -0.40 -4.95 117.38 113.74 3duf n GLN 72 Ca 0.02 -3.07 0.00 0.00 -1.94 0.00 0.00 57.00 52.01 3duf n GLN 72 Cb 0.40 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.62 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 -0.64 2.01 3.81 1.08 0.00 -1.07 -5.04 105.19 105.34 3duf n GLY 73 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.31 2.02 -0.57 1.61 0.08 -0.99 -4.96 117.98 111.86 3duf s PHE 74 Ca 0.00 0.64 0.04 0.00 0.12 0.00 0.00 56.93 57.73 3duf s PHE 74 Cb 0.00 -3.61 0.17 0.00 -0.57 0.00 0.00 43.02 39.01 3duf s PHE 74 CO 0.00 -2.59 0.42 0.50 -0.10 0.00 0.00 175.22 173.45 3duf s ARG 75 N -5.51 1.77 0.30 0.44 3.52 -0.05 -4.41 118.95 115.00 3duf s ARG 75 Ca 0.67 -2.78 -0.29 0.00 -0.13 0.00 0.00 55.73 53.20 3duf s ARG 75 Cb -0.10 -2.53 -0.11 0.00 -1.56 0.00 0.00 34.95 30.65 3duf s ARG 75 CO 0.53 -1.33 1.48 -2.14 -0.81 0.00 0.00 175.30 173.03 3duf s PRO 76 N -0.76 4.20 -0.51 5.12 0.02 -1.25 -2.83 135.00 138.99 3duf s PRO 76 Ca 0.28 2.43 0.06 0.00 0.02 0.00 0.00 61.00 63.79 3duf s PRO 76 Cb -0.01 -3.05 0.23 0.00 0.02 0.00 0.00 34.50 31.69 3duf s PRO 76 CO -0.18 -0.47 0.58 0.28 -0.33 0.00 0.00 177.00 176.88 3duf n VAL 77 N 1.71 0.57 -1.47 3.83 0.31 0.28 -1.93 118.33 121.64 3duf n VAL 77 Ca 0.05 -4.46 -0.30 0.00 -0.01 0.00 0.00 64.34 59.61 3duf n VAL 77 Cb 0.39 -2.00 0.08 0.00 -0.91 0.00 0.00 33.84 31.41 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 -1.52 2.33 -0.03 5.55 0.04 -1.13 -3.48 135.00 136.76 3duf s PRO 78 Ca 0.35 0.87 0.02 0.00 0.04 0.00 0.00 61.00 62.28 3duf s PRO 78 Cb 0.13 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.75 3duf s PRO 78 CO -0.09 -1.50 -0.06 -2.00 0.04 0.00 0.00 177.00 173.38 3duf s GLU 79 N -5.04 0.80 -0.24 4.56 2.12 -0.57 -1.84 118.70 118.48 3duf s GLU 79 Ca 0.60 -0.19 -0.08 0.00 0.36 0.00 0.00 54.97 55.66 3duf s GLU 79 Cb -0.15 -0.77 -0.03 0.00 0.26 0.00 0.00 34.13 33.43 3duf s GLU 79 CO 0.55 0.03 0.09 0.42 -0.54 0.00 0.00 175.26 175.81 3duf s ILE 80 N 0.45 4.53 0.37 -3.70 1.01 -0.88 -4.32 121.20 118.67 3duf s ILE 80 Ca -0.06 -0.10 0.17 0.00 0.00 0.00 0.00 60.65 60.66 3duf s ILE 80 Cb -0.10 -3.12 0.37 0.00 0.01 0.00 0.00 42.46 39.62 3duf s ILE 80 CO 0.00 0.34 1.71 -0.61 0.00 0.00 0.00 174.94 176.39 3duf h GLN 81 N 8.03 0.37 -2.76 2.79 4.15 -1.91 -3.39 115.11 122.40 3duf h GLN 81 Ca -0.37 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 58.90 3duf h GLN 81 Cb 1.18 -0.08 -0.24 0.00 0.21 0.00 0.00 27.48 28.55 3duf h GLN 81 CO 0.59 0.25 -0.24 -0.06 -1.93 0.00 0.00 178.83 177.44 3duf s PHE 82 N -5.58 -0.43 -1.29 3.99 0.08 -1.26 -4.47 117.98 109.02 3duf s PHE 82 Ca -0.09 1.04 0.14 0.00 0.12 0.00 0.00 56.93 58.13 3duf s PHE 82 Cb 0.28 0.15 0.66 0.00 -0.57 0.00 0.00 43.02 43.54 3duf s PHE 82 CO 0.80 -0.23 1.39 0.34 -0.10 0.00 0.00 175.22 177.42 3duf n PHE 83 N 2.73 0.00 1.19 0.36 7.35 -0.19 -1.86 117.46 127.04 3duf n PHE 83 Ca -0.14 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.68 3duf n PHE 83 Cb 0.57 -0.36 0.63 0.00 0.35 0.00 0.00 39.48 40.68 3duf n PHE 83 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3duf n GLY 84 N -0.11 -1.11 1.43 7.13 0.00 -1.26 -2.63 105.19 108.66 3duf n GLY 84 Ca 0.05 -0.12 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3duf n GLY 84 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3duf n PHE 85 N -1.28 1.36 0.22 1.61 3.72 -0.78 -4.38 117.46 117.92 3duf n PHE 85 Ca 0.12 -0.64 0.10 0.00 -0.05 0.00 0.00 57.45 56.98 3duf n PHE 85 Cb 0.20 -0.25 0.39 0.00 -0.94 0.00 0.00 39.48 38.88 3duf n PHE 85 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3duf h VAL 86 N 3.62 0.45 -0.90 -4.37 3.04 -1.70 -2.96 116.25 113.42 3duf h VAL 86 Ca 0.00 -1.18 0.15 0.00 -1.01 0.00 0.00 66.70 64.66 3duf h VAL 86 Cb 1.41 1.86 -0.07 0.00 -2.01 0.00 0.00 31.29 32.47 3duf h VAL 86 CO 0.22 0.20 0.58 1.88 -1.01 0.00 0.00 177.57 179.44 3duf h TYR 87 N 0.00 0.83 0.00 3.17 0.05 -1.84 0.33 116.97 119.50 3duf h TYR 87 Ca -0.00 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 3duf h TYR 87 Cb 0.84 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 38.32 3duf h TYR 87 CO 0.00 0.29 -0.04 0.93 -1.05 0.00 0.00 178.16 178.29 3duf h GLU 88 N 0.69 0.00 0.00 4.88 3.07 -1.86 -3.19 114.58 118.17 3duf h GLU 88 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 3duf h GLU 88 Cb 0.76 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 3duf h GLU 88 CO -0.22 0.04 -0.07 1.55 -1.40 0.00 0.00 179.01 178.91 3duf n VAL 89 N -3.63 1.38 -0.35 3.13 3.14 0.11 -3.99 118.33 118.12 3duf n VAL 89 Ca -0.03 -1.61 0.12 0.00 -2.96 0.00 0.00 64.34 59.86 3duf n VAL 89 Cb 0.13 0.06 0.31 0.00 -1.06 0.00 0.00 33.84 33.28 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 0.00 0.74 -0.28 1.45 2.86 -1.30 -2.61 114.93 115.79 3duf h MET 90 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3duf h MET 90 Cb 0.95 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 3duf h MET 90 CO 0.00 0.49 0.10 0.22 1.06 0.00 0.00 176.91 178.78 3duf h ASP 91 N 0.76 0.40 0.11 1.22 3.58 -1.88 -1.08 116.42 119.54 3duf h ASP 91 Ca 0.56 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.82 3duf h ASP 91 Cb 0.85 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.80 3duf h ASP 91 CO -0.38 0.47 -0.06 0.28 -2.88 0.00 0.00 179.24 176.68 3duf h SER 92 N 0.30 -0.13 0.55 2.28 0.02 -1.83 0.31 113.55 115.05 3duf h SER 92 Ca 0.09 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3duf h SER 92 Cb 0.21 0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.79 3duf h SER 92 CO -0.01 -0.09 -0.26 0.40 -1.14 0.00 0.00 176.83 175.73 3duf h ILE 93 N -0.16 0.00 0.07 3.27 2.04 -1.49 -0.14 117.51 121.10 3duf h ILE 93 Ca -0.02 -0.07 -0.28 0.00 1.00 0.00 0.00 64.86 65.49 3duf h ILE 93 Cb 0.12 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 3duf h ILE 93 CO 0.03 0.00 -1.43 0.00 0.00 0.00 0.00 178.15 176.74 3duf n GLY 95 N 1.57 -0.80 0.00 0.00 0.00 0.95 -4.63 105.19 102.27 3duf n GLY 95 Ca -0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.95 0.00 0.22 1.61 1.13 -0.28 -4.85 117.38 114.25 3duf n GLN 96 Ca 0.09 0.00 0.15 0.00 -1.94 0.00 0.00 57.00 55.30 3duf n GLN 96 Cb 0.35 0.00 0.79 0.00 0.11 0.00 0.00 30.24 31.50 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 0.00 -0.00 -1.09 -0.00 -1.09 -1.33 114.93 111.41 3duf h MET 97 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3duf h MET 97 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3duf h MET 97 CO 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 176.91 176.87 3duf n ALA 98 N -2.41 2.44 0.20 -3.00 0.00 -1.03 -3.52 120.51 113.19 3duf n ALA 98 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 53.44 53.34 3duf n ALA 98 Cb 0.24 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3duf n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3duf n ARG 99 N -1.49 2.11 -0.27 0.00 1.74 -0.56 -4.42 116.66 113.78 3duf n ARG 99 Ca 0.07 -0.46 -0.05 0.00 -0.77 0.00 0.00 57.85 56.64 3duf n ARG 99 Cb 0.34 -0.93 0.06 0.00 -1.02 0.00 0.00 32.46 30.90 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 0.55 1.22 -0.64 0.55 2.04 -1.46 0.53 117.51 120.29 3duf h ILE 100 Ca 0.00 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.26 3duf h ILE 100 Cb 0.16 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3duf h ILE 100 CO 0.00 0.25 0.23 -0.09 0.00 0.00 0.00 178.15 178.54 3duf h ARG 101 N 1.02 0.98 -0.25 2.37 2.43 -1.83 -1.63 114.38 117.47 3duf h ARG 101 Ca 0.26 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3duf h ARG 101 Cb 0.03 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3duf h ARG 101 CO -0.04 0.85 -0.00 -0.92 -1.51 0.00 0.00 179.97 178.34 3duf h TYR 102 N 0.92 0.49 0.00 2.20 5.03 -1.78 -0.05 116.97 123.78 3duf h TYR 102 Ca 0.21 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.44 3duf h TYR 102 Cb 0.25 -0.13 0.00 0.00 1.55 0.00 0.00 36.73 38.41 3duf h TYR 102 CO 0.02 0.61 0.00 -0.09 -1.32 0.00 0.00 178.16 177.38 3duf h ARG 103 N 0.22 0.00 -0.09 1.82 2.43 0.28 -2.72 114.38 116.33 3duf h ARG 103 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3duf h ARG 103 Cb 0.42 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 3duf h ARG 103 CO 0.01 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 178.72 3duf n THR 104 N -2.56 1.77 -3.62 0.20 -2.24 -0.63 -4.98 114.28 102.21 3duf n THR 104 Ca 0.00 -1.87 -0.27 0.00 -2.27 0.00 0.00 64.05 59.64 3duf n THR 104 Cb 0.19 -0.07 -0.01 0.00 -2.10 0.00 0.00 70.33 68.35 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 -0.92 -0.47 0.87 3.38 0.00 -0.97 -0.41 105.19 106.65 3duf n GLY 105 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.22 3.23 0.28 -0.02 0.00 -0.07 -4.94 105.19 102.44 3duf n GLY 106 Ca 0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 1.75 0.21 -6.18 1.61 9.65 -0.99 -3.41 114.38 117.02 3duf h ARG 107 Ca 0.00 -0.01 -0.58 0.00 -1.10 0.00 0.00 59.98 58.28 3duf h ARG 107 Cb 0.00 -0.05 -0.16 0.00 -1.39 0.00 0.00 29.97 28.37 3duf h ARG 107 CO 0.00 0.14 -0.78 0.71 2.80 0.00 0.00 179.97 182.84 3duf s TYR 108 N -6.05 2.12 0.16 2.20 2.02 -1.26 -5.12 117.35 111.42 3duf s TYR 108 Ca -0.13 -0.40 -0.04 0.00 -0.37 0.00 0.00 57.07 56.13 3duf s TYR 108 Cb 0.22 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.76 3duf s TYR 108 CO 0.76 0.53 0.16 -3.38 -1.57 0.00 0.00 175.55 172.04 3duf s HIS 109 N -2.23 0.76 -0.56 2.71 -3.43 -1.26 -3.73 115.29 107.55 3duf s HIS 109 Ca 0.23 -1.10 0.04 0.00 -0.80 0.00 0.00 55.06 53.43 3duf s HIS 109 Cb -0.05 -0.34 0.14 0.00 -1.43 0.00 0.00 32.58 30.90 3duf s HIS 109 CO 0.11 -0.62 0.33 -1.64 -2.00 0.00 0.00 174.74 170.91 3duf s MET 110 N -4.05 1.98 -1.49 -0.38 -1.94 -1.24 -4.75 119.30 107.44 3duf s MET 110 Ca 0.25 -2.73 -0.12 0.00 -1.71 0.00 0.00 55.69 51.37 3duf s MET 110 Cb 0.06 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.74 3duf s MET 110 CO 0.04 -1.18 2.53 -0.35 -0.01 0.00 0.00 175.02 176.05 3duf n PRO 111 N 2.82 3.15 -4.68 2.03 -0.04 -1.14 -2.27 135.00 134.87 3duf n PRO 111 Ca 0.11 -2.38 -0.32 0.00 -0.04 0.00 0.00 63.50 60.88 3duf n PRO 111 Cb 0.34 -3.05 -0.12 0.00 -0.04 0.00 0.00 33.50 30.63 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 2.83 3.04 -0.12 0.52 1.01 -1.26 -3.81 121.20 123.42 3duf s ILE 112 Ca 0.57 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 60.24 3duf s ILE 112 Cb 0.16 -2.27 0.02 0.00 0.01 0.00 0.00 42.46 40.38 3duf s ILE 112 CO -0.07 0.42 -0.09 -0.89 0.00 0.00 0.00 174.94 174.31 3duf s THR 113 N -0.89 1.10 -0.22 2.92 2.01 -0.81 -1.29 115.64 118.46 3duf s THR 113 Ca 0.14 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 3duf s THR 113 Cb -0.11 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.26 3duf s THR 113 CO 0.05 0.38 0.12 -0.63 -0.69 0.00 0.00 174.62 173.85 3duf s ILE 114 N 1.63 5.16 -0.09 1.82 1.01 0.23 -2.84 121.20 128.13 3duf s ILE 114 Ca 0.04 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.76 3duf s ILE 114 Cb -0.13 -3.38 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 3duf s ILE 114 CO -0.08 0.40 0.07 -0.13 0.00 0.00 0.00 174.94 175.20 3duf s ARG 115 N 0.76 3.18 -0.29 2.79 0.52 -0.77 -0.00 118.95 125.14 3duf s ARG 115 Ca 0.06 -0.31 -0.15 0.00 -0.52 0.00 0.00 55.73 54.81 3duf s ARG 115 Cb -0.13 -2.96 0.13 0.00 0.52 0.00 0.00 34.95 32.51 3duf s ARG 115 CO 0.02 0.73 0.86 0.45 0.02 0.00 0.00 175.30 177.37 3duf s SER 116 N -1.07 -0.72 0.40 0.23 0.15 -0.73 -2.07 113.70 109.89 3duf s SER 116 Ca 0.15 1.11 -0.20 0.00 0.70 0.00 0.00 55.95 57.71 3duf s SER 116 Cb -0.12 1.43 -0.10 0.00 -1.71 0.00 0.00 66.02 65.52 3duf s SER 116 CO 0.05 -0.17 0.90 -2.16 1.20 0.00 0.00 173.24 173.05 3duf s PRO 117 N 1.72 4.20 0.30 5.44 0.04 -1.26 -1.39 135.00 144.05 3duf s PRO 117 Ca -0.08 1.02 -0.20 0.00 0.04 0.00 0.00 61.00 61.78 3duf s PRO 117 Cb -0.05 -2.28 0.03 0.00 0.04 0.00 0.00 34.50 32.23 3duf s PRO 117 CO -0.17 0.04 0.73 -0.59 0.04 0.00 0.00 177.00 177.05 3duf s PHE 118 N -2.09 -0.14 0.00 0.56 -0.71 -0.59 -1.02 117.98 113.99 3duf s PHE 118 Ca 0.59 -0.35 0.00 0.00 -1.04 0.00 0.00 56.93 56.13 3duf s PHE 118 Cb -0.10 0.73 0.00 0.00 -1.21 0.00 0.00 43.02 42.44 3duf s PHE 118 CO 0.15 -1.29 0.00 0.41 -1.34 0.00 0.00 175.22 173.15 3duf n GLY 119 N -0.47 3.01 1.53 1.99 0.00 -1.02 -0.47 105.19 109.77 3duf n GLY 119 Ca -0.05 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.07 3duf n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 120 N -0.11 2.95 0.18 -0.02 0.00 -1.25 -4.36 105.19 102.57 3duf n GLY 120 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3duf n GLY 120 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3duf n GLY 121 N 2.33 0.83 0.06 -0.02 0.00 -1.26 -4.65 105.19 102.49 3duf n GLY 121 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.05 1.05 -3.15 1.61 0.24 -1.26 -5.05 118.33 109.72 3duf n VAL 122 Ca 0.00 -1.17 -0.20 0.00 -2.04 0.00 0.00 64.34 60.94 3duf n VAL 122 Cb 0.00 0.34 0.05 0.00 -1.47 0.00 0.00 33.84 32.76 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 -0.68 -2.04 -2.07 6.34 8.25 -1.26 -5.03 115.22 118.73 3duf n HIS 123 Ca 0.05 0.64 -0.29 0.00 -0.26 0.00 0.00 57.72 57.86 3duf n HIS 123 Cb 0.44 -4.19 0.03 0.00 1.12 0.00 0.00 29.99 27.39 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 -3.17 3.78 0.99 1.59 -4.23 -1.26 -4.96 115.64 108.38 3duf s THR 124 Ca 0.37 0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 61.11 3duf s THR 124 Cb -0.16 -3.55 0.19 0.00 1.34 0.00 0.00 72.50 70.32 3duf s THR 124 CO 0.46 -0.66 1.20 -2.16 -0.54 0.00 0.00 174.62 172.91 3duf s PRO 125 N -5.19 0.45 0.45 3.99 0.04 -1.26 -4.68 135.00 128.79 3duf s PRO 125 Ca 0.56 -0.05 -0.20 0.00 0.04 0.00 0.00 61.00 61.34 3duf s PRO 125 Cb -0.11 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 3duf s PRO 125 CO 0.50 -2.60 0.17 -1.91 0.04 0.00 0.00 177.00 173.20 3duf n GLU 126 N -3.97 0.16 -2.27 4.56 2.13 -1.26 -2.94 120.64 117.05 3duf n GLU 126 Ca 0.11 0.06 -0.14 0.00 0.66 0.00 0.00 57.16 57.85 3duf n GLU 126 Cb 0.59 -1.17 -0.02 0.00 0.27 0.00 0.00 31.44 31.12 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 1.98 -1.26 -0.03 4.31 4.77 -1.26 -4.84 117.00 120.67 3duf n LEU 127 Ca 0.11 0.18 0.01 0.00 -0.03 0.00 0.00 56.01 56.28 3duf n LEU 127 Cb 0.42 -2.27 -0.09 0.00 -2.33 0.00 0.00 43.42 39.15 3duf n LEU 127 CO 0.54 -0.24 -0.75 1.41 -1.33 0.00 0.00 177.39 177.02 3duf n HIS 128 N -3.26 0.00 0.58 -1.77 8.25 -1.15 -3.98 115.22 113.89 3duf n HIS 128 Ca -0.16 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.36 3duf n HIS 128 Cb 0.60 -0.42 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 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 -2.16 0.77 -4.43 0.41 7.64 -1.26 -4.41 113.62 110.17 3duf n SER 129 Ca -0.10 -0.74 -0.40 0.00 1.01 0.00 0.00 58.87 58.64 3duf n SER 129 Cb 0.58 1.07 0.02 0.00 -1.01 0.00 0.00 64.21 64.87 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 -1.40 -1.37 -4.24 6.43 9.92 -1.26 -2.43 116.55 122.20 3duf n ASP 130 Ca 0.02 0.79 -0.38 0.00 -0.53 0.00 0.00 54.79 54.69 3duf n ASP 130 Cb 0.23 -1.10 -0.11 0.00 -0.64 0.00 0.00 41.12 39.50 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 -1.05 5.39 -0.02 -2.24 0.01 -1.26 -4.26 113.70 110.27 3duf s SER 131 Ca 0.65 -1.41 0.08 0.00 1.31 0.00 0.00 55.95 56.58 3duf s SER 131 Cb -0.51 -1.89 0.21 0.00 0.21 0.00 0.00 66.02 64.03 3duf s SER 131 CO 0.58 -0.43 1.17 0.18 0.41 0.00 0.00 173.24 175.15 3duf n LEU 132 N 4.80 2.64 0.26 2.44 4.77 -1.26 -4.64 117.00 126.01 3duf n LEU 132 Ca -0.10 -2.12 0.15 0.00 -0.03 0.00 0.00 56.01 53.91 3duf n LEU 132 Cb 0.43 -0.18 0.81 0.00 -2.33 0.00 0.00 43.42 42.16 3duf n LEU 132 CO 0.34 0.64 1.01 1.05 -1.33 0.00 0.00 177.39 179.10 3duf h GLU 133 N 1.20 0.00 -0.23 3.23 9.09 -1.97 0.33 114.58 126.22 3duf h GLU 133 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 3duf h GLU 133 Cb 0.71 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.80 3duf h GLU 133 CO 0.02 0.00 -0.16 0.78 0.05 0.00 0.00 179.01 179.70 3duf h GLY 134 N 0.00 0.43 0.72 1.06 0.00 -1.82 -1.41 103.07 102.04 3duf h GLY 134 Ca 0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3duf h GLY 134 CO 0.00 0.27 -0.17 1.41 0.00 0.00 0.00 176.54 178.06 3duf h LEU 135 N 0.37 -0.40 -1.63 3.11 3.38 -0.69 -3.16 115.31 116.29 3duf h LEU 135 Ca 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3duf h LEU 135 Cb 0.50 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3duf h LEU 135 CO 0.03 -0.06 -0.20 -0.37 0.09 0.00 0.00 178.44 177.92 3duf h VAL 136 N -0.76 0.83 0.00 1.22 -1.51 -1.60 -1.97 116.25 112.47 3duf h VAL 136 Ca -0.05 -0.79 0.00 0.00 -1.23 0.00 0.00 66.70 64.63 3duf h VAL 136 Cb 0.51 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 3duf h VAL 136 CO 0.08 0.20 0.00 0.00 -1.23 0.00 0.00 177.57 176.62 3duf n ALA 137 N -2.36 1.41 1.28 5.19 0.00 -0.54 -2.57 120.51 122.93 3duf n ALA 137 Ca -0.02 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3duf n ALA 137 Cb 0.30 -1.33 0.35 0.00 0.00 0.00 0.00 19.45 18.77 3duf n ALA 137 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3duf n GLN 138 N -2.16 1.38 -3.58 0.00 6.02 -0.74 -4.85 117.38 113.45 3duf n GLN 138 Ca 0.01 -0.91 -0.41 0.00 -0.01 0.00 0.00 57.00 55.68 3duf n GLN 138 Cb 0.14 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 29.81 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 -2.25 2.89 0.30 -1.09 2.00 -1.06 -5.06 119.66 115.38 3duf s GLN 139 Ca 0.29 -1.04 -0.29 0.00 -2.00 0.00 0.00 55.36 52.32 3duf s GLN 139 Cb 0.20 -3.76 -0.13 0.00 0.80 0.00 0.00 33.01 30.11 3duf s GLN 139 CO 0.43 -0.69 1.25 -2.30 -0.50 0.00 0.00 175.29 173.48 3duf n PRO 140 N 5.02 1.88 0.00 1.67 -0.02 -1.26 -2.63 135.00 139.67 3duf n PRO 140 Ca -0.12 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3duf n PRO 140 Cb 0.46 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3duf n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3duf n GLY 141 N 1.27 0.52 3.52 -1.23 0.00 -1.26 -4.75 105.19 103.26 3duf n GLY 141 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 2.77 -0.06 0.99 1.43 -1.08 -4.39 118.68 118.35 3duf s LEU 142 Ca 0.00 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 3duf s LEU 142 Cb 0.00 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.94 3duf s LEU 142 CO 0.00 0.03 -0.07 -0.54 0.23 0.00 0.00 176.35 176.01 3duf s LYS 143 N -3.49 1.15 -0.15 1.70 1.02 -1.05 -4.70 119.74 114.22 3duf s LYS 143 Ca 0.30 -0.20 -0.01 0.00 0.02 0.00 0.00 55.97 56.08 3duf s LYS 143 Cb -0.06 -1.08 -0.01 0.00 -0.52 0.00 0.00 37.83 36.16 3duf s LYS 143 CO 0.16 -0.07 -0.12 0.08 -0.92 0.00 0.00 175.35 174.48 3duf s VAL 144 N 0.94 3.01 -0.03 3.17 1.01 -0.44 -0.93 120.40 127.14 3duf s VAL 144 Ca -0.10 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3duf s VAL 144 Cb -0.15 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3duf s VAL 144 CO 0.00 0.51 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 3duf s VAL 145 N 0.63 1.66 -0.33 2.92 1.01 0.09 -1.87 120.40 124.52 3duf s VAL 145 Ca -0.07 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3duf s VAL 145 Cb -0.15 -1.39 0.12 0.00 0.00 0.00 0.00 36.38 34.96 3duf s VAL 145 CO 0.03 0.47 0.18 -0.63 0.00 0.00 0.00 175.10 175.15 3duf s ILE 146 N -0.37 0.16 0.70 2.22 1.01 -1.14 -1.22 121.20 122.57 3duf s ILE 146 Ca 0.05 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.17 3duf s ILE 146 Cb -0.09 -1.14 0.02 0.00 0.01 0.00 0.00 42.46 41.26 3duf s ILE 146 CO 0.00 -0.88 1.08 -2.16 0.00 0.00 0.00 174.94 172.98 3duf s PRO 147 N 1.42 2.70 0.00 2.79 0.04 -1.26 -4.19 135.00 136.50 3duf s PRO 147 Ca 0.14 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.36 3duf s PRO 147 Cb -0.20 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.38 3duf s PRO 147 CO -0.13 -1.30 0.00 -1.13 0.04 0.00 0.00 177.00 174.48 3duf n SER 148 N -2.95 1.97 -4.24 6.66 3.41 -1.26 -4.60 113.62 112.60 3duf n SER 148 Ca 0.09 -0.20 -0.16 0.00 -0.26 0.00 0.00 58.87 58.34 3duf n SER 148 Cb 0.53 0.80 -0.10 0.00 -0.26 0.00 0.00 64.21 65.17 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 -1.19 1.24 0.19 6.66 -4.23 -1.26 -4.98 115.64 112.06 3duf s THR 149 Ca 0.00 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 58.49 3duf s THR 149 Cb 0.00 -1.70 0.11 0.00 1.34 0.00 0.00 72.50 72.25 3duf s THR 149 CO 0.00 -0.61 1.83 -0.65 -0.54 0.00 0.00 174.62 174.65 3duf h PRO 150 N 3.10 0.71 0.02 3.99 0.11 -1.90 0.70 132.00 138.73 3duf h PRO 150 Ca -0.38 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.70 3duf h PRO 150 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3duf h PRO 150 CO 0.58 0.47 -0.08 -0.92 -0.21 0.00 0.00 178.00 177.84 3duf h TYR 151 N 0.73 -0.20 -0.21 0.65 3.20 -1.91 -1.99 116.97 117.25 3duf h TYR 151 Ca 0.25 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 3duf h TYR 151 Cb 0.03 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3duf h TYR 151 CO -0.06 -0.12 -0.02 -0.44 -1.64 0.00 0.00 178.16 175.88 3duf h ASP 152 N -0.15 0.29 -0.60 -2.11 3.32 -1.92 -2.86 116.42 112.39 3duf h ASP 152 Ca 0.03 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 3duf h ASP 152 Cb 0.18 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3duf h ASP 152 CO -0.07 0.37 0.07 0.00 -1.72 0.00 0.00 179.24 177.89 3duf h ALA 153 N 1.67 0.81 -0.04 3.45 0.00 -0.16 -2.06 119.26 122.92 3duf h ALA 153 Ca 0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3duf h ALA 153 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3duf h ALA 153 CO 0.01 0.58 -0.17 -0.22 0.00 0.00 0.00 179.25 179.45 3duf h LYS 154 N 0.92 0.18 -0.62 0.00 3.64 -1.26 -2.92 116.57 116.52 3duf h LYS 154 Ca 0.18 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3duf h LYS 154 Cb 0.46 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3duf h LYS 154 CO 0.02 0.79 0.24 0.78 -2.27 0.00 0.00 179.45 179.01 3duf h GLY 155 N -0.38 0.98 1.15 5.01 0.00 -1.54 -2.86 103.07 105.43 3duf h GLY 155 Ca -0.01 -0.51 -0.22 0.00 0.00 0.00 0.00 47.33 46.59 3duf h GLY 155 CO 0.04 0.48 -0.76 1.41 0.00 0.00 0.00 176.54 177.71 3duf h LEU 156 N 0.90 0.93 -0.46 3.11 3.38 -1.46 -2.38 115.31 119.33 3duf h LEU 156 Ca 0.21 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3duf h LEU 156 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3duf h LEU 156 CO -0.02 1.41 0.22 0.25 0.09 0.00 0.00 178.44 180.39 3duf h LEU 157 N 0.51 0.60 -0.58 1.67 5.85 -1.47 0.94 115.31 122.84 3duf h LEU 157 Ca -0.05 -0.13 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3duf h LEU 157 Cb 1.39 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3duf h LEU 157 CO 0.16 0.57 0.37 0.40 -0.34 0.00 0.00 178.44 179.59 3duf h ILE 158 N 0.60 1.11 -0.25 4.05 2.04 -1.56 0.40 117.51 123.90 3duf h ILE 158 Ca 0.16 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 3duf h ILE 158 Cb 0.13 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3duf h ILE 158 CO -0.02 0.14 -0.22 0.28 0.00 0.00 0.00 178.15 178.32 3duf h SER 159 N 0.74 0.47 -0.22 1.72 0.02 -0.93 -2.14 113.55 113.21 3duf h SER 159 Ca 0.22 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.84 3duf h SER 159 Cb -0.04 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3duf h SER 159 CO -0.07 0.70 -0.57 0.00 -1.14 0.00 0.00 176.83 175.75 3duf h ALA 160 N 1.34 0.37 -0.22 3.77 0.00 0.19 -2.73 119.26 121.99 3duf h ALA 160 Ca 0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.35 3duf h ALA 160 Cb 0.62 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3duf h ALA 160 CO 0.04 0.60 -0.29 0.82 0.00 0.00 0.00 179.25 180.42 3duf h ILE 161 N 0.52 1.27 -0.01 0.00 2.04 -0.08 -3.15 117.51 118.11 3duf h ILE 161 Ca -0.01 -1.33 -0.16 0.00 1.00 0.00 0.00 64.86 64.36 3duf h ILE 161 Cb 1.19 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3duf h ILE 161 CO 0.12 0.42 -0.73 0.03 0.00 0.00 0.00 178.15 178.00 3duf h ARG 162 N 0.38 0.08 -6.68 2.37 3.08 -1.40 -3.46 114.38 108.75 3duf h ARG 162 Ca 0.05 -0.07 -0.58 0.00 0.07 0.00 0.00 59.98 59.46 3duf h ARG 162 Cb 0.71 0.02 0.15 0.00 0.08 0.00 0.00 29.97 30.92 3duf h ARG 162 CO 0.05 0.77 0.06 -3.47 -1.07 0.00 0.00 179.97 176.31 3duf n ASP 163 N -3.72 0.73 -1.17 7.04 -0.08 -1.03 -4.91 116.55 113.41 3duf n ASP 163 Ca -0.02 0.91 0.11 0.00 -1.51 0.00 0.00 54.79 54.28 3duf n ASP 163 Cb 0.70 -1.34 0.28 0.00 2.34 0.00 0.00 41.12 43.11 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 0.08 3.41 -4.38 1.67 3.02 -1.26 -4.67 115.26 113.13 3duf n ASN 164 Ca 0.11 -1.99 -0.21 0.00 -0.03 0.00 0.00 54.58 52.46 3duf n ASN 164 Cb 0.43 -0.40 -0.11 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.09 2.92 0.16 6.41 1.01 -1.25 -2.88 116.67 121.95 3duf s ASP 165 Ca 0.42 -0.96 -0.34 0.00 0.71 0.00 0.00 52.55 52.39 3duf s ASP 165 Cb 0.22 -0.19 -0.14 0.00 1.01 0.00 0.00 42.92 43.82 3duf s ASP 165 CO 0.30 -0.05 1.50 -2.65 0.21 0.00 0.00 175.17 174.47 3duf n PRO 166 N -0.17 1.94 -4.12 8.23 -0.02 -0.96 -4.39 135.00 135.51 3duf n PRO 166 Ca -0.09 0.70 -0.18 0.00 -2.02 0.00 0.00 63.50 61.90 3duf n PRO 166 Cb 0.59 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.63 0.43 -0.23 -1.45 1.01 -0.41 -2.51 120.40 117.86 3duf s VAL 167 Ca 0.78 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 62.58 3duf s VAL 167 Cb -0.72 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3duf s VAL 167 CO 0.42 0.18 0.07 -0.63 0.00 0.00 0.00 175.10 175.13 3duf s ILE 168 N 0.65 4.41 -0.44 2.22 1.01 -0.11 -0.60 121.20 128.34 3duf s ILE 168 Ca -0.08 -0.14 -0.07 0.00 0.00 0.00 0.00 60.65 60.35 3duf s ILE 168 Cb -0.11 -3.04 0.11 0.00 0.01 0.00 0.00 42.46 39.42 3duf s ILE 168 CO -0.00 0.36 0.29 0.12 0.00 0.00 0.00 174.94 175.71 3duf s PHE 169 N 1.33 3.46 -0.16 3.97 5.36 1.00 -0.73 117.98 132.21 3duf s PHE 169 Ca 0.05 -1.99 -0.21 0.00 -0.96 0.00 0.00 56.93 53.82 3duf s PHE 169 Cb -0.15 -3.34 -0.03 0.00 -0.34 0.00 0.00 43.02 39.17 3duf s PHE 169 CO 0.04 -0.97 0.62 -0.51 -1.46 0.00 0.00 175.22 172.93 3duf s LEU 170 N 1.30 4.20 -0.23 6.12 1.43 -0.36 -1.77 118.68 129.37 3duf s LEU 170 Ca 0.06 0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 54.05 3duf s LEU 170 Cb -0.25 -2.89 0.03 0.00 0.03 0.00 0.00 46.19 43.11 3duf s LEU 170 CO -0.01 -0.19 -0.10 -1.61 0.23 0.00 0.00 176.35 174.66 3duf s GLU 171 N 1.47 2.77 0.05 1.70 2.02 -0.48 -4.01 118.70 122.21 3duf s GLU 171 Ca 0.30 -1.01 -0.31 0.00 0.02 0.00 0.00 54.97 53.98 3duf s GLU 171 Cb -0.16 -2.87 -0.07 0.00 0.10 0.00 0.00 34.13 31.13 3duf s GLU 171 CO 0.12 -0.38 1.50 -1.58 0.02 0.00 0.00 175.26 174.93 3duf s HIS 172 N 1.28 2.77 0.39 1.61 2.46 -1.25 -1.54 115.29 121.01 3duf s HIS 172 Ca -0.00 0.65 0.12 0.00 0.47 0.00 0.00 55.06 56.30 3duf s HIS 172 Cb -0.16 -3.78 0.92 0.00 -0.13 0.00 0.00 32.58 29.43 3duf s HIS 172 CO -0.06 -2.98 1.91 -0.07 -2.47 0.00 0.00 174.74 171.07 3duf h LEU 173 N 8.13 0.52 -0.25 8.88 3.38 -1.04 -1.80 115.31 133.13 3duf h LEU 173 Ca -0.40 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3duf h LEU 173 Cb 1.19 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3duf h LEU 173 CO 0.91 0.28 -0.10 0.50 0.09 0.00 0.00 178.44 180.12 3duf h LYS 174 N 0.56 0.00 -0.00 1.13 3.64 -1.83 -3.25 116.57 116.82 3duf h LYS 174 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3duf h LYS 174 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3duf h LYS 174 CO -0.14 0.10 -0.54 1.28 -2.27 0.00 0.00 179.45 177.87 3duf n LEU 175 N -3.14 0.76 -0.16 5.20 4.77 -0.69 -4.11 117.00 119.64 3duf n LEU 175 Ca 0.03 -0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 55.81 3duf n LEU 175 Cb 0.53 -0.17 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3duf n LEU 175 CO 0.34 0.17 0.83 1.88 -1.33 0.00 0.00 177.39 179.29 3duf h TYR 176 N 0.35 -0.06 -0.41 -1.77 0.05 -1.56 -3.33 116.97 110.25 3duf h TYR 176 Ca 0.00 0.04 -0.28 0.00 0.05 0.00 0.00 58.73 58.54 3duf h TYR 176 Cb 0.51 0.10 -0.39 0.00 1.01 0.00 0.00 36.73 37.97 3duf h TYR 176 CO 0.00 -0.12 -1.03 0.54 -1.05 0.00 0.00 178.16 176.50 3duf n ARG 177 N -5.24 1.80 0.06 4.88 1.74 -1.26 -2.44 116.66 116.19 3duf n ARG 177 Ca 0.05 -3.40 0.11 0.00 -0.77 0.00 0.00 57.85 53.85 3duf n ARG 177 Cb 0.27 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 3duf n ARG 177 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3duf n SER 178 N -0.48 0.66 -3.56 0.55 3.41 -1.25 -4.98 113.62 107.96 3duf n SER 178 Ca 0.14 0.05 -0.12 0.00 -0.26 0.00 0.00 58.87 58.68 3duf n SER 178 Cb 0.88 0.61 -0.05 0.00 -0.26 0.00 0.00 64.21 65.38 3duf n SER 178 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3duf s PHE 179 N -3.26 -0.42 0.37 7.33 -0.71 -1.26 -5.14 117.98 114.88 3duf s PHE 179 Ca 0.02 0.71 0.02 0.00 -1.04 0.00 0.00 56.93 56.64 3duf s PHE 179 Cb 0.13 0.45 -0.02 0.00 -1.21 0.00 0.00 43.02 42.37 3duf s PHE 179 CO 0.78 -0.40 0.55 1.03 -1.34 0.00 0.00 175.22 175.85 3duf s ARG 180 N -1.20 3.26 -0.16 1.99 0.52 -1.26 -4.37 118.95 117.72 3duf s ARG 180 Ca -0.03 -0.58 -0.28 0.00 -0.52 0.00 0.00 55.73 54.32 3duf s ARG 180 Cb -0.00 -2.69 0.07 0.00 0.52 0.00 0.00 34.95 32.85 3duf s ARG 180 CO 0.03 0.02 0.71 -1.14 0.02 0.00 0.00 175.30 174.94 3duf s GLN 181 N -4.33 0.93 0.01 3.54 0.74 -0.23 -4.88 119.66 115.44 3duf s GLN 181 Ca 0.43 0.62 -0.30 0.00 0.05 0.00 0.00 55.36 56.16 3duf s GLN 181 Cb -0.10 0.45 -0.07 0.00 1.10 0.00 0.00 33.01 34.39 3duf s GLN 181 CO 0.35 -0.21 1.64 -2.00 -0.55 0.00 0.00 175.29 174.52 3duf s GLU 182 N -0.41 4.20 -0.13 1.67 2.56 -1.26 -0.86 118.70 124.47 3duf s GLU 182 Ca -0.05 2.24 -0.01 0.00 0.00 0.00 0.00 54.97 57.15 3duf s GLU 182 Cb -0.03 -3.79 0.03 0.00 2.00 0.00 0.00 34.13 32.35 3duf s GLU 182 CO 0.05 -0.78 -0.03 0.08 -0.56 0.00 0.00 175.26 174.02 3duf s VAL 183 N 3.31 0.80 0.23 3.70 1.01 -0.86 -4.81 120.40 123.78 3duf s VAL 183 Ca 0.73 -0.29 -0.31 0.00 0.00 0.00 0.00 61.98 62.11 3duf s VAL 183 Cb -0.36 -0.96 -0.14 0.00 0.00 0.00 0.00 36.38 34.92 3duf s VAL 183 CO 0.31 0.20 1.25 -2.65 0.00 0.00 0.00 175.10 174.22 3duf n PRO 184 N 5.00 1.64 -2.70 2.72 -0.02 -1.26 -1.92 135.00 138.46 3duf n PRO 184 Ca -0.10 0.58 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 3duf n PRO 184 Cb 0.49 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.78 3duf n PRO 184 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3duf s GLU 185 N -0.69 4.38 0.01 -0.52 8.01 -1.26 -4.89 118.70 123.75 3duf s GLU 185 Ca 0.67 1.37 0.00 0.00 0.01 0.00 0.00 54.97 57.02 3duf s GLU 185 Cb -0.72 -2.62 0.00 0.00 -4.31 0.00 0.00 34.13 26.49 3duf s GLU 185 CO 0.53 0.08 0.00 0.41 0.01 0.00 0.00 175.26 176.29 3duf n GLY 186 N 0.30 -3.94 3.80 -1.39 0.00 -1.26 -5.00 105.19 97.69 3duf n GLY 186 Ca 0.04 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.90 4.44 -0.16 1.61 -1.05 -1.26 -5.06 118.70 116.32 3duf s GLU 187 Ca 0.00 1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 55.64 3duf s GLU 187 Cb 0.00 -2.86 0.13 0.00 -0.44 0.00 0.00 34.13 30.96 3duf s GLU 187 CO 0.00 0.35 1.01 1.52 0.95 0.00 0.00 175.26 179.09 3duf s TYR 188 N -1.55 -0.35 0.14 4.83 -0.85 -1.26 -5.18 117.35 113.12 3duf s TYR 188 Ca 0.46 0.59 0.08 0.00 -0.52 0.00 0.00 57.07 57.68 3duf s TYR 188 Cb -0.18 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 3duf s TYR 188 CO 0.23 -0.33 -0.18 0.95 -1.52 0.00 0.00 175.55 174.69 3duf s THR 189 N -1.19 1.67 -0.17 -3.49 -4.23 -1.26 -4.45 115.64 102.51 3duf s THR 189 Ca -0.01 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.74 3duf s THR 189 Cb -0.00 -1.68 0.01 0.00 1.34 0.00 0.00 72.50 72.16 3duf s THR 189 CO 0.01 -0.27 -0.18 -0.63 -0.54 0.00 0.00 174.62 173.01 3duf s ILE 190 N -1.82 2.34 0.34 2.99 -1.09 -0.94 -4.96 121.20 118.06 3duf s ILE 190 Ca 0.11 -0.86 -0.27 0.00 -2.23 0.00 0.00 60.65 57.40 3duf s ILE 190 Cb -0.07 -1.99 -0.12 0.00 -1.58 0.00 0.00 42.46 38.70 3duf s ILE 190 CO 0.05 0.52 1.16 -2.65 -1.23 0.00 0.00 174.94 172.79 3duf n PRO 191 N 4.40 1.76 -2.84 2.79 -0.02 -1.26 -4.54 135.00 135.28 3duf n PRO 191 Ca -0.20 0.62 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 3duf n PRO 191 Cb 0.51 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.12 4.84 0.00 4.25 1.01 -1.26 -3.77 121.20 125.15 3duf s ILE 192 Ca 0.58 1.84 0.00 0.00 0.00 0.00 0.00 60.65 63.07 3duf s ILE 192 Cb -0.60 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 37.65 3duf s ILE 192 CO 0.60 0.24 0.00 0.61 0.00 0.00 0.00 174.94 176.39 3duf n GLY 193 N 2.78 0.94 3.05 6.18 0.00 -1.26 -5.00 105.19 111.87 3duf n GLY 193 Ca 0.02 -0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.33 2.46 0.79 1.61 2.47 -1.25 -4.14 119.74 121.35 3duf s LYS 194 Ca 0.00 -0.63 -0.07 0.00 -1.56 0.00 0.00 55.97 53.72 3duf s LYS 194 Cb 0.00 -2.20 0.13 0.00 -1.46 0.00 0.00 37.83 34.31 3duf s LYS 194 CO 0.00 -0.21 1.10 0.00 0.16 0.00 0.00 175.35 176.40 3duf s ALA 195 N 1.38 3.13 0.04 3.13 0.00 -1.23 -4.65 121.76 123.55 3duf s ALA 195 Ca 0.04 -1.38 -0.16 0.00 0.00 0.00 0.00 51.96 50.46 3duf s ALA 195 Cb -0.13 -2.38 0.03 0.00 0.00 0.00 0.00 23.12 20.64 3duf s ALA 195 CO -0.10 -1.72 0.36 0.16 0.00 0.00 0.00 175.76 174.46 3duf s ASP 196 N -4.73 -0.21 -0.32 0.00 -4.77 -0.61 -5.01 116.67 101.02 3duf s ASP 196 Ca 0.67 -0.06 -0.22 0.00 -3.30 0.00 0.00 52.55 49.64 3duf s ASP 196 Cb -0.06 0.39 -0.00 0.00 -1.09 0.00 0.00 42.92 42.15 3duf s ASP 196 CO 0.47 -0.62 0.71 -0.63 0.70 0.00 0.00 175.17 175.80 3duf s ILE 197 N -2.38 4.85 -0.02 2.11 1.01 -1.26 -0.95 121.20 124.57 3duf s ILE 197 Ca -0.06 0.97 -0.13 0.00 0.00 0.00 0.00 60.65 61.43 3duf s ILE 197 Cb -0.01 -4.09 -0.33 0.00 0.01 0.00 0.00 42.46 38.04 3duf s ILE 197 CO -0.02 -0.23 0.81 0.11 0.00 0.00 0.00 174.94 175.61 3duf h LYS 198 N 8.21 0.46 -3.99 2.79 1.79 -1.13 -3.45 116.57 121.25 3duf h LYS 198 Ca -0.25 -0.79 -0.40 0.00 -2.18 0.00 0.00 60.65 57.02 3duf h LYS 198 Cb 1.11 0.30 -0.34 0.00 -1.58 0.00 0.00 32.23 31.71 3duf h LYS 198 CO 0.85 1.38 -0.77 0.50 -1.08 0.00 0.00 179.45 180.33 3duf s ARG 199 N -2.59 0.77 0.16 3.15 3.52 -1.08 -4.97 118.95 117.92 3duf s ARG 199 Ca -0.13 -0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.10 3duf s ARG 199 Cb 0.05 -0.81 -0.07 0.00 -1.56 0.00 0.00 34.95 32.56 3duf s ARG 199 CO 0.90 -0.09 0.88 -2.00 -0.81 0.00 0.00 175.30 174.18 3duf s GLU 200 N 0.94 4.70 0.18 5.12 2.12 -1.26 -1.05 118.70 129.45 3duf s GLU 200 Ca -0.11 1.35 -0.11 0.00 0.36 0.00 0.00 54.97 56.46 3duf s GLU 200 Cb -0.14 -3.31 0.00 0.00 0.26 0.00 0.00 34.13 30.94 3duf s GLU 200 CO -0.00 0.42 0.36 0.20 -0.54 0.00 0.00 175.26 175.70 3duf s GLY 201 N -0.71 0.35 0.00 -1.50 0.00 -1.26 -4.62 107.32 99.58 3duf s GLY 201 Ca 0.41 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.40 3duf s GLY 201 CO 0.29 -0.68 0.00 0.58 0.00 0.00 0.00 173.10 173.29 3duf n LYS 202 N -0.26 3.18 -0.09 2.90 2.85 -0.95 -4.58 118.16 121.21 3duf n LYS 202 Ca -0.07 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.06 3duf n LYS 202 Cb 0.63 -0.65 -0.15 0.00 -0.65 0.00 0.00 35.03 34.21 3duf n LYS 202 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3duf n ASP 203 N -0.96 0.79 -3.68 -5.58 8.00 0.95 -4.48 116.55 111.58 3duf n ASP 203 Ca 0.00 0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.40 3duf n ASP 203 Cb 0.00 0.35 -0.08 0.00 -0.02 0.00 0.00 41.12 41.37 3duf n ASP 203 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3duf s ILE 204 N -2.52 0.00 -0.18 0.53 2.07 -1.15 -4.45 121.20 115.50 3duf s ILE 204 Ca -0.17 -0.02 -0.14 0.00 -1.41 0.00 0.00 60.65 58.92 3duf s ILE 204 Cb 0.07 -0.78 -0.05 0.00 0.13 0.00 0.00 42.46 41.83 3duf s ILE 204 CO 0.76 -0.01 0.29 -0.89 -1.91 0.00 0.00 174.94 173.19 3duf s THR 205 N 0.18 5.29 -0.26 4.00 2.01 -0.47 -0.13 115.64 126.26 3duf s THR 205 Ca -0.01 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.48 3duf s THR 205 Cb -0.04 -3.63 0.02 0.00 0.01 0.00 0.00 72.50 68.86 3duf s THR 205 CO 0.01 0.35 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.64 3duf s ILE 206 N 0.75 3.18 -0.24 1.82 1.01 0.55 -1.66 121.20 126.61 3duf s ILE 206 Ca 0.15 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.77 3duf s ILE 206 Cb -0.13 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 3duf s ILE 206 CO 0.05 0.16 0.16 -0.63 0.00 0.00 0.00 174.94 174.68 3duf s ILE 207 N 1.37 5.36 0.23 2.92 1.01 -0.46 -1.71 121.20 129.92 3duf s ILE 207 Ca 0.01 0.18 -0.12 0.00 0.00 0.00 0.00 60.65 60.72 3duf s ILE 207 Cb -0.17 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 3duf s ILE 207 CO -0.03 0.35 0.44 0.00 0.00 0.00 0.00 174.94 175.71 3duf s ALA 208 N 1.04 -0.21 0.19 9.38 0.00 -1.01 -0.10 121.76 131.05 3duf s ALA 208 Ca 0.08 -0.86 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 3duf s ALA 208 Cb -0.13 1.04 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 3duf s ALA 208 CO 0.04 -0.82 0.36 1.52 0.00 0.00 0.00 175.76 176.86 3duf s TYR 209 N -4.01 0.35 0.00 0.00 1.13 -1.26 -2.07 117.35 111.50 3duf s TYR 209 Ca 0.22 -0.70 0.00 0.00 -1.41 0.00 0.00 57.07 55.17 3duf s TYR 209 Cb 0.00 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.90 3duf s TYR 209 CO 0.07 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.71 3duf n GLY 210 N -0.27 2.33 0.08 5.49 0.00 -1.26 -2.57 105.19 108.98 3duf n GLY 210 Ca -0.06 -0.49 0.15 0.00 0.00 0.00 0.00 46.02 45.63 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 9.10 2.65 0.55 4.61 0.00 -1.26 -3.35 120.51 132.80 3duf n ALA 211 Ca 0.00 -0.23 0.13 0.00 0.00 0.00 0.00 53.44 53.34 3duf n ALA 211 Cb 0.00 -1.44 0.32 0.00 0.00 0.00 0.00 19.45 18.33 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 0.38 0.00 -0.31 0.00 2.07 -1.85 -3.25 114.93 111.96 3duf h MET 212 Ca 0.00 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.59 3duf h MET 212 Cb 0.17 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.89 3duf h MET 212 CO 0.00 0.00 0.06 0.28 1.07 0.00 0.00 176.91 178.32 3duf h VAL 213 N 0.00 1.23 0.04 -2.22 2.07 -1.69 0.25 116.25 115.93 3duf h VAL 213 Ca 0.00 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 3duf h VAL 213 Cb 0.78 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3duf h VAL 213 CO 0.00 0.26 -0.02 -0.74 0.02 0.00 0.00 177.57 177.09 3duf h HIS 214 N 0.34 -0.06 -0.83 1.57 -0.00 -1.79 0.17 115.15 114.55 3duf h HIS 214 Ca 0.10 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.52 3duf h HIS 214 Cb 0.33 0.02 -0.06 0.00 -0.00 0.00 0.00 27.41 27.70 3duf h HIS 214 CO 0.02 -0.04 0.51 0.93 -0.00 0.00 0.00 177.93 179.35 3duf h GLU 215 N -0.06 0.92 -0.63 5.26 4.39 -1.56 -0.54 114.58 122.36 3duf h GLU 215 Ca -0.00 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3duf h GLU 215 Cb 0.05 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 3duf h GLU 215 CO 0.00 0.61 0.23 0.77 -1.16 0.00 0.00 179.01 179.46 3duf h SER 216 N 0.95 0.85 -0.11 1.42 0.02 -0.54 -1.35 113.55 114.80 3duf h SER 216 Ca 0.35 -0.13 -0.11 0.00 -0.84 0.00 0.00 61.79 61.07 3duf h SER 216 Cb 0.13 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3duf h SER 216 CO -0.16 0.78 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.97 3duf h LEU 217 N 0.91 0.58 -0.92 5.07 3.38 0.14 -0.33 115.31 124.13 3duf h LEU 217 Ca 0.21 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3duf h LEU 217 Cb 0.21 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3duf h LEU 217 CO -0.02 0.83 -0.53 0.11 0.09 0.00 0.00 178.44 178.93 3duf h LYS 218 N 0.49 0.00 0.05 1.13 1.57 -0.59 -1.93 116.57 117.29 3duf h LYS 218 Ca 0.07 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.57 3duf h LYS 218 Cb 0.73 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.06 3duf h LYS 218 CO 0.06 0.53 -1.11 0.00 -0.57 0.00 0.00 179.45 178.36 3duf h ALA 219 N 1.47 0.12 -0.71 3.86 0.00 -0.97 -2.99 119.26 120.05 3duf h ALA 219 Ca -0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 3duf h ALA 219 Cb 0.95 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3duf h ALA 219 CO 0.07 0.72 0.42 0.00 0.00 0.00 0.00 179.25 180.47 3duf h ALA 220 N 0.43 1.41 0.00 0.00 0.00 -0.87 0.27 119.26 120.52 3duf h ALA 220 Ca -0.14 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3duf h ALA 220 Cb 1.76 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 3duf h ALA 220 CO 0.21 0.51 -0.27 0.00 0.00 0.00 0.00 179.25 179.69 3duf h ALA 221 N 1.49 0.98 0.16 0.00 0.00 -1.36 -1.86 119.26 118.67 3duf h ALA 221 Ca 0.25 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 3duf h ALA 221 Cb -0.04 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3duf h ALA 221 CO -0.05 0.34 -1.10 0.93 0.00 0.00 0.00 179.25 179.38 3duf h GLU 222 N 0.00 0.34 0.00 0.00 4.39 -1.04 -3.29 114.58 114.98 3duf h GLU 222 Ca -0.00 -0.58 -0.00 0.00 0.34 0.00 0.00 59.36 59.12 3duf h GLU 222 Cb 0.84 0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3duf h GLU 222 CO 0.04 1.28 -0.01 -0.07 -1.16 0.00 0.00 179.01 179.08 3duf h LEU 223 N -0.25 0.00 -0.68 1.33 3.38 -0.42 -2.03 115.31 116.65 3duf h LEU 223 Ca -0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3duf h LEU 223 Cb 1.78 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.50 3duf h LEU 223 CO 0.16 0.01 0.28 -0.08 0.09 0.00 0.00 178.44 178.90 3duf h GLU 224 N 0.00 1.01 0.00 1.13 4.57 -1.33 -1.27 114.58 118.68 3duf h GLU 224 Ca -0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3duf h GLU 224 Cb 0.03 -0.17 0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3duf h GLU 224 CO 0.00 0.83 0.00 1.63 -1.18 0.00 0.00 179.01 180.29 3duf n LYS 225 N -4.40 0.01 0.00 1.92 5.02 -0.76 -0.78 118.16 119.17 3duf n LYS 225 Ca 0.05 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3duf n LYS 225 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.23 2.03 -0.53 1.97 1.02 -0.86 -5.00 120.64 118.04 3duf n GLU 226 Ca 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.93 3duf n GLU 226 Cb 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.36 0.75 3.55 0.62 0.00 0.04 -5.03 105.19 104.76 3duf n GLY 227 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.67 4.77 -0.71 -0.61 -1.09 -0.54 -4.99 121.20 115.37 3duf s ILE 228 Ca 0.00 0.43 -0.21 0.00 -2.23 0.00 0.00 60.65 58.64 3duf s ILE 228 Cb 0.00 -4.21 0.09 0.00 -1.58 0.00 0.00 42.46 36.76 3duf s ILE 228 CO 0.00 -0.54 0.95 -0.55 -1.23 0.00 0.00 174.94 173.57 3duf s SER 229 N 1.97 6.29 -0.07 3.58 0.15 -1.26 -3.33 113.70 121.02 3duf s SER 229 Ca 0.26 -1.36 -0.17 0.00 0.70 0.00 0.00 55.95 55.38 3duf s SER 229 Cb -0.13 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 3duf s SER 229 CO 0.19 -1.28 0.46 0.00 1.20 0.00 0.00 173.24 173.81 3duf s ALA 230 N 3.41 3.54 -0.24 5.45 0.00 -1.26 -0.04 121.76 132.62 3duf s ALA 230 Ca 0.22 -0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.88 3duf s ALA 230 Cb -0.15 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 3duf s ALA 230 CO 0.04 0.16 0.23 -2.00 0.00 0.00 0.00 175.76 174.19 3duf s GLU 231 N 0.05 4.06 -0.30 0.00 2.12 0.82 -4.13 118.70 121.32 3duf s GLU 231 Ca 0.25 -0.16 -0.09 0.00 0.36 0.00 0.00 54.97 55.33 3duf s GLU 231 Cb -0.16 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 3duf s GLU 231 CO 0.11 -0.04 0.15 0.08 -0.54 0.00 0.00 175.26 175.02 3duf s VAL 232 N 1.36 4.62 -0.17 3.70 1.01 -0.21 -0.33 120.40 130.38 3duf s VAL 232 Ca 0.10 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.69 3duf s VAL 232 Cb -0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 3duf s VAL 232 CO 0.07 0.11 -0.03 0.54 0.00 0.00 0.00 175.10 175.79 3duf s VAL 233 N 1.62 3.87 -0.27 2.92 0.11 -0.69 -0.45 120.40 127.50 3duf s VAL 233 Ca 0.05 -0.36 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 3duf s VAL 233 Cb -0.17 -2.71 -0.05 0.00 -1.53 0.00 0.00 36.38 31.93 3duf s VAL 233 CO 0.06 0.48 0.18 -0.62 -3.33 0.00 0.00 175.10 171.87 3duf s ASP 234 N 0.52 5.95 0.08 3.54 -1.08 -0.13 -2.40 116.67 123.16 3duf s ASP 234 Ca -0.03 -0.02 -0.23 0.00 -0.52 0.00 0.00 52.55 51.76 3duf s ASP 234 Cb -0.14 -2.10 -0.14 0.00 -1.46 0.00 0.00 42.92 39.08 3duf s ASP 234 CO 0.03 -0.04 1.70 -0.07 0.52 0.00 0.00 175.17 177.30 3duf h LEU 235 N 8.29 0.05 0.00 -1.34 3.38 -1.71 -1.63 115.31 122.35 3duf h LEU 235 Ca -0.36 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3duf h LEU 235 Cb 1.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3duf h LEU 235 CO 0.56 0.09 0.00 0.54 0.09 0.00 0.00 178.44 179.72 3duf n ARG 236 N -5.04 0.00 -3.69 1.13 1.74 -1.26 -3.56 116.66 105.98 3duf n ARG 236 Ca -0.06 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.80 3duf n ARG 236 Cb 0.05 -3.36 -0.18 0.00 -1.02 0.00 0.00 32.46 27.95 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 -0.39 0.03 -1.32 0.55 2.01 -1.26 -2.87 115.64 112.38 3duf s THR 237 Ca 0.00 0.24 0.26 0.00 0.31 0.00 0.00 61.69 62.50 3duf s THR 237 Cb 0.00 -0.33 0.13 0.00 0.01 0.00 0.00 72.50 72.31 3duf s THR 237 CO 0.00 0.12 1.50 1.33 -0.69 0.00 0.00 174.62 176.87 3duf n VAL 238 N 5.25 0.00 -3.15 3.82 0.24 -0.78 -4.47 118.33 119.24 3duf n VAL 238 Ca -0.05 -0.05 0.04 0.00 -2.04 0.00 0.00 64.34 62.24 3duf n VAL 238 Cb 0.50 0.28 -0.01 0.00 -1.47 0.00 0.00 33.84 33.14 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 -2.79 0.54 0.58 7.34 2.00 -1.18 -4.29 119.66 121.87 3duf s GLN 239 Ca 0.17 0.95 -0.14 0.00 -2.00 0.00 0.00 55.36 54.34 3duf s GLN 239 Cb 0.18 0.52 -0.05 0.00 0.80 0.00 0.00 33.01 34.47 3duf s GLN 239 CO 0.62 -0.60 1.02 -1.25 -0.50 0.00 0.00 175.29 174.57 3duf s PRO 240 N 2.87 3.64 0.34 1.67 0.04 -1.26 -1.33 135.00 140.96 3duf s PRO 240 Ca 0.19 0.92 -0.23 0.00 0.04 0.00 0.00 61.00 61.92 3duf s PRO 240 Cb -0.15 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 3duf s PRO 240 CO -0.20 -0.53 0.91 -0.51 0.04 0.00 0.00 177.00 176.70 3duf s LEU 241 N -4.64 4.23 -1.21 -3.56 1.43 -1.26 -4.56 118.68 109.10 3duf s LEU 241 Ca 0.58 1.72 -0.12 0.00 -1.03 0.00 0.00 54.13 55.28 3duf s LEU 241 Cb -0.12 -4.09 0.19 0.00 0.03 0.00 0.00 46.19 42.20 3duf s LEU 241 CO 0.42 -0.13 1.49 -0.67 0.23 0.00 0.00 176.35 177.69 3duf n ASP 242 N 0.24 5.28 -0.04 2.29 2.03 -1.26 -4.85 116.55 120.24 3duf n ASP 242 Ca 0.03 -3.03 -0.09 0.00 0.52 0.00 0.00 54.79 52.22 3duf n ASP 242 Cb 0.51 -1.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.37 3duf n ASP 242 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3duf h ILE 243 N 4.31 0.38 -0.99 5.18 1.08 -1.94 -2.59 117.51 122.94 3duf h ILE 243 Ca 0.31 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 65.00 3duf h ILE 243 Cb 0.81 0.38 -0.10 0.00 -3.07 0.00 0.00 36.82 34.85 3duf h ILE 243 CO 1.30 0.00 0.62 -0.33 -0.69 0.00 0.00 178.15 179.05 3duf h GLU 244 N -0.27 0.58 0.11 2.37 5.08 -1.98 0.12 114.58 120.58 3duf h GLU 244 Ca 0.13 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.16 3duf h GLU 244 Cb 0.47 -0.13 0.03 0.00 0.50 0.00 0.00 28.75 29.62 3duf h GLU 244 CO -0.38 0.39 -1.21 1.15 -1.00 0.00 0.00 179.01 177.95 3duf h THR 245 N 0.60 1.29 0.54 1.13 2.02 -1.92 -2.10 112.91 114.46 3duf h THR 245 Ca 0.56 -2.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 3duf h THR 245 Cb 1.10 2.67 0.01 0.00 -1.74 0.00 0.00 68.15 70.19 3duf h THR 245 CO -0.32 0.74 -0.26 0.40 0.37 0.00 0.00 175.52 176.45 3duf h ILE 246 N 0.27 0.35 -0.79 3.11 1.08 -0.89 -2.43 117.51 118.21 3duf h ILE 246 Ca -0.18 -0.36 0.04 0.00 -0.39 0.00 0.00 64.86 63.97 3duf h ILE 246 Cb 1.88 0.47 -0.05 0.00 -3.07 0.00 0.00 36.82 36.05 3duf h ILE 246 CO 0.23 0.05 0.50 0.40 -0.69 0.00 0.00 178.15 178.64 3duf h ILE 247 N -0.98 1.10 -0.11 -0.67 5.03 -0.95 -1.80 117.51 119.12 3duf h ILE 247 Ca -0.07 -0.33 -0.02 0.00 -0.12 0.00 0.00 64.86 64.32 3duf h ILE 247 Cb 0.63 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 34.47 3duf h ILE 247 CO 0.12 0.17 -0.00 1.23 -0.68 0.00 0.00 178.15 179.00 3duf h GLY 248 N 0.96 0.17 0.94 5.37 0.00 -1.38 -1.84 103.07 107.28 3duf h GLY 248 Ca 0.32 -0.07 -0.23 0.00 0.00 0.00 0.00 47.33 47.35 3duf h GLY 248 CO -0.13 0.07 -0.94 0.23 0.00 0.00 0.00 176.54 175.77 3duf h SER 249 N 0.16 0.65 0.21 0.19 0.87 -0.84 -3.28 113.55 111.51 3duf h SER 249 Ca 0.04 -0.85 -0.11 0.00 -1.23 0.00 0.00 61.79 59.64 3duf h SER 249 Cb 0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3duf h SER 249 CO 0.00 1.44 -0.40 0.58 -0.53 0.00 0.00 176.83 177.92 3duf h VAL 250 N -0.04 1.31 0.00 2.23 2.07 -1.18 -2.57 116.25 118.06 3duf h VAL 250 Ca -0.15 -1.50 -0.04 0.00 0.82 0.00 0.00 66.70 65.84 3duf h VAL 250 Cb 1.68 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 33.10 3duf h VAL 250 CO 0.18 0.45 -0.18 -0.33 0.02 0.00 0.00 177.57 177.71 3duf h GLU 251 N 0.22 0.00 0.19 1.57 5.08 -1.44 0.71 114.58 120.90 3duf h GLU 251 Ca 0.02 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.08 3duf h GLU 251 Cb 0.81 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.09 3duf h GLU 251 CO 0.06 0.18 -1.29 -0.22 -1.00 0.00 0.00 179.01 176.74 3duf h LYS 252 N 0.00 0.54 0.04 2.33 3.64 -1.52 -3.37 116.57 118.22 3duf h LYS 252 Ca -0.00 -0.83 -0.32 0.00 -1.27 0.00 0.00 60.65 58.22 3duf h LYS 252 Cb 0.48 0.30 -0.04 0.00 -0.41 0.00 0.00 32.23 32.55 3duf h LYS 252 CO 0.02 1.39 -1.87 0.25 -2.27 0.00 0.00 179.45 176.97 3duf n THR 253 N -3.82 1.64 0.00 1.00 -2.24 -1.09 -4.98 114.28 104.79 3duf n THR 253 Ca -0.15 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3duf n THR 253 Cb 1.01 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 1.72 2.77 3.23 3.38 0.00 0.25 -4.75 105.19 111.78 3duf n GLY 254 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.18 0.99 -0.05 1.61 0.52 -1.26 -1.57 118.95 119.01 3duf s ARG 255 Ca 0.00 -1.04 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 3duf s ARG 255 Cb 0.00 -1.12 0.09 0.00 0.52 0.00 0.00 34.95 34.43 3duf s ARG 255 CO 0.00 0.26 0.78 0.00 0.02 0.00 0.00 175.30 176.36 3duf s ALA 256 N -1.18 -1.80 0.06 2.13 0.00 -1.26 -1.37 121.76 118.35 3duf s ALA 256 Ca 0.03 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3duf s ALA 256 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3duf s ALA 256 CO 0.03 -0.43 -0.04 0.96 0.00 0.00 0.00 175.76 176.28 3duf s ILE 257 N -1.66 0.37 -0.02 0.00 -4.36 -0.67 -3.29 121.20 111.58 3duf s ILE 257 Ca -0.05 -1.72 0.07 0.00 -0.26 0.00 0.00 60.65 58.69 3duf s ILE 257 Cb -0.00 -1.39 -0.02 0.00 1.25 0.00 0.00 42.46 42.30 3duf s ILE 257 CO 0.03 -0.88 -0.23 -0.69 0.24 0.00 0.00 174.94 173.42 3duf s VAL 258 N -3.44 1.80 -0.09 8.37 1.01 -0.53 -1.36 120.40 126.16 3duf s VAL 258 Ca 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3duf s VAL 258 Cb 0.04 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3duf s VAL 258 CO -0.07 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.71 3duf s VAL 259 N -0.47 1.36 0.08 2.92 1.01 0.85 -1.17 120.40 124.99 3duf s VAL 259 Ca 0.07 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3duf s VAL 259 Cb -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 3duf s VAL 259 CO -0.00 0.41 -0.06 0.00 0.00 0.00 0.00 175.10 175.44 3duf s GLN 260 N 0.87 0.75 0.08 2.72 -2.07 -0.77 -4.11 119.66 117.15 3duf s GLN 260 Ca -0.10 -1.22 0.15 0.00 -1.82 0.00 0.00 55.36 52.37 3duf s GLN 260 Cb -0.15 -0.16 -0.12 0.00 -1.09 0.00 0.00 33.01 31.48 3duf s GLN 260 CO 0.01 -0.02 0.92 1.49 -1.32 0.00 0.00 175.29 176.37 3duf h GLU 261 N 3.24 0.00 -7.17 9.60 4.81 -1.91 -3.38 114.58 119.78 3duf h GLU 261 Ca -0.35 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.37 3duf h GLU 261 Cb 1.17 0.00 0.09 0.00 0.63 0.00 0.00 28.75 30.64 3duf h GLU 261 CO 0.61 0.39 0.39 0.00 -0.73 0.00 0.00 179.01 179.67 3duf s ALA 262 N -2.87 2.53 0.85 2.92 0.00 -1.26 -4.24 121.76 119.69 3duf s ALA 262 Ca -0.02 0.63 -0.14 0.00 0.00 0.00 0.00 51.96 52.43 3duf s ALA 262 Cb 0.08 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3duf s ALA 262 CO 0.80 -1.13 0.47 1.04 0.00 0.00 0.00 175.76 176.95 3duf n GLN 263 N -2.10 -0.01 -0.26 0.00 3.00 -1.26 -3.24 117.38 113.52 3duf n GLN 263 Ca 0.11 0.05 0.03 0.00 -0.01 0.00 0.00 57.00 57.18 3duf n GLN 263 Cb 0.52 -1.86 0.26 0.00 0.00 0.00 0.00 30.24 29.15 3duf n GLN 263 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 3duf h ARG 264 N -1.01 0.96 -0.00 -1.09 2.43 -1.70 -1.53 114.38 112.43 3duf h ARG 264 Ca -0.44 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3duf h ARG 264 Cb 1.31 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 3duf h ARG 264 CO 0.38 0.64 0.00 0.00 -1.51 0.00 0.00 179.97 179.48 3duf n GLN 265 N -4.46 1.02 -1.30 0.20 10.64 -1.26 -4.84 117.38 117.39 3duf n GLN 265 Ca 0.12 -0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.25 3duf n GLN 265 Cb 0.15 -1.40 0.00 0.00 -0.86 0.00 0.00 30.24 28.13 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 -0.87 0.00 -0.05 2.61 0.00 -0.58 -5.10 120.51 116.52 3duf n ALA 266 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3duf n ALA 266 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 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 3.22 -1.80 0.00 0.00 0.00 -1.26 -4.54 105.19 100.81 3duf n GLY 267 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.07 0.64 -0.25 -0.61 -6.64 -1.26 -4.57 119.36 106.60 3duf n ILE 268 Ca 0.00 -0.81 0.02 0.00 -1.77 0.00 0.00 62.75 60.19 3duf n ILE 268 Cb 0.00 0.69 0.14 0.00 -1.44 0.00 0.00 39.64 39.03 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 0.99 -0.95 -1.28 0.00 -1.95 -1.77 119.26 114.30 3duf h ALA 269 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3duf h ALA 269 Cb 0.33 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3duf h ALA 269 CO 0.00 -0.07 0.63 0.00 0.00 0.00 0.00 179.25 179.80 3duf h ALA 270 N 1.45 1.36 -0.30 0.00 0.00 -1.86 -1.06 119.26 118.84 3duf h ALA 270 Ca 0.36 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 3duf h ALA 270 Cb 0.40 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3duf h ALA 270 CO -0.29 0.57 -0.10 -0.91 0.00 0.00 0.00 179.25 178.53 3duf h ASN 271 N 1.24 0.48 -0.19 0.00 2.35 -1.69 -1.10 115.58 116.68 3duf h ASN 271 Ca 0.36 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.94 3duf h ASN 271 Cb -0.07 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3duf h ASN 271 CO -0.10 0.62 -0.09 0.58 -1.65 0.00 0.00 177.43 176.80 3duf h VAL 272 N 0.47 1.30 -0.57 2.81 2.07 -0.80 -1.92 116.25 119.61 3duf h VAL 272 Ca 0.09 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 3duf h VAL 272 Cb 0.46 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3duf h VAL 272 CO 0.03 0.34 0.16 0.58 0.02 0.00 0.00 177.57 178.70 3duf h VAL 273 N 0.10 1.22 -0.26 2.57 2.07 -1.05 -1.64 116.25 119.26 3duf h VAL 273 Ca 0.04 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3duf h VAL 273 Cb 0.56 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 3duf h VAL 273 CO 0.03 0.30 -0.10 0.00 0.02 0.00 0.00 177.57 177.82 3duf h ALA 274 N 1.35 0.36 -0.52 1.67 0.00 -1.11 -1.18 119.26 119.82 3duf h ALA 274 Ca 0.19 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3duf h ALA 274 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3duf h ALA 274 CO -0.01 0.20 0.08 0.93 0.00 0.00 0.00 179.25 180.45 3duf h GLU 275 N 0.25 0.87 0.17 0.00 4.39 -1.15 -2.51 114.58 116.60 3duf h GLU 275 Ca 0.06 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.53 3duf h GLU 275 Cb 0.59 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 3duf h GLU 275 CO 0.03 0.85 -0.18 0.82 -1.16 0.00 0.00 179.01 179.37 3duf h ILE 276 N 0.75 0.59 -0.99 3.13 2.04 -1.27 -2.89 117.51 118.87 3duf h ILE 276 Ca 0.16 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.12 3duf h ILE 276 Cb 0.41 0.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 3duf h ILE 276 CO 0.01 0.00 0.63 -1.13 0.00 0.00 0.00 178.15 177.67 3duf h ASN 277 N -0.39 0.95 -0.15 1.72 -1.24 -1.10 -0.87 115.58 114.50 3duf h ASN 277 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3duf h ASN 277 Cb 0.38 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3duf h ASN 277 CO -0.05 0.55 0.00 -1.84 -1.29 0.00 0.00 177.43 174.80 3duf n GLU 278 N -4.57 1.54 0.00 6.67 0.28 -0.96 -3.09 120.64 120.53 3duf n GLU 278 Ca 0.17 -0.83 0.00 0.00 -0.16 0.00 0.00 57.16 56.35 3duf n GLU 278 Cb 0.29 -1.33 0.00 0.00 1.43 0.00 0.00 31.44 31.83 3duf n GLU 278 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3duf n ARG 279 N 0.07 2.72 -0.38 3.44 1.74 -0.84 -4.89 116.66 118.52 3duf n ARG 279 Ca 0.14 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3duf n ARG 279 Cb 0.25 -0.77 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 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 -0.83 1.77 0.15 7.54 0.00 -0.39 -4.87 120.51 123.87 3duf n ALA 280 Ca 0.00 -0.75 0.17 0.00 0.00 0.00 0.00 53.44 52.86 3duf n ALA 280 Cb 0.01 -0.33 0.77 0.00 0.00 0.00 0.00 19.45 19.90 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 5.84 0.58 0.00 0.00 2.10 -1.62 0.14 117.51 124.55 3duf h ILE 281 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3duf h ILE 281 Cb 1.26 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 3duf h ILE 281 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 3duf n LEU 282 N -4.01 0.00 0.00 2.19 4.32 -1.26 -2.54 117.00 115.69 3duf n LEU 282 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 3duf n LEU 282 Cb 0.40 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3duf n LEU 282 CO 0.30 0.00 -0.12 -1.20 -1.22 0.00 0.00 177.39 175.15 3duf n SER 283 N -0.59 1.25 -4.70 -1.43 7.64 0.48 -5.03 113.62 111.23 3duf n SER 283 Ca 0.04 -0.30 -0.42 0.00 1.01 0.00 0.00 58.87 59.19 3duf n SER 283 Cb 0.02 0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 64.05 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 -1.97 4.34 0.11 -3.43 1.43 -1.05 -4.51 118.68 113.60 3duf s LEU 284 Ca 0.00 2.08 0.23 0.00 -1.03 0.00 0.00 54.13 55.41 3duf s LEU 284 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 3duf s LEU 284 CO 0.00 -0.60 0.99 -0.62 0.23 0.00 0.00 176.35 176.35 3duf n GLU 285 N 4.56 0.47 -3.91 1.70 -0.58 -0.61 -4.96 120.64 117.32 3duf n GLU 285 Ca 0.11 0.03 -0.09 0.00 -0.42 0.00 0.00 57.16 56.79 3duf n GLU 285 Cb 0.45 -1.69 -0.05 0.00 -0.57 0.00 0.00 31.44 29.58 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 -3.31 -0.43 0.44 0.62 0.00 -1.26 -5.05 121.76 112.78 3duf s ALA 286 Ca 0.01 -0.66 -0.23 0.00 0.00 0.00 0.00 51.96 51.08 3duf s ALA 286 Cb 0.12 0.95 -0.08 0.00 0.00 0.00 0.00 23.12 24.11 3duf s ALA 286 CO 0.80 -0.80 1.12 -1.25 0.00 0.00 0.00 175.76 175.63 3duf s PRO 287 N -3.96 3.88 -0.56 0.00 0.04 -1.26 -4.83 135.00 128.32 3duf s PRO 287 Ca 0.17 1.65 -0.28 0.00 0.04 0.00 0.00 61.00 62.58 3duf s PRO 287 Cb -0.00 -2.42 0.03 0.00 0.04 0.00 0.00 34.50 32.15 3duf s PRO 287 CO 0.03 -0.42 1.17 0.08 0.04 0.00 0.00 177.00 177.90 3duf s VAL 288 N -1.62 4.07 0.55 -0.36 1.01 -1.26 -4.77 120.40 118.03 3duf s VAL 288 Ca 0.62 0.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.49 3duf s VAL 288 Cb -0.25 -4.69 0.01 0.00 0.00 0.00 0.00 36.38 31.44 3duf s VAL 288 CO 0.31 -1.27 0.83 -0.76 0.00 0.00 0.00 175.10 174.21 3duf s LEU 289 N 4.81 3.34 -0.02 3.92 1.43 -1.21 -4.91 118.68 126.04 3duf s LEU 289 Ca 0.43 0.55 0.08 0.00 -1.03 0.00 0.00 54.13 54.15 3duf s LEU 289 Cb -0.08 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3duf s LEU 289 CO 0.26 -0.98 -0.26 -0.13 0.23 0.00 0.00 176.35 175.47 3duf s ARG 290 N -4.86 2.08 -0.23 1.70 0.52 -1.26 -1.45 118.95 115.44 3duf s ARG 290 Ca 0.53 -0.93 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3duf s ARG 290 Cb -0.10 -2.02 -0.00 0.00 0.52 0.00 0.00 34.95 33.35 3duf s ARG 290 CO 0.43 0.55 -0.04 0.08 0.02 0.00 0.00 175.30 176.34 3duf s VAL 291 N -0.61 3.33 0.23 3.52 1.01 -0.31 -4.97 120.40 122.60 3duf s VAL 291 Ca 0.10 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.33 3duf s VAL 291 Cb -0.10 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.72 3duf s VAL 291 CO -0.01 0.35 0.50 0.00 0.00 0.00 0.00 175.10 175.94 3duf s ALA 292 N 1.45 -0.50 0.62 5.51 0.00 -1.26 -1.84 121.76 125.75 3duf s ALA 292 Ca 0.05 -0.65 -0.11 0.00 0.00 0.00 0.00 51.96 51.24 3duf s ALA 292 Cb -0.15 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3duf s ALA 292 CO -0.03 -0.84 1.03 0.00 0.00 0.00 0.00 175.76 175.92 3duf s ALA 293 N -3.97 3.09 0.65 0.00 0.00 -1.20 -4.83 121.76 115.51 3duf s ALA 293 Ca 0.17 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.85 3duf s ALA 293 Cb -0.01 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 3duf s ALA 293 CO 0.05 -0.72 0.97 -2.30 0.00 0.00 0.00 175.76 173.77 3duf n PRO 294 N -2.76 0.75 -1.08 0.00 -0.02 -1.26 -2.38 135.00 128.24 3duf n PRO 294 Ca 0.06 0.30 -0.26 0.00 -2.02 0.00 0.00 63.50 61.59 3duf n PRO 294 Cb 0.54 -2.20 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 3duf n PRO 294 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3duf n ASP 295 N -1.18 6.73 -4.70 2.55 8.00 -1.26 -4.52 116.55 122.18 3duf n ASP 295 Ca 0.14 -2.47 -0.31 0.00 0.71 0.00 0.00 54.79 52.86 3duf n ASP 295 Cb 0.48 -1.40 -0.09 0.00 -0.02 0.00 0.00 41.12 40.09 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 1.91 1.51 0.80 -3.53 -4.23 -1.26 -5.05 115.64 105.78 3duf s THR 296 Ca 0.63 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.02 3duf s THR 296 Cb 0.22 -2.52 0.08 0.00 1.34 0.00 0.00 72.50 71.61 3duf s THR 296 CO -0.03 0.00 1.14 -0.69 -0.54 0.00 0.00 174.62 174.50 3duf s VAL 297 N -2.81 2.63 0.14 2.29 1.01 -1.26 -4.86 120.40 117.53 3duf s VAL 297 Ca 0.18 0.24 -0.33 0.00 0.00 0.00 0.00 61.98 62.07 3duf s VAL 297 Cb 0.05 -2.59 -0.13 0.00 0.00 0.00 0.00 36.38 33.71 3duf s VAL 297 CO 0.09 -0.23 1.68 0.00 0.00 0.00 0.00 175.10 176.64 3duf n TYR 298 N -3.43 2.44 -1.19 5.22 4.19 -1.26 -4.89 117.16 118.24 3duf n TYR 298 Ca 0.11 0.13 -0.35 0.00 3.31 0.00 0.00 57.90 61.10 3duf n TYR 298 Cb 0.52 -2.61 0.10 0.00 0.49 0.00 0.00 39.34 37.83 3duf n TYR 298 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3duf n PRO 299 N 4.20 0.26 -2.14 2.98 -0.04 -1.26 -4.98 135.00 134.01 3duf n PRO 299 Ca 0.17 0.14 -0.36 0.00 -0.04 0.00 0.00 63.50 63.42 3duf n PRO 299 Cb 0.31 -2.10 0.01 0.00 -0.04 0.00 0.00 33.50 31.68 3duf n PRO 299 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3duf s PHE 300 N -1.99 2.63 0.30 0.54 0.08 -1.26 -4.87 117.98 113.40 3duf s PHE 300 Ca 0.69 1.52 0.02 0.00 0.12 0.00 0.00 56.93 59.27 3duf s PHE 300 Cb -0.32 -3.43 0.74 0.00 -0.57 0.00 0.00 43.02 39.45 3duf s PHE 300 CO 0.55 -1.86 1.59 0.00 -0.10 0.00 0.00 175.22 175.40 3duf h ALA 301 N 1.44 1.20 0.00 5.36 0.00 -1.93 -1.88 119.26 123.44 3duf h ALA 301 Ca -0.50 0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3duf h ALA 301 Cb 1.27 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3duf h ALA 301 CO 0.58 -0.56 0.00 1.96 0.00 0.00 0.00 179.25 181.23 3duf h GLN 302 N 0.06 0.00 -0.10 0.00 4.20 -1.97 -2.99 115.11 114.31 3duf h GLN 302 Ca 0.58 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.29 3duf h GLN 302 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3duf h GLN 302 CO -0.83 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.33 3duf n ALA 303 N -2.01 2.45 -0.24 3.87 0.00 -0.71 -4.56 120.51 119.31 3duf n ALA 303 Ca -0.00 -0.75 0.05 0.00 0.00 0.00 0.00 53.44 52.74 3duf n ALA 303 Cb 0.21 -0.78 0.16 0.00 0.00 0.00 0.00 19.45 19.03 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 4.45 0.18 -0.95 0.00 5.08 -1.58 -1.56 114.58 120.19 3duf h GLU 304 Ca 0.00 -0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.52 3duf h GLU 304 Cb 0.96 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.07 3duf h GLU 304 CO 0.00 0.12 0.55 1.03 -1.00 0.00 0.00 179.01 179.71 3duf h SER 305 N 0.18 0.71 -0.05 1.42 0.87 -1.84 -0.08 113.55 114.76 3duf h SER 305 Ca 0.40 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 3duf h SER 305 Cb 0.69 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 3duf h SER 305 CO -0.57 0.28 0.00 1.33 -0.53 0.00 0.00 176.83 177.34 3duf n VAL 306 N -4.79 0.03 -0.09 2.23 0.24 -0.64 -4.41 118.33 110.90 3duf n VAL 306 Ca 0.21 -0.40 -0.15 0.00 -2.04 0.00 0.00 64.34 61.96 3duf n VAL 306 Cb 0.50 1.02 -0.08 0.00 -1.47 0.00 0.00 33.84 33.81 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 0.83 0.00 -2.41 6.34 -0.00 -0.62 -5.00 117.44 116.58 3duf n TRP 307 Ca 0.16 0.00 -0.40 0.00 -0.00 0.00 0.00 57.50 57.26 3duf n TRP 307 Cb 0.49 -0.70 -0.04 0.00 -0.00 0.00 0.00 31.31 31.06 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 -6.33 4.52 0.09 5.87 1.43 -0.14 -4.53 118.68 119.60 3duf s LEU 308 Ca -0.25 2.32 -0.31 0.00 -1.03 0.00 0.00 54.13 54.86 3duf s LEU 308 Cb 0.07 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 3duf s LEU 308 CO 0.40 -0.22 1.45 -2.84 0.23 0.00 0.00 176.35 175.37 3duf s PRO 309 N -1.36 4.28 0.13 1.29 0.02 -1.26 -4.95 135.00 133.16 3duf s PRO 309 Ca 0.46 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3duf s PRO 309 Cb -0.33 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 30.84 3duf s PRO 309 CO 0.42 -0.53 0.01 0.27 -0.33 0.00 0.00 177.00 176.85 3duf n ASN 310 N 4.48 2.26 0.25 2.53 0.23 -1.26 -5.01 115.26 118.74 3duf n ASN 310 Ca 0.13 -1.57 0.08 0.00 -0.53 0.00 0.00 54.58 52.69 3duf n ASN 310 Cb 0.42 0.08 0.62 0.00 -2.08 0.00 0.00 39.78 38.81 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 1.00 0.00 -0.39 -2.53 -0.00 -1.96 -2.27 116.94 110.80 3duf h PHE 311 Ca -0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.77 3duf h PHE 311 Cb 0.33 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 36.26 3duf h PHE 311 CO 0.00 0.07 -0.14 0.87 -0.00 0.00 0.00 178.31 179.11 3duf h LYS 312 N 0.00 0.71 -0.49 6.09 1.57 -1.96 -1.16 116.57 121.33 3duf h LYS 312 Ca -0.00 -0.24 -0.06 0.00 -1.87 0.00 0.00 60.65 58.48 3duf h LYS 312 Cb 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3duf h LYS 312 CO 0.01 0.82 0.09 -0.44 -0.57 0.00 0.00 179.45 179.35 3duf h ASP 313 N 0.64 0.77 -0.79 0.86 3.32 -1.81 -1.82 116.42 117.59 3duf h ASP 313 Ca 0.11 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3duf h ASP 313 Cb 0.60 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 3duf h ASP 313 CO 0.04 0.83 0.40 0.58 -1.72 0.00 0.00 179.24 179.37 3duf h VAL 314 N 0.68 1.25 -0.01 -1.35 2.07 -1.28 -2.16 116.25 115.45 3duf h VAL 314 Ca 0.15 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 3duf h VAL 314 Cb 0.38 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3duf h VAL 314 CO 0.01 0.29 0.00 0.40 0.02 0.00 0.00 177.57 178.29 3duf h ILE 315 N 1.13 1.25 -0.63 4.57 2.04 -0.99 -0.95 117.51 123.93 3duf h ILE 315 Ca 0.28 -0.73 0.04 0.00 1.00 0.00 0.00 64.86 65.45 3duf h ILE 315 Cb 0.09 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 3duf h ILE 315 CO -0.04 0.19 0.36 -0.08 0.00 0.00 0.00 178.15 178.59 3duf h GLU 316 N -0.29 0.67 -0.39 2.37 4.81 -1.22 -1.19 114.58 119.34 3duf h GLU 316 Ca 0.00 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 3duf h GLU 316 Cb 0.31 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 3duf h GLU 316 CO 0.00 0.44 -0.37 1.15 -0.73 0.00 0.00 179.01 179.51 3duf h THR 317 N 0.69 1.27 -0.83 0.32 2.02 -1.40 -1.91 112.91 113.07 3duf h THR 317 Ca 0.27 -1.54 0.00 0.00 0.77 0.00 0.00 66.41 65.91 3duf h THR 317 Cb 0.11 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 3duf h THR 317 CO -0.15 0.52 0.54 0.00 0.37 0.00 0.00 175.52 176.80 3duf h ALA 318 N 0.82 1.38 -0.15 6.16 0.00 -0.66 -1.80 119.26 125.00 3duf h ALA 318 Ca 0.07 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3duf h ALA 318 Cb 0.95 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3duf h ALA 318 CO 0.09 0.56 -0.00 0.87 0.00 0.00 0.00 179.25 180.77 3duf h LYS 319 N 1.14 0.26 -0.96 0.00 1.79 -1.07 -2.48 116.57 115.24 3duf h LYS 319 Ca 0.30 -0.08 0.21 0.00 -2.18 0.00 0.00 60.65 58.90 3duf h LYS 319 Cb -0.11 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.44 3duf h LYS 319 CO -0.06 0.49 0.62 -0.22 -1.08 0.00 0.00 179.45 179.20 3duf h LYS 320 N -0.00 0.49 -0.02 3.15 3.64 -0.71 0.12 116.57 123.24 3duf h LYS 320 Ca 0.04 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.19 3duf h LYS 320 Cb 0.37 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3duf h LYS 320 CO 0.01 0.32 -0.86 0.28 -2.27 0.00 0.00 179.45 176.93 3duf h VAL 321 N 0.50 1.43 -0.11 2.00 2.07 -1.12 -1.87 116.25 119.15 3duf h VAL 321 Ca 0.53 -2.42 -0.15 0.00 0.82 0.00 0.00 66.70 65.48 3duf h VAL 321 Cb 1.17 2.35 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 3duf h VAL 321 CO -0.26 0.72 -0.57 0.24 0.02 0.00 0.00 177.57 177.72 3duf h MET 322 N 0.19 0.34 -0.41 1.57 2.86 -0.41 -3.20 114.93 115.87 3duf h MET 322 Ca -0.05 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 3duf h MET 322 Cb 1.47 0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.16 3duf h MET 322 CO 0.14 0.82 0.00 0.09 1.06 0.00 0.00 176.91 179.02 3duf n ASN 323 N -3.91 3.27 0.00 1.22 3.02 -0.01 -5.11 115.26 113.74 3duf n ASN 323 Ca -0.03 -1.96 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3duf n ASN 323 Cb 0.60 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.51 3duf n ASN 323 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97