#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fdg s ALA 16 N 0.00 -1.25 0.08 1.96 0.00 -1.26 -5.11 121.76 116.18 2fdg s ALA 16 Ca 0.00 0.98 -0.32 0.00 0.00 0.00 0.00 51.96 52.63 2fdg s ALA 16 Cb 0.00 -1.77 -0.11 0.00 0.00 0.00 0.00 23.12 21.24 2fdg s ALA 16 CO 0.00 -1.31 1.85 0.00 0.00 0.00 0.00 175.76 176.30 2fdg n ALA 17 N 5.37 1.81 0.00 0.00 0.00 -1.26 -1.94 120.51 124.49 2fdg n ALA 17 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2fdg n ALA 17 Cb 0.50 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.38 2fdg n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fdg n GLY 18 N 4.24 1.79 3.74 0.00 0.00 -1.26 -1.16 105.19 112.55 2fdg n GLY 18 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 2fdg n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdg s ALA 19 N -2.34 3.35 -0.33 4.61 0.00 -0.82 -2.70 121.76 123.52 2fdg s ALA 19 Ca 0.00 0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.26 2fdg s ALA 19 Cb 0.00 -3.02 0.08 0.00 0.00 0.00 0.00 23.12 20.18 2fdg s ALA 19 CO 0.00 0.02 0.04 0.08 0.00 0.00 0.00 175.76 175.91 2fdg s VAL 20 N 0.12 2.66 -0.32 0.00 1.01 -0.68 -4.92 120.40 118.27 2fdg s VAL 20 Ca 0.40 -1.91 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 2fdg s VAL 20 Cb -0.20 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2fdg s VAL 20 CO 0.23 -0.39 0.59 -0.63 0.00 0.00 0.00 175.10 174.90 2fdg s ILE 21 N 1.08 4.96 -0.76 2.22 1.09 -1.26 -1.12 121.20 127.40 2fdg s ILE 21 Ca 0.03 0.67 0.03 0.00 -1.10 0.00 0.00 60.65 60.28 2fdg s ILE 21 Cb -0.20 -3.99 0.19 0.00 -1.06 0.00 0.00 42.46 37.39 2fdg s ILE 21 CO -0.05 -0.18 0.59 0.18 -0.10 0.00 0.00 174.94 175.39 2fdg n LEU 22 N 5.86 3.41 -4.73 2.97 4.77 0.13 -5.01 117.00 124.39 2fdg n LEU 22 Ca -0.02 -5.21 -0.42 0.00 -0.03 0.00 0.00 56.01 50.33 2fdg n LEU 22 Cb 0.49 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 2fdg n LEU 22 CO 0.46 1.72 1.21 -0.13 -1.33 0.00 0.00 177.39 179.32 2fdg s ARG 23 N -1.52 4.20 -1.22 3.23 0.52 -1.26 -1.48 118.95 121.42 2fdg s ARG 23 Ca 0.26 2.42 0.00 0.00 -0.52 0.00 0.00 55.73 57.89 2fdg s ARG 23 Cb -0.04 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.33 2fdg s ARG 23 CO -0.15 -0.57 0.00 0.54 0.02 0.00 0.00 175.30 175.14 2fdg n ARG 24 N 3.03 -1.26 0.05 3.54 1.74 -1.22 -4.89 116.66 117.65 2fdg n ARG 24 Ca 0.10 0.87 0.03 0.00 -0.77 0.00 0.00 57.85 58.08 2fdg n ARG 24 Cb 0.38 -5.06 0.39 0.00 -1.02 0.00 0.00 32.46 27.16 2fdg n ARG 24 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2fdg h PHE 25 N 0.00 0.41 -0.57 -1.55 3.57 -1.25 -2.63 116.94 114.93 2fdg h PHE 25 Ca -0.24 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.24 2fdg h PHE 25 Cb 0.98 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.59 2fdg h PHE 25 CO 0.47 0.38 0.00 0.00 -2.23 0.00 0.00 178.31 176.93 2fdg n ALA 26 N -2.48 3.64 -0.19 2.41 0.00 0.39 -4.58 120.51 119.70 2fdg n ALA 26 Ca 0.01 -1.75 -0.07 0.00 0.00 0.00 0.00 53.44 51.63 2fdg n ALA 26 Cb 0.17 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.55 2fdg n ALA 26 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2fdg h PHE 27 N 3.87 0.74 -0.36 0.00 3.57 -1.63 -1.26 116.94 121.87 2fdg h PHE 27 Ca 0.00 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.34 2fdg h PHE 27 Cb 1.79 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 2fdg h PHE 27 CO 0.98 0.53 -0.35 -0.91 -2.23 0.00 0.00 178.31 176.33 2fdg h ASN 28 N 0.73 0.88 1.00 0.41 -0.26 -1.83 -3.16 115.58 113.35 2fdg h ASN 28 Ca 0.19 -0.38 0.00 0.00 -0.56 0.00 0.00 56.30 55.55 2fdg h ASN 28 Cb 0.02 -0.25 0.00 0.00 -1.06 0.00 0.00 38.32 37.04 2fdg h ASN 28 CO -0.03 1.14 -0.13 0.00 -1.06 0.00 0.00 177.43 177.34 2fdg n ALA 29 N -2.53 2.57 -0.28 -0.83 0.00 -1.17 -4.47 120.51 113.81 2fdg n ALA 29 Ca -0.01 -0.14 0.02 0.00 0.00 0.00 0.00 53.44 53.30 2fdg n ALA 29 Cb 0.51 -1.39 0.09 0.00 0.00 0.00 0.00 19.45 18.66 2fdg n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2fdg h ALA 30 N 2.87 0.46 -0.51 0.00 0.00 -1.19 -1.41 119.26 119.46 2fdg h ALA 30 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2fdg h ALA 30 Cb 0.57 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2fdg h ALA 30 CO 0.00 -0.44 0.25 0.93 0.00 0.00 0.00 179.25 179.99 2fdg h GLU 31 N -0.02 0.74 -0.23 0.00 5.08 -1.82 -1.78 114.58 116.55 2fdg h GLU 31 Ca 0.37 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 2fdg h GLU 31 Cb 0.59 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2fdg h GLU 31 CO -0.83 0.61 -0.37 0.37 -1.00 0.00 0.00 179.01 177.79 2fdg h GLN 32 N 0.69 0.52 -0.62 2.33 5.75 -1.75 -2.38 115.11 119.65 2fdg h GLN 32 Ca 0.18 -0.25 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2fdg h GLN 32 Cb 0.11 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 2fdg h GLN 32 CO -0.02 0.82 0.18 -0.07 -2.65 0.00 0.00 178.83 177.09 2fdg h LEU 33 N 0.44 0.91 -0.74 -2.39 4.07 -1.02 -1.00 115.31 115.58 2fdg h LEU 33 Ca 0.04 -0.21 -0.12 0.00 0.08 0.00 0.00 57.88 57.67 2fdg h LEU 33 Cb 0.85 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2fdg h LEU 33 CO 0.07 0.89 -0.29 0.40 -1.08 0.00 0.00 178.44 178.43 2fdg h ILE 34 N 0.89 1.28 -0.61 1.22 2.04 -1.20 0.11 117.51 121.24 2fdg h ILE 34 Ca 0.20 -1.40 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 2fdg h ILE 34 Cb 0.31 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2fdg h ILE 34 CO -0.00 0.45 0.01 0.03 0.00 0.00 0.00 178.15 178.64 2fdg h ARG 35 N 0.56 1.05 0.00 2.37 3.08 -1.20 -2.23 114.38 118.01 2fdg h ARG 35 Ca 0.07 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 2fdg h ARG 35 Cb 0.78 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 2fdg h ARG 35 CO 0.06 1.02 -0.36 -0.44 -1.07 0.00 0.00 179.97 179.19 2fdg h ASP 36 N 0.97 0.00 -0.14 7.04 3.32 -0.83 -2.23 116.42 124.55 2fdg h ASP 36 Ca 0.17 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.12 2fdg h ASP 36 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2fdg h ASP 36 CO 0.03 0.36 -0.34 0.40 -1.72 0.00 0.00 179.24 177.97 2fdg h ILE 37 N 0.00 1.36 -0.06 0.35 2.04 -0.70 -1.70 117.51 118.81 2fdg h ILE 37 Ca -0.00 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 2fdg h ILE 37 Cb 0.99 2.04 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 2fdg h ILE 37 CO 0.05 0.48 -0.16 0.78 0.00 0.00 0.00 178.15 179.30 2fdg h ASN 38 N 0.08 0.08 -0.19 1.72 2.35 -1.31 0.13 115.58 118.44 2fdg h ASN 38 Ca -0.00 -0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.60 2fdg h ASN 38 Cb 0.94 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.30 2fdg h ASN 38 CO 0.07 0.25 -0.40 -0.78 -1.65 0.00 0.00 177.43 174.93 2fdg h ASP 39 N 0.08 0.68 -0.38 5.81 1.82 -1.32 -2.41 116.42 120.70 2fdg h ASP 39 Ca 0.02 -0.55 -0.06 0.00 -0.39 0.00 0.00 57.03 56.04 2fdg h ASP 39 Cb 0.34 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 2fdg h ASP 39 CO 0.02 1.11 0.00 0.58 -1.61 0.00 0.00 179.24 179.34 2fdg h VAL 40 N 0.28 1.26 0.00 2.25 2.07 -0.75 -3.05 116.25 118.31 2fdg h VAL 40 Ca 0.00 -0.99 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 2fdg h VAL 40 Cb 1.00 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.92 2fdg h VAL 40 CO 0.09 0.33 -0.05 0.00 0.02 0.00 0.00 177.57 177.96 2fdg h ALA 41 N 0.88 1.23 0.00 1.67 0.00 -0.72 -0.40 119.26 121.91 2fdg h ALA 41 Ca 0.11 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2fdg h ALA 41 Cb 0.46 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2fdg h ALA 41 CO 0.02 0.06 -0.33 0.66 0.00 0.00 0.00 179.25 179.67 2fdg h SER 42 N 0.00 0.00 0.01 0.00 4.64 -1.31 -2.89 113.55 114.00 2fdg h SER 42 Ca -0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 2fdg h SER 42 Cb 0.20 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.23 2fdg h SER 42 CO 0.01 0.33 -2.37 1.67 -0.87 0.00 0.00 176.83 175.59 2fdg n GLN 43 N -3.29 0.63 -3.90 4.77 7.27 -0.89 -4.80 117.38 117.18 2fdg n GLN 43 Ca 0.01 0.23 -0.30 0.00 0.07 0.00 0.00 57.00 57.01 2fdg n GLN 43 Cb 0.58 -1.55 -0.14 0.00 2.41 0.00 0.00 30.24 31.54 2fdg n GLN 43 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 2fdg s SER 44 N -6.95 4.32 0.79 1.69 0.01 -0.21 -4.97 113.70 108.37 2fdg s SER 44 Ca -0.35 -2.39 -0.13 0.00 1.31 0.00 0.00 55.95 54.39 2fdg s SER 44 Cb 0.11 -1.39 0.07 0.00 0.21 0.00 0.00 66.02 65.01 2fdg s SER 44 CO 0.58 -0.32 1.19 -2.84 0.41 0.00 0.00 173.24 172.25 2fdg s PRO 45 N 0.60 1.82 0.11 12.44 0.02 -1.09 -3.98 135.00 144.91 2fdg s PRO 45 Ca 0.14 1.68 -0.31 0.00 0.02 0.00 0.00 61.00 62.53 2fdg s PRO 45 Cb -0.22 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.43 2fdg s PRO 45 CO -0.07 -2.06 1.32 -0.06 -0.33 0.00 0.00 177.00 175.80 2fdg s PHE 46 N -2.21 3.31 0.02 6.54 0.40 -1.26 -4.69 117.98 120.08 2fdg s PHE 46 Ca 0.72 1.09 0.01 0.00 -0.60 0.00 0.00 56.93 58.14 2fdg s PHE 46 Cb -0.27 -3.59 -0.01 0.00 0.51 0.00 0.00 43.02 39.65 2fdg s PHE 46 CO 0.50 -2.00 -0.04 -0.98 0.70 0.00 0.00 175.22 173.40 2fdg s ARG 47 N 0.96 0.33 -0.70 0.44 3.03 -0.34 -4.87 118.95 117.80 2fdg s ARG 47 Ca 0.62 -0.40 -0.22 0.00 2.03 0.00 0.00 55.73 57.75 2fdg s ARG 47 Cb -0.35 -0.16 0.08 0.00 -1.03 0.00 0.00 34.95 33.49 2fdg s ARG 47 CO 0.31 0.03 1.00 -0.65 -1.13 0.00 0.00 175.30 174.85 2fdg s GLN 48 N -0.82 3.18 0.40 3.89 -0.21 -1.26 -0.47 119.66 124.37 2fdg s GLN 48 Ca -0.06 -0.95 -0.27 0.00 0.02 0.00 0.00 55.36 54.10 2fdg s GLN 48 Cb -0.06 -4.33 -0.10 0.00 1.00 0.00 0.00 33.01 29.52 2fdg s GLN 48 CO -0.00 -1.82 1.43 -1.33 -2.12 0.00 0.00 175.29 171.44 2fdg n MET 49 N 7.60 2.41 -3.19 2.91 2.81 -1.26 -4.56 117.12 123.84 2fdg n MET 49 Ca 0.00 0.85 -0.40 0.00 -1.81 0.00 0.00 57.70 56.34 2fdg n MET 49 Cb 0.46 -2.59 -0.07 0.00 -0.71 0.00 0.00 33.22 30.31 2fdg n MET 49 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2fdg s VAL 50 N -1.15 5.04 0.64 2.03 1.01 -1.26 -1.14 120.40 125.57 2fdg s VAL 50 Ca 0.57 0.97 -0.16 0.00 0.00 0.00 0.00 61.98 63.36 2fdg s VAL 50 Cb -0.48 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.02 2fdg s VAL 50 CO 0.61 0.06 1.14 0.28 0.00 0.00 0.00 175.10 177.20 2fdg s THR 51 N 2.38 3.00 0.60 3.92 -1.32 -0.28 -4.67 115.64 119.28 2fdg s THR 51 Ca 0.23 0.52 0.28 0.00 -1.21 0.00 0.00 61.69 61.51 2fdg s THR 51 Cb -0.16 -3.08 0.38 0.00 -1.51 0.00 0.00 72.50 68.14 2fdg s THR 51 CO 0.09 -0.24 1.77 -0.65 -2.21 0.00 0.00 174.62 173.38 2fdg h PRO 52 N 0.30 0.00 -0.00 7.08 0.11 -1.86 0.97 132.00 138.59 2fdg h PRO 52 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2fdg h PRO 52 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2fdg h PRO 52 CO 0.54 0.00 -0.08 0.41 -0.21 0.00 0.00 178.00 178.66 2fdg n GLY 53 N -1.53 -0.97 0.19 -0.55 0.00 -1.26 -4.92 105.19 96.14 2fdg n GLY 53 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2fdg n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdg n GLY 54 N 1.25 0.95 3.52 -0.02 0.00 0.34 -5.09 105.19 106.14 2fdg n GLY 54 Ca 0.15 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2fdg n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fdg s TYR 55 N -2.00 3.09 0.12 1.61 1.51 -1.25 -4.86 117.35 115.58 2fdg s TYR 55 Ca 0.00 -0.23 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 2fdg s TYR 55 Cb 0.00 -2.04 -0.07 0.00 -0.11 0.00 0.00 41.96 39.75 2fdg s TYR 55 CO 0.00 -0.05 1.15 0.99 -1.11 0.00 0.00 175.55 176.53 2fdg s THR 56 N 0.58 3.95 0.45 -0.71 2.01 -1.26 -1.12 115.64 119.53 2fdg s THR 56 Ca -0.00 1.53 -0.22 0.00 0.31 0.00 0.00 61.69 63.31 2fdg s THR 56 Cb -0.14 -3.98 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 2fdg s THR 56 CO 0.02 0.20 1.09 -0.04 -0.69 0.00 0.00 174.62 175.19 2fdg s MET 57 N 0.30 3.89 0.26 4.92 -1.94 -0.29 -4.96 119.30 121.48 2fdg s MET 57 Ca 0.54 1.55 0.14 0.00 -1.71 0.00 0.00 55.69 56.21 2fdg s MET 57 Cb -0.29 -2.34 0.14 0.00 2.01 0.00 0.00 34.83 34.34 2fdg s MET 57 CO 0.32 -0.39 1.47 0.66 -0.01 0.00 0.00 175.02 177.08 2fdg h SER 58 N 2.02 0.00 -3.35 3.03 4.64 -1.91 -3.42 113.55 114.56 2fdg h SER 58 Ca -0.49 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.27 2fdg h SER 58 Cb 1.23 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.27 2fdg h SER 58 CO 0.60 0.59 0.26 -0.69 -0.87 0.00 0.00 176.83 176.72 2fdg s VAL 59 N -3.06 4.95 0.08 0.95 1.01 -1.26 -4.74 120.40 118.34 2fdg s VAL 59 Ca 0.02 1.64 -0.25 0.00 0.00 0.00 0.00 61.98 63.40 2fdg s VAL 59 Cb 0.09 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.27 2fdg s VAL 59 CO 0.75 0.15 0.75 0.00 0.00 0.00 0.00 175.10 176.75 2fdg s ALA 60 N 1.34 3.41 0.21 5.51 0.00 -0.75 -4.48 121.76 127.00 2fdg s ALA 60 Ca 0.41 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.70 2fdg s ALA 60 Cb -0.18 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 19.94 2fdg s ALA 60 CO 0.18 0.16 -0.04 -1.64 0.00 0.00 0.00 175.76 174.42 2fdg s MET 61 N -0.47 1.29 0.17 0.00 -1.94 0.38 0.05 119.30 118.77 2fdg s MET 61 Ca 0.37 -1.63 -0.24 0.00 -1.71 0.00 0.00 55.69 52.48 2fdg s MET 61 Cb -0.21 -0.70 0.07 0.00 2.01 0.00 0.00 34.83 35.99 2fdg s MET 61 CO 0.24 -0.02 0.98 -0.08 -0.01 0.00 0.00 175.02 176.12 2fdg s THR 62 N -3.33 0.00 0.18 2.05 -1.32 -0.86 -1.20 115.64 111.16 2fdg s THR 62 Ca 0.25 -0.65 -0.03 0.00 -1.21 0.00 0.00 61.69 60.05 2fdg s THR 62 Cb 0.04 -2.28 -0.03 0.00 -1.51 0.00 0.00 72.50 68.72 2fdg s THR 62 CO 0.07 0.00 0.17 0.20 -2.21 0.00 0.00 174.62 172.85 2fdg s ASN 63 N -3.08 0.16 -0.03 8.08 0.01 -1.26 -0.47 114.94 118.36 2fdg s ASN 63 Ca 0.15 -1.22 -0.12 0.00 -0.71 0.00 0.00 52.86 50.96 2fdg s ASN 63 Cb -0.02 0.38 0.02 0.00 0.41 0.00 0.00 41.25 42.05 2fdg s ASN 63 CO 0.03 -0.85 0.26 0.00 -1.51 0.00 0.00 177.10 175.04 2fdg n GLY 65 N 1.59 0.33 0.19 0.00 0.00 0.58 -1.35 105.19 106.53 2fdg n GLY 65 Ca -0.20 -2.28 -0.14 0.00 0.00 0.00 0.00 46.02 43.39 2fdg n GLY 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2fdg h HIS 66 N 0.00 0.82 -2.69 1.61 3.86 -1.32 -3.42 115.15 114.00 2fdg h HIS 66 Ca 0.00 -0.38 -0.62 0.00 -1.16 0.00 0.00 60.37 58.21 2fdg h HIS 66 Cb 0.00 -0.12 -0.14 0.00 1.06 0.00 0.00 27.41 28.21 2fdg h HIS 66 CO 0.00 1.18 -0.74 -0.51 0.86 0.00 0.00 177.93 178.72 2fdg s LEU 67 N -8.12 2.77 -0.13 2.43 1.43 -0.36 -4.28 118.68 112.42 2fdg s LEU 67 Ca -0.08 -0.79 -0.10 0.00 -1.03 0.00 0.00 54.13 52.14 2fdg s LEU 67 Cb 0.09 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.96 2fdg s LEU 67 CO 0.88 0.07 0.34 -0.83 0.23 0.00 0.00 176.35 177.04 2fdg s GLY 68 N -3.13 -0.25 0.21 -3.19 0.00 -0.29 -4.25 107.32 96.42 2fdg s GLY 68 Ca 0.26 1.12 -0.30 0.00 0.00 0.00 0.00 44.72 45.81 2fdg s GLY 68 CO 0.15 1.13 1.21 0.86 0.00 0.00 0.00 173.10 176.45 2fdg s TRP 69 N 0.70 3.39 0.19 1.90 -0.00 -1.26 -1.32 118.94 122.54 2fdg s TRP 69 Ca -0.04 1.43 -0.19 0.00 -0.00 0.00 0.00 56.10 57.30 2fdg s TRP 69 Cb -0.05 -3.45 0.04 0.00 -0.00 0.00 0.00 33.47 30.00 2fdg s TRP 69 CO -0.05 -1.26 0.55 -0.08 -0.00 0.00 0.00 176.95 176.11 2fdg s THR 70 N -0.25 0.02 0.09 5.86 -1.32 -0.62 -4.88 115.64 114.55 2fdg s THR 70 Ca 0.52 -0.60 -0.02 0.00 -1.21 0.00 0.00 61.69 60.38 2fdg s THR 70 Cb -0.34 -1.45 -0.05 0.00 -1.51 0.00 0.00 72.50 69.16 2fdg s THR 70 CO 0.39 -0.09 0.28 0.42 -2.21 0.00 0.00 174.62 173.40 2fdg s THR 71 N -3.84 5.29 0.08 5.08 -4.23 -1.26 -1.95 115.64 114.80 2fdg s THR 71 Ca 0.07 -0.20 0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2fdg s THR 71 Cb -0.01 -3.63 -0.00 0.00 1.34 0.00 0.00 72.50 70.20 2fdg s THR 71 CO -0.05 0.10 0.09 0.00 -0.54 0.00 0.00 174.62 174.22 2fdg n HIS 72 N 0.21 -0.42 0.16 3.99 1.44 -0.43 -4.94 115.22 115.23 2fdg n HIS 72 Ca -0.04 -0.61 -0.14 0.00 -2.01 0.00 0.00 57.72 54.92 2fdg n HIS 72 Cb 0.51 0.10 -0.08 0.00 0.12 0.00 0.00 29.99 30.64 2fdg n HIS 72 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fdg h ARG 73 N 0.00 -0.34 -0.19 -1.40 3.08 -1.94 -3.24 114.38 110.34 2fdg h ARG 73 Ca -0.06 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2fdg h ARG 73 Cb 0.28 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2fdg h ARG 73 CO 0.08 -0.19 0.00 1.04 -1.07 0.00 0.00 179.97 179.83 2fdg n GLN 74 N -5.22 1.47 0.00 0.04 1.13 -1.26 -4.76 117.38 108.78 2fdg n GLN 74 Ca -0.10 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.23 2fdg n GLN 74 Cb 0.18 -1.19 0.00 0.00 0.11 0.00 0.00 30.24 29.33 2fdg n GLN 74 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fdg n GLY 75 N 0.86 0.33 3.42 1.08 0.00 -1.22 -5.10 105.19 104.56 2fdg n GLY 75 Ca 0.08 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 2fdg n GLY 75 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fdg s TYR 76 N -4.00 2.50 0.25 1.61 2.02 -1.26 -1.31 117.35 117.15 2fdg s TYR 76 Ca 0.00 -0.30 -0.19 0.00 -0.37 0.00 0.00 57.07 56.21 2fdg s TYR 76 Cb 0.00 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 40.11 2fdg s TYR 76 CO 0.00 0.19 0.63 -0.48 -1.57 0.00 0.00 175.55 174.32 2fdg s LEU 77 N -1.25 -0.10 -0.15 -1.29 0.05 -0.82 -4.98 118.68 110.13 2fdg s LEU 77 Ca 0.13 -0.62 -0.07 0.00 0.05 0.00 0.00 54.13 53.63 2fdg s LEU 77 Cb -0.10 2.42 -0.04 0.00 -2.05 0.00 0.00 46.19 46.42 2fdg s LEU 77 CO 0.03 -1.23 0.09 -0.31 -0.55 0.00 0.00 176.35 174.38 2fdg s TYR 78 N -3.92 3.37 0.01 3.48 1.51 -1.26 -1.58 117.35 118.95 2fdg s TYR 78 Ca 0.13 0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.48 2fdg s TYR 78 Cb -0.04 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 2fdg s TYR 78 CO 0.05 0.41 -0.07 0.45 -1.11 0.00 0.00 175.55 175.27 2fdg s SER 79 N -0.28 0.82 0.00 2.29 0.15 -0.43 -4.88 113.70 111.37 2fdg s SER 79 Ca 0.09 -0.26 0.27 0.00 0.70 0.00 0.00 55.95 56.76 2fdg s SER 79 Cb -0.12 -0.05 1.20 0.00 -1.71 0.00 0.00 66.02 65.34 2fdg s SER 79 CO 0.01 -0.01 1.88 -0.81 1.20 0.00 0.00 173.24 175.52 2fdg n PRO 80 N 2.44 0.08 -4.93 5.44 -0.04 -1.26 -1.13 135.00 135.60 2fdg n PRO 80 Ca -0.16 0.03 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 2fdg n PRO 80 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 2fdg n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2fdg s ILE 81 N -2.92 2.79 -0.36 0.52 -1.09 -1.26 -3.42 121.20 115.47 2fdg s ILE 81 Ca 0.16 -0.90 -0.27 0.00 -2.23 0.00 0.00 60.65 57.40 2fdg s ILE 81 Cb 0.18 -2.09 0.02 0.00 -1.58 0.00 0.00 42.46 38.99 2fdg s ILE 81 CO 0.48 0.54 1.00 -0.62 -1.23 0.00 0.00 174.94 175.11 2fdg s ASP 82 N -0.85 6.77 0.23 3.58 -1.08 0.40 -4.87 116.67 120.86 2fdg s ASP 82 Ca 0.12 0.75 0.20 0.00 -0.52 0.00 0.00 52.55 53.10 2fdg s ASP 82 Cb -0.10 -2.50 0.92 0.00 -1.46 0.00 0.00 42.92 39.78 2fdg s ASP 82 CO 0.01 -0.90 1.60 -0.81 0.52 0.00 0.00 175.17 175.59 2fdg n PRO 83 N 6.92 0.14 -0.10 4.34 -0.04 -1.26 0.11 135.00 145.11 2fdg n PRO 83 Ca 0.09 0.50 -0.19 0.00 -0.04 0.00 0.00 63.50 63.86 2fdg n PRO 83 Cb 0.48 -1.83 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 2fdg n PRO 83 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 2fdg h GLN 84 N 0.00 0.00 0.00 0.54 4.15 -1.94 -3.39 115.11 114.47 2fdg h GLN 84 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2fdg h GLN 84 Cb 0.18 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.87 2fdg h GLN 84 CO 0.00 0.91 -0.49 1.79 -1.93 0.00 0.00 178.83 179.11 2fdg h THR 85 N -1.00 0.05 -0.38 2.39 1.35 -1.92 -3.47 112.91 109.92 2fdg h THR 85 Ca -0.27 -1.08 -0.16 0.00 -0.55 0.00 0.00 66.41 64.34 2fdg h THR 85 Cb 1.18 1.81 -0.07 0.00 -1.73 0.00 0.00 68.15 69.34 2fdg h THR 85 CO -0.16 0.03 -0.15 0.59 -0.25 0.00 0.00 175.52 175.58 2fdg n ASN 86 N -2.92 -5.02 -4.78 5.36 4.13 0.12 -4.99 115.26 107.16 2fdg n ASN 86 Ca 0.02 0.20 -0.22 0.00 1.68 0.00 0.00 54.58 56.26 2fdg n ASN 86 Cb 0.56 -3.23 -0.05 0.00 -1.54 0.00 0.00 39.78 35.52 2fdg n ASN 86 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2fdg s LYS 87 N -2.43 2.59 0.80 3.52 1.02 -1.24 -4.83 119.74 119.18 2fdg s LYS 87 Ca 0.00 -1.34 -0.11 0.00 0.02 0.00 0.00 55.97 54.54 2fdg s LYS 87 Cb 0.00 -2.35 0.07 0.00 -0.52 0.00 0.00 37.83 35.03 2fdg s LYS 87 CO 0.00 0.21 1.09 -1.25 -0.92 0.00 0.00 175.35 174.48 2fdg s PRO 88 N -3.86 2.04 0.55 -1.68 0.04 -1.26 -0.45 135.00 130.38 2fdg s PRO 88 Ca 0.37 0.81 -0.20 0.00 0.04 0.00 0.00 61.00 62.02 2fdg s PRO 88 Cb -0.05 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2fdg s PRO 88 CO 0.24 -1.69 1.18 -1.58 0.04 0.00 0.00 177.00 175.19 2fdg s TRP 89 N -3.05 2.56 0.85 0.56 0.52 -1.22 -4.66 118.94 114.50 2fdg s TRP 89 Ca 0.61 1.52 -0.12 0.00 0.02 0.00 0.00 56.10 58.13 2fdg s TRP 89 Cb -0.16 -3.42 0.11 0.00 -1.15 0.00 0.00 33.47 28.86 2fdg s TRP 89 CO 0.55 -1.92 1.17 -2.14 0.02 0.00 0.00 176.95 174.64 2fdg s PRO 90 N -3.19 1.41 0.54 4.98 0.02 -1.26 -4.64 135.00 132.86 2fdg s PRO 90 Ca 0.73 1.63 -0.20 0.00 0.02 0.00 0.00 61.00 63.18 2fdg s PRO 90 Cb -0.28 -1.76 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 2fdg s PRO 90 CO 0.32 -2.35 1.19 0.00 -0.33 0.00 0.00 177.00 175.83 2fdg s ALA 91 N -2.42 2.73 -0.03 -1.55 0.00 -1.26 -0.31 121.76 118.93 2fdg s ALA 91 Ca 0.70 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.34 2fdg s ALA 91 Cb -0.25 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 2fdg s ALA 91 CO 0.54 -0.95 1.50 1.41 0.00 0.00 0.00 175.76 178.26 2fdg s MET 92 N -3.09 4.23 0.74 0.00 1.75 -1.26 -4.42 119.30 117.24 2fdg s MET 92 Ca 0.72 2.05 -0.15 0.00 -1.25 0.00 0.00 55.69 57.05 2fdg s MET 92 Cb -0.29 -3.73 0.03 0.00 2.84 0.00 0.00 34.83 33.67 2fdg s MET 92 CO 0.34 -0.70 1.14 -2.30 -0.65 0.00 0.00 175.02 172.84 2fdg n PRO 93 N 6.13 0.54 -0.21 4.11 -0.02 -1.26 -4.83 135.00 139.46 2fdg n PRO 93 Ca 0.15 0.25 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 2fdg n PRO 93 Cb 0.43 -2.38 0.19 0.00 -0.02 0.00 0.00 33.50 31.72 2fdg n PRO 93 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 2fdg h GLN 94 N -0.30 0.99 -0.38 -0.52 5.75 -1.99 -2.05 115.11 116.60 2fdg h GLN 94 Ca -0.48 -0.13 -0.03 0.00 -0.15 0.00 0.00 58.65 57.87 2fdg h GLN 94 Cb 1.32 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 2fdg h GLN 94 CO 0.48 0.75 0.11 0.66 -2.65 0.00 0.00 178.83 178.18 2fdg h SER 95 N 0.98 0.50 0.07 -0.69 4.64 -1.96 0.60 113.55 117.69 2fdg h SER 95 Ca 0.24 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2fdg h SER 95 Cb 0.09 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2fdg h SER 95 CO -0.03 0.49 -0.03 -0.26 -0.87 0.00 0.00 176.83 176.12 2fdg h PHE 96 N 0.54 -0.09 -0.52 4.77 -1.00 -1.79 -2.44 116.94 116.41 2fdg h PHE 96 Ca 0.13 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.94 2fdg h PHE 96 Cb 0.18 0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 2fdg h PHE 96 CO 0.01 0.35 0.28 0.45 -1.61 0.00 0.00 178.31 177.79 2fdg h HIS 97 N -0.56 0.52 -0.55 -0.55 3.86 -0.86 -1.62 115.15 115.39 2fdg h HIS 97 Ca -0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.18 2fdg h HIS 97 Cb 0.48 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 2fdg h HIS 97 CO 0.08 0.27 0.18 -0.91 0.86 0.00 0.00 177.93 178.41 2fdg h ASN 98 N 0.56 0.80 -0.26 2.45 2.35 -0.96 -1.19 115.58 119.32 2fdg h ASN 98 Ca 0.22 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.66 2fdg h ASN 98 Cb 0.09 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 2fdg h ASN 98 CO -0.13 0.79 -0.28 0.25 -1.65 0.00 0.00 177.43 176.40 2fdg h LEU 99 N 0.77 0.70 -0.83 1.61 5.85 -1.28 -2.25 115.31 119.88 2fdg h LEU 99 Ca 0.18 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 2fdg h LEU 99 Cb 0.27 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2fdg h LEU 99 CO -0.01 1.04 0.18 0.00 -0.34 0.00 0.00 178.44 179.31 2fdg h GLN 101 N 1.01 0.82 -0.46 0.00 5.75 -1.20 0.15 115.11 121.18 2fdg h GLN 101 Ca 0.22 -0.24 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 2fdg h GLN 101 Cb 0.33 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 2fdg h GLN 101 CO -0.00 0.85 -0.04 0.00 -2.65 0.00 0.00 178.83 176.99 2fdg h ARG 102 N 0.69 0.84 -0.20 1.69 3.08 -1.18 -1.68 114.38 117.62 2fdg h ARG 102 Ca 0.14 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2fdg h ARG 102 Cb 0.45 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2fdg h ARG 102 CO 0.02 0.91 0.02 0.00 -1.07 0.00 0.00 179.97 179.85 2fdg h ALA 103 N 0.90 0.27 -0.64 0.04 0.00 -0.95 -2.15 119.26 116.73 2fdg h ALA 103 Ca 0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2fdg h ALA 103 Cb 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 2fdg h ALA 103 CO 0.03 -0.04 0.13 0.00 0.00 0.00 0.00 179.25 179.37 2fdg h ALA 104 N 0.82 0.84 -0.60 0.00 0.00 -0.95 -2.53 119.26 116.83 2fdg h ALA 104 Ca 0.06 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2fdg h ALA 104 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2fdg h ALA 104 CO 0.01 0.57 0.04 1.15 0.00 0.00 0.00 179.25 181.02 2fdg h THR 105 N 0.95 1.26 0.00 0.00 2.02 -1.28 0.92 112.91 116.79 2fdg h THR 105 Ca 0.20 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 2fdg h THR 105 Cb 0.39 0.78 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2fdg h THR 105 CO 0.01 0.40 -0.05 0.00 0.37 0.00 0.00 175.52 176.24 2fdg h ALA 106 N 1.00 1.04 -0.00 6.16 0.00 -1.26 -2.75 119.26 123.45 2fdg h ALA 106 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fdg h ALA 106 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2fdg h ALA 106 CO 0.02 0.07 -0.63 0.00 0.00 0.00 0.00 179.25 178.71 2fdg n ALA 107 N -2.13 3.86 0.00 0.00 0.00 -0.95 -4.95 120.51 116.33 2fdg n ALA 107 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2fdg n ALA 107 Cb 0.29 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.72 2fdg n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fdg n GLY 108 N 1.49 1.10 2.36 0.00 0.00 -1.00 -5.02 105.19 104.13 2fdg n GLY 108 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 2fdg n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2fdg n TYR 109 N -1.78 1.88 0.49 1.61 4.02 0.28 -4.95 117.16 118.71 2fdg n TYR 109 Ca 0.00 -3.89 0.11 0.00 -0.01 0.00 0.00 57.90 54.12 2fdg n TYR 109 Cb 0.00 -0.46 0.45 0.00 -0.02 0.00 0.00 39.34 39.31 2fdg n TYR 109 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 2fdg n PRO 110 N 0.93 0.17 0.00 -0.72 -0.04 -1.26 -2.90 135.00 131.18 2fdg n PRO 110 Ca 0.26 0.33 0.13 0.00 -0.04 0.00 0.00 63.50 64.18 2fdg n PRO 110 Cb 0.47 -1.78 0.31 0.00 -0.04 0.00 0.00 33.50 32.47 2fdg n PRO 110 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2fdg n ASP 111 N -2.08 1.15 -4.66 3.54 8.00 -1.26 -4.90 116.55 116.34 2fdg n ASP 111 Ca 0.03 -0.96 -0.42 0.00 0.71 0.00 0.00 54.79 54.15 2fdg n ASP 111 Cb 0.27 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 2fdg n ASP 111 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2fdg s PHE 112 N -2.52 1.73 -0.33 1.24 5.36 -1.14 -4.98 117.98 117.34 2fdg s PHE 112 Ca 0.23 -0.04 0.00 0.00 -0.96 0.00 0.00 56.93 56.16 2fdg s PHE 112 Cb 0.19 -4.04 0.11 0.00 -0.34 0.00 0.00 43.02 38.94 2fdg s PHE 112 CO 0.54 -4.48 0.11 -0.65 -1.46 0.00 0.00 175.22 169.29 2fdg s GLN 113 N 4.16 0.89 0.40 10.12 -0.21 -1.26 -4.90 119.66 128.86 2fdg s GLN 113 Ca 0.79 -1.32 -0.24 0.00 0.02 0.00 0.00 55.36 54.61 2fdg s GLN 113 Cb -0.37 -2.18 -0.09 0.00 1.00 0.00 0.00 33.01 31.37 2fdg s GLN 113 CO 0.34 -1.01 1.09 -1.25 -2.12 0.00 0.00 175.29 172.33 2fdg s PRO 114 N 1.33 4.10 0.00 2.91 0.04 -1.26 -4.77 135.00 137.35 2fdg s PRO 114 Ca 0.11 1.61 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2fdg s PRO 114 Cb -0.19 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.79 2fdg s PRO 114 CO -0.19 -0.22 0.60 -0.40 0.04 0.00 0.00 177.00 176.83 2fdg n ASP 115 N -0.08 1.15 -3.75 6.66 5.68 -0.86 -4.98 116.55 120.37 2fdg n ASP 115 Ca 0.05 -1.31 -0.12 0.00 -0.50 0.00 0.00 54.79 52.91 2fdg n ASP 115 Cb 0.49 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.35 2fdg n ASP 115 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2fdg s ALA 116 N -0.31 -0.77 -0.20 2.12 0.00 -1.03 -0.92 121.76 120.65 2fdg s ALA 116 Ca 0.00 0.98 -0.04 0.00 0.00 0.00 0.00 51.96 52.90 2fdg s ALA 116 Cb 0.00 -0.58 0.07 0.00 0.00 0.00 0.00 23.12 22.60 2fdg s ALA 116 CO 0.00 -0.17 0.08 0.00 0.00 0.00 0.00 175.76 175.67 2fdg s LEU 118 N 2.04 4.12 -0.31 0.00 2.96 -0.72 -2.19 118.68 124.57 2fdg s LEU 118 Ca 0.02 0.98 -0.09 0.00 -0.22 0.00 0.00 54.13 54.82 2fdg s LEU 118 Cb -0.16 -3.08 -0.00 0.00 0.50 0.00 0.00 46.19 43.44 2fdg s LEU 118 CO -0.13 -0.40 0.15 -0.63 -1.32 0.00 0.00 176.35 174.02 2fdg s ILE 119 N 2.36 4.55 -0.17 6.68 1.01 0.39 -1.43 121.20 134.58 2fdg s ILE 119 Ca 0.33 -0.47 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2fdg s ILE 119 Cb -0.16 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2fdg s ILE 119 CO 0.10 0.05 0.11 0.20 0.00 0.00 0.00 174.94 175.39 2fdg s ASN 120 N 1.60 6.03 -0.17 3.58 0.02 0.31 -2.02 114.94 124.28 2fdg s ASN 120 Ca 0.04 0.23 -0.01 0.00 -1.02 0.00 0.00 52.86 52.10 2fdg s ASN 120 Cb -0.17 -2.02 -0.01 0.00 0.02 0.00 0.00 41.25 39.07 2fdg s ASN 120 CO 0.06 0.23 -0.11 -0.60 0.02 0.00 0.00 177.10 176.70 2fdg s ARG 121 N 0.02 3.30 -0.31 -0.60 3.52 0.11 -1.01 118.95 123.98 2fdg s ARG 121 Ca 0.08 -0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 54.92 2fdg s ARG 121 Cb -0.12 -2.75 0.02 0.00 -1.56 0.00 0.00 34.95 30.54 2fdg s ARG 121 CO -0.00 -0.01 0.09 0.71 -0.81 0.00 0.00 175.30 175.28 2fdg s TYR 122 N 0.93 3.18 0.62 5.12 1.51 0.55 -1.81 117.35 127.45 2fdg s TYR 122 Ca -0.02 -1.12 -0.08 0.00 -1.01 0.00 0.00 57.07 54.83 2fdg s TYR 122 Cb -0.15 -2.26 0.01 0.00 -0.11 0.00 0.00 41.96 39.44 2fdg s TYR 122 CO -0.01 -0.63 0.96 0.00 -1.11 0.00 0.00 175.55 174.77 2fdg s ALA 123 N 1.47 3.17 0.11 3.71 0.00 -1.26 -2.17 121.76 126.78 2fdg s ALA 123 Ca 0.01 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 2fdg s ALA 123 Cb -0.18 -2.75 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 2fdg s ALA 123 CO 0.03 -0.88 1.78 -2.14 0.00 0.00 0.00 175.76 174.54 2fdg s PRO 124 N -5.10 4.15 0.00 0.00 0.02 -1.26 -1.54 135.00 131.27 2fdg s PRO 124 Ca 0.55 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.09 2fdg s PRO 124 Cb -0.11 -3.60 0.00 0.00 0.02 0.00 0.00 34.50 30.82 2fdg s PRO 124 CO 0.48 -0.81 0.00 0.41 -0.33 0.00 0.00 177.00 176.74 2fdg n GLY 125 N 4.17 0.97 3.75 0.52 0.00 0.19 -4.91 105.19 109.88 2fdg n GLY 125 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2fdg n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fdg s ALA 126 N -2.25 3.54 0.27 4.61 0.00 -0.59 -4.26 121.76 123.09 2fdg s ALA 126 Ca 0.00 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.21 2fdg s ALA 126 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2fdg s ALA 126 CO 0.00 -0.63 0.15 -1.59 0.00 0.00 0.00 175.76 173.68 2fdg s LYS 127 N -0.97 1.45 -0.16 0.00 -2.85 -1.26 -1.71 119.74 114.25 2fdg s LYS 127 Ca 0.54 -1.80 -0.04 0.00 -1.00 0.00 0.00 55.97 53.66 2fdg s LYS 127 Cb -0.39 0.02 0.08 0.00 -2.06 0.00 0.00 37.83 35.47 2fdg s LYS 127 CO 0.46 -0.42 0.23 -1.17 0.10 0.00 0.00 175.35 174.56 2fdg s LEU 128 N -3.30 -0.20 0.78 2.77 2.96 -0.72 -4.18 118.68 116.80 2fdg s LEU 128 Ca 0.38 0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 54.36 2fdg s LEU 128 Cb 0.06 0.51 0.06 0.00 0.50 0.00 0.00 46.19 47.32 2fdg s LEU 128 CO 0.16 -0.28 1.09 -0.94 -1.32 0.00 0.00 176.35 175.06 2fdg s SER 129 N 2.36 4.64 -0.07 3.68 1.04 -1.26 -0.64 113.70 123.47 2fdg s SER 129 Ca 0.04 1.32 -0.37 0.00 0.48 0.00 0.00 55.95 57.43 2fdg s SER 129 Cb -0.14 -2.08 -0.15 0.00 0.10 0.00 0.00 66.02 63.76 2fdg s SER 129 CO -0.10 -1.87 1.65 0.18 0.98 0.00 0.00 173.24 174.07 2fdg n LEU 130 N -3.37 2.57 -3.90 2.42 4.77 -1.25 -4.56 117.00 113.66 2fdg n LEU 130 Ca 0.07 1.06 -0.08 0.00 -0.03 0.00 0.00 56.01 57.03 2fdg n LEU 130 Cb 0.56 -1.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.37 2fdg n LEU 130 CO 0.56 -0.48 0.38 -1.38 -1.33 0.00 0.00 177.39 175.15 2fdg s HIS 131 N 2.44 0.07 0.14 -1.77 -3.43 -0.41 -4.86 115.29 107.46 2fdg s HIS 131 Ca 0.90 -0.52 0.11 0.00 -0.80 0.00 0.00 55.06 54.75 2fdg s HIS 131 Cb -0.88 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 30.77 2fdg s HIS 131 CO 0.53 -1.21 -0.24 -0.65 -2.00 0.00 0.00 174.74 171.17 2fdg s GLN 132 N -3.69 1.51 -0.67 -0.38 -0.21 -1.26 -0.35 119.66 114.60 2fdg s GLN 132 Ca 0.16 -1.35 -0.14 0.00 0.02 0.00 0.00 55.36 54.05 2fdg s GLN 132 Cb -0.04 -1.94 0.17 0.00 1.00 0.00 0.00 33.01 32.20 2fdg s GLN 132 CO 0.09 0.45 0.61 -0.51 -2.12 0.00 0.00 175.29 173.80 2fdg s ASP 133 N -2.22 6.35 -0.21 5.90 1.11 -1.26 -4.89 116.67 121.46 2fdg s ASP 133 Ca 0.16 -2.30 0.18 0.00 0.18 0.00 0.00 52.55 50.78 2fdg s ASP 133 Cb -0.10 -2.17 0.47 0.00 1.07 0.00 0.00 42.92 42.20 2fdg s ASP 133 CO 0.08 -0.68 1.15 2.29 1.18 0.00 0.00 175.17 179.20 2fdg n LYS 134 N 4.50 1.82 0.00 8.23 2.85 -1.26 -4.78 118.16 129.52 2fdg n LYS 134 Ca 0.01 -3.34 0.10 0.00 -1.05 0.00 0.00 58.31 54.04 2fdg n LYS 134 Cb 0.43 -1.44 -0.02 0.00 -0.65 0.00 0.00 35.03 33.35 2fdg n LYS 134 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2fdg n ASP 135 N -0.46 1.86 -4.78 -5.58 10.43 -1.26 -4.94 116.55 111.82 2fdg n ASP 135 Ca 0.17 -1.43 -0.39 0.00 2.57 0.00 0.00 54.79 55.71 2fdg n ASP 135 Cb 0.90 0.54 -0.06 0.00 1.84 0.00 0.00 41.12 44.34 2fdg n ASP 135 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2fdg s GLU 136 N -2.46 4.55 0.22 -1.24 8.01 -1.26 -4.86 118.70 121.66 2fdg s GLU 136 Ca 0.17 1.16 -0.08 0.00 0.01 0.00 0.00 54.97 56.23 2fdg s GLU 136 Cb 0.17 -3.19 0.18 0.00 -4.31 0.00 0.00 34.13 26.99 2fdg s GLU 136 CO 0.58 0.53 1.83 -1.00 0.01 0.00 0.00 175.26 177.21 2fdg h PRO 137 N 4.13 1.21 -4.70 0.39 0.13 -1.80 -3.39 132.00 127.97 2fdg h PRO 137 Ca -0.47 -0.17 -0.67 0.00 -0.87 0.00 0.00 66.00 63.82 2fdg h PRO 137 Cb 1.20 -0.22 -0.37 0.00 0.13 0.00 0.00 31.00 31.74 2fdg h PRO 137 CO 0.66 0.91 -0.70 0.34 -0.23 0.00 0.00 178.00 178.98 2fdg s ASP 138 N -6.25 4.81 0.00 1.44 -1.08 -1.26 -4.97 116.67 109.36 2fdg s ASP 138 Ca -0.13 -1.84 0.21 0.00 -0.52 0.00 0.00 52.55 50.27 2fdg s ASP 138 Cb 0.16 -1.66 1.23 0.00 -1.46 0.00 0.00 42.92 41.19 2fdg s ASP 138 CO 0.83 -0.35 1.63 0.18 0.52 0.00 0.00 175.17 177.97 2fdg n LEU 139 N 4.41 0.00 0.08 -1.34 4.77 -1.26 -2.19 117.00 121.47 2fdg n LEU 139 Ca -0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 2fdg n LEU 139 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2fdg n LEU 139 CO 0.24 0.00 0.08 0.03 -1.33 0.00 0.00 177.39 176.41 2fdg h ARG 140 N 0.00 0.00 -6.52 3.23 3.08 -1.95 -3.45 114.38 108.77 2fdg h ARG 140 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 2fdg h ARG 140 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 2fdg h ARG 140 CO 0.00 0.39 0.62 0.00 -1.07 0.00 0.00 179.97 179.91 2fdg s ALA 141 N -2.96 3.47 1.03 0.04 0.00 -0.93 -4.68 121.76 117.74 2fdg s ALA 141 Ca 0.00 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 2fdg s ALA 141 Cb 0.08 -3.48 0.21 0.00 0.00 0.00 0.00 23.12 19.93 2fdg s ALA 141 CO 0.78 -0.50 1.15 -1.25 0.00 0.00 0.00 175.76 175.94 2fdg s PRO 142 N 1.01 0.16 -0.11 0.00 0.04 -1.26 -4.96 135.00 129.88 2fdg s PRO 142 Ca 0.61 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.78 2fdg s PRO 142 Cb -0.32 -1.74 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2fdg s PRO 142 CO 0.30 -2.83 -0.17 0.42 0.04 0.00 0.00 177.00 174.76 2fdg s ILE 143 N -3.22 1.63 -0.35 0.56 1.01 -0.97 -4.61 121.20 115.23 2fdg s ILE 143 Ca 0.68 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 60.45 2fdg s ILE 143 Cb -0.12 -1.46 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 2fdg s ILE 143 CO 0.55 0.47 0.34 -0.69 0.00 0.00 0.00 174.94 175.60 2fdg s VAL 144 N 0.80 5.19 -0.22 2.92 1.01 -1.04 -0.43 120.40 128.63 2fdg s VAL 144 Ca -0.10 -0.10 -0.10 0.00 0.00 0.00 0.00 61.98 61.68 2fdg s VAL 144 Cb -0.16 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2fdg s VAL 144 CO 0.01 -0.12 0.14 -0.55 0.00 0.00 0.00 175.10 174.58 2fdg s SER 145 N 1.74 6.08 -0.14 3.32 0.15 0.91 -0.92 113.70 124.84 2fdg s SER 145 Ca 0.10 0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.90 2fdg s SER 145 Cb -0.17 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.08 2fdg s SER 145 CO 0.11 0.11 -0.16 -0.69 1.20 0.00 0.00 173.24 173.81 2fdg s VAL 146 N 0.78 1.68 -0.11 4.45 1.01 0.39 -0.95 120.40 127.65 2fdg s VAL 146 Ca 0.07 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 2fdg s VAL 146 Cb -0.13 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 2fdg s VAL 146 CO 0.02 0.48 0.03 -0.44 0.00 0.00 0.00 175.10 175.18 2fdg s SER 147 N 1.20 5.44 -0.00 3.32 0.01 -0.08 -0.81 113.70 122.78 2fdg s SER 147 Ca -0.01 0.17 0.01 0.00 1.31 0.00 0.00 55.95 57.44 2fdg s SER 147 Cb -0.14 -1.65 -0.00 0.00 0.21 0.00 0.00 66.02 64.44 2fdg s SER 147 CO -0.07 0.35 -0.04 -0.76 0.41 0.00 0.00 173.24 173.13 2fdg s LEU 148 N -0.68 2.02 0.00 2.44 1.43 0.12 -0.37 118.68 123.64 2fdg s LEU 148 Ca 0.11 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 2fdg s LEU 148 Cb -0.12 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 45.92 2fdg s LEU 148 CO 0.02 0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.25 2fdg n GLY 149 N 2.94 0.69 3.75 -3.19 0.00 -1.26 -0.40 105.19 107.71 2fdg n GLY 149 Ca -0.13 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 2fdg n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2fdg n LEU 150 N 0.00 5.09 -4.78 0.99 4.77 -0.80 -3.64 117.00 118.62 2fdg n LEU 150 Ca 0.00 1.08 -0.35 0.00 -0.03 0.00 0.00 56.01 56.70 2fdg n LEU 150 Cb 0.00 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.48 2fdg n LEU 150 CO 0.00 -0.35 0.75 -2.16 -1.33 0.00 0.00 177.39 174.30 2fdg s PRO 151 N -2.54 3.83 0.05 3.23 0.04 -1.26 -4.68 135.00 133.67 2fdg s PRO 151 Ca 0.64 1.52 0.01 0.00 0.04 0.00 0.00 61.00 63.21 2fdg s PRO 151 Cb -0.45 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 2fdg s PRO 151 CO 0.55 -0.44 -0.06 0.00 0.04 0.00 0.00 177.00 177.10 2fdg s ALA 152 N -1.78 0.56 -0.35 8.56 0.00 -0.84 -4.59 121.76 123.32 2fdg s ALA 152 Ca 0.65 -0.94 -0.15 0.00 0.00 0.00 0.00 51.96 51.52 2fdg s ALA 152 Cb -0.21 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2fdg s ALA 152 CO 0.26 -0.16 0.36 0.42 0.00 0.00 0.00 175.76 176.64 2fdg s ILE 153 N -2.35 5.17 -0.29 0.00 1.01 -1.26 -0.74 121.20 122.73 2fdg s ILE 153 Ca -0.03 0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 2fdg s ILE 153 Cb -0.03 -3.84 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 2fdg s ILE 153 CO -0.03 -0.12 0.60 0.12 0.00 0.00 0.00 174.94 175.52 2fdg s PHE 154 N 2.01 3.24 -0.09 3.97 5.36 0.87 -1.95 117.98 131.39 2fdg s PHE 154 Ca 0.12 0.62 -0.02 0.00 -0.96 0.00 0.00 56.93 56.69 2fdg s PHE 154 Cb -0.17 -2.91 -0.03 0.00 -0.34 0.00 0.00 43.02 39.57 2fdg s PHE 154 CO 0.12 -0.41 -0.00 1.14 -1.46 0.00 0.00 175.22 174.60 2fdg s GLN 155 N 2.53 3.05 -0.03 10.12 -2.07 -0.38 -0.59 119.66 132.29 2fdg s GLN 155 Ca 0.24 -0.42 -0.08 0.00 -1.82 0.00 0.00 55.36 53.29 2fdg s GLN 155 Cb -0.15 -2.81 0.01 0.00 -1.09 0.00 0.00 33.01 28.97 2fdg s GLN 155 CO 0.11 0.66 0.18 -0.59 -1.32 0.00 0.00 175.29 174.32 2fdg s PHE 156 N -0.76 -0.08 0.00 9.60 -0.12 -0.34 -1.23 117.98 125.06 2fdg s PHE 156 Ca 0.12 0.15 0.00 0.00 -0.05 0.00 0.00 56.93 57.15 2fdg s PHE 156 Cb -0.12 0.01 0.00 0.00 -0.63 0.00 0.00 43.02 42.29 2fdg s PHE 156 CO 0.02 -0.23 0.00 0.41 -0.05 0.00 0.00 175.22 175.37 2fdg n GLY 157 N 1.98 0.98 0.00 1.99 0.00 -0.22 -0.86 105.19 109.07 2fdg n GLY 157 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2fdg n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fdg n GLY 158 N 5.00 5.62 0.14 -0.02 0.00 -1.26 -4.74 105.19 109.92 2fdg n GLY 158 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 2fdg n GLY 158 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2fdg h LEU 159 N 0.00 0.12 -9.92 0.99 -0.00 -1.95 -2.67 115.31 101.88 2fdg h LEU 159 Ca 0.00 -0.08 -0.51 0.00 -0.00 0.00 0.00 57.88 57.30 2fdg h LEU 159 Cb 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 40.58 2fdg h LEU 159 CO 0.00 0.77 -0.52 -0.54 -0.00 0.00 0.00 178.44 178.15 2fdg s LYS 160 N -3.51 2.96 0.39 0.17 1.02 -1.26 -4.88 119.74 114.63 2fdg s LYS 160 Ca -0.02 -1.02 0.20 0.00 0.02 0.00 0.00 55.97 55.15 2fdg s LYS 160 Cb 0.12 -2.59 0.69 0.00 -0.52 0.00 0.00 37.83 35.52 2fdg s LYS 160 CO 0.79 0.41 1.73 -0.09 -0.92 0.00 0.00 175.35 177.27 2fdg h ARG 161 N 1.53 0.00 -0.55 1.68 2.43 -2.00 -3.18 114.38 114.29 2fdg h ARG 161 Ca -0.49 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2fdg h ARG 161 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 2fdg h ARG 161 CO 0.61 0.34 0.00 0.09 -1.51 0.00 0.00 179.97 179.50 2fdg n ASN 162 N -3.45 2.98 -4.78 -3.80 4.13 -1.26 -4.96 115.26 104.12 2fdg n ASN 162 Ca 0.00 -1.99 -0.37 0.00 1.68 0.00 0.00 54.58 53.90 2fdg n ASN 162 Cb 0.51 -0.36 -0.03 0.00 -1.54 0.00 0.00 39.78 38.35 2fdg n ASN 162 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2fdg s ASP 163 N -1.03 6.64 -0.20 6.41 -0.00 -1.20 -4.95 116.67 122.34 2fdg s ASP 163 Ca 0.37 2.12 -0.39 0.00 -0.00 0.00 0.00 52.55 54.66 2fdg s ASP 163 Cb 0.20 -2.59 -0.15 0.00 -0.00 0.00 0.00 42.92 40.37 2fdg s ASP 163 CO 0.26 -0.58 1.72 -2.65 -0.00 0.00 0.00 175.17 173.93 2fdg n PRO 164 N -0.09 1.35 -2.63 8.23 -0.02 -1.26 -4.59 135.00 136.00 2fdg n PRO 164 Ca 0.05 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.61 2fdg n PRO 164 Cb 0.49 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.73 2fdg n PRO 164 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2fdg s LEU 165 N 3.27 4.38 0.09 2.45 1.43 -1.26 -4.52 118.68 124.52 2fdg s LEU 165 Ca 0.96 1.78 0.09 0.00 -1.03 0.00 0.00 54.13 55.93 2fdg s LEU 165 Cb -0.98 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 2fdg s LEU 165 CO 0.61 -0.30 -0.21 -0.54 0.23 0.00 0.00 176.35 176.13 2fdg s LYS 166 N 0.91 1.77 0.06 1.70 1.02 -0.04 -4.95 119.74 120.21 2fdg s LYS 166 Ca 0.53 -1.16 0.06 0.00 0.02 0.00 0.00 55.97 55.42 2fdg s LYS 166 Cb -0.24 -2.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.97 2fdg s LYS 166 CO 0.29 0.49 -0.10 1.03 -0.92 0.00 0.00 175.35 176.14 2fdg s ARG 167 N -1.85 2.29 -0.12 1.68 0.52 -1.26 -1.20 118.95 119.01 2fdg s ARG 167 Ca 0.16 -0.90 -0.04 0.00 -0.52 0.00 0.00 55.73 54.42 2fdg s ARG 167 Cb -0.10 -2.36 0.06 0.00 0.52 0.00 0.00 34.95 33.06 2fdg s ARG 167 CO 0.07 0.55 0.21 -0.51 0.02 0.00 0.00 175.30 175.64 2fdg s LEU 168 N -1.79 -0.18 0.03 2.53 1.43 0.24 -4.99 118.68 115.95 2fdg s LEU 168 Ca 0.19 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 2fdg s LEU 168 Cb -0.11 0.47 -0.04 0.00 0.03 0.00 0.00 46.19 46.54 2fdg s LEU 168 CO 0.10 -0.25 1.00 -0.22 0.23 0.00 0.00 176.35 177.21 2fdg s LEU 169 N 2.35 4.40 -0.24 1.79 2.96 -1.26 -0.09 118.68 128.59 2fdg s LEU 169 Ca 0.03 1.73 -0.02 0.00 -0.22 0.00 0.00 54.13 55.65 2fdg s LEU 169 Cb -0.12 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.01 2fdg s LEU 169 CO -0.08 -0.24 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.88 2fdg s LEU 170 N 0.80 3.05 0.57 -0.68 1.43 0.08 -4.93 118.68 119.00 2fdg s LEU 170 Ca 0.52 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.88 2fdg s LEU 170 Cb -0.22 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.40 2fdg s LEU 170 CO 0.29 -0.10 0.49 -1.61 0.23 0.00 0.00 176.35 175.65 2fdg s GLU 171 N 1.34 2.24 -0.14 1.70 2.02 -1.26 -1.98 118.70 122.62 2fdg s GLU 171 Ca 0.01 -1.99 -0.36 0.00 0.02 0.00 0.00 54.97 52.65 2fdg s GLU 171 Cb -0.16 -2.19 -0.13 0.00 0.10 0.00 0.00 34.13 31.75 2fdg s GLU 171 CO -0.05 -0.72 1.83 1.58 0.02 0.00 0.00 175.26 177.91 2fdg n HIS 172 N -1.90 2.24 0.00 1.61 -0.00 -1.24 -1.51 115.22 114.42 2fdg n HIS 172 Ca 0.01 0.17 0.00 0.00 -0.00 0.00 0.00 57.72 57.90 2fdg n HIS 172 Cb 0.64 -2.60 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 2fdg n HIS 172 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2fdg n GLY 173 N 4.29 1.55 3.68 1.57 0.00 0.51 -4.52 105.19 112.27 2fdg n GLY 173 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2fdg n GLY 173 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fdg s ASP 174 N -2.93 6.62 -0.11 1.61 -0.00 -0.57 -0.46 116.67 120.84 2fdg s ASP 174 Ca 0.00 2.43 0.01 0.00 -0.00 0.00 0.00 52.55 54.99 2fdg s ASP 174 Cb 0.00 -2.56 -0.02 0.00 -0.00 0.00 0.00 42.92 40.35 2fdg s ASP 174 CO 0.00 -0.89 -0.15 -0.69 -0.00 0.00 0.00 175.17 173.44 2fdg s VAL 175 N 2.93 2.88 -0.03 -1.27 1.01 -0.55 -0.90 120.40 124.47 2fdg s VAL 175 Ca 0.74 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 62.02 2fdg s VAL 175 Cb -0.38 -2.18 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 2fdg s VAL 175 CO 0.32 0.54 -0.14 -0.69 0.00 0.00 0.00 175.10 175.13 2fdg s VAL 176 N 0.11 1.18 -0.37 2.92 1.01 -0.12 0.19 120.40 125.31 2fdg s VAL 176 Ca -0.07 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 2fdg s VAL 176 Cb -0.15 -1.02 0.06 0.00 0.00 0.00 0.00 36.38 35.27 2fdg s VAL 176 CO 0.05 0.35 0.17 -0.69 0.00 0.00 0.00 175.10 174.97 2fdg s VAL 177 N 0.06 3.85 -0.84 2.92 1.01 -0.28 -0.06 120.40 127.06 2fdg s VAL 177 Ca -0.03 -1.34 -0.22 0.00 0.00 0.00 0.00 61.98 60.40 2fdg s VAL 177 Cb -0.10 -3.29 0.08 0.00 0.00 0.00 0.00 36.38 33.07 2fdg s VAL 177 CO 0.01 -0.35 1.16 0.26 0.00 0.00 0.00 175.10 176.18 2fdg s TRP 178 N 1.37 2.75 0.51 5.22 0.52 0.43 -1.68 118.94 128.06 2fdg s TRP 178 Ca 0.01 -0.84 0.02 0.00 0.02 0.00 0.00 56.10 55.30 2fdg s TRP 178 Cb -0.21 -4.41 -0.01 0.00 -1.15 0.00 0.00 33.47 27.68 2fdg s TRP 178 CO 0.02 -1.71 0.02 0.20 0.02 0.00 0.00 176.95 175.50 2fdg s GLY 179 N 3.94 2.96 0.00 0.98 0.00 -1.10 -2.30 107.32 111.81 2fdg s GLY 179 Ca 0.32 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.50 2fdg s GLY 179 CO -0.00 -2.18 0.00 0.61 0.00 0.00 0.00 173.10 171.53 2fdg n GLY 180 N -1.27 3.78 0.25 0.20 0.00 -1.26 -2.56 105.19 104.33 2fdg n GLY 180 Ca -0.17 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 2fdg n GLY 180 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fdg h GLU 181 N 0.00 0.83 -0.04 1.61 4.81 -1.88 -3.20 114.58 116.72 2fdg h GLU 181 Ca 0.00 -0.50 0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2fdg h GLU 181 Cb 0.00 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 2fdg h GLU 181 CO 0.00 1.13 0.06 0.66 -0.73 0.00 0.00 179.01 180.13 2fdg h SER 182 N 0.65 0.00 -0.26 1.04 4.64 -0.86 -2.20 113.55 116.57 2fdg h SER 182 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2fdg h SER 182 Cb 1.09 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 2fdg h SER 182 CO 0.11 0.00 0.07 -0.09 -0.87 0.00 0.00 176.83 176.05 2fdg h ARG 183 N 0.00 0.50 -0.71 4.77 9.65 -1.55 -2.81 114.38 124.23 2fdg h ARG 183 Ca 0.02 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2fdg h ARG 183 Cb 0.14 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2fdg h ARG 183 CO -0.00 0.47 0.00 1.28 2.80 0.00 0.00 179.97 184.52 2fdg n LEU 184 N -4.34 3.90 -4.77 3.80 7.99 -0.83 -4.67 117.00 118.09 2fdg n LEU 184 Ca 0.02 -1.93 -0.40 0.00 -0.01 0.00 0.00 56.01 53.69 2fdg n LEU 184 Cb 0.19 -0.47 -0.03 0.00 -0.11 0.00 0.00 43.42 42.99 2fdg n LEU 184 CO 0.38 0.97 0.86 -0.36 -1.51 0.00 0.00 177.39 177.72 2fdg s PHE 185 N -1.05 3.27 0.10 -1.77 2.99 -1.06 -4.71 117.98 115.74 2fdg s PHE 185 Ca 0.48 1.57 -0.31 0.00 0.00 0.00 0.00 56.93 58.68 2fdg s PHE 185 Cb 0.25 -3.43 -0.07 0.00 0.00 0.00 0.00 43.02 39.78 2fdg s PHE 185 CO 0.33 -1.15 1.25 0.71 -0.00 0.00 0.00 175.22 176.36 2fdg s TYR 186 N -1.25 3.39 0.20 0.36 2.02 -1.00 -4.63 117.35 116.44 2fdg s TYR 186 Ca 0.50 1.24 -0.10 0.00 -0.37 0.00 0.00 57.07 58.33 2fdg s TYR 186 Cb -0.34 -3.49 -0.01 0.00 -0.40 0.00 0.00 41.96 37.73 2fdg s TYR 186 CO 0.43 -1.54 0.36 -3.38 -1.57 0.00 0.00 175.55 169.86 2fdg s HIS 187 N 0.85 0.41 0.09 2.71 -3.43 0.52 -1.05 115.29 115.39 2fdg s HIS 187 Ca 0.59 -0.75 -0.15 0.00 -0.80 0.00 0.00 55.06 53.95 2fdg s HIS 187 Cb -0.32 0.03 0.05 0.00 -1.43 0.00 0.00 32.58 30.91 2fdg s HIS 187 CO 0.31 -0.83 0.71 0.41 -2.00 0.00 0.00 174.74 173.35 2fdg n GLY 188 N -0.29 0.74 3.11 -1.38 0.00 -0.36 -1.29 105.19 105.71 2fdg n GLY 188 Ca -0.05 -1.05 -0.26 0.00 0.00 0.00 0.00 46.02 44.66 2fdg n GLY 188 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fdg s ILE 189 N -2.20 1.40 0.56 -0.61 -1.09 0.19 -1.25 121.20 118.20 2fdg s ILE 189 Ca 0.16 -0.67 -0.16 0.00 -2.23 0.00 0.00 60.65 57.75 2fdg s ILE 189 Cb -0.02 -1.22 -0.05 0.00 -1.58 0.00 0.00 42.46 39.59 2fdg s ILE 189 CO 0.03 0.41 1.03 -1.10 -1.23 0.00 0.00 174.94 174.07 2fdg s GLN 190 N 0.25 3.58 -0.28 2.79 -0.21 -0.82 -1.76 119.66 123.21 2fdg s GLN 190 Ca -0.08 1.10 -0.42 0.00 0.02 0.00 0.00 55.36 55.97 2fdg s GLN 190 Cb -0.13 -2.08 -0.17 0.00 1.00 0.00 0.00 33.01 31.63 2fdg s GLN 190 CO 0.03 -0.58 1.60 -2.30 -2.12 0.00 0.00 175.29 171.92 2fdg n PRO 191 N -1.85 0.69 -1.83 2.91 -0.02 -1.26 -4.67 135.00 128.98 2fdg n PRO 191 Ca 0.08 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.39 2fdg n PRO 191 Cb 0.53 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 2fdg n PRO 191 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2fdg s LEU 192 N 2.73 4.33 0.34 2.45 2.96 -0.69 -4.74 118.68 126.05 2fdg s LEU 192 Ca 0.98 2.42 -0.28 0.00 -0.22 0.00 0.00 54.13 57.03 2fdg s LEU 192 Cb -1.21 -3.53 -0.10 0.00 0.50 0.00 0.00 46.19 41.85 2fdg s LEU 192 CO 0.68 -1.04 1.32 -0.75 -1.32 0.00 0.00 176.35 175.24 2fdg s LYS 193 N 4.36 4.31 0.71 1.98 2.20 -1.26 0.55 119.74 132.59 2fdg s LYS 193 Ca 0.82 2.24 -0.14 0.00 -0.36 0.00 0.00 55.97 58.54 2fdg s LYS 193 Cb -0.38 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 32.93 2fdg s LYS 193 CO 0.36 -0.24 1.12 0.00 -0.36 0.00 0.00 175.35 176.23 2fdg s ALA 194 N -1.15 2.33 0.00 3.13 0.00 -1.26 -4.82 121.76 119.98 2fdg s ALA 194 Ca 0.50 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.97 2fdg s ALA 194 Cb -0.40 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2fdg s ALA 194 CO 0.54 -1.55 0.00 0.41 0.00 0.00 0.00 175.76 175.16 2fdg n GLY 195 N -0.57 -1.27 3.20 0.00 0.00 -1.26 -5.12 105.19 100.17 2fdg n GLY 195 Ca 0.10 -1.10 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 2fdg n GLY 195 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fdg s PHE 196 N -3.00 1.67 -0.03 1.61 5.36 -1.26 -4.60 117.98 117.73 2fdg s PHE 196 Ca 0.00 -0.34 0.00 0.00 -0.96 0.00 0.00 56.93 55.64 2fdg s PHE 196 Cb 0.00 -1.04 0.03 0.00 -0.34 0.00 0.00 43.02 41.66 2fdg s PHE 196 CO 0.00 0.02 0.00 -1.58 -1.46 0.00 0.00 175.22 172.20 2fdg s HIS 197 N -0.60 0.28 0.33 10.12 5.65 -0.92 -4.96 115.29 125.18 2fdg s HIS 197 Ca 0.07 0.01 0.08 0.00 0.25 0.00 0.00 55.06 55.47 2fdg s HIS 197 Cb -0.08 -0.38 0.81 0.00 -1.18 0.00 0.00 32.58 31.75 2fdg s HIS 197 CO 0.00 -0.12 1.79 -1.35 -0.65 0.00 0.00 174.74 174.42 2fdg h PRO 198 N 7.21 0.68 0.00 2.88 0.11 -1.99 -0.19 132.00 140.70 2fdg h PRO 198 Ca -0.43 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.41 2fdg h PRO 198 Cb 1.13 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 2fdg h PRO 198 CO 0.48 0.45 -1.69 1.28 -0.21 0.00 0.00 178.00 178.31 2fdg n LEU 199 N -4.70 0.68 -0.14 2.35 4.77 -1.26 -4.48 117.00 114.21 2fdg n LEU 199 Ca 0.22 0.31 0.03 0.00 -0.03 0.00 0.00 56.01 56.54 2fdg n LEU 199 Cb 0.60 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 2fdg n LEU 199 CO 0.24 0.26 0.19 0.35 -1.33 0.00 0.00 177.39 177.10 2fdg n THR 200 N -2.88 0.00 0.00 -5.08 -2.24 -1.21 -5.06 114.28 97.82 2fdg n THR 200 Ca -0.15 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2fdg n THR 200 Cb 0.94 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 70.24 2fdg n THR 200 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2fdg n ILE 201 N -0.30 0.00 -1.62 2.28 2.08 -0.09 -3.45 119.36 118.26 2fdg n ILE 201 Ca 0.03 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.36 2fdg n ILE 201 Cb 0.13 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.05 2fdg n ILE 201 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2fdg n ASP 202 N 2.52 0.65 -3.54 4.38 3.85 -1.26 -2.17 116.55 120.97 2fdg n ASP 202 Ca 0.00 -2.18 -0.19 0.00 -0.71 0.00 0.00 54.79 51.71 2fdg n ASP 202 Cb 0.00 -0.23 -0.08 0.00 -1.35 0.00 0.00 41.12 39.45 2fdg n ASP 202 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2fdg s ARG 204 N -3.55 1.27 0.02 0.00 3.52 -0.92 -1.91 118.95 117.38 2fdg s ARG 204 Ca 0.39 -0.56 0.07 0.00 -0.13 0.00 0.00 55.73 55.50 2fdg s ARG 204 Cb 0.03 -1.23 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 2fdg s ARG 204 CO 0.24 0.33 -0.19 0.71 -0.81 0.00 0.00 175.30 175.58 2fdg s TYR 205 N -0.35 2.53 -0.04 5.12 1.51 0.46 -0.33 117.35 126.26 2fdg s TYR 205 Ca 0.06 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.83 2fdg s TYR 205 Cb -0.06 -1.49 0.03 0.00 -0.11 0.00 0.00 41.96 40.33 2fdg s TYR 205 CO -0.01 0.19 0.03 1.21 -1.11 0.00 0.00 175.55 175.87 2fdg s ASN 206 N -1.20 0.74 -0.16 2.29 3.84 -0.18 -0.70 114.94 119.57 2fdg s ASN 206 Ca 0.13 0.02 -0.06 0.00 0.21 0.00 0.00 52.86 53.16 2fdg s ASN 206 Cb -0.10 -0.19 -0.04 0.00 -0.55 0.00 0.00 41.25 40.37 2fdg s ASN 206 CO 0.03 -0.17 0.02 -0.76 -2.79 0.00 0.00 177.10 173.44 2fdg s LEU 207 N 1.55 3.61 -0.26 3.21 1.43 0.01 -0.53 118.68 127.69 2fdg s LEU 207 Ca -0.03 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2fdg s LEU 207 Cb -0.13 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.28 2fdg s LEU 207 CO -0.03 0.20 -0.00 0.42 0.23 0.00 0.00 176.35 177.17 2fdg s THR 208 N 0.20 1.45 -0.04 5.49 -4.23 -0.52 -0.46 115.64 117.54 2fdg s THR 208 Ca 0.02 -1.39 -0.29 0.00 -1.18 0.00 0.00 61.69 58.85 2fdg s THR 208 Cb -0.13 -1.86 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 2fdg s THR 208 CO 0.01 -0.30 0.93 -0.36 -0.54 0.00 0.00 174.62 174.36 2fdg s PHE 209 N 1.39 3.61 0.08 3.99 0.40 -0.10 -1.75 117.98 125.61 2fdg s PHE 209 Ca 0.00 1.58 0.04 0.00 -0.60 0.00 0.00 56.93 57.96 2fdg s PHE 209 Cb -0.18 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.25 2fdg s PHE 209 CO -0.10 -0.03 -0.12 1.03 0.70 0.00 0.00 175.22 176.69 2fdg s ARG 210 N 1.17 0.81 -0.66 0.44 3.00 0.81 -2.51 118.95 122.01 2fdg s ARG 210 Ca 0.48 -1.03 -0.13 0.00 0.00 0.00 0.00 55.73 55.05 2fdg s ARG 210 Cb -0.20 -0.66 0.17 0.00 0.00 0.00 0.00 34.95 34.26 2fdg s ARG 210 CO 0.24 0.13 0.58 -1.14 0.00 0.00 0.00 175.30 175.11 2fdg s GLN 211 N -2.18 3.14 -0.07 3.54 0.74 -1.26 -2.04 119.66 121.52 2fdg s GLN 211 Ca 0.01 -2.10 0.21 0.00 0.05 0.00 0.00 55.36 53.53 2fdg s GLN 211 Cb -0.07 -4.26 -0.31 0.00 1.10 0.00 0.00 33.01 29.47 2fdg s GLN 211 CO 0.01 -1.28 0.37 0.00 -0.55 0.00 0.00 175.29 173.84 2fdg n ALA 212 N 4.53 2.46 -1.81 1.58 0.00 -1.26 -4.53 120.51 121.48 2fdg n ALA 212 Ca 0.00 -0.72 -0.32 0.00 0.00 0.00 0.00 53.44 52.41 2fdg n ALA 212 Cb 0.43 -0.59 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 2fdg n ALA 212 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fdg s GLY 213 N -4.72 1.91 0.00 0.00 0.00 -1.26 -4.50 107.32 98.75 2fdg s GLY 213 Ca -0.08 0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.74 2fdg s GLY 213 CO 0.87 0.39 0.00 0.58 0.00 0.00 0.00 173.10 174.94