#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbd s SER 2 N 0.00 4.14 -0.04 1.61 1.04 -1.26 -5.07 113.70 114.12 2dbd s SER 2 Ca 0.00 -3.32 -0.02 0.00 0.48 0.00 0.00 55.95 53.08 2dbd s SER 2 Cb 0.00 -1.41 0.02 0.00 0.10 0.00 0.00 66.02 64.73 2dbd s SER 2 CO 0.00 -0.17 0.09 -0.55 0.98 0.00 0.00 173.24 173.60 2dbd s SER 3 N -0.66 -0.06 0.00 7.02 0.15 -1.26 -5.10 113.70 113.79 2dbd s SER 3 Ca 0.22 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.06 2dbd s SER 3 Cb -0.13 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 2dbd s SER 3 CO -0.09 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.86 2dbd n GLY 4 N 3.75 0.13 3.82 9.45 0.00 -1.26 -5.02 105.19 116.06 2dbd n GLY 4 Ca -0.21 -1.93 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 2dbd n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dbd s SER 5 N -4.00 6.86 -0.08 1.61 1.04 -1.26 -4.98 113.70 112.89 2dbd s SER 5 Ca 0.00 1.02 0.06 0.00 0.48 0.00 0.00 55.95 57.51 2dbd s SER 5 Cb 0.00 -2.28 -0.09 0.00 0.10 0.00 0.00 66.02 63.75 2dbd s SER 5 CO 0.00 0.29 0.01 -0.24 0.98 0.00 0.00 173.24 174.28 2dbd n SER 6 N 1.93 3.10 0.00 7.02 2.88 -1.26 -4.88 113.62 122.41 2dbd n SER 6 Ca -0.13 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2dbd n SER 6 Cb 0.52 0.55 0.00 0.00 -0.75 0.00 0.00 64.21 64.53 2dbd n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dbd n GLY 7 N 2.60 -0.10 3.27 0.46 0.00 -1.26 -4.95 105.19 105.21 2dbd n GLY 7 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.44 2dbd n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dbd s HIS 8 N 0.00 3.56 -0.08 1.61 4.02 -1.26 -4.90 115.29 118.23 2dbd s HIS 8 Ca 0.00 -1.96 0.31 0.00 1.02 0.00 0.00 55.06 54.42 2dbd s HIS 8 Cb 0.00 -3.67 1.25 0.00 -1.02 0.00 0.00 32.58 29.14 2dbd s HIS 8 CO 0.00 -0.97 1.90 -1.00 1.02 0.00 0.00 174.74 175.69 2dbd h PRO 9 N 7.96 0.00 0.00 8.40 0.13 -1.92 -0.59 132.00 145.98 2dbd h PRO 9 Ca -0.04 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.71 2dbd h PRO 9 Cb 1.04 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 2dbd h PRO 9 CO 0.82 0.00 -2.44 0.72 -0.23 0.00 0.00 178.00 176.87 2dbd n HIS 10 N -2.82 0.01 0.09 1.56 8.25 -1.26 -4.06 115.22 116.99 2dbd n HIS 10 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 2dbd n HIS 10 Cb 0.28 -1.00 -0.03 0.00 1.12 0.00 0.00 29.99 30.36 2dbd n HIS 10 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2dbd h ILE 11 N 0.00 1.54 -0.28 1.59 2.04 -1.91 -3.24 117.51 117.24 2dbd h ILE 11 Ca -0.56 -2.79 -0.12 0.00 1.00 0.00 0.00 64.86 62.38 2dbd h ILE 11 Cb 2.06 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 40.69 2dbd h ILE 11 CO -0.04 0.81 -0.32 1.56 0.00 0.00 0.00 178.15 180.16 2dbd h GLN 12 N 0.07 0.60 -0.18 2.37 1.08 -1.32 -2.81 115.11 114.93 2dbd h GLN 12 Ca -0.04 -0.27 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2dbd h GLN 12 Cb 1.57 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.98 2dbd h GLN 12 CO 0.14 0.84 0.10 -0.07 -0.95 0.00 0.00 178.83 178.89 2dbd h LEU 13 N 0.51 0.21 -0.03 1.46 3.38 -1.70 0.24 115.31 119.38 2dbd h LEU 13 Ca 0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2dbd h LEU 13 Cb 0.80 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2dbd h LEU 13 CO 0.07 0.17 -0.17 -0.07 0.09 0.00 0.00 178.44 178.53 2dbd h LEU 14 N 0.25 0.21 0.12 1.67 3.38 -1.58 -0.69 115.31 118.66 2dbd h LEU 14 Ca 0.07 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 2dbd h LEU 14 Cb 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2dbd h LEU 14 CO -0.01 0.84 -0.06 0.11 0.09 0.00 0.00 178.44 179.41 2dbd h LYS 15 N -0.42 -0.16 -0.59 1.13 1.57 -1.29 0.18 116.57 116.98 2dbd h LYS 15 Ca -0.01 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2dbd h LYS 15 Cb 0.84 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.16 2dbd h LYS 15 CO 0.04 0.02 0.14 0.77 -0.57 0.00 0.00 179.45 179.85 2dbd h SER 16 N -0.31 0.87 -1.94 0.86 0.02 -1.07 -3.15 113.55 108.82 2dbd h SER 16 Ca -0.02 -0.16 -0.65 0.00 -0.84 0.00 0.00 61.79 60.12 2dbd h SER 16 Cb 0.26 -0.23 -0.38 0.00 0.14 0.00 0.00 62.40 62.19 2dbd h SER 16 CO 0.03 0.84 -0.19 0.59 -1.14 0.00 0.00 176.83 176.96 2dbd n ASN 17 N -4.26 5.43 -0.09 3.07 3.02 -0.27 -4.76 115.26 117.40 2dbd n ASN 17 Ca 0.04 -3.72 -0.18 0.00 -0.03 0.00 0.00 54.58 50.69 2dbd n ASN 17 Cb 0.24 -0.68 -0.10 0.00 -0.61 0.00 0.00 39.78 38.62 2dbd n ASN 17 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 2dbd h ARG 18 N 2.99 0.00 -0.05 3.52 2.43 -0.60 -3.19 114.38 119.48 2dbd h ARG 18 Ca 0.32 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.40 2dbd h ARG 18 Cb 0.56 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2dbd h ARG 18 CO 0.97 0.87 -0.39 0.93 -1.51 0.00 0.00 179.97 180.84 2dbd h GLU 19 N -1.00 0.11 -0.04 0.20 4.39 -1.85 -2.70 114.58 113.69 2dbd h GLU 19 Ca -0.25 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.27 2dbd h GLU 19 Cb 1.14 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2dbd h GLU 19 CO -0.15 0.49 -0.59 1.25 -1.16 0.00 0.00 179.01 178.85 2dbd h LEU 20 N 0.09 0.13 -0.58 1.33 5.85 -1.90 -3.03 115.31 117.20 2dbd h LEU 20 Ca 0.01 -0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.50 2dbd h LEU 20 Cb 0.74 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2dbd h LEU 20 CO 0.06 0.69 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.10 2dbd h LEU 21 N 0.09 0.16 -1.34 2.25 3.38 -1.47 -2.15 115.31 116.22 2dbd h LEU 21 Ca -0.01 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2dbd h LEU 21 Cb 1.07 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2dbd h LEU 21 CO 0.08 0.79 -0.33 0.58 0.09 0.00 0.00 178.44 179.66 2dbd h VAL 22 N 0.09 1.15 0.02 1.22 2.07 -1.37 -0.70 116.25 118.74 2dbd h VAL 22 Ca -0.01 -1.15 -0.13 0.00 0.82 0.00 0.00 66.70 66.23 2dbd h VAL 22 Cb 1.22 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2dbd h VAL 22 CO 0.10 0.32 -0.68 0.74 0.02 0.00 0.00 177.57 178.07 2dbd h THR 23 N 0.00 1.36 0.36 2.57 2.02 -1.50 -3.39 112.91 114.34 2dbd h THR 23 Ca -0.00 -2.29 -0.02 0.00 0.77 0.00 0.00 66.41 64.86 2dbd h THR 23 Cb 0.61 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 2dbd h THR 23 CO 0.04 0.51 -0.17 0.45 0.37 0.00 0.00 175.52 176.72 2dbd h HIS 24 N -0.90 -0.45 -3.49 3.16 -0.00 -1.39 -3.42 115.15 108.66 2dbd h HIS 24 Ca -0.18 -0.01 -0.52 0.00 -0.00 0.00 0.00 60.37 59.66 2dbd h HIS 24 Cb 1.22 0.15 0.05 0.00 -0.00 0.00 0.00 27.41 28.83 2dbd h HIS 24 CO 0.19 -0.27 0.69 0.42 -0.00 0.00 0.00 177.93 178.96 2dbd s ILE 25 N -6.05 2.89 -0.07 2.45 1.01 -0.27 -4.64 121.20 116.52 2dbd s ILE 25 Ca -0.15 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.27 2dbd s ILE 25 Cb 0.04 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 2dbd s ILE 25 CO 0.64 0.13 -0.06 -1.14 0.00 0.00 0.00 174.94 174.51 2dbd n ARG 26 N 2.11 0.17 -4.28 2.79 3.00 -1.26 -4.80 116.66 114.39 2dbd n ARG 26 Ca 0.05 0.04 -0.35 0.00 -0.00 0.00 0.00 57.85 57.59 2dbd n ARG 26 Cb 0.42 -1.13 -0.09 0.00 0.00 0.00 0.00 32.46 31.65 2dbd n ARG 26 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2dbd s ASN 27 N -4.69 5.36 -0.12 6.15 2.47 -1.26 -5.00 114.94 117.85 2dbd s ASN 27 Ca -0.09 0.14 0.06 0.00 0.42 0.00 0.00 52.86 53.39 2dbd s ASN 27 Cb 0.02 -1.63 -0.11 0.00 -1.45 0.00 0.00 41.25 38.08 2dbd s ASN 27 CO 0.16 0.33 -0.04 0.35 -3.72 0.00 0.00 177.10 174.18 2dbd n THR 28 N 2.45 0.78 0.20 -5.21 -2.24 -1.26 -4.53 114.28 104.46 2dbd n THR 28 Ca -0.18 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.29 2dbd n THR 28 Cb 0.53 -0.85 0.61 0.00 -2.10 0.00 0.00 70.33 68.53 2dbd n THR 28 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2dbd h GLN 29 N 0.00 0.09 -0.09 -0.78 5.75 -1.98 -2.25 115.11 115.86 2dbd h GLN 29 Ca -0.30 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2dbd h GLN 29 Cb 1.58 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 30.11 2dbd h GLN 29 CO -0.01 0.06 0.04 0.00 -2.65 0.00 0.00 178.83 176.27 2dbd h LEU 31 N 0.09 0.39 -1.22 0.00 3.38 -1.69 -1.95 115.31 114.30 2dbd h LEU 31 Ca 0.03 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 2dbd h LEU 31 Cb 0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2dbd h LEU 31 CO -0.02 0.59 -0.33 0.58 0.09 0.00 0.00 178.44 179.34 2dbd h VAL 32 N 0.17 1.26 -0.14 1.22 2.07 -1.27 0.13 116.25 119.68 2dbd h VAL 32 Ca 0.07 -1.22 -0.14 0.00 0.82 0.00 0.00 66.70 66.22 2dbd h VAL 32 Cb 0.38 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2dbd h VAL 32 CO 0.01 0.36 -0.53 -0.78 0.02 0.00 0.00 177.57 176.65 2dbd h ASP 33 N 0.09 0.43 0.68 0.57 3.58 0.85 -0.45 116.42 122.17 2dbd h ASP 33 Ca 0.01 -0.22 -0.26 0.00 0.42 0.00 0.00 57.03 56.97 2dbd h ASP 33 Cb 0.63 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.52 2dbd h ASP 33 CO 0.05 0.88 -1.41 0.78 -2.88 0.00 0.00 179.24 176.66 2dbd h ASN 34 N 0.31 0.07 0.68 2.28 2.35 -1.05 -3.21 115.58 117.01 2dbd h ASN 34 Ca 0.01 -0.10 -0.18 0.00 -0.55 0.00 0.00 56.30 55.47 2dbd h ASN 34 Cb 1.03 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 39.36 2dbd h ASN 34 CO 0.09 1.09 -0.84 -0.07 -1.65 0.00 0.00 177.43 176.04 2dbd h LEU 35 N 0.01 0.14 -0.52 1.61 3.38 -0.72 -3.22 115.31 115.99 2dbd h LEU 35 Ca -0.17 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.52 2dbd h LEU 35 Cb 1.92 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 2dbd h LEU 35 CO 0.11 0.92 -0.53 -0.07 0.09 0.00 0.00 178.44 178.96 2dbd h LEU 36 N 0.06 0.65 -0.97 1.67 3.38 -1.19 0.18 115.31 119.09 2dbd h LEU 36 Ca -0.03 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.61 2dbd h LEU 36 Cb 1.47 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.98 2dbd h LEU 36 CO 0.12 1.05 0.64 0.50 0.09 0.00 0.00 178.44 180.84 2dbd h LYS 37 N 0.46 1.28 -0.01 1.13 3.64 -1.57 -0.68 116.57 120.83 2dbd h LYS 37 Ca 0.01 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2dbd h LYS 37 Cb 1.07 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2dbd h LYS 37 CO 0.10 0.85 0.00 0.09 -2.27 0.00 0.00 179.45 178.23 2dbd n ASN 38 N -4.40 0.42 -2.58 4.20 3.02 -1.18 -4.90 115.26 109.84 2dbd n ASN 38 Ca 0.11 -1.15 -0.17 0.00 -0.03 0.00 0.00 54.58 53.34 2dbd n ASN 38 Cb 0.02 -0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 2dbd n ASN 38 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2dbd n ASP 39 N -0.66 -5.16 0.01 6.41 2.03 -0.26 -4.93 116.55 113.98 2dbd n ASP 39 Ca 0.22 -0.31 -0.21 0.00 0.52 0.00 0.00 54.79 55.01 2dbd n ASP 39 Cb 0.18 -3.89 -0.14 0.00 -0.72 0.00 0.00 41.12 36.55 2dbd n ASP 39 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2dbd n TYR 40 N -4.30 1.29 -3.58 -0.67 4.02 0.03 -4.87 117.16 109.08 2dbd n TYR 40 Ca -0.04 0.28 -0.36 0.00 -0.01 0.00 0.00 57.90 57.76 2dbd n TYR 40 Cb 0.57 -1.17 -0.07 0.00 -0.02 0.00 0.00 39.34 38.65 2dbd n TYR 40 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2dbd s PHE 41 N -2.56 3.48 0.90 -0.72 0.40 -1.21 -5.03 117.98 113.25 2dbd s PHE 41 Ca -0.22 0.59 -0.12 0.00 -0.60 0.00 0.00 56.93 56.58 2dbd s PHE 41 Cb 0.07 -2.29 0.13 0.00 0.51 0.00 0.00 43.02 41.44 2dbd s PHE 41 CO 0.77 0.31 1.11 -1.12 0.70 0.00 0.00 175.22 176.99 2dbd s SER 42 N 0.25 3.53 0.12 1.36 0.01 -1.26 -4.79 113.70 112.91 2dbd s SER 42 Ca 0.16 1.15 -0.13 0.00 1.31 0.00 0.00 55.95 58.43 2dbd s SER 42 Cb -0.13 -1.79 -0.06 0.00 0.21 0.00 0.00 66.02 64.25 2dbd s SER 42 CO 0.04 -2.56 1.46 0.00 0.41 0.00 0.00 173.24 172.59 2dbd h ALA 43 N -1.50 0.50 -0.43 1.44 0.00 -1.99 -2.38 119.26 114.89 2dbd h ALA 43 Ca -0.50 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 53.90 2dbd h ALA 43 Cb 1.31 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2dbd h ALA 43 CO 0.60 0.50 -0.19 0.93 0.00 0.00 0.00 179.25 181.08 2dbd h GLU 44 N 0.57 0.85 -0.12 0.00 3.07 -1.99 -2.38 114.58 114.57 2dbd h GLU 44 Ca 0.06 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 2dbd h GLU 44 Cb 0.83 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.69 2dbd h GLU 44 CO 0.07 0.97 0.05 -0.44 -1.40 0.00 0.00 179.01 178.26 2dbd h ASP 45 N 0.75 0.16 0.22 1.42 5.19 -1.92 -2.55 116.42 119.68 2dbd h ASP 45 Ca 0.11 -0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 2dbd h ASP 45 Cb 0.72 -0.04 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 2dbd h ASP 45 CO 0.06 0.26 -0.14 0.00 -3.12 0.00 0.00 179.24 176.30 2dbd h ALA 46 N 0.91 1.54 -0.02 3.45 0.00 -1.38 -1.99 119.26 121.77 2dbd h ALA 46 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2dbd h ALA 46 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2dbd h ALA 46 CO -0.00 0.17 -0.32 1.49 0.00 0.00 0.00 179.25 180.59 2dbd h GLU 47 N 0.00 0.04 -0.04 0.00 4.81 -1.01 -2.87 114.58 115.53 2dbd h GLU 47 Ca -0.00 -0.02 -0.25 0.00 -0.13 0.00 0.00 59.36 58.96 2dbd h GLU 47 Cb 0.28 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.67 2dbd h GLU 47 CO 0.02 0.36 -0.97 0.82 -0.73 0.00 0.00 179.01 178.51 2dbd h ILE 48 N 0.04 1.29 0.16 2.32 2.04 -1.20 -2.54 117.51 119.62 2dbd h ILE 48 Ca 0.00 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.66 2dbd h ILE 48 Cb 0.59 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 2dbd h ILE 48 CO 0.04 0.68 -0.15 0.58 0.00 0.00 0.00 178.15 179.31 2dbd h VAL 49 N 0.41 0.68 0.00 1.67 2.07 -1.40 -2.31 116.25 117.36 2dbd h VAL 49 Ca -0.11 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 2dbd h VAL 49 Cb 1.61 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 2dbd h VAL 49 CO 0.19 0.00 -0.29 0.00 0.02 0.00 0.00 177.57 177.49 2dbd h ALA 51 N 1.71 1.40 -2.64 0.00 0.00 -0.96 -3.43 119.26 115.34 2dbd h ALA 51 Ca -0.00 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.33 2dbd h ALA 51 Cb 0.52 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.45 2dbd h ALA 51 CO 0.04 -0.16 0.32 0.00 0.00 0.00 0.00 179.25 179.45 2dbd h PRO 53 N 1.60 0.64 0.00 0.00 0.13 -1.90 -3.48 132.00 128.99 2dbd h PRO 53 Ca -0.47 -0.71 -0.49 0.00 -0.87 0.00 0.00 66.00 63.47 2dbd h PRO 53 Cb 1.32 0.20 -0.10 0.00 0.13 0.00 0.00 31.00 32.56 2dbd h PRO 53 CO 0.57 1.29 -0.37 0.25 -0.23 0.00 0.00 178.00 179.52 2dbd n THR 54 N -3.83 0.00 0.01 1.56 -2.24 -1.26 -5.08 114.28 103.44 2dbd n THR 54 Ca -0.10 -1.84 -0.11 0.00 -2.27 0.00 0.00 64.05 59.73 2dbd n THR 54 Cb 0.88 0.44 -0.09 0.00 -2.10 0.00 0.00 70.33 69.47 2dbd n THR 54 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2dbd h GLN 55 N 0.00 -0.11 -0.80 -0.78 5.75 -1.97 -3.21 115.11 113.98 2dbd h GLN 55 Ca -0.30 0.01 0.23 0.00 -0.15 0.00 0.00 58.65 58.44 2dbd h GLN 55 Cb 0.97 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 29.51 2dbd h GLN 55 CO 0.50 0.43 0.70 -1.35 -2.65 0.00 0.00 178.83 176.46 2dbd h PRO 56 N -0.86 0.00 -0.03 -2.39 0.11 -1.95 0.40 132.00 127.28 2dbd h PRO 56 Ca -0.01 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.88 2dbd h PRO 56 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2dbd h PRO 56 CO 0.02 0.00 -0.88 -0.44 -0.21 0.00 0.00 178.00 176.49 2dbd h ASP 57 N 0.00 0.57 0.11 -2.05 5.19 -1.98 -3.14 116.42 115.12 2dbd h ASP 57 Ca 0.38 -0.43 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2dbd h ASP 57 Cb 1.78 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 41.12 2dbd h ASP 57 CO -0.00 1.21 -0.05 0.11 -3.12 0.00 0.00 179.24 177.38 2dbd h LYS 58 N 0.27 -0.15 -0.45 3.56 1.57 -0.22 -0.83 116.57 120.33 2dbd h LYS 58 Ca -0.07 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.85 2dbd h LYS 58 Cb 1.50 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.83 2dbd h LYS 58 CO 0.16 0.11 0.34 0.28 -0.57 0.00 0.00 179.45 179.76 2dbd h VAL 59 N -0.39 0.70 0.00 0.50 2.07 -1.56 0.10 116.25 117.67 2dbd h VAL 59 Ca -0.02 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.28 2dbd h VAL 59 Cb 0.32 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2dbd h VAL 59 CO 0.03 0.00 -1.18 -0.09 0.02 0.00 0.00 177.57 176.35 2dbd h ARG 60 N 0.00 0.00 -0.17 1.57 2.43 -1.44 -3.24 114.38 113.53 2dbd h ARG 60 Ca 0.21 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.24 2dbd h ARG 60 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2dbd h ARG 60 CO -0.00 0.83 -0.45 -0.22 -1.51 0.00 0.00 179.97 178.62 2dbd h LYS 61 N 0.00 0.61 -0.72 0.20 1.63 0.62 -2.97 116.57 115.93 2dbd h LYS 61 Ca -0.09 -0.42 0.02 0.00 -0.85 0.00 0.00 60.65 59.31 2dbd h LYS 61 Cb 1.82 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 33.47 2dbd h LYS 61 CO 0.11 1.04 0.47 0.82 -3.45 0.00 0.00 179.45 178.44 2dbd h ILE 62 N 0.27 1.15 -0.76 2.00 2.04 -1.28 -1.21 117.51 119.72 2dbd h ILE 62 Ca -0.01 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2dbd h ILE 62 Cb 1.07 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2dbd h ILE 62 CO 0.10 0.17 0.49 -0.07 0.00 0.00 0.00 178.15 178.84 2dbd h LEU 63 N 0.94 0.88 -1.16 1.44 3.38 -1.58 0.14 115.31 119.35 2dbd h LEU 63 Ca 0.27 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 2dbd h LEU 63 Cb -0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2dbd h LEU 63 CO -0.08 0.65 -0.34 -0.78 0.09 0.00 0.00 178.44 177.97 2dbd h ASP 64 N 1.03 0.13 -0.00 -0.43 1.82 -1.27 -2.48 116.42 115.22 2dbd h ASP 64 Ca 0.28 -0.05 -0.13 0.00 -0.39 0.00 0.00 57.03 56.74 2dbd h ASP 64 Cb -0.10 -0.04 0.01 0.00 0.68 0.00 0.00 39.33 39.88 2dbd h ASP 64 CO -0.06 0.47 -0.52 -0.07 -1.61 0.00 0.00 179.24 177.46 2dbd h LEU 65 N 0.12 0.46 -1.18 2.28 3.38 -0.47 -3.14 115.31 116.76 2dbd h LEU 65 Ca 0.01 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 57.26 2dbd h LEU 65 Cb 0.67 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2dbd h LEU 65 CO 0.05 1.16 0.57 0.58 0.09 0.00 0.00 178.44 180.89 2dbd h VAL 66 N -0.20 1.13 -0.03 1.22 2.07 -0.66 -0.85 116.25 118.92 2dbd h VAL 66 Ca -0.06 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 2dbd h VAL 66 Cb 1.24 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2dbd h VAL 66 CO 0.10 0.19 -0.26 1.56 0.02 0.00 0.00 177.57 179.19 2dbd h GLN 67 N 1.05 0.05 0.01 1.57 4.20 -1.50 -2.45 115.11 118.04 2dbd h GLN 67 Ca 0.35 -0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.84 2dbd h GLN 67 Cb 0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 2dbd h GLN 67 CO -0.11 0.31 -0.92 0.77 -0.67 0.00 0.00 178.83 178.21 2dbd h SER 68 N 0.05 0.28 -0.49 1.46 0.02 -1.14 -3.26 113.55 110.47 2dbd h SER 68 Ca 0.01 -0.24 -0.11 0.00 -0.84 0.00 0.00 61.79 60.61 2dbd h SER 68 Cb 0.48 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2dbd h SER 68 CO 0.03 1.06 -0.11 0.11 -1.14 0.00 0.00 176.83 176.79 2dbd h LYS 69 N 0.11 0.93 0.00 3.45 1.57 -0.91 -3.50 116.57 118.22 2dbd h LYS 69 Ca -0.05 -0.35 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2dbd h LYS 69 Cb 1.56 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.82 2dbd h LYS 69 CO 0.14 1.01 0.00 0.41 -0.57 0.00 0.00 179.45 180.44 2dbd n GLY 70 N -0.23 1.14 0.25 3.86 0.00 -0.96 -4.75 105.19 104.49 2dbd n GLY 70 Ca 0.00 -2.29 0.11 0.00 0.00 0.00 0.00 46.02 43.84 2dbd n GLY 70 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dbd h GLU 71 N 0.00 0.00 -0.53 1.61 5.08 -1.89 -1.17 114.58 117.68 2dbd h GLU 71 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2dbd h GLU 71 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2dbd h GLU 71 CO 0.00 0.13 0.36 0.93 -1.00 0.00 0.00 179.01 179.44 2dbd h GLU 72 N 0.00 0.25 0.00 2.33 5.08 -1.95 -1.78 114.58 118.51 2dbd h GLU 72 Ca -0.00 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.04 2dbd h GLU 72 Cb 0.31 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 2dbd h GLU 72 CO 0.02 0.17 -2.17 0.28 -1.00 0.00 0.00 179.01 176.30 2dbd n VAL 73 N -4.45 1.13 -0.30 3.13 0.31 -0.91 -4.25 118.33 112.99 2dbd n VAL 73 Ca 0.09 -0.72 0.02 0.00 -0.01 0.00 0.00 64.34 63.72 2dbd n VAL 73 Cb 0.42 -0.51 0.21 0.00 -0.91 0.00 0.00 33.84 33.05 2dbd n VAL 73 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2dbd h SER 74 N 0.00 0.95 -0.30 4.52 0.87 -0.82 0.14 113.55 118.91 2dbd h SER 74 Ca -0.45 -0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.00 2dbd h SER 74 Cb 2.01 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.74 2dbd h SER 74 CO 0.02 0.65 -0.20 -0.08 -0.53 0.00 0.00 176.83 176.70 2dbd h GLU 75 N 1.11 0.67 -0.55 2.24 4.81 -1.55 -2.50 114.58 118.80 2dbd h GLU 75 Ca 0.35 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 2dbd h GLU 75 Cb 0.03 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2dbd h GLU 75 CO -0.11 0.91 -0.07 0.35 -0.73 0.00 0.00 179.01 179.36 2dbd h PHE 76 N 0.42 1.13 -0.07 0.92 3.04 -1.61 -1.08 116.94 119.69 2dbd h PHE 76 Ca 0.06 -0.22 0.00 0.00 3.98 0.00 0.00 57.97 61.79 2dbd h PHE 76 Cb 0.74 -0.28 -0.00 0.00 2.56 0.00 0.00 35.95 38.96 2dbd h PHE 76 CO 0.06 1.03 0.04 0.35 -2.02 0.00 0.00 178.31 177.78 2dbd h PHE 77 N 0.92 0.08 -0.05 0.41 3.57 -0.70 -2.28 116.94 118.88 2dbd h PHE 77 Ca 0.15 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2dbd h PHE 77 Cb 0.63 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2dbd h PHE 77 CO 0.04 0.06 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.74 2dbd h LEU 78 N 0.08 0.10 -1.24 0.59 3.38 -1.39 -2.79 115.31 114.05 2dbd h LEU 78 Ca 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2dbd h LEU 78 Cb -0.00 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2dbd h LEU 78 CO -0.01 0.47 0.17 0.22 0.09 0.00 0.00 178.44 179.38 2dbd h TYR 79 N 0.09 0.70 -0.28 1.13 5.03 -0.74 -2.37 116.97 120.53 2dbd h TYR 79 Ca 0.01 -0.04 -0.12 0.00 2.58 0.00 0.00 58.73 61.16 2dbd h TYR 79 Cb 0.70 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 2dbd h TYR 79 CO 0.01 0.56 -0.33 -0.07 -1.32 0.00 0.00 178.16 177.00 2dbd h LEU 80 N 0.69 0.62 -1.77 2.82 3.38 -1.14 -2.15 115.31 117.76 2dbd h LEU 80 Ca 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 2dbd h LEU 80 Cb 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2dbd h LEU 80 CO -0.01 0.91 0.01 -0.07 0.09 0.00 0.00 178.44 179.37 2dbd h LEU 81 N 0.51 0.14 0.20 1.67 3.38 -1.39 0.52 115.31 120.34 2dbd h LEU 81 Ca 0.06 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 2dbd h LEU 81 Cb 0.82 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.56 2dbd h LEU 81 CO 0.07 0.16 -1.35 -0.61 0.09 0.00 0.00 178.44 176.80 2dbd h GLN 82 N 0.16 0.43 -0.19 1.13 4.15 -1.37 -2.99 115.11 116.41 2dbd h GLN 82 Ca 0.04 -0.73 -0.10 0.00 0.77 0.00 0.00 58.65 58.63 2dbd h GLN 82 Cb 0.09 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.05 2dbd h GLN 82 CO -0.00 1.35 -0.26 0.37 -1.93 0.00 0.00 178.83 178.36 2dbd h GLN 83 N -0.05 0.52 0.00 1.69 4.15 -1.02 -2.93 115.11 117.47 2dbd h GLN 83 Ca -0.25 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 58.87 2dbd h GLN 83 Cb 1.98 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.69 2dbd h GLN 83 CO 0.21 0.89 0.00 1.28 -1.93 0.00 0.00 178.83 179.28 2dbd n LEU 84 N -4.39 0.56 0.05 -2.39 4.77 0.18 -2.98 117.00 112.80 2dbd n LEU 84 Ca -0.06 0.65 0.21 0.00 -0.03 0.00 0.00 56.01 56.78 2dbd n LEU 84 Cb 0.45 -0.58 0.73 0.00 -2.33 0.00 0.00 43.42 41.69 2dbd n LEU 84 CO 0.43 -0.54 1.19 0.00 -1.33 0.00 0.00 177.39 177.14 2dbd h ALA 85 N 2.28 2.24 -0.26 -1.18 0.00 -1.36 0.16 119.26 121.15 2dbd h ALA 85 Ca 0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2dbd h ALA 85 Cb 0.32 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2dbd h ALA 85 CO 0.00 -0.73 0.18 -0.44 0.00 0.00 0.00 179.25 178.26 2dbd h ASP 86 N 0.00 0.08 0.00 0.00 3.32 -1.74 -2.81 116.42 115.27 2dbd h ASP 86 Ca 0.23 -0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.94 2dbd h ASP 86 Cb 1.19 -0.02 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 2dbd h ASP 86 CO -0.00 0.05 -2.27 0.00 -1.72 0.00 0.00 179.24 175.30 2dbd n ALA 87 N -2.56 1.54 -2.22 3.45 0.00 0.44 -4.93 120.51 116.22 2dbd n ALA 87 Ca 0.03 -1.14 -0.42 0.00 0.00 0.00 0.00 53.44 51.90 2dbd n ALA 87 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 2dbd n ALA 87 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2dbd s TYR 88 N -2.45 2.71 -0.48 0.00 1.51 -0.55 -4.90 117.35 113.19 2dbd s TYR 88 Ca -0.15 0.75 0.03 0.00 -1.01 0.00 0.00 57.07 56.69 2dbd s TYR 88 Cb 0.06 -3.67 0.63 0.00 -0.11 0.00 0.00 41.96 38.87 2dbd s TYR 88 CO 0.68 -2.54 1.92 1.33 -1.11 0.00 0.00 175.55 175.84 2dbd n VAL 89 N 4.91 3.25 0.00 0.71 0.24 -1.26 -4.36 118.33 121.82 2dbd n VAL 89 Ca 0.14 -2.09 0.00 0.00 -2.04 0.00 0.00 64.34 60.35 2dbd n VAL 89 Cb 0.44 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 2dbd n VAL 89 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2dbd n ASP 90 N -1.12 0.36 -4.67 -1.34 9.92 -1.26 -5.05 116.55 113.39 2dbd n ASP 90 Ca 0.60 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 54.43 2dbd n ASP 90 Cb 1.52 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.97 2dbd n ASP 90 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2dbd s LEU 91 N -4.59 4.17 0.00 0.64 1.43 -1.26 -4.55 118.68 114.52 2dbd s LEU 91 Ca 0.00 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2dbd s LEU 91 Cb 0.00 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.72 2dbd s LEU 91 CO 0.00 -0.53 0.00 -1.14 0.23 0.00 0.00 176.35 174.91 2dbd n ARG 92 N 5.58 0.00 0.21 1.70 0.63 -1.26 -4.84 116.66 118.69 2dbd n ARG 92 Ca 0.09 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 57.08 2dbd n ARG 92 Cb 0.48 0.00 0.52 0.00 0.45 0.00 0.00 32.46 33.91 2dbd n ARG 92 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 2dbd h PRO 93 N 0.00 0.05 0.01 -0.14 0.11 -2.00 -2.59 132.00 127.44 2dbd h PRO 93 Ca 0.00 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 2dbd h PRO 93 Cb 0.00 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.11 2dbd h PRO 93 CO 0.00 0.16 -0.36 2.35 -0.21 0.00 0.00 178.00 179.94 2dbd h TRP 94 N 0.05 0.34 -0.40 0.65 7.01 -1.93 -1.78 115.95 119.89 2dbd h TRP 94 Ca 0.01 -0.19 0.09 0.00 2.11 0.00 0.00 58.89 60.91 2dbd h TRP 94 Cb 0.23 -0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 2dbd h TRP 94 CO 0.00 1.02 0.28 -0.07 -2.79 0.00 0.00 178.44 176.88 2dbd h LEU 95 N -0.43 0.11 0.01 0.65 3.38 -1.89 0.63 115.31 117.77 2dbd h LEU 95 Ca -0.05 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 2dbd h LEU 95 Cb 1.13 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2dbd h LEU 95 CO 0.07 0.07 -1.41 -0.07 0.09 0.00 0.00 178.44 177.19 2dbd h LEU 96 N 0.13 0.02 0.34 1.67 3.38 -1.50 -2.78 115.31 116.56 2dbd h LEU 96 Ca 0.19 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2dbd h LEU 96 Cb 0.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dbd h LEU 96 CO -0.02 1.03 -0.16 -0.33 0.09 0.00 0.00 178.44 179.04 2dbd h GLU 97 N 0.00 -0.44 0.00 1.13 4.39 -0.24 -3.26 114.58 116.16 2dbd h GLU 97 Ca -0.17 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2dbd h GLU 97 Cb 1.91 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 2dbd h GLU 97 CO 0.10 -0.15 -0.30 -0.84 -1.16 0.00 0.00 179.01 176.66 2dbd h ILE 98 N -1.01 1.10 -4.55 3.13 3.07 -1.12 -3.48 117.51 114.65 2dbd h ILE 98 Ca -0.05 -1.07 0.00 0.00 1.55 0.00 0.00 64.86 65.30 2dbd h ILE 98 Cb 0.49 1.59 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 2dbd h ILE 98 CO 0.08 0.29 -0.65 0.61 -1.05 0.00 0.00 178.15 177.43 2dbd n GLY 99 N -0.54 -3.44 3.69 0.16 0.00 -1.05 -4.97 105.19 99.04 2dbd n GLY 99 Ca -0.02 0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.98 2dbd n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dbd s PHE 100 N -1.34 3.46 0.01 1.61 5.36 -1.23 -5.05 117.98 120.81 2dbd s PHE 100 Ca 0.03 1.01 -0.25 0.00 -0.96 0.00 0.00 56.93 56.76 2dbd s PHE 100 Cb -0.01 -2.75 0.06 0.00 -0.34 0.00 0.00 43.02 39.98 2dbd s PHE 100 CO 0.56 -0.02 0.57 0.45 -1.46 0.00 0.00 175.22 175.32 2dbd s SER 101 N 0.95 -0.52 0.07 6.13 0.15 -1.26 -5.11 113.70 114.11 2dbd s SER 101 Ca 0.31 0.39 -0.19 0.00 0.70 0.00 0.00 55.95 57.15 2dbd s SER 101 Cb -0.16 0.50 -0.07 0.00 -1.71 0.00 0.00 66.02 64.58 2dbd s SER 101 CO 0.12 -0.66 0.57 -0.55 1.20 0.00 0.00 173.24 173.92 2dbd s SER 102 N -1.62 7.06 0.00 5.45 0.15 -1.26 -4.92 113.70 118.56 2dbd s SER 102 Ca -0.08 1.26 0.00 0.00 0.70 0.00 0.00 55.95 57.83 2dbd s SER 102 Cb -0.01 -2.36 0.00 0.00 -1.71 0.00 0.00 66.02 61.94 2dbd s SER 102 CO 0.03 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.36 2dbd n GLY 103 N 1.72 -1.16 3.68 9.45 0.00 -1.26 -5.13 105.19 112.49 2dbd n GLY 103 Ca -0.10 0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2dbd n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dbd s PRO 104 N 0.00 4.25 0.40 1.61 0.04 -1.26 -5.02 135.00 135.02 2dbd s PRO 104 Ca 0.00 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 62.96 2dbd s PRO 104 Cb 0.00 -3.70 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 2dbd s PRO 104 CO 0.00 -0.66 0.69 -1.12 0.04 0.00 0.00 177.00 175.95 2dbd s SER 105 N 2.23 6.37 -0.10 6.66 0.01 -1.26 -5.08 113.70 122.54 2dbd s SER 105 Ca 0.65 0.86 -0.12 0.00 1.31 0.00 0.00 55.95 58.64 2dbd s SER 105 Cb -0.30 -2.21 -0.05 0.00 0.21 0.00 0.00 66.02 63.67 2dbd s SER 105 CO 0.25 -0.40 0.30 -0.55 0.41 0.00 0.00 173.24 173.24 2dbd s SER 106 N -3.65 6.55 0.00 2.44 0.15 -1.26 -5.19 113.70 112.74 2dbd s SER 106 Ca 0.46 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.77 2dbd s SER 106 Cb -0.10 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.03 2dbd s SER 106 CO 0.37 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.67