#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 7.09 -0.18 1.61 0.01 -1.26 -4.97 113.70 116.00 2dbd s SER 2 Ca 0.00 2.34 -0.17 0.00 1.31 0.00 0.00 55.95 59.43 2dbd s SER 2 Cb 0.00 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.55 2dbd s SER 2 CO 0.00 -0.32 -0.34 -1.20 0.41 0.00 0.00 173.24 171.79 2dbd n SER 3 N 1.71 1.93 -2.79 2.44 7.64 -1.26 -5.03 113.62 118.26 2dbd n SER 3 Ca 0.02 0.35 -0.12 0.00 1.01 0.00 0.00 58.87 60.12 2dbd n SER 3 Cb 0.44 -0.75 0.08 0.00 -1.01 0.00 0.00 64.21 62.97 2dbd n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dbd n GLY 4 N 1.46 -1.16 3.32 0.23 0.00 -1.26 -5.12 105.19 102.67 2dbd n GLY 4 Ca -0.16 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.96 -0.31 0.02 1.61 1.04 -1.26 -5.17 113.70 106.67 2dbd s SER 5 Ca 0.31 0.14 0.03 0.00 0.48 0.00 0.00 55.95 56.90 2dbd s SER 5 Cb -0.01 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 2dbd s SER 5 CO 0.21 -0.58 -0.10 -0.55 0.98 0.00 0.00 173.24 173.20 2dbd s SER 6 N -1.65 1.19 -0.61 7.02 0.15 -1.26 -5.11 113.70 113.43 2dbd s SER 6 Ca -0.09 -0.36 -0.22 0.00 0.70 0.00 0.00 55.95 55.99 2dbd s SER 6 Cb -0.02 -0.07 0.07 0.00 -1.71 0.00 0.00 66.02 64.29 2dbd s SER 6 CO 0.02 0.00 0.86 -0.83 1.20 0.00 0.00 173.24 174.49 2dbd s GLY 7 N -0.87 1.52 -0.22 9.45 0.00 -1.26 -5.01 107.32 110.93 2dbd s GLY 7 Ca -0.01 -1.82 -0.29 0.00 0.00 0.00 0.00 44.72 42.60 2dbd s GLY 7 CO 0.00 1.88 1.71 0.30 0.00 0.00 0.00 173.10 176.99 2dbd s HIS 8 N 3.55 1.93 0.30 1.90 4.02 -1.26 -4.88 115.29 120.86 2dbd s HIS 8 Ca 0.20 0.48 0.19 0.00 1.02 0.00 0.00 55.06 56.95 2dbd s HIS 8 Cb -0.18 -4.02 0.89 0.00 -1.02 0.00 0.00 32.58 28.25 2dbd s HIS 8 CO 0.11 -3.23 1.85 -1.00 1.02 0.00 0.00 174.74 173.50 2dbd h PRO 9 N 11.36 0.00 0.14 8.40 0.13 -1.98 0.15 132.00 150.19 2dbd h PRO 9 Ca -0.35 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.53 2dbd h PRO 9 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2dbd h PRO 9 CO 1.00 0.31 -1.20 0.45 -0.23 0.00 0.00 178.00 178.32 2dbd h HIS 10 N 0.00 0.53 -0.15 1.56 3.86 -1.96 -3.25 115.15 115.75 2dbd h HIS 10 Ca -0.00 -0.38 -0.22 0.00 -1.16 0.00 0.00 60.37 58.61 2dbd h HIS 10 Cb 0.67 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.12 2dbd h HIS 10 CO 0.00 1.47 -0.76 0.82 0.86 0.00 0.00 177.93 180.31 2dbd h ILE 11 N -0.29 1.29 -0.07 2.45 2.04 -1.89 -3.13 117.51 117.91 2dbd h ILE 11 Ca -0.24 -1.99 0.01 0.00 1.00 0.00 0.00 64.86 63.63 2dbd h ILE 11 Cb 1.75 1.99 -0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2dbd h ILE 11 CO 0.11 0.63 0.05 -0.61 0.00 0.00 0.00 178.15 178.33 2dbd h GLN 12 N 0.50 0.08 -0.15 2.37 5.75 -0.86 -1.13 115.11 121.66 2dbd h GLN 12 Ca -0.05 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 2dbd h GLN 12 Cb 1.38 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.91 2dbd h GLN 12 CO 0.15 0.05 0.10 -0.07 -2.65 0.00 0.00 178.83 176.41 2dbd h LEU 13 N 0.08 0.17 0.18 -2.39 3.38 -1.57 -0.03 115.31 115.13 2dbd h LEU 13 Ca 0.03 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 2dbd h LEU 13 Cb 0.02 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.75 2dbd h LEU 13 CO -0.01 0.12 -1.17 -0.07 0.09 0.00 0.00 178.44 177.41 2dbd h LEU 14 N 0.20 0.59 -0.27 1.67 3.38 -1.34 -2.35 115.31 117.20 2dbd h LEU 14 Ca 0.06 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.09 2dbd h LEU 14 Cb -0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 2dbd h LEU 14 CO -0.01 1.55 0.15 0.11 0.09 0.00 0.00 178.44 180.33 2dbd h LYS 15 N -0.17 0.37 -0.33 1.13 1.57 -1.16 0.82 116.57 118.81 2dbd h LYS 15 Ca -0.21 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 2dbd h LYS 15 Cb 1.86 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 2dbd h LYS 15 CO 0.18 0.32 -0.38 1.03 -0.57 0.00 0.00 179.45 180.03 2dbd h SER 16 N 0.32 0.83 -0.85 0.86 0.87 -1.15 -3.15 113.55 111.29 2dbd h SER 16 Ca 0.09 -0.37 -0.58 0.00 -1.23 0.00 0.00 61.79 59.70 2dbd h SER 16 Cb 0.06 -0.23 -0.32 0.00 -0.44 0.00 0.00 62.40 61.47 2dbd h SER 16 CO -0.02 1.12 0.20 0.59 -0.53 0.00 0.00 176.83 178.19 2dbd n ASN 17 N -4.05 6.02 0.12 6.23 3.02 -0.88 -4.70 115.26 121.02 2dbd n ASN 17 Ca -0.02 -3.77 -0.11 0.00 -0.03 0.00 0.00 54.58 50.66 2dbd n ASN 17 Cb 0.53 -0.72 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 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 1.90 -0.36 -0.02 3.52 2.43 0.71 -0.94 114.38 121.62 2dbd h ARG 18 Ca 0.49 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.57 2dbd h ARG 18 Cb 1.27 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 2dbd h ARG 18 CO 1.17 -0.02 -0.52 0.93 -1.51 0.00 0.00 179.97 180.02 2dbd h GLU 19 N -0.92 0.06 -0.24 0.20 4.39 -1.84 -3.07 114.58 113.17 2dbd h GLU 19 Ca -0.04 -0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 2dbd h GLU 19 Cb 0.50 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2dbd h GLU 19 CO 0.06 0.57 -0.26 1.25 -1.16 0.00 0.00 179.01 179.47 2dbd h LEU 20 N 0.05 0.64 -1.82 1.33 5.85 -1.87 -3.06 115.31 116.44 2dbd h LEU 20 Ca -0.00 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.25 2dbd h LEU 20 Cb 0.94 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2dbd h LEU 20 CO 0.07 1.00 0.16 -0.07 -0.34 0.00 0.00 178.44 179.26 2dbd h LEU 21 N 0.29 0.21 -1.88 2.25 3.38 -1.11 -0.93 115.31 117.53 2dbd h LEU 21 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2dbd h LEU 21 Cb 0.83 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 2dbd h LEU 21 CO 0.06 0.15 -0.02 0.58 0.09 0.00 0.00 178.44 179.30 2dbd h VAL 22 N 0.25 1.04 0.14 1.22 2.07 -1.44 0.41 116.25 119.93 2dbd h VAL 22 Ca 0.10 -0.16 -0.33 0.00 0.82 0.00 0.00 66.70 67.12 2dbd h VAL 22 Cb 0.09 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 2dbd h VAL 22 CO -0.02 0.05 -1.67 0.74 0.02 0.00 0.00 177.57 176.69 2dbd h THR 23 N 0.05 1.00 -0.06 2.57 2.02 -1.26 -3.37 112.91 113.86 2dbd h THR 23 Ca 0.01 -2.64 -0.04 0.00 0.77 0.00 0.00 66.41 64.51 2dbd h THR 23 Cb 0.07 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.19 2dbd h THR 23 CO 0.00 0.82 -0.13 0.45 0.37 0.00 0.00 175.52 177.03 2dbd h HIS 24 N 0.08 0.24 -2.95 3.16 -0.00 -0.97 -3.43 115.15 111.29 2dbd h HIS 24 Ca -0.30 -0.09 -0.57 0.00 -0.00 0.00 0.00 60.37 59.41 2dbd h HIS 24 Cb 2.05 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 29.38 2dbd h HIS 24 CO 0.07 0.73 0.87 0.42 -0.00 0.00 0.00 177.93 180.03 2dbd s ILE 25 N -3.89 4.30 -0.20 2.45 1.01 0.14 -4.44 121.20 120.58 2dbd s ILE 25 Ca -0.15 1.58 0.02 0.00 0.00 0.00 0.00 60.65 62.10 2dbd s ILE 25 Cb 0.03 -4.02 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 2dbd s ILE 25 CO 0.73 -0.12 -0.16 0.54 0.00 0.00 0.00 174.94 175.92 2dbd n ARG 26 N 6.38 0.54 -3.64 2.79 1.74 -1.26 -4.78 116.66 118.43 2dbd n ARG 26 Ca 0.13 0.11 -0.36 0.00 -0.77 0.00 0.00 57.85 56.96 2dbd n ARG 26 Cb 0.45 -1.39 -0.07 0.00 -1.02 0.00 0.00 32.46 30.42 2dbd n ARG 26 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2dbd s ASN 27 N -5.87 6.34 -0.10 0.55 0.01 -1.26 -4.96 114.94 109.64 2dbd s ASN 27 Ca -0.26 0.39 0.07 0.00 -0.71 0.00 0.00 52.86 52.36 2dbd s ASN 27 Cb 0.07 -2.14 -0.12 0.00 0.41 0.00 0.00 41.25 39.48 2dbd s ASN 27 CO 0.46 0.15 0.01 0.35 -1.51 0.00 0.00 177.10 176.57 2dbd n THR 28 N 3.44 0.69 0.12 1.60 -2.24 -1.26 -4.49 114.28 112.14 2dbd n THR 28 Ca -0.14 -0.40 -0.01 0.00 -2.27 0.00 0.00 64.05 61.24 2dbd n THR 28 Cb 0.52 -0.77 0.25 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.16 -0.60 -0.78 -0.00 -1.99 -2.40 115.11 109.51 2dbd h GLN 29 Ca -0.27 -0.08 -0.08 0.00 -0.00 0.00 0.00 58.65 58.22 2dbd h GLN 29 Cb 1.58 -0.00 -0.02 0.00 0.00 0.00 0.00 27.48 29.03 2dbd h GLN 29 CO 0.00 0.55 0.04 0.00 0.00 0.00 0.00 178.83 179.43 2dbd h LEU 31 N 0.93 0.59 -1.05 0.00 3.38 -1.74 -3.04 115.31 114.38 2dbd h LEU 31 Ca 0.18 -0.55 -0.09 0.00 0.09 0.00 0.00 57.88 57.51 2dbd h LEU 31 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2dbd h LEU 31 CO 0.02 1.03 -0.36 0.58 0.09 0.00 0.00 178.44 179.80 2dbd h VAL 32 N 0.18 1.28 0.15 1.22 2.07 -1.34 -1.88 116.25 117.94 2dbd h VAL 32 Ca 0.01 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 2dbd h VAL 32 Cb 0.93 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 2dbd h VAL 32 CO 0.07 0.41 -0.07 -0.78 0.02 0.00 0.00 177.57 177.22 2dbd h ASP 33 N 0.19 -0.17 -0.31 0.57 3.58 -0.81 0.42 116.42 119.88 2dbd h ASP 33 Ca 0.02 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 2dbd h ASP 33 Cb 0.73 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 2dbd h ASP 33 CO 0.05 -0.10 -0.08 0.78 -2.88 0.00 0.00 179.24 177.01 2dbd h ASN 34 N -0.23 0.61 -0.25 2.28 2.35 -1.48 -2.27 115.58 116.59 2dbd h ASN 34 Ca -0.02 -0.37 0.02 0.00 -0.55 0.00 0.00 56.30 55.38 2dbd h ASN 34 Cb 0.18 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2dbd h ASN 34 CO 0.03 0.83 0.17 -0.07 -1.65 0.00 0.00 177.43 176.74 2dbd h LEU 35 N 0.37 0.23 -0.07 1.61 3.38 -1.24 0.37 115.31 119.96 2dbd h LEU 35 Ca 0.08 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2dbd h LEU 35 Cb 0.57 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dbd h LEU 35 CO 0.03 0.16 -0.32 -0.07 0.09 0.00 0.00 178.44 178.33 2dbd h LEU 36 N 0.26 0.41 -1.12 1.67 3.38 -0.69 0.57 115.31 119.79 2dbd h LEU 36 Ca 0.10 -0.64 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 2dbd h LEU 36 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2dbd h LEU 36 CO -0.02 0.98 -0.18 0.50 0.09 0.00 0.00 178.44 179.81 2dbd h LYS 37 N -0.15 0.40 -0.00 1.13 3.64 -0.90 -1.90 116.57 118.79 2dbd h LYS 37 Ca -0.02 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2dbd h LYS 37 Cb 0.97 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 2dbd h LYS 37 CO 0.07 0.58 0.00 0.09 -2.27 0.00 0.00 179.45 177.91 2dbd n ASN 38 N -4.18 0.30 -3.11 4.20 5.03 0.07 -4.91 115.26 112.67 2dbd n ASN 38 Ca -0.00 -1.11 -0.18 0.00 0.87 0.00 0.00 54.58 54.16 2dbd n ASN 38 Cb 0.34 -0.00 0.07 0.00 -1.02 0.00 0.00 39.78 39.18 2dbd n ASN 38 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2dbd n ASP 39 N -0.76 -4.02 -0.07 6.41 8.00 -0.71 -4.93 116.55 120.46 2dbd n ASP 39 Ca 0.23 -0.49 -0.10 0.00 0.71 0.00 0.00 54.79 55.14 2dbd n ASP 39 Cb 0.16 -4.40 -0.08 0.00 -0.02 0.00 0.00 41.12 36.77 2dbd n ASP 39 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2dbd n TYR 40 N -4.19 0.00 -4.18 1.24 4.02 0.19 -4.98 117.16 109.27 2dbd n TYR 40 Ca -0.11 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.43 2dbd n TYR 40 Cb 0.59 -0.62 -0.10 0.00 -0.02 0.00 0.00 39.34 39.20 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 -2.31 3.21 0.74 -0.72 0.40 -0.89 -5.00 117.98 113.40 2dbd s PHE 41 Ca -0.17 0.08 -0.11 0.00 -0.60 0.00 0.00 56.93 56.13 2dbd s PHE 41 Cb 0.05 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.66 2dbd s PHE 41 CO 0.41 0.27 1.09 -1.12 0.70 0.00 0.00 175.22 176.57 2dbd s SER 42 N -0.15 5.08 0.25 1.36 0.01 -1.26 -4.63 113.70 114.36 2dbd s SER 42 Ca 0.06 1.28 -0.03 0.00 1.31 0.00 0.00 55.95 58.57 2dbd s SER 42 Cb -0.12 -2.08 0.30 0.00 0.21 0.00 0.00 66.02 64.33 2dbd s SER 42 CO 0.02 -1.59 1.74 0.00 0.41 0.00 0.00 173.24 173.81 2dbd h ALA 43 N -0.83 1.06 -0.39 1.44 0.00 -2.00 -2.81 119.26 115.73 2dbd h ALA 43 Ca -0.46 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.05 2dbd h ALA 43 Cb 1.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dbd h ALA 43 CO 0.61 0.59 -0.25 0.93 0.00 0.00 0.00 179.25 181.13 2dbd h GLU 44 N 0.76 0.81 -0.11 0.00 3.07 -2.00 -3.05 114.58 114.06 2dbd h GLU 44 Ca 0.14 -0.34 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 2dbd h GLU 44 Cb 0.49 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 2dbd h GLU 44 CO 0.02 0.97 0.05 -0.44 -1.40 0.00 0.00 179.01 178.21 2dbd h ASP 45 N 0.70 0.06 -0.20 1.42 5.19 -1.88 -1.86 116.42 119.85 2dbd h ASP 45 Ca 0.09 0.01 0.06 0.00 -0.62 0.00 0.00 57.03 56.57 2dbd h ASP 45 Cb 0.78 -0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2dbd h ASP 45 CO 0.06 0.06 0.16 0.00 -3.12 0.00 0.00 179.24 176.39 2dbd h ALA 46 N 1.06 2.11 -0.01 3.45 0.00 -1.47 -0.12 119.26 124.28 2dbd h ALA 46 Ca 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 2dbd h ALA 46 Cb 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2dbd h ALA 46 CO -0.04 -0.26 -0.64 1.49 0.00 0.00 0.00 179.25 179.80 2dbd h GLU 47 N 0.00 0.04 -0.01 0.00 4.81 -1.24 -2.83 114.58 115.34 2dbd h GLU 47 Ca 0.10 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 2dbd h GLU 47 Cb 0.41 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2dbd h GLU 47 CO -0.00 0.66 -0.78 0.82 -0.73 0.00 0.00 179.01 178.98 2dbd h ILE 48 N 0.03 1.48 -0.08 2.32 2.04 -0.62 -2.90 117.51 119.78 2dbd h ILE 48 Ca -0.01 -2.46 -0.03 0.00 1.00 0.00 0.00 64.86 63.36 2dbd h ILE 48 Cb 1.14 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 39.55 2dbd h ILE 48 CO 0.09 0.71 -0.08 0.58 0.00 0.00 0.00 178.15 179.45 2dbd h VAL 49 N 0.10 1.37 0.00 1.67 2.07 -1.38 -3.07 116.25 117.01 2dbd h VAL 49 Ca -0.03 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.22 2dbd h VAL 49 Cb 1.37 2.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.17 2dbd h VAL 49 CO 0.12 0.35 -0.10 0.00 0.02 0.00 0.00 177.57 177.96 2dbd h ALA 51 N 1.90 1.96 -2.93 0.00 0.00 -1.41 -3.43 119.26 115.36 2dbd h ALA 51 Ca -0.00 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 2dbd h ALA 51 Cb 0.22 0.02 0.15 0.00 0.00 0.00 0.00 17.79 18.18 2dbd h ALA 51 CO 0.01 -0.39 0.44 0.00 0.00 0.00 0.00 179.25 179.31 2dbd h PRO 53 N 1.13 0.51 0.00 0.00 0.13 -1.90 -3.48 132.00 128.39 2dbd h PRO 53 Ca -0.50 -0.58 -0.48 0.00 -0.87 0.00 0.00 66.00 63.58 2dbd h PRO 53 Cb 1.33 0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.52 2dbd h PRO 53 CO 0.55 1.21 -0.38 0.25 -0.23 0.00 0.00 178.00 179.39 2dbd n THR 54 N -3.77 0.00 0.04 1.56 -2.24 -1.26 -5.08 114.28 103.54 2dbd n THR 54 Ca -0.09 -1.94 -0.11 0.00 -2.27 0.00 0.00 64.05 59.64 2dbd n THR 54 Cb 0.88 0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.18 -0.91 -0.78 5.75 -1.97 -3.01 115.11 114.02 2dbd h GLN 55 Ca -0.28 0.01 0.26 0.00 -0.15 0.00 0.00 58.65 58.49 2dbd h GLN 55 Cb 1.01 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.56 2dbd h GLN 55 CO 0.46 0.28 0.81 -1.35 -2.65 0.00 0.00 178.83 176.38 2dbd h PRO 56 N -0.81 0.00 0.04 -2.39 0.11 -1.93 0.71 132.00 127.72 2dbd h PRO 56 Ca -0.02 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.84 2dbd h PRO 56 Cb 0.54 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2dbd h PRO 56 CO 0.03 0.00 -1.25 -0.44 -0.21 0.00 0.00 178.00 176.13 2dbd h ASP 57 N 0.00 0.13 -0.31 -2.05 3.32 -1.96 -3.28 116.42 112.27 2dbd h ASP 57 Ca 0.43 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.26 2dbd h ASP 57 Cb 2.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.54 2dbd h ASP 57 CO -0.00 1.13 -0.05 0.11 -1.72 0.00 0.00 179.24 178.70 2dbd h LYS 58 N 0.02 0.57 -0.49 3.56 1.57 0.55 -2.59 116.57 119.76 2dbd h LYS 58 Ca -0.12 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.50 2dbd h LYS 58 Cb 1.88 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.13 2dbd h LYS 58 CO 0.14 0.75 0.33 0.28 -0.57 0.00 0.00 179.45 180.38 2dbd h VAL 59 N 0.35 1.01 -0.23 0.50 2.07 -1.50 -1.45 116.25 117.01 2dbd h VAL 59 Ca 0.08 -0.17 -0.17 0.00 0.82 0.00 0.00 66.70 67.26 2dbd h VAL 59 Cb 0.53 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2dbd h VAL 59 CO 0.03 0.09 -0.55 -0.09 0.02 0.00 0.00 177.57 177.07 2dbd h ARG 60 N 0.49 0.68 -0.34 1.57 2.43 -1.58 -2.52 114.38 115.11 2dbd h ARG 60 Ca 0.21 -0.43 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 2dbd h ARG 60 Cb 0.21 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2dbd h ARG 60 CO -0.05 1.05 -0.16 -0.22 -1.51 0.00 0.00 179.97 179.08 2dbd h LYS 61 N 0.52 0.62 -0.15 0.20 1.63 -0.91 -2.35 116.57 116.14 2dbd h LYS 61 Ca 0.01 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 59.55 2dbd h LYS 61 Cb 1.12 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2dbd h LYS 61 CO 0.11 0.75 -0.11 0.82 -3.45 0.00 0.00 179.45 177.57 2dbd h ILE 62 N 0.56 1.33 -0.96 2.00 2.04 -1.28 -2.33 117.51 118.87 2dbd h ILE 62 Ca 0.09 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.76 2dbd h ILE 62 Cb 0.59 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.44 2dbd h ILE 62 CO 0.04 0.36 0.62 -0.07 0.00 0.00 0.00 178.15 179.10 2dbd h LEU 63 N -0.02 1.04 -0.85 1.44 3.38 -1.37 -0.43 115.31 118.49 2dbd h LEU 63 Ca 0.03 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2dbd h LEU 63 Cb 0.62 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2dbd h LEU 63 CO 0.03 0.71 -0.12 -0.78 0.09 0.00 0.00 178.44 178.37 2dbd h ASP 64 N 1.21 0.71 0.40 -0.43 1.82 -1.39 -0.89 116.42 117.85 2dbd h ASP 64 Ca 0.38 -0.21 -0.02 0.00 -0.39 0.00 0.00 57.03 56.79 2dbd h ASP 64 Cb 0.01 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.83 2dbd h ASP 64 CO -0.12 0.86 -0.19 -0.07 -1.61 0.00 0.00 179.24 178.10 2dbd h LEU 65 N 0.66 -0.45 -1.81 2.28 3.38 -0.77 -2.59 115.31 116.00 2dbd h LEU 65 Ca 0.11 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2dbd h LEU 65 Cb 0.58 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2dbd h LEU 65 CO 0.04 -0.04 0.22 0.58 0.09 0.00 0.00 178.44 179.33 2dbd h VAL 66 N -0.97 0.96 -0.03 1.22 2.07 -1.13 0.13 116.25 118.51 2dbd h VAL 66 Ca -0.05 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 2dbd h VAL 66 Cb 0.55 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2dbd h VAL 66 CO 0.09 0.04 -0.40 1.56 0.02 0.00 0.00 177.57 178.89 2dbd h GLN 67 N 0.24 0.06 0.00 1.57 4.20 -1.13 -2.96 115.11 117.09 2dbd h GLN 67 Ca 0.14 -0.03 -0.27 0.00 0.06 0.00 0.00 58.65 58.55 2dbd h GLN 67 Cb 0.26 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 2dbd h GLN 67 CO -0.03 0.45 -1.56 0.77 -0.67 0.00 0.00 178.83 177.80 2dbd h SER 68 N 0.05 0.00 0.22 1.46 0.02 -0.67 -3.37 113.55 111.27 2dbd h SER 68 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dbd h SER 68 Cb 0.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2dbd h SER 68 CO 0.05 0.99 -0.20 0.11 -1.14 0.00 0.00 176.83 176.64 2dbd h LYS 69 N 0.00 -0.43 0.00 3.45 1.57 -0.67 -3.49 116.57 117.00 2dbd h LYS 69 Ca -0.23 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2dbd h LYS 69 Cb 1.95 0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.36 2dbd h LYS 69 CO 0.09 -0.28 0.00 0.41 -0.57 0.00 0.00 179.45 179.09 2dbd n GLY 70 N -1.32 0.73 0.07 3.86 0.00 -1.14 -4.89 105.19 102.50 2dbd n GLY 70 Ca -0.08 -1.76 -0.07 0.00 0.00 0.00 0.00 46.02 44.10 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 0.60 0.00 -0.28 1.61 5.08 -1.93 -2.41 114.58 117.25 2dbd h GLU 71 Ca 0.00 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2dbd h GLU 71 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2dbd h GLU 71 CO 0.00 0.75 0.19 1.49 -1.00 0.00 0.00 179.01 180.44 2dbd h GLU 72 N 0.00 0.16 0.00 2.33 4.81 -1.96 0.44 114.58 120.37 2dbd h GLU 72 Ca -0.13 -0.01 -0.37 0.00 -0.13 0.00 0.00 59.36 58.72 2dbd h GLU 72 Cb 1.86 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 31.14 2dbd h GLU 72 CO 0.10 0.11 -2.35 0.28 -0.73 0.00 0.00 179.01 176.42 2dbd n VAL 73 N -4.48 1.41 -0.07 0.32 0.31 -1.25 -3.90 118.33 110.67 2dbd n VAL 73 Ca 0.03 -0.84 -0.06 0.00 -0.01 0.00 0.00 64.34 63.45 2dbd n VAL 73 Cb 0.24 -0.54 0.13 0.00 -0.91 0.00 0.00 33.84 32.76 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 0.72 0.16 4.52 0.87 -1.04 0.66 113.55 119.44 2dbd h SER 74 Ca -0.53 -0.23 -0.19 0.00 -1.23 0.00 0.00 61.79 59.60 2dbd h SER 74 Cb 2.22 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.98 2dbd h SER 74 CO 0.03 0.89 -0.74 -0.08 -0.53 0.00 0.00 176.83 176.40 2dbd h GLU 75 N 0.64 0.50 -0.13 2.24 4.81 -1.12 -2.83 114.58 118.69 2dbd h GLU 75 Ca 0.10 -0.41 -0.21 0.00 -0.13 0.00 0.00 59.36 58.72 2dbd h GLU 75 Cb 0.65 0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.12 2dbd h GLU 75 CO 0.05 1.04 -0.73 0.35 -0.73 0.00 0.00 179.01 178.99 2dbd h PHE 76 N 0.34 0.98 -0.51 0.92 3.57 -1.64 -1.61 116.94 119.00 2dbd h PHE 76 Ca -0.04 -0.44 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 2dbd h PHE 76 Cb 1.33 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2dbd h PHE 76 CO 0.05 1.26 0.26 0.35 -2.23 0.00 0.00 178.31 178.01 2dbd h PHE 77 N 0.42 0.68 0.02 0.41 3.57 -0.90 -0.92 116.94 120.22 2dbd h PHE 77 Ca -0.05 -0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.21 2dbd h PHE 77 Cb 1.36 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.86 2dbd h PHE 77 CO 0.10 0.49 -1.09 -0.07 -2.23 0.00 0.00 178.31 175.51 2dbd h LEU 78 N 0.70 0.07 -0.44 0.59 3.38 -1.49 -3.27 115.31 114.84 2dbd h LEU 78 Ca 0.18 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2dbd h LEU 78 Cb 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2dbd h LEU 78 CO -0.03 1.06 -0.28 0.22 0.09 0.00 0.00 178.44 179.51 2dbd h TYR 79 N 0.01 1.13 -0.93 1.13 5.03 -0.70 -3.06 116.97 119.59 2dbd h TYR 79 Ca -0.05 -0.30 0.01 0.00 2.58 0.00 0.00 58.73 60.97 2dbd h TYR 79 Cb 1.82 -0.25 -0.05 0.00 1.55 0.00 0.00 36.73 39.80 2dbd h TYR 79 CO 0.01 1.13 0.62 -0.07 -1.32 0.00 0.00 178.16 178.53 2dbd h LEU 80 N 0.81 1.07 -2.03 2.82 3.38 -1.27 -1.41 115.31 118.67 2dbd h LEU 80 Ca 0.09 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2dbd h LEU 80 Cb 0.86 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2dbd h LEU 80 CO 0.08 0.77 0.05 -0.07 0.09 0.00 0.00 178.44 179.36 2dbd h LEU 81 N 1.26 0.00 -0.13 1.67 3.38 -1.59 0.29 115.31 120.19 2dbd h LEU 81 Ca 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 2dbd h LEU 81 Cb -0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2dbd h LEU 81 CO -0.08 0.00 -0.37 1.56 0.09 0.00 0.00 178.44 179.64 2dbd h GLN 82 N 0.00 0.47 0.18 1.13 4.20 -1.27 -1.36 115.11 118.46 2dbd h GLN 82 Ca 0.03 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 2dbd h GLN 82 Cb 0.14 0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2dbd h GLN 82 CO -0.00 0.96 -0.09 1.96 -0.67 0.00 0.00 178.83 180.99 2dbd h GLN 83 N 0.07 -0.23 0.00 1.46 4.20 -1.20 -3.24 115.11 116.16 2dbd h GLN 83 Ca -0.01 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2dbd h GLN 83 Cb 0.99 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.82 2dbd h GLN 83 CO 0.08 0.09 0.00 -0.07 -0.67 0.00 0.00 178.83 178.26 2dbd h LEU 84 N -0.98 0.00 -1.85 1.46 3.38 -0.60 -2.55 115.31 114.18 2dbd h LEU 84 Ca -0.02 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.14 2dbd h LEU 84 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2dbd h LEU 84 CO 0.04 0.00 0.64 0.00 0.09 0.00 0.00 178.44 179.21 2dbd h ALA 85 N 2.00 2.47 -0.42 1.53 0.00 -1.27 0.19 119.26 123.76 2dbd h ALA 85 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.01 2dbd h ALA 85 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2dbd h ALA 85 CO 0.00 -0.98 0.33 0.22 0.00 0.00 0.00 179.25 178.82 2dbd h ASP 86 N 0.00 0.00 0.22 0.00 1.82 -1.66 -1.54 116.42 115.26 2dbd h ASP 86 Ca 0.32 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 56.62 2dbd h ASP 86 Cb 1.58 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.54 2dbd h ASP 86 CO -0.00 0.00 -2.08 0.00 -1.61 0.00 0.00 179.24 175.55 2dbd n ALA 87 N -2.56 1.43 -1.62 -0.78 0.00 0.66 -4.95 120.51 112.69 2dbd n ALA 87 Ca 0.07 -1.01 -0.33 0.00 0.00 0.00 0.00 53.44 52.18 2dbd n ALA 87 Cb 0.52 -0.50 0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.54 2.87 -0.09 0.00 1.51 -0.58 -4.99 117.35 113.53 2dbd s TYR 88 Ca -0.11 1.52 0.07 0.00 -1.01 0.00 0.00 57.07 57.54 2dbd s TYR 88 Cb 0.07 -3.06 -0.10 0.00 -0.11 0.00 0.00 41.96 38.76 2dbd s TYR 88 CO 0.80 -1.30 0.02 1.33 -1.11 0.00 0.00 175.55 175.29 2dbd n VAL 89 N -2.15 0.59 0.01 0.71 0.24 -1.26 -4.68 118.33 111.80 2dbd n VAL 89 Ca 0.09 -0.35 -0.18 0.00 -2.04 0.00 0.00 64.34 61.86 2dbd n VAL 89 Cb 0.53 -0.78 -0.12 0.00 -1.47 0.00 0.00 33.84 31.99 2dbd n VAL 89 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 2dbd h ASP 90 N 0.00 0.50 -3.17 -1.34 3.32 -1.94 -3.44 116.42 110.35 2dbd h ASP 90 Ca -0.23 -0.81 -0.58 0.00 0.02 0.00 0.00 57.03 55.43 2dbd h ASP 90 Cb 1.52 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.85 2dbd h ASP 90 CO 0.01 1.26 0.65 -0.76 -1.72 0.00 0.00 179.24 178.68 2dbd s LEU 91 N -8.23 4.13 0.00 1.55 1.43 -1.26 -4.55 118.68 111.75 2dbd s LEU 91 Ca -0.13 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.29 2dbd s LEU 91 Cb 0.03 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.80 2dbd s LEU 91 CO 0.82 -0.57 0.00 0.54 0.23 0.00 0.00 176.35 177.37 2dbd n ARG 92 N 5.90 0.00 0.15 1.70 1.74 -1.26 -4.82 116.66 120.08 2dbd n ARG 92 Ca 0.09 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.19 2dbd n ARG 92 Cb 0.47 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.11 2dbd n ARG 92 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2dbd h PRO 93 N 0.00 0.00 0.78 5.56 0.13 -1.94 -3.07 132.00 133.47 2dbd h PRO 93 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2dbd h PRO 93 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2dbd h PRO 93 CO 0.00 0.52 -0.38 2.35 -0.23 0.00 0.00 178.00 180.27 2dbd h TRP 94 N 0.00 -0.98 -0.40 1.56 7.01 -1.93 0.10 115.95 121.31 2dbd h TRP 94 Ca -0.01 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.02 2dbd h TRP 94 Cb 1.11 0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 28.45 2dbd h TRP 94 CO 0.00 -0.59 0.14 -0.07 -2.79 0.00 0.00 178.44 175.13 2dbd h LEU 95 N -1.20 0.16 -1.76 0.65 3.38 -1.96 0.21 115.31 114.78 2dbd h LEU 95 Ca -0.11 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2dbd h LEU 95 Cb 0.82 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2dbd h LEU 95 CO 0.18 0.13 -0.14 -0.07 0.09 0.00 0.00 178.44 178.62 2dbd h LEU 96 N 0.31 0.00 0.01 1.67 3.38 -1.53 0.28 115.31 119.42 2dbd h LEU 96 Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 2dbd h LEU 96 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2dbd h LEU 96 CO -0.18 0.14 -0.11 -0.33 0.09 0.00 0.00 178.44 178.04 2dbd h GLU 97 N 0.00 0.06 0.00 1.13 5.08 0.54 -3.30 114.58 118.10 2dbd h GLU 97 Ca -0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 2dbd h GLU 97 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2dbd h GLU 97 CO 0.02 0.91 -0.31 -0.84 -1.00 0.00 0.00 179.01 177.79 2dbd h ILE 98 N -0.76 0.82 -4.56 3.13 3.07 -0.48 -3.48 117.51 115.26 2dbd h ILE 98 Ca -0.02 -1.28 0.00 0.00 1.55 0.00 0.00 64.86 65.11 2dbd h ILE 98 Cb 0.96 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 39.30 2dbd h ILE 98 CO 0.02 0.31 -0.24 0.61 -1.05 0.00 0.00 178.15 177.80 2dbd n GLY 99 N 0.00 -1.06 3.55 0.16 0.00 0.96 -4.84 105.19 103.96 2dbd n GLY 99 Ca -0.01 0.66 -0.37 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.35 1.36 0.00 1.61 5.36 -1.23 -4.28 117.98 118.45 2dbd s PHE 100 Ca 0.12 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 2dbd s PHE 100 Cb -0.03 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.82 2dbd s PHE 100 CO 0.52 -2.40 0.00 0.45 -1.46 0.00 0.00 175.22 172.33 2dbd n SER 101 N 14.45 0.00 -4.89 6.13 2.88 -1.26 -4.79 113.62 126.14 2dbd n SER 101 Ca 0.29 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.54 2dbd n SER 101 Cb 0.53 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2dbd n SER 101 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dbd s SER 102 N 0.00 6.45 0.00 -3.46 0.15 -1.26 -4.64 113.70 110.94 2dbd s SER 102 Ca 0.00 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.56 2dbd s SER 102 Cb 0.00 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2dbd s SER 102 CO 0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.71 2dbd n GLY 103 N -1.29 2.63 3.57 9.45 0.00 -1.26 -4.60 105.19 113.68 2dbd n GLY 103 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 2dbd n GLY 103 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dbd n PRO 104 N 0.00 -3.13 -1.20 1.61 -0.04 -1.26 -5.04 135.00 125.93 2dbd n PRO 104 Ca 0.00 -1.78 -0.30 0.00 -0.04 0.00 0.00 63.50 61.37 2dbd n PRO 104 Cb 0.00 -1.66 0.24 0.00 -0.04 0.00 0.00 33.50 32.04 2dbd n PRO 104 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dbd s SER 105 N -4.54 1.05 -0.30 3.54 1.04 -1.26 -5.09 113.70 108.15 2dbd s SER 105 Ca 0.72 0.51 -0.11 0.00 0.48 0.00 0.00 55.95 57.56 2dbd s SER 105 Cb -0.07 -0.68 0.16 0.00 0.10 0.00 0.00 66.02 65.54 2dbd s SER 105 CO 0.55 -4.03 0.85 -0.44 0.98 0.00 0.00 173.24 171.15 2dbd s SER 106 N -4.09 -0.84 0.00 7.02 0.01 -1.26 -5.14 113.70 109.40 2dbd s SER 106 Ca 0.72 0.91 0.00 0.00 1.31 0.00 0.00 55.95 58.89 2dbd s SER 106 Cb -0.08 1.86 0.00 0.00 0.21 0.00 0.00 66.02 68.01 2dbd s SER 106 CO 0.55 -0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.65