#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbd h SER 2 N 0.00 0.14 -2.47 1.61 4.64 -2.10 -3.39 113.55 111.98 2dbd h SER 2 Ca 0.00 -0.09 -0.55 0.00 -0.47 0.00 0.00 61.79 60.68 2dbd h SER 2 Cb 0.00 -0.04 -0.38 0.00 -0.31 0.00 0.00 62.40 61.67 2dbd h SER 2 CO 0.00 0.75 -0.84 -0.94 -0.87 0.00 0.00 176.83 174.93 2dbd s SER 3 N -6.87 2.56 -0.08 4.97 1.04 -1.26 -4.99 113.70 109.07 2dbd s SER 3 Ca -0.03 -2.20 -0.18 0.00 0.48 0.00 0.00 55.95 54.02 2dbd s SER 3 Cb 0.12 -0.27 -0.29 0.00 0.10 0.00 0.00 66.02 65.68 2dbd s SER 3 CO 0.79 -0.29 0.69 1.23 0.98 0.00 0.00 173.24 176.64 2dbd h GLY 4 N 6.86 0.30 -5.54 7.32 0.00 -2.12 -3.48 103.07 106.41 2dbd h GLY 4 Ca 0.08 -0.77 -0.35 0.00 0.00 0.00 0.00 47.33 46.28 2dbd h GLY 4 CO 0.26 0.68 -0.67 1.44 0.00 0.00 0.00 176.54 178.24 2dbd n SER 5 N -4.01 -4.66 -4.54 0.19 7.64 -1.26 -5.01 113.62 101.97 2dbd n SER 5 Ca -0.21 -0.54 -0.28 0.00 1.01 0.00 0.00 58.87 58.85 2dbd n SER 5 Cb 0.87 -4.83 -0.10 0.00 -1.01 0.00 0.00 64.21 59.14 2dbd n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dbd s SER 6 N -3.66 4.15 0.00 6.43 0.01 -1.26 -4.86 113.70 114.51 2dbd s SER 6 Ca 0.35 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2dbd s SER 6 Cb -0.16 -0.68 0.00 0.00 0.21 0.00 0.00 66.02 65.39 2dbd s SER 6 CO 0.69 0.15 0.00 0.61 0.41 0.00 0.00 173.24 175.10 2dbd n GLY 7 N 0.45 2.21 3.02 3.44 0.00 -1.26 -5.04 105.19 108.01 2dbd n GLY 7 Ca -0.13 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 3.59 0.49 1.61 4.02 -1.26 -4.93 115.29 118.81 2dbd s HIS 8 Ca 0.00 -3.07 0.26 0.00 1.02 0.00 0.00 55.06 53.27 2dbd s HIS 8 Cb 0.00 -3.02 1.33 0.00 -1.02 0.00 0.00 32.58 29.87 2dbd s HIS 8 CO 0.00 -0.70 1.87 -1.35 1.02 0.00 0.00 174.74 175.58 2dbd h PRO 9 N 6.12 0.15 0.06 8.40 0.11 -1.96 0.56 132.00 145.44 2dbd h PRO 9 Ca 0.08 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.08 2dbd h PRO 9 Cb 0.84 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2dbd h PRO 9 CO 0.76 0.10 -0.47 0.45 -0.21 0.00 0.00 178.00 178.63 2dbd h HIS 10 N 0.16 0.22 -0.24 0.65 3.86 -1.98 -3.25 115.15 114.58 2dbd h HIS 10 Ca 0.45 -0.16 -0.07 0.00 -1.16 0.00 0.00 60.37 59.43 2dbd h HIS 10 Cb 1.53 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.97 2dbd h HIS 10 CO -0.00 1.18 -0.16 0.82 0.86 0.00 0.00 177.93 180.63 2dbd h ILE 11 N -0.73 1.23 -0.14 2.45 2.04 -1.68 -2.46 117.51 118.21 2dbd h ILE 11 Ca -0.10 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.71 2dbd h ILE 11 Cb 1.30 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 2dbd h ILE 11 CO 0.04 0.33 -0.06 1.56 0.00 0.00 0.00 178.15 180.02 2dbd h GLN 12 N 0.37 0.20 -0.08 2.37 1.08 -0.03 -1.78 115.11 117.24 2dbd h GLN 12 Ca 0.07 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2dbd h GLN 12 Cb 0.51 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2dbd h GLN 12 CO 0.03 0.29 0.06 -0.07 -0.95 0.00 0.00 178.83 178.18 2dbd h LEU 13 N 0.20 0.05 0.15 1.46 3.38 -1.47 0.20 115.31 119.29 2dbd h LEU 13 Ca 0.05 -0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 2dbd h LEU 13 Cb 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2dbd h LEU 13 CO 0.01 0.04 -1.50 -0.07 0.09 0.00 0.00 178.44 177.01 2dbd h LEU 14 N 0.06 0.49 -0.02 1.67 3.38 -1.44 -2.65 115.31 116.81 2dbd h LEU 14 Ca 0.03 -0.89 -0.00 0.00 0.09 0.00 0.00 57.88 57.11 2dbd h LEU 14 Cb 0.06 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2dbd h LEU 14 CO -0.00 1.67 0.01 0.11 0.09 0.00 0.00 178.44 180.31 2dbd h LYS 15 N -0.14 0.03 -0.25 1.13 1.57 -1.03 0.20 116.57 118.07 2dbd h LYS 15 Ca -0.31 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 2dbd h LYS 15 Cb 1.89 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.18 2dbd h LYS 15 CO 0.12 0.22 -0.34 0.77 -0.57 0.00 0.00 179.45 179.65 2dbd h SER 16 N -0.17 0.56 -2.11 0.86 0.02 -0.79 -3.27 113.55 108.66 2dbd h SER 16 Ca 0.01 -0.23 -0.62 0.00 -0.84 0.00 0.00 61.79 60.11 2dbd h SER 16 Cb 0.21 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 62.19 2dbd h SER 16 CO -0.00 0.86 -0.46 0.59 -1.14 0.00 0.00 176.83 176.69 2dbd n ASN 17 N -4.06 4.90 0.01 3.07 3.02 -1.00 -4.78 115.26 116.41 2dbd n ASN 17 Ca -0.01 -3.70 -0.22 0.00 -0.03 0.00 0.00 54.58 50.62 2dbd n ASN 17 Cb 0.47 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.90 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 3.01 0.25 -0.01 3.52 2.43 -0.65 -3.15 114.38 119.78 2dbd h ARG 18 Ca 0.22 -0.43 -0.16 0.00 -0.81 0.00 0.00 59.98 58.79 2dbd h ARG 18 Cb 0.56 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2dbd h ARG 18 CO 0.88 1.21 -0.73 0.93 -1.51 0.00 0.00 179.97 180.74 2dbd h GLU 19 N -0.24 0.09 -0.38 0.20 4.39 -1.86 -3.07 114.58 113.71 2dbd h GLU 19 Ca -0.32 -0.08 -0.16 0.00 0.34 0.00 0.00 59.36 59.13 2dbd h GLU 19 Cb 1.81 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.47 2dbd h GLU 19 CO 0.07 0.78 -0.40 1.25 -1.16 0.00 0.00 179.01 179.55 2dbd h LEU 20 N 0.06 1.00 -1.34 1.33 5.85 -1.91 -3.02 115.31 117.28 2dbd h LEU 20 Ca -0.02 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2dbd h LEU 20 Cb 1.30 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 2dbd h LEU 20 CO 0.10 1.27 -0.08 -0.07 -0.34 0.00 0.00 178.44 179.33 2dbd h LEU 21 N 0.75 0.32 -1.47 2.25 3.38 -1.55 -1.69 115.31 117.31 2dbd h LEU 21 Ca 0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2dbd h LEU 21 Cb 1.00 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 2dbd h LEU 21 CO 0.10 0.44 -0.19 0.58 0.09 0.00 0.00 178.44 179.46 2dbd h VAL 22 N 0.33 1.17 0.03 1.22 2.07 -1.43 0.19 116.25 119.82 2dbd h VAL 22 Ca 0.07 -0.80 -0.26 0.00 0.82 0.00 0.00 66.70 66.53 2dbd h VAL 22 Cb 0.35 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 2dbd h VAL 22 CO 0.02 0.24 -1.35 0.74 0.02 0.00 0.00 177.57 177.23 2dbd h THR 23 N 0.10 1.30 0.01 2.57 2.02 -1.37 -3.36 112.91 114.19 2dbd h THR 23 Ca 0.02 -3.04 -0.12 0.00 0.77 0.00 0.00 66.41 64.03 2dbd h THR 23 Cb 0.40 2.69 0.01 0.00 -1.74 0.00 0.00 68.15 69.51 2dbd h THR 23 CO 0.03 0.78 -0.48 0.45 0.37 0.00 0.00 175.52 176.66 2dbd h HIS 24 N 0.02 0.47 -3.58 3.16 -0.00 -0.97 -3.45 115.15 110.80 2dbd h HIS 24 Ca -0.15 -0.26 -0.51 0.00 -0.00 0.00 0.00 60.37 59.44 2dbd h HIS 24 Cb 1.91 -0.05 0.01 0.00 -0.00 0.00 0.00 27.41 29.27 2dbd h HIS 24 CO 0.02 1.09 0.48 0.42 -0.00 0.00 0.00 177.93 179.93 2dbd s ILE 25 N -3.08 3.83 -0.08 2.45 1.01 0.62 -4.02 121.20 121.93 2dbd s ILE 25 Ca -0.14 1.60 0.01 0.00 0.00 0.00 0.00 60.65 62.11 2dbd s ILE 25 Cb 0.02 -4.02 -0.05 0.00 0.01 0.00 0.00 42.46 38.42 2dbd s ILE 25 CO 0.79 0.28 -0.07 0.54 0.00 0.00 0.00 174.94 176.49 2dbd n ARG 26 N 2.28 0.25 -4.65 2.79 1.74 -1.26 -4.83 116.66 112.98 2dbd n ARG 26 Ca 0.02 0.04 -0.33 0.00 -0.77 0.00 0.00 57.85 56.81 2dbd n ARG 26 Cb 0.46 -1.15 -0.13 0.00 -1.02 0.00 0.00 32.46 30.62 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 -4.73 4.41 -0.11 0.55 -0.87 -1.26 -4.99 114.94 107.93 2dbd s ASN 27 Ca -0.10 -0.17 0.12 0.00 -1.57 0.00 0.00 52.86 51.14 2dbd s ASN 27 Cb 0.03 -1.42 -0.17 0.00 -0.02 0.00 0.00 41.25 39.66 2dbd s ASN 27 CO 0.18 0.25 0.09 0.35 -2.57 0.00 0.00 177.10 175.40 2dbd n THR 28 N 2.98 0.77 0.08 1.60 -2.24 -1.26 -4.47 114.28 111.75 2dbd n THR 28 Ca -0.18 -0.53 0.13 0.00 -2.27 0.00 0.00 64.05 61.21 2dbd n THR 28 Cb 0.53 -0.52 0.62 0.00 -2.10 0.00 0.00 70.33 68.86 2dbd n THR 28 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2dbd h GLN 29 N 0.00 0.10 0.04 -0.78 1.08 -1.99 -1.74 115.11 111.82 2dbd h GLN 29 Ca -0.31 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 56.89 2dbd h GLN 29 Cb 1.64 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 29.05 2dbd h GLN 29 CO 0.02 0.07 -0.02 0.00 -0.95 0.00 0.00 178.83 177.94 2dbd h LEU 31 N -0.30 0.54 -0.79 0.00 3.38 -1.64 -2.07 115.31 114.43 2dbd h LEU 31 Ca -0.01 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2dbd h LEU 31 Cb 0.28 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2dbd h LEU 31 CO 0.01 0.48 0.39 0.58 0.09 0.00 0.00 178.44 179.99 2dbd h VAL 32 N 0.56 1.25 -0.06 1.22 2.07 -1.31 0.12 116.25 120.09 2dbd h VAL 32 Ca 0.15 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2dbd h VAL 32 Cb 0.07 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.07 2dbd h VAL 32 CO -0.02 0.29 0.04 0.44 0.02 0.00 0.00 177.57 178.34 2dbd h ASP 33 N 1.12 0.07 -0.51 0.57 3.32 -0.74 0.17 116.42 120.42 2dbd h ASP 33 Ca 0.27 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.19 2dbd h ASP 33 Cb 0.10 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2dbd h ASP 33 CO -0.04 0.06 -0.18 0.78 -1.72 0.00 0.00 179.24 178.14 2dbd h ASN 34 N 0.08 1.04 0.18 6.45 2.35 -1.20 -1.64 115.58 122.83 2dbd h ASN 34 Ca 0.02 -0.38 -0.07 0.00 -0.55 0.00 0.00 56.30 55.33 2dbd h ASN 34 Cb -0.00 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 2dbd h ASN 34 CO -0.01 1.18 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.64 2dbd h LEU 35 N 0.88 0.13 -0.01 1.61 3.38 -0.54 -2.13 115.31 118.63 2dbd h LEU 35 Ca 0.12 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.79 2dbd h LEU 35 Cb 0.76 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.49 2dbd h LEU 35 CO 0.06 0.39 -1.09 -0.07 0.09 0.00 0.00 178.44 177.83 2dbd h LEU 36 N 0.13 0.75 -0.99 1.67 3.38 -0.45 0.54 115.31 120.33 2dbd h LEU 36 Ca 0.02 -0.64 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 2dbd h LEU 36 Cb 0.52 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2dbd h LEU 36 CO 0.04 1.45 -0.07 0.50 0.09 0.00 0.00 178.44 180.44 2dbd h LYS 37 N 0.29 0.64 -0.00 1.13 3.64 -1.06 -1.95 116.57 119.26 2dbd h LYS 37 Ca -0.13 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2dbd h LYS 37 Cb 1.75 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.50 2dbd h LYS 37 CO 0.20 0.71 0.00 0.09 -2.27 0.00 0.00 179.45 178.19 2dbd n ASN 38 N -4.20 0.38 -2.97 4.20 3.02 -0.82 -4.92 115.26 109.95 2dbd n ASN 38 Ca 0.01 -1.13 -0.13 0.00 -0.03 0.00 0.00 54.58 53.30 2dbd n ASN 38 Cb 0.32 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.70 -3.09 -0.02 6.41 -0.08 -0.73 -4.96 116.55 113.38 2dbd n ASP 39 Ca 0.23 -0.53 -0.03 0.00 -1.51 0.00 0.00 54.79 52.95 2dbd n ASP 39 Cb 0.17 -4.29 -0.02 0.00 2.34 0.00 0.00 41.12 39.32 2dbd n ASP 39 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2dbd n TYR 40 N -3.37 0.00 -3.61 -0.67 4.01 0.15 -5.01 117.16 108.66 2dbd n TYR 40 Ca -0.19 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.20 2dbd n TYR 40 Cb 0.63 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 39.44 2dbd n TYR 40 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2dbd s PHE 41 N -2.07 3.44 0.64 -0.72 0.40 -1.03 -5.01 117.98 113.62 2dbd s PHE 41 Ca -0.05 0.49 -0.07 0.00 -0.60 0.00 0.00 56.93 56.70 2dbd s PHE 41 Cb 0.01 -2.27 0.03 0.00 0.51 0.00 0.00 43.02 41.30 2dbd s PHE 41 CO 0.08 0.26 0.96 -1.12 0.70 0.00 0.00 175.22 176.11 2dbd s SER 42 N 0.42 5.33 0.48 1.36 0.01 -1.26 -4.65 113.70 115.38 2dbd s SER 42 Ca 0.13 0.70 0.13 0.00 1.31 0.00 0.00 55.95 58.21 2dbd s SER 42 Cb -0.12 -1.55 1.11 0.00 0.21 0.00 0.00 66.02 65.67 2dbd s SER 42 CO 0.02 -1.27 2.11 0.00 0.41 0.00 0.00 173.24 174.51 2dbd h ALA 43 N -0.38 1.89 -0.35 1.44 0.00 -2.00 -2.05 119.26 117.82 2dbd h ALA 43 Ca -0.45 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 2dbd h ALA 43 Cb 1.27 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2dbd h ALA 43 CO 0.61 0.10 -0.25 0.93 0.00 0.00 0.00 179.25 180.63 2dbd h GLU 44 N 0.22 0.78 0.08 0.00 5.08 -1.99 -2.04 114.58 116.71 2dbd h GLU 44 Ca 0.06 -0.38 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2dbd h GLU 44 Cb -0.01 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 2dbd h GLU 44 CO -0.01 1.01 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.51 2dbd h ASP 45 N 0.56 -0.15 0.18 1.42 5.19 -1.76 -1.67 116.42 120.20 2dbd h ASP 45 Ca 0.07 0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2dbd h ASP 45 Cb 0.82 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 2dbd h ASP 45 CO 0.07 -0.09 -0.18 0.00 -3.12 0.00 0.00 179.24 175.91 2dbd h ALA 46 N 0.78 1.70 -0.52 3.45 0.00 -1.50 -2.41 119.26 120.75 2dbd h ALA 46 Ca -0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2dbd h ALA 46 Cb 0.13 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2dbd h ALA 46 CO -0.00 0.23 -0.16 1.49 0.00 0.00 0.00 179.25 180.81 2dbd h GLU 47 N 0.00 1.02 -0.35 0.00 4.81 -0.80 -2.73 114.58 116.54 2dbd h GLU 47 Ca -0.00 -0.40 -0.14 0.00 -0.13 0.00 0.00 59.36 58.68 2dbd h GLU 47 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2dbd h GLU 47 CO 0.02 1.09 -0.35 0.82 -0.73 0.00 0.00 179.01 179.86 2dbd h ILE 48 N 0.89 1.28 0.46 2.32 2.04 -0.87 -2.63 117.51 121.00 2dbd h ILE 48 Ca 0.13 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.46 2dbd h ILE 48 Cb 0.73 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2dbd h ILE 48 CO 0.06 0.50 -0.25 0.58 0.00 0.00 0.00 178.15 179.04 2dbd h VAL 49 N 0.66 0.49 -0.02 1.67 2.07 -1.35 -2.36 116.25 117.41 2dbd h VAL 49 Ca 0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 2dbd h VAL 49 Cb 0.90 0.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 2dbd h VAL 49 CO 0.08 0.00 0.01 0.00 0.02 0.00 0.00 177.57 177.69 2dbd h ALA 51 N 1.99 1.59 -2.86 0.00 0.00 -1.03 -3.43 119.26 115.52 2dbd h ALA 51 Ca 0.01 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.35 2dbd h ALA 51 Cb 0.04 0.01 0.16 0.00 0.00 0.00 0.00 17.79 18.00 2dbd h ALA 51 CO -0.00 -0.24 0.15 0.00 0.00 0.00 0.00 179.25 179.16 2dbd h PRO 53 N 0.42 0.43 0.00 0.00 0.13 -1.89 -3.48 132.00 127.61 2dbd h PRO 53 Ca -0.49 -0.49 -0.43 0.00 -0.87 0.00 0.00 66.00 63.72 2dbd h PRO 53 Cb 1.36 0.15 -0.10 0.00 0.13 0.00 0.00 31.00 32.55 2dbd h PRO 53 CO 0.51 1.16 -0.36 0.25 -0.23 0.00 0.00 178.00 179.32 2dbd n THR 54 N -3.73 0.00 0.04 1.56 -2.24 -1.26 -5.07 114.28 103.58 2dbd n THR 54 Ca -0.08 -1.83 -0.12 0.00 -2.27 0.00 0.00 64.05 59.76 2dbd n THR 54 Cb 0.87 0.66 -0.08 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.17 -1.12 -0.78 5.75 -1.97 -3.09 115.11 113.72 2dbd h GLN 55 Ca -0.24 0.01 0.32 0.00 -0.15 0.00 0.00 58.65 58.59 2dbd h GLN 55 Cb 0.93 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.48 2dbd h GLN 55 CO 0.39 0.29 0.81 -1.35 -2.65 0.00 0.00 178.83 176.31 2dbd h PRO 56 N -0.77 0.00 0.01 -2.39 0.11 -1.95 0.56 132.00 127.57 2dbd h PRO 56 Ca -0.02 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.90 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 -0.90 -0.44 -0.21 0.00 0.00 178.00 176.48 2dbd h ASP 57 N 0.00 0.16 -0.12 -2.05 5.19 -1.97 -3.15 116.42 114.48 2dbd h ASP 57 Ca 0.53 -0.14 -0.04 0.00 -0.62 0.00 0.00 57.03 56.77 2dbd h ASP 57 Cb 2.15 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 41.60 2dbd h ASP 57 CO -0.01 0.97 -0.07 0.11 -3.12 0.00 0.00 179.24 177.13 2dbd h LYS 58 N 0.06 0.26 -0.11 3.56 1.57 0.18 -1.92 116.57 120.17 2dbd h LYS 58 Ca -0.04 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2dbd h LYS 58 Cb 1.55 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.85 2dbd h LYS 58 CO 0.13 0.61 0.08 0.28 -0.57 0.00 0.00 179.45 179.98 2dbd h VAL 59 N -0.10 0.93 0.01 0.50 2.07 -1.49 -0.83 116.25 117.35 2dbd h VAL 59 Ca 0.03 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.33 2dbd h VAL 59 Cb 0.54 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2dbd h VAL 59 CO 0.02 0.00 -1.01 -0.09 0.02 0.00 0.00 177.57 176.51 2dbd h ARG 60 N 0.00 0.03 -0.16 1.57 2.43 -1.48 -3.15 114.38 113.62 2dbd h ARG 60 Ca 0.05 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.00 2dbd h ARG 60 Cb 0.20 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2dbd h ARG 60 CO -0.00 1.01 -0.58 -0.22 -1.51 0.00 0.00 179.97 178.67 2dbd h LYS 61 N 0.01 0.52 -0.44 0.20 1.63 -0.37 -2.94 116.57 115.18 2dbd h LYS 61 Ca -0.02 -0.34 -0.12 0.00 -0.85 0.00 0.00 60.65 59.32 2dbd h LYS 61 Cb 1.76 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.42 2dbd h LYS 61 CO 0.14 0.95 -0.19 0.82 -3.45 0.00 0.00 179.45 177.71 2dbd h ILE 62 N 0.39 1.27 -0.45 2.00 2.04 -1.39 -2.38 117.51 118.99 2dbd h ILE 62 Ca 0.00 -1.33 -0.02 0.00 1.00 0.00 0.00 64.86 64.51 2dbd h ILE 62 Cb 1.12 1.13 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 2dbd h ILE 62 CO 0.11 0.45 0.20 -0.07 0.00 0.00 0.00 178.15 178.83 2dbd h LEU 63 N 0.77 0.61 -1.18 1.44 3.38 -1.50 -1.10 115.31 117.73 2dbd h LEU 63 Ca 0.11 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2dbd h LEU 63 Cb 0.73 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2dbd h LEU 63 CO 0.06 0.60 -0.02 -0.78 0.09 0.00 0.00 178.44 178.38 2dbd h ASP 64 N 0.59 0.51 0.04 -0.43 1.82 -1.43 -0.94 116.42 116.58 2dbd h ASP 64 Ca 0.15 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.69 2dbd h ASP 64 Cb 0.16 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.04 2dbd h ASP 64 CO -0.02 0.60 -0.02 -0.07 -1.61 0.00 0.00 179.24 178.12 2dbd h LEU 65 N 0.52 -0.04 -0.75 2.28 3.38 -1.05 -2.48 115.31 117.16 2dbd h LEU 65 Ca 0.11 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2dbd h LEU 65 Cb 0.37 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2dbd h LEU 65 CO 0.01 0.39 0.43 0.58 0.09 0.00 0.00 178.44 179.95 2dbd h VAL 66 N -0.48 1.22 -0.14 1.22 2.07 -1.10 -1.75 116.25 117.29 2dbd h VAL 66 Ca -0.00 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2dbd h VAL 66 Cb 0.44 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2dbd h VAL 66 CO 0.01 0.24 0.01 1.56 0.02 0.00 0.00 177.57 179.41 2dbd h GLN 67 N 1.03 0.19 0.01 1.57 4.20 -1.18 -1.79 115.11 119.14 2dbd h GLN 67 Ca 0.27 -0.02 -0.19 0.00 0.06 0.00 0.00 58.65 58.76 2dbd h GLN 67 Cb 0.00 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2dbd h GLN 67 CO -0.05 0.20 -0.88 0.77 -0.67 0.00 0.00 178.83 178.20 2dbd h SER 68 N 0.19 0.13 0.00 1.46 0.02 -0.88 -3.37 113.55 111.09 2dbd h SER 68 Ca 0.05 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2dbd h SER 68 Cb 0.11 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2dbd h SER 68 CO 0.00 0.94 0.00 0.29 -1.14 0.00 0.00 176.83 176.92 2dbd n LYS 69 N -3.58 0.00 -3.87 3.45 5.02 -0.70 -5.07 118.16 113.41 2dbd n LYS 69 Ca -0.02 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 2dbd n LYS 69 Cb 0.82 -1.10 0.00 0.00 -0.02 0.00 0.00 35.03 34.73 2dbd n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dbd n GLY 70 N 0.12 -1.18 0.14 0.72 0.00 -1.05 -4.96 105.19 98.97 2dbd n GLY 70 Ca 0.00 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.29 1.61 4.39 -1.93 -0.95 114.58 117.41 2dbd h GLU 71 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 2dbd h GLU 71 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2dbd h GLU 71 CO 0.00 0.62 0.20 1.49 -1.16 0.00 0.00 179.01 180.16 2dbd h GLU 72 N 0.00 0.08 0.00 2.33 4.81 -1.96 -1.19 114.58 118.65 2dbd h GLU 72 Ca -0.01 -0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 2dbd h GLU 72 Cb 1.13 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.43 2dbd h GLU 72 CO 0.08 0.05 -2.26 0.28 -0.73 0.00 0.00 179.01 176.43 2dbd n VAL 73 N -4.47 1.26 -0.13 0.32 0.31 -1.16 -4.11 118.33 110.36 2dbd n VAL 73 Ca 0.04 -0.76 -0.08 0.00 -0.01 0.00 0.00 64.34 63.52 2dbd n VAL 73 Cb 0.31 -0.56 -0.00 0.00 -0.91 0.00 0.00 33.84 32.68 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 0.49 -0.55 4.52 0.87 -0.79 0.14 113.55 118.22 2dbd h SER 74 Ca -0.50 -0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 59.93 2dbd h SER 74 Cb 2.11 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.93 2dbd h SER 74 CO 0.02 0.41 0.10 -0.08 -0.53 0.00 0.00 176.83 176.76 2dbd h GLU 75 N 0.52 0.89 -0.43 2.24 4.81 -1.45 -1.47 114.58 119.69 2dbd h GLU 75 Ca 0.14 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 2dbd h GLU 75 Cb 0.02 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2dbd h GLU 75 CO -0.03 0.86 0.05 0.35 -0.73 0.00 0.00 179.01 179.51 2dbd h PHE 76 N 0.78 0.78 -0.08 0.92 3.57 -1.65 0.22 116.94 121.48 2dbd h PHE 76 Ca 0.17 -0.12 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 2dbd h PHE 76 Cb 0.38 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 2dbd h PHE 76 CO 0.03 0.76 -0.20 0.35 -2.23 0.00 0.00 178.31 177.02 2dbd h PHE 77 N 0.58 0.14 0.02 0.41 3.57 -0.61 -2.15 116.94 118.90 2dbd h PHE 77 Ca 0.13 -0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.36 2dbd h PHE 77 Cb 0.41 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2dbd h PHE 77 CO 0.03 0.33 -1.28 -0.07 -2.23 0.00 0.00 178.31 175.09 2dbd h LEU 78 N 0.12 0.06 -0.48 0.59 3.38 -0.97 -3.31 115.31 114.71 2dbd h LEU 78 Ca 0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2dbd h LEU 78 Cb 0.43 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2dbd h LEU 78 CO 0.03 1.07 -0.02 0.22 0.09 0.00 0.00 178.44 179.82 2dbd h TYR 79 N 0.01 0.95 -0.03 1.13 5.03 -0.19 -2.76 116.97 121.10 2dbd h TYR 79 Ca -0.12 -0.17 -0.02 0.00 2.58 0.00 0.00 58.73 61.00 2dbd h TYR 79 Cb 1.88 -0.24 -0.00 0.00 1.55 0.00 0.00 36.73 39.91 2dbd h TYR 79 CO 0.01 0.91 -0.05 -0.07 -1.32 0.00 0.00 178.16 177.63 2dbd h LEU 80 N 0.72 0.04 -1.97 2.82 3.38 -1.52 -1.59 115.31 117.18 2dbd h LEU 80 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dbd h LEU 80 Cb 0.54 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 2dbd h LEU 80 CO 0.03 0.10 0.03 -0.07 0.09 0.00 0.00 178.44 178.61 2dbd h LEU 81 N 0.04 0.03 0.06 1.67 3.38 -1.57 0.78 115.31 119.70 2dbd h LEU 81 Ca 0.01 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2dbd h LEU 81 Cb 0.12 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2dbd h LEU 81 CO 0.01 0.02 -0.45 1.56 0.09 0.00 0.00 178.44 179.67 2dbd h GLN 82 N 0.04 0.12 -0.43 1.13 4.20 -1.36 -2.32 115.11 116.48 2dbd h GLN 82 Ca 0.02 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.38 2dbd h GLN 82 Cb 0.02 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2dbd h GLN 82 CO -0.00 1.10 -0.29 1.96 -0.67 0.00 0.00 178.83 180.93 2dbd h GLN 83 N -0.74 0.95 0.00 1.46 4.20 -1.29 -2.95 115.11 116.74 2dbd h GLN 83 Ca -0.09 -0.45 -0.06 0.00 0.06 0.00 0.00 58.65 58.12 2dbd h GLN 83 Cb 1.29 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 29.05 2dbd h GLN 83 CO 0.04 1.11 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.98 2dbd h LEU 84 N 0.78 0.00 -1.96 1.46 3.38 0.44 -3.14 115.31 116.27 2dbd h LEU 84 Ca 0.09 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.25 2dbd h LEU 84 Cb 0.87 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2dbd h LEU 84 CO 0.08 0.26 0.55 0.00 0.09 0.00 0.00 178.44 179.42 2dbd h ALA 85 N 1.74 2.51 -0.13 1.53 0.00 -1.22 0.24 119.26 123.92 2dbd h ALA 85 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2dbd h ALA 85 Cb 0.89 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2dbd h ALA 85 CO 0.03 -0.89 0.09 -0.44 0.00 0.00 0.00 179.25 178.05 2dbd h ASP 86 N 0.00 0.08 -0.68 0.00 5.19 -1.69 -1.28 116.42 118.05 2dbd h ASP 86 Ca 0.31 -0.00 -0.38 0.00 -0.62 0.00 0.00 57.03 56.34 2dbd h ASP 86 Cb 1.41 -0.02 -0.22 0.00 0.18 0.00 0.00 39.33 40.68 2dbd h ASP 86 CO -0.00 0.06 0.25 0.00 -3.12 0.00 0.00 179.24 176.42 2dbd n ALA 87 N -2.54 5.05 -2.54 3.45 0.00 0.83 -4.98 120.51 119.78 2dbd n ALA 87 Ca -0.00 -3.12 -0.26 0.00 0.00 0.00 0.00 53.44 50.06 2dbd n ALA 87 Cb 0.15 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.35 1.90 -0.07 0.00 2.02 -0.48 -5.07 117.35 112.29 2dbd s TYR 88 Ca 0.52 -1.09 0.24 0.00 -0.37 0.00 0.00 57.07 56.37 2dbd s TYR 88 Cb 0.45 -1.30 0.45 0.00 -0.40 0.00 0.00 41.96 41.15 2dbd s TYR 88 CO 0.04 -0.07 1.16 1.33 -1.57 0.00 0.00 175.55 176.44 2dbd n VAL 89 N -0.89 0.41 0.01 0.71 0.24 -1.26 -4.89 118.33 112.65 2dbd n VAL 89 Ca -0.07 -1.57 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 2dbd n VAL 89 Cb 0.66 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 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 0.17 -0.21 -4.59 -1.34 9.92 -1.26 -5.07 116.55 114.17 2dbd n ASP 90 Ca 0.07 0.05 -0.42 0.00 -0.53 0.00 0.00 54.79 53.96 2dbd n ASP 90 Cb 1.05 0.52 -0.03 0.00 -0.64 0.00 0.00 41.12 42.02 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 -5.13 3.48 0.00 0.64 1.43 -1.26 -4.13 118.68 113.72 2dbd s LEU 91 Ca 0.00 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.28 2dbd s LEU 91 Cb 0.00 -3.37 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2dbd s LEU 91 CO 0.00 -1.81 0.00 -1.14 0.23 0.00 0.00 176.35 173.63 2dbd n ARG 92 N 8.52 0.00 0.12 1.70 0.63 -1.26 -4.76 116.66 121.61 2dbd n ARG 92 Ca 0.23 0.00 0.05 0.00 -0.92 0.00 0.00 57.85 57.21 2dbd n ARG 92 Cb 0.48 0.00 0.48 0.00 0.45 0.00 0.00 32.46 33.87 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 0.28 -0.19 -0.14 0.11 -2.01 -2.51 132.00 127.54 2dbd h PRO 93 Ca 0.00 -0.03 -0.19 0.00 0.11 0.00 0.00 66.00 65.89 2dbd h PRO 93 Cb 0.00 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.06 2dbd h PRO 93 CO 0.00 0.25 -0.62 2.35 -0.21 0.00 0.00 178.00 179.77 2dbd h TRP 94 N 0.29 1.00 -0.20 0.65 7.01 -1.93 -2.89 115.95 119.88 2dbd h TRP 94 Ca 0.07 -0.41 0.02 0.00 2.11 0.00 0.00 58.89 60.69 2dbd h TRP 94 Cb 0.08 -0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 26.95 2dbd h TRP 94 CO 0.00 1.22 0.07 -0.07 -2.79 0.00 0.00 178.44 176.87 2dbd h LEU 95 N 0.49 0.07 -1.72 0.65 3.38 -1.84 -0.70 115.31 115.64 2dbd h LEU 95 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2dbd h LEU 95 Cb 1.25 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 2dbd h LEU 95 CO 0.13 0.07 -0.04 -0.07 0.09 0.00 0.00 178.44 178.62 2dbd h LEU 96 N 0.16 0.10 -0.07 1.67 3.38 -1.54 0.78 115.31 119.79 2dbd h LEU 96 Ca 0.09 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 2dbd h LEU 96 Cb 0.06 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dbd h LEU 96 CO -0.09 0.17 -0.10 -0.33 0.09 0.00 0.00 178.44 178.18 2dbd h GLU 97 N 0.12 0.19 0.02 1.13 5.08 -1.11 -3.27 114.58 116.73 2dbd h GLU 97 Ca 0.03 -0.11 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 2dbd h GLU 97 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2dbd h GLU 97 CO 0.01 0.67 -0.95 -0.84 -1.00 0.00 0.00 179.01 176.90 2dbd h ILE 98 N -0.27 1.48 -3.97 3.13 3.07 -0.85 -3.49 117.51 116.61 2dbd h ILE 98 Ca 0.01 -2.66 0.00 0.00 1.55 0.00 0.00 64.86 63.76 2dbd h ILE 98 Cb 0.65 2.53 0.00 0.00 -0.27 0.00 0.00 36.82 39.73 2dbd h ILE 98 CO 0.02 0.78 -0.07 0.61 -1.05 0.00 0.00 178.15 178.44 2dbd n GLY 99 N 1.00 -0.78 3.68 0.16 0.00 0.27 -4.99 105.19 104.53 2dbd n GLY 99 Ca -0.05 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.55 3.47 0.35 1.61 2.19 -1.24 -5.03 117.98 116.79 2dbd s PHE 100 Ca 0.03 1.34 0.02 0.00 0.33 0.00 0.00 56.93 58.66 2dbd s PHE 100 Cb -0.01 -3.03 -0.01 0.00 -1.31 0.00 0.00 43.02 38.67 2dbd s PHE 100 CO 0.31 -0.19 0.42 -1.12 1.83 0.00 0.00 175.22 176.48 2dbd s SER 101 N 1.09 1.33 -0.07 6.13 0.01 -1.26 -5.08 113.70 115.85 2dbd s SER 101 Ca 0.41 -1.64 0.10 0.00 1.31 0.00 0.00 55.95 56.13 2dbd s SER 101 Cb -0.17 0.65 0.21 0.00 0.21 0.00 0.00 66.02 66.91 2dbd s SER 101 CO 0.15 -1.25 1.13 -1.20 0.41 0.00 0.00 173.24 172.48 2dbd n SER 102 N -1.61 -0.38 -4.08 2.44 7.64 -1.26 -5.10 113.62 111.27 2dbd n SER 102 Ca 0.04 -2.03 -0.28 0.00 1.01 0.00 0.00 58.87 57.60 2dbd n SER 102 Cb 0.62 0.15 -0.17 0.00 -1.01 0.00 0.00 64.21 63.80 2dbd n SER 102 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dbd s GLY 103 N -1.47 1.05 -0.68 0.23 0.00 -1.26 -5.07 107.32 100.12 2dbd s GLY 103 Ca 0.12 -0.72 -0.26 0.00 0.00 0.00 0.00 44.72 43.85 2dbd s GLY 103 CO -0.07 0.13 2.48 -1.05 0.00 0.00 0.00 173.10 174.59 2dbd n PRO 104 N 4.04 0.66 -3.81 2.90 -0.02 -1.26 -4.89 135.00 132.62 2dbd n PRO 104 Ca -0.20 -0.11 -0.12 0.00 -2.02 0.00 0.00 63.50 61.05 2dbd n PRO 104 Cb 0.52 -2.86 -0.11 0.00 -0.02 0.00 0.00 33.50 31.02 2dbd n PRO 104 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2dbd s SER 105 N 10.64 -0.17 -0.16 2.55 0.15 -1.26 -5.15 113.70 120.30 2dbd s SER 105 Ca 1.09 0.28 -0.05 0.00 0.70 0.00 0.00 55.95 57.98 2dbd s SER 105 Cb -0.48 0.38 0.08 0.00 -1.71 0.00 0.00 66.02 64.29 2dbd s SER 105 CO 0.31 -0.14 0.29 -0.94 1.20 0.00 0.00 173.24 173.96 2dbd s SER 106 N -0.23 0.37 0.00 5.45 1.04 -1.26 -5.19 113.70 113.88 2dbd s SER 106 Ca -0.03 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2dbd s SER 106 Cb -0.03 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.89 2dbd s SER 106 CO 0.01 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.58