#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dbd n SER 2 N 0.00 -2.60 -0.01 1.61 2.88 -1.26 -4.91 113.62 109.33 2dbd n SER 2 Ca 0.00 0.63 -0.10 0.00 -1.33 0.00 0.00 58.87 58.07 2dbd n SER 2 Cb 0.00 2.55 -0.14 0.00 -0.75 0.00 0.00 64.21 65.87 2dbd n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dbd h SER 3 N 0.00 0.06 0.00 -3.46 0.87 -2.06 -3.44 113.55 105.52 2dbd h SER 3 Ca 0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 2dbd h SER 3 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 2dbd h SER 3 CO 0.00 1.10 0.00 0.61 -0.53 0.00 0.00 176.83 178.01 2dbd n GLY 4 N 1.59 -0.48 0.14 5.77 0.00 -1.26 -5.00 105.19 105.94 2dbd n GLY 4 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 2dbd n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dbd n SER 5 N 0.00 0.07 -4.11 1.61 7.64 -1.26 -5.13 113.62 112.44 2dbd n SER 5 Ca 0.00 -1.05 -0.25 0.00 1.01 0.00 0.00 58.87 58.58 2dbd n SER 5 Cb 0.00 -0.02 -0.16 0.00 -1.01 0.00 0.00 64.21 63.02 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 -1.13 1.99 0.00 6.43 0.01 -1.26 -4.21 113.70 115.53 2dbd s SER 6 Ca 0.02 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2dbd s SER 6 Cb -0.00 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.66 2dbd s SER 6 CO 0.01 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2dbd n GLY 7 N 3.20 -1.37 3.53 3.44 0.00 -1.26 -5.14 105.19 107.59 2dbd n GLY 7 Ca -0.18 0.98 -0.34 0.00 0.00 0.00 0.00 46.02 46.48 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 2.90 -0.81 1.61 4.02 -1.26 -5.01 115.29 116.74 2dbd s HIS 8 Ca 0.00 -0.12 0.27 0.00 1.02 0.00 0.00 55.06 56.23 2dbd s HIS 8 Cb 0.00 -1.75 0.90 0.00 -1.02 0.00 0.00 32.58 30.71 2dbd s HIS 8 CO 0.00 0.20 1.79 -0.35 1.02 0.00 0.00 174.74 177.40 2dbd n PRO 9 N 2.56 0.18 -0.06 8.40 -0.04 -1.26 -2.69 135.00 142.09 2dbd n PRO 9 Ca -0.18 0.14 -0.12 0.00 -0.04 0.00 0.00 63.50 63.31 2dbd n PRO 9 Cb 0.53 -1.71 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 2dbd n PRO 9 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dbd n HIS 10 N -2.02 0.00 -0.07 0.54 8.25 -1.26 -4.42 115.22 116.24 2dbd n HIS 10 Ca 0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.40 2dbd n HIS 10 Cb 0.40 -0.48 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 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 -0.25 1.30 -0.10 1.59 2.04 -1.93 -2.97 117.51 117.19 2dbd h ILE 11 Ca -0.31 -1.13 0.03 0.00 1.00 0.00 0.00 64.86 64.45 2dbd h ILE 11 Cb 1.36 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2dbd h ILE 11 CO -0.13 0.34 0.07 -0.61 0.00 0.00 0.00 178.15 177.82 2dbd h GLN 12 N 0.12 0.00 -0.14 2.37 -0.00 -1.79 -0.83 115.11 114.83 2dbd h GLN 12 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2dbd h GLN 12 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.04 2dbd h GLN 12 CO 0.03 0.00 0.09 -0.07 0.00 0.00 0.00 178.83 178.88 2dbd h LEU 13 N 0.00 0.16 0.06 -2.39 3.38 -1.73 0.51 115.31 115.30 2dbd h LEU 13 Ca 0.05 -0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2dbd h LEU 13 Cb 0.19 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2dbd h LEU 13 CO -0.00 0.11 -0.73 -0.07 0.09 0.00 0.00 178.44 177.84 2dbd h LEU 14 N 0.19 0.19 0.25 1.67 3.38 -1.23 -2.75 115.31 117.00 2dbd h LEU 14 Ca 0.05 -0.86 -0.00 0.00 0.09 0.00 0.00 57.88 57.15 2dbd h LEU 14 Cb -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2dbd h LEU 14 CO -0.01 1.32 -0.19 0.11 0.09 0.00 0.00 178.44 179.76 2dbd h LYS 15 N -0.71 -0.43 -0.06 1.13 1.57 -1.22 0.26 116.57 117.12 2dbd h LYS 15 Ca -0.16 0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2dbd h LYS 15 Cb 1.37 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.77 2dbd h LYS 15 CO 0.01 -0.28 0.03 1.03 -0.57 0.00 0.00 179.45 179.66 2dbd h SER 16 N -0.44 0.08 -1.33 0.86 0.87 -1.07 -2.95 113.55 109.56 2dbd h SER 16 Ca -0.01 -0.10 -0.65 0.00 -1.23 0.00 0.00 61.79 59.79 2dbd h SER 16 Cb 0.39 -0.02 -0.25 0.00 -0.44 0.00 0.00 62.40 62.08 2dbd h SER 16 CO -0.01 0.15 0.84 0.59 -0.53 0.00 0.00 176.83 177.87 2dbd n ASN 17 N -4.99 7.35 0.05 6.23 3.02 -1.04 -4.62 115.26 121.27 2dbd n ASN 17 Ca -0.06 -3.65 -0.04 0.00 -0.03 0.00 0.00 54.58 50.79 2dbd n ASN 17 Cb 0.08 -1.06 -0.02 0.00 -0.61 0.00 0.00 39.78 38.17 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 2.45 -0.22 -0.12 3.52 2.43 -0.29 -2.62 114.38 119.53 2dbd h ARG 18 Ca 0.53 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.73 2dbd h ARG 18 Cb 0.51 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2dbd h ARG 18 CO 1.35 -0.11 0.08 0.93 -1.51 0.00 0.00 179.97 180.71 2dbd h GLU 19 N -1.05 0.10 -0.02 0.20 4.39 -1.84 -0.57 114.58 115.79 2dbd h GLU 19 Ca -0.02 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.53 2dbd h GLU 19 Cb 0.21 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 2dbd h GLU 19 CO 0.04 0.07 -0.66 1.25 -1.16 0.00 0.00 179.01 178.54 2dbd h LEU 20 N 0.10 0.09 0.02 1.33 5.85 -1.88 -2.97 115.31 117.85 2dbd h LEU 20 Ca 0.05 -0.05 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 2dbd h LEU 20 Cb 0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2dbd h LEU 20 CO -0.01 0.72 -1.09 -0.07 -0.34 0.00 0.00 178.44 177.66 2dbd h LEU 21 N 0.05 0.07 -1.12 2.25 3.38 -0.79 -2.85 115.31 116.29 2dbd h LEU 21 Ca -0.01 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 2dbd h LEU 21 Cb 1.18 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2dbd h LEU 21 CO 0.09 1.06 -0.44 0.58 0.09 0.00 0.00 178.44 179.82 2dbd h VAL 22 N 0.01 1.31 0.07 1.22 2.07 -1.11 0.56 116.25 120.39 2dbd h VAL 22 Ca -0.05 -1.50 -0.28 0.00 0.82 0.00 0.00 66.70 65.70 2dbd h VAL 22 Cb 1.82 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.37 2dbd h VAL 22 CO 0.14 0.43 -1.40 0.74 0.02 0.00 0.00 177.57 177.50 2dbd h THR 23 N 0.00 1.28 0.12 2.57 2.02 -1.57 -3.38 112.91 113.96 2dbd h THR 23 Ca -0.00 -2.96 -0.01 0.00 0.77 0.00 0.00 66.41 64.21 2dbd h THR 23 Cb 0.77 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 2dbd h THR 23 CO 0.06 0.82 -0.06 0.45 0.37 0.00 0.00 175.52 177.15 2dbd h HIS 24 N 0.04 -0.15 -2.71 3.16 -0.00 -1.37 -3.44 115.15 110.68 2dbd h HIS 24 Ca -0.18 -0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.63 2dbd h HIS 24 Cb 1.95 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 29.40 2dbd h HIS 24 CO 0.04 0.13 1.02 0.42 -0.00 0.00 0.00 177.93 179.54 2dbd s ILE 25 N -2.44 3.76 -0.23 2.45 1.01 0.18 -4.71 121.20 121.22 2dbd s ILE 25 Ca -0.07 0.95 -0.06 0.00 0.00 0.00 0.00 60.65 61.47 2dbd s ILE 25 Cb -0.00 -3.61 -0.12 0.00 0.01 0.00 0.00 42.46 38.73 2dbd s ILE 25 CO 0.26 -0.08 -0.26 -1.14 0.00 0.00 0.00 174.94 173.72 2dbd n ARG 26 N 6.82 0.52 -3.28 2.79 3.00 -1.26 -4.76 116.66 120.49 2dbd n ARG 26 Ca 0.16 0.18 -0.39 0.00 -0.00 0.00 0.00 57.85 57.80 2dbd n ARG 26 Cb 0.43 -1.38 -0.07 0.00 0.00 0.00 0.00 32.46 31.44 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 -6.70 6.50 -0.20 6.15 3.84 -1.26 -4.94 114.94 118.33 2dbd s ASN 27 Ca -0.32 0.60 0.12 0.00 0.21 0.00 0.00 52.86 53.47 2dbd s ASN 27 Cb 0.11 -2.27 -0.21 0.00 -0.55 0.00 0.00 41.25 38.32 2dbd s ASN 27 CO 0.45 -0.18 -0.02 0.35 -2.79 0.00 0.00 177.10 174.91 2dbd n THR 28 N 4.63 1.30 0.12 -5.21 -2.24 -1.26 -4.37 114.28 107.26 2dbd n THR 28 Ca -0.05 -0.70 0.16 0.00 -2.27 0.00 0.00 64.05 61.18 2dbd n THR 28 Cb 0.50 -0.77 0.72 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.00 -0.28 -0.78 1.08 -1.99 -1.15 115.11 111.99 2dbd h GLN 29 Ca -0.51 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 56.60 2dbd h GLN 29 Cb 2.04 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 29.47 2dbd h GLN 29 CO -0.01 0.00 -0.17 0.00 -0.95 0.00 0.00 178.83 177.70 2dbd h LEU 31 N 0.35 0.79 -0.84 0.00 3.38 -1.46 -2.63 115.31 114.90 2dbd h LEU 31 Ca 0.06 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 2dbd h LEU 31 Cb 0.70 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2dbd h LEU 31 CO 0.05 0.95 -0.45 0.58 0.09 0.00 0.00 178.44 179.66 2dbd h VAL 32 N 0.61 1.32 -0.30 1.22 2.07 -1.33 -2.00 116.25 117.84 2dbd h VAL 32 Ca 0.11 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 2dbd h VAL 32 Cb 0.59 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2dbd h VAL 32 CO 0.04 0.49 0.12 0.44 0.02 0.00 0.00 177.57 178.68 2dbd h ASP 33 N 0.24 0.42 -0.20 0.57 5.19 -0.82 0.19 116.42 122.01 2dbd h ASP 33 Ca 0.02 -0.16 -0.15 0.00 -0.62 0.00 0.00 57.03 56.12 2dbd h ASP 33 Cb 0.89 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2dbd h ASP 33 CO 0.07 0.47 -0.39 0.78 -3.12 0.00 0.00 179.24 177.05 2dbd h ASN 34 N 0.34 0.79 0.26 6.45 2.35 -1.42 -2.45 115.58 121.90 2dbd h ASN 34 Ca 0.10 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.41 2dbd h ASN 34 Cb 0.18 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 2dbd h ASN 34 CO -0.01 1.09 -0.36 -0.07 -1.65 0.00 0.00 177.43 176.43 2dbd h LEU 35 N 0.61 0.14 -0.29 1.61 3.38 -1.19 -2.82 115.31 116.75 2dbd h LEU 35 Ca 0.05 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 2dbd h LEU 35 Cb 0.94 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2dbd h LEU 35 CO 0.09 0.49 -0.74 -0.07 0.09 0.00 0.00 178.44 178.30 2dbd h LEU 36 N 0.12 0.72 -1.05 1.67 3.38 -0.79 -1.35 115.31 118.02 2dbd h LEU 36 Ca 0.01 -0.46 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2dbd h LEU 36 Cb 0.69 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2dbd h LEU 36 CO 0.05 1.23 0.26 0.50 0.09 0.00 0.00 178.44 180.57 2dbd h LYS 37 N 0.42 0.93 -0.00 1.13 1.63 -1.23 -1.37 116.57 118.07 2dbd h LYS 37 Ca -0.04 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2dbd h LYS 37 Cb 1.34 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2dbd h LYS 37 CO 0.14 0.76 0.00 0.09 -3.45 0.00 0.00 179.45 176.99 2dbd n ASN 38 N -4.31 0.40 -3.12 4.20 3.02 -1.08 -4.93 115.26 109.43 2dbd n ASN 38 Ca 0.06 -1.13 -0.14 0.00 -0.03 0.00 0.00 54.58 53.33 2dbd n ASN 38 Cb 0.17 -0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.69 -5.91 -0.00 6.41 2.03 -0.52 -4.97 116.55 112.91 2dbd n ASP 39 Ca 0.23 -0.65 -0.00 0.00 0.52 0.00 0.00 54.79 54.89 2dbd n ASP 39 Cb 0.17 -4.84 -0.00 0.00 -0.72 0.00 0.00 41.12 35.73 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 -3.17 0.00 -3.00 -0.67 4.01 -0.52 -5.01 117.16 108.80 2dbd n TYR 40 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.25 2dbd n TYR 40 Cb 0.61 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.59 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 -2.00 3.38 0.83 -0.72 0.40 -1.21 -5.04 117.98 113.62 2dbd s PHE 41 Ca -0.00 1.07 -0.11 0.00 -0.60 0.00 0.00 56.93 57.29 2dbd s PHE 41 Cb 0.00 -2.91 0.09 0.00 0.51 0.00 0.00 43.02 40.71 2dbd s PHE 41 CO 0.00 -0.24 1.10 -1.12 0.70 0.00 0.00 175.22 175.67 2dbd s SER 42 N 1.22 3.90 0.49 1.36 0.01 -1.26 -4.79 113.70 114.63 2dbd s SER 42 Ca 0.33 1.81 0.14 0.00 1.31 0.00 0.00 55.95 59.54 2dbd s SER 42 Cb -0.16 -2.45 1.15 0.00 0.21 0.00 0.00 66.02 64.77 2dbd s SER 42 CO 0.11 -2.42 2.11 0.00 0.41 0.00 0.00 173.24 173.45 2dbd h ALA 43 N -1.40 1.93 0.16 1.44 0.00 -2.00 -1.63 119.26 117.77 2dbd h ALA 43 Ca -0.45 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.15 2dbd h ALA 43 Cb 1.25 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.02 2dbd h ALA 43 CO 0.50 0.05 -1.31 0.93 0.00 0.00 0.00 179.25 179.42 2dbd h GLU 44 N 0.17 0.53 -0.33 0.00 4.39 -2.00 -2.96 114.58 114.38 2dbd h GLU 44 Ca 0.06 -0.78 -0.04 0.00 0.34 0.00 0.00 59.36 58.94 2dbd h GLU 44 Cb 0.03 0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2dbd h GLU 44 CO -0.01 1.36 0.03 -0.44 -1.16 0.00 0.00 179.01 178.79 2dbd h ASP 45 N 0.20 0.45 0.71 1.42 5.19 -1.74 -2.20 116.42 120.44 2dbd h ASP 45 Ca -0.20 -0.07 -0.17 0.00 -0.62 0.00 0.00 57.03 55.97 2dbd h ASP 45 Cb 1.99 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 41.36 2dbd h ASP 45 CO 0.24 0.50 -0.78 0.00 -3.12 0.00 0.00 179.24 176.07 2dbd h ALA 46 N 1.57 0.69 -0.23 3.45 0.00 -1.38 -3.16 119.26 120.20 2dbd h ALA 46 Ca 0.11 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 2dbd h ALA 46 Cb 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2dbd h ALA 46 CO 0.00 0.94 -0.39 1.49 0.00 0.00 0.00 179.25 181.29 2dbd h GLU 47 N 0.03 0.53 -0.38 0.00 4.81 -1.24 -2.95 114.58 115.38 2dbd h GLU 47 Ca -0.02 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 2dbd h GLU 47 Cb 1.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.74 2dbd h GLU 47 CO 0.11 0.84 -0.17 0.82 -0.73 0.00 0.00 179.01 179.88 2dbd h ILE 48 N 0.44 1.26 0.60 2.32 2.04 -1.42 -0.18 117.51 122.57 2dbd h ILE 48 Ca 0.04 -1.23 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 2dbd h ILE 48 Cb 0.88 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 38.12 2dbd h ILE 48 CO 0.08 0.41 -0.29 0.58 0.00 0.00 0.00 178.15 178.93 2dbd h VAL 49 N 0.64 0.34 0.00 1.67 2.07 -1.50 -2.98 116.25 116.49 2dbd h VAL 49 Ca 0.10 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2dbd h VAL 49 Cb 0.64 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2dbd h VAL 49 CO 0.05 0.03 -0.22 0.00 0.02 0.00 0.00 177.57 177.44 2dbd h ALA 51 N 1.78 1.73 -2.65 0.00 0.00 -0.87 -3.43 119.26 115.83 2dbd h ALA 51 Ca -0.00 -0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.34 2dbd h ALA 51 Cb 0.41 0.01 0.12 0.00 0.00 0.00 0.00 17.79 18.33 2dbd h ALA 51 CO 0.03 -0.23 0.49 0.00 0.00 0.00 0.00 179.25 179.53 2dbd h PRO 53 N 2.22 0.63 -6.03 0.00 0.13 -1.90 -3.47 132.00 123.60 2dbd h PRO 53 Ca -0.47 -0.72 -0.54 0.00 -0.87 0.00 0.00 66.00 63.40 2dbd h PRO 53 Cb 1.29 0.21 -0.06 0.00 0.13 0.00 0.00 31.00 32.57 2dbd h PRO 53 CO 0.61 1.30 -0.46 0.95 -0.23 0.00 0.00 178.00 180.17 2dbd s THR 54 N -3.21 2.53 -0.03 1.56 -4.23 -1.26 -5.07 115.64 105.94 2dbd s THR 54 Ca -0.10 -1.56 -0.24 0.00 -1.18 0.00 0.00 61.69 58.60 2dbd s THR 54 Cb 0.06 -3.00 -0.18 0.00 1.34 0.00 0.00 72.50 70.72 2dbd s THR 54 CO 0.91 -0.02 1.11 -0.61 -0.54 0.00 0.00 174.62 175.46 2dbd h GLN 55 N 1.29 -0.16 -0.95 3.99 5.75 -1.94 -3.13 115.11 119.95 2dbd h GLN 55 Ca -0.42 0.01 0.27 0.00 -0.15 0.00 0.00 58.65 58.36 2dbd h GLN 55 Cb 1.26 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 29.80 2dbd h GLN 55 CO 0.64 0.29 0.68 -1.35 -2.65 0.00 0.00 178.83 176.44 2dbd h PRO 56 N -0.69 0.05 -0.11 -2.39 0.11 -1.92 0.29 132.00 127.34 2dbd h PRO 56 Ca -0.02 -0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.93 2dbd h PRO 56 Cb 0.52 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 2dbd h PRO 56 CO 0.03 0.03 -0.63 -0.44 -0.21 0.00 0.00 178.00 176.79 2dbd h ASP 57 N 0.05 0.47 -0.26 -2.05 5.19 -1.96 -2.94 116.42 114.92 2dbd h ASP 57 Ca 0.46 -0.27 -0.03 0.00 -0.62 0.00 0.00 57.03 56.56 2dbd h ASP 57 Cb 1.75 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 41.12 2dbd h ASP 57 CO -0.03 0.97 0.03 0.11 -3.12 0.00 0.00 179.24 177.20 2dbd h LYS 58 N 0.30 0.43 -0.11 3.56 1.57 -0.38 -1.60 116.57 120.34 2dbd h LYS 58 Ca -0.01 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2dbd h LYS 58 Cb 1.17 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 2dbd h LYS 58 CO 0.11 0.57 0.00 0.28 -0.57 0.00 0.00 179.45 179.84 2dbd h VAL 59 N 0.24 0.93 0.00 0.50 2.07 -1.49 -1.51 116.25 116.98 2dbd h VAL 59 Ca 0.08 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 2dbd h VAL 59 Cb 0.35 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2dbd h VAL 59 CO 0.01 0.01 -0.15 -0.09 0.02 0.00 0.00 177.57 177.36 2dbd h ARG 60 N 0.04 0.00 -0.17 1.57 2.43 -1.49 -2.28 114.38 114.48 2dbd h ARG 60 Ca 0.05 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2dbd h ARG 60 Cb 0.06 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2dbd h ARG 60 CO -0.09 0.15 -0.12 -0.22 -1.51 0.00 0.00 179.97 178.19 2dbd h LYS 61 N 0.00 0.39 -0.27 0.20 1.63 -0.49 -2.52 116.57 115.51 2dbd h LYS 61 Ca -0.00 -0.18 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 2dbd h LYS 61 Cb 0.28 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 2dbd h LYS 61 CO 0.02 0.72 0.11 0.82 -3.45 0.00 0.00 179.45 177.67 2dbd h ILE 62 N 0.06 1.17 -0.88 2.00 2.04 -1.00 -1.44 117.51 119.45 2dbd h ILE 62 Ca 0.03 -0.51 0.08 0.00 1.00 0.00 0.00 64.86 65.46 2dbd h ILE 62 Cb 0.62 1.00 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 2dbd h ILE 62 CO 0.03 0.17 0.54 -0.07 0.00 0.00 0.00 178.15 178.83 2dbd h LEU 63 N 0.29 0.84 -0.95 1.44 3.38 -1.45 0.14 115.31 119.00 2dbd h LEU 63 Ca 0.09 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 2dbd h LEU 63 Cb 0.17 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2dbd h LEU 63 CO -0.01 0.51 -0.49 -0.78 0.09 0.00 0.00 178.44 177.76 2dbd h ASP 64 N 0.96 0.09 0.03 -0.43 1.82 -1.22 -2.61 116.42 115.06 2dbd h ASP 64 Ca 0.40 -0.04 -0.00 0.00 -0.39 0.00 0.00 57.03 57.00 2dbd h ASP 64 Cb 0.24 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.23 2dbd h ASP 64 CO -0.20 0.57 -0.01 -0.07 -1.61 0.00 0.00 179.24 177.91 2dbd h LEU 65 N 0.07 -0.04 -1.96 2.28 3.38 -0.06 -3.16 115.31 115.82 2dbd h LEU 65 Ca 0.00 -0.60 0.06 0.00 0.09 0.00 0.00 57.88 57.43 2dbd h LEU 65 Cb 0.90 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 2dbd h LEU 65 CO 0.07 0.60 0.17 0.58 0.09 0.00 0.00 178.44 179.95 2dbd h VAL 66 N -0.70 0.91 -0.30 1.22 2.07 -0.81 -0.63 116.25 118.00 2dbd h VAL 66 Ca -0.00 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.42 2dbd h VAL 66 Cb 0.63 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2dbd h VAL 66 CO 0.01 0.01 -0.15 1.56 0.02 0.00 0.00 177.57 179.02 2dbd h GLN 67 N 0.05 0.52 0.05 1.57 4.20 -1.47 -2.74 115.11 117.29 2dbd h GLN 67 Ca 0.11 -0.16 -0.23 0.00 0.06 0.00 0.00 58.65 58.43 2dbd h GLN 67 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2dbd h GLN 67 CO -0.01 0.66 -1.04 1.03 -0.67 0.00 0.00 178.83 178.80 2dbd h SER 68 N 0.48 0.26 -0.53 1.46 0.87 -1.11 -3.25 113.55 111.72 2dbd h SER 68 Ca 0.08 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2dbd h SER 68 Cb 0.54 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 2dbd h SER 68 CO 0.03 1.14 0.26 0.11 -0.53 0.00 0.00 176.83 177.84 2dbd h LYS 69 N 0.07 0.80 0.00 2.24 1.57 -1.12 -3.49 116.57 116.64 2dbd h LYS 69 Ca -0.07 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 2dbd h LYS 69 Cb 1.75 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.90 2dbd h LYS 69 CO 0.16 0.63 0.00 0.41 -0.57 0.00 0.00 179.45 180.08 2dbd n GLY 70 N -1.15 0.31 0.20 3.86 0.00 -1.06 -4.74 105.19 102.61 2dbd n GLY 70 Ca 0.05 -2.30 0.06 0.00 0.00 0.00 0.00 46.02 43.82 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 8.22 0.00 -0.46 1.61 5.08 -1.89 -2.21 114.58 124.93 2dbd h GLU 71 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2dbd h GLU 71 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2dbd h GLU 71 CO 0.00 0.35 0.33 0.93 -1.00 0.00 0.00 179.01 179.62 2dbd h GLU 72 N 0.00 0.05 0.00 2.33 5.08 -1.95 -0.72 114.58 119.38 2dbd h GLU 72 Ca -0.00 -0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.00 2dbd h GLU 72 Cb 0.80 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.97 2dbd h GLU 72 CO 0.05 0.04 -2.31 0.28 -1.00 0.00 0.00 179.01 176.06 2dbd n VAL 73 N -4.42 1.31 -0.23 3.13 0.31 -1.11 -4.27 118.33 113.05 2dbd n VAL 73 Ca 0.08 -0.78 -0.02 0.00 -0.01 0.00 0.00 64.34 63.60 2dbd n VAL 73 Cb 0.50 -0.57 0.17 0.00 -0.91 0.00 0.00 33.84 33.03 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 0.94 -0.49 4.52 0.87 -0.83 0.21 113.55 118.76 2dbd h SER 74 Ca -0.52 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 59.91 2dbd h SER 74 Cb 2.14 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 63.84 2dbd h SER 74 CO 0.02 0.78 0.15 -0.08 -0.53 0.00 0.00 176.83 177.16 2dbd h GLU 75 N 1.04 0.77 -0.18 2.24 4.81 -1.36 -1.74 114.58 120.17 2dbd h GLU 75 Ca 0.26 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.15 2dbd h GLU 75 Cb 0.08 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.35 2dbd h GLU 75 CO -0.04 0.73 -0.55 0.35 -0.73 0.00 0.00 179.01 178.78 2dbd h PHE 76 N 0.67 0.90 -0.06 0.92 3.57 -1.65 -2.15 116.94 119.13 2dbd h PHE 76 Ca 0.16 -0.36 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 2dbd h PHE 76 Cb 0.29 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2dbd h PHE 76 CO 0.02 1.16 0.03 0.35 -2.23 0.00 0.00 178.31 177.64 2dbd h PHE 77 N 0.39 0.07 0.01 0.41 3.57 -0.52 -1.54 116.94 119.33 2dbd h PHE 77 Ca -0.02 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.25 2dbd h PHE 77 Cb 1.17 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 2dbd h PHE 77 CO 0.09 0.05 -1.22 -0.07 -2.23 0.00 0.00 178.31 174.94 2dbd h LEU 78 N 0.08 0.02 -0.34 0.59 3.38 -1.24 -3.30 115.31 114.48 2dbd h LEU 78 Ca 0.02 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2dbd h LEU 78 Cb -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2dbd h LEU 78 CO -0.00 1.02 -0.12 0.22 0.09 0.00 0.00 178.44 179.64 2dbd h TYR 79 N 0.00 0.79 -0.58 1.13 5.03 -0.63 -2.98 116.97 119.74 2dbd h TYR 79 Ca -0.09 -0.18 0.04 0.00 2.58 0.00 0.00 58.73 61.07 2dbd h TYR 79 Cb 1.85 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.91 2dbd h TYR 79 CO 0.00 0.88 0.38 -0.07 -1.32 0.00 0.00 178.16 178.03 2dbd h LEU 80 N 0.48 0.55 -2.64 2.82 3.38 -1.46 -0.14 115.31 118.29 2dbd h LEU 80 Ca 0.08 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dbd h LEU 80 Cb 0.64 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2dbd h LEU 80 CO 0.04 0.38 -0.01 -0.07 0.09 0.00 0.00 178.44 178.87 2dbd h LEU 81 N 0.64 0.00 0.00 1.67 3.38 -1.60 0.65 115.31 120.05 2dbd h LEU 81 Ca 0.24 0.00 -0.00 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 40.89 2dbd h LEU 81 CO -0.07 0.01 -0.02 -0.61 0.09 0.00 0.00 178.44 177.84 2dbd h GLN 82 N 0.00 0.00 -0.10 1.13 4.15 -1.08 -2.90 115.11 116.31 2dbd h GLN 82 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 2dbd h GLN 82 Cb 0.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 2dbd h GLN 82 CO 0.00 0.91 -0.02 1.96 -1.93 0.00 0.00 178.83 179.75 2dbd h GLN 83 N -1.00 0.18 0.00 1.69 4.20 -1.40 -2.96 115.11 115.82 2dbd h GLN 83 Ca -0.01 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2dbd h GLN 83 Cb 0.92 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 2dbd h GLN 83 CO -0.00 0.49 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.54 2dbd h LEU 84 N -0.14 0.00 -1.99 1.46 3.38 -1.05 -2.07 115.31 114.91 2dbd h LEU 84 Ca 0.02 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.17 2dbd h LEU 84 Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2dbd h LEU 84 CO 0.01 0.04 0.50 0.00 0.09 0.00 0.00 178.44 179.07 2dbd h ALA 85 N 1.96 2.49 0.00 1.53 0.00 -1.33 0.23 119.26 124.14 2dbd h ALA 85 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dbd h ALA 85 Cb 0.07 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 2dbd h ALA 85 CO 0.00 -0.81 -0.01 0.22 0.00 0.00 0.00 179.25 178.65 2dbd h ASP 86 N 0.00 0.00 0.09 0.00 1.82 -1.50 -2.80 116.42 114.03 2dbd h ASP 86 Ca 0.29 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 56.57 2dbd h ASP 86 Cb 1.28 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.23 2dbd h ASP 86 CO -0.00 0.01 -2.26 0.00 -1.61 0.00 0.00 179.24 175.38 2dbd n ALA 87 N -2.52 1.40 -1.36 -0.78 0.00 0.71 -4.97 120.51 112.99 2dbd n ALA 87 Ca -0.03 -1.08 -0.31 0.00 0.00 0.00 0.00 53.44 52.03 2dbd n ALA 87 Cb 0.10 -0.33 0.09 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.53 2.70 -0.17 0.00 1.51 -0.56 -4.99 117.35 113.32 2dbd s TYR 88 Ca -0.19 1.42 0.14 0.00 -1.01 0.00 0.00 57.07 57.44 2dbd s TYR 88 Cb 0.07 -3.03 0.42 0.00 -0.11 0.00 0.00 41.96 39.31 2dbd s TYR 88 CO 0.75 -1.76 1.21 0.28 -1.11 0.00 0.00 175.55 174.92 2dbd n VAL 89 N -3.48 1.72 0.00 0.71 0.31 -1.26 -4.75 118.33 111.59 2dbd n VAL 89 Ca 0.08 -2.77 0.00 0.00 -0.01 0.00 0.00 64.34 61.64 2dbd n VAL 89 Cb 0.54 0.03 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 2dbd n VAL 89 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2dbd n ASP 90 N -0.75 0.57 -4.73 4.52 8.00 -1.26 -5.07 116.55 117.83 2dbd n ASP 90 Ca 0.17 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.27 2dbd n ASP 90 Cb 0.80 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.85 2dbd n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dbd s LEU 91 N -4.55 4.35 0.00 0.64 1.43 -1.26 -4.69 118.68 114.61 2dbd s LEU 91 Ca 0.00 1.20 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2dbd s LEU 91 Cb 0.00 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.17 2dbd s LEU 91 CO 0.00 -0.05 0.00 0.54 0.23 0.00 0.00 176.35 177.07 2dbd n ARG 92 N 3.41 0.00 0.15 1.70 1.74 -1.26 -4.72 116.66 117.68 2dbd n ARG 92 Ca -0.03 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.08 2dbd n ARG 92 Cb 0.51 0.00 0.16 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 -0.40 5.56 0.13 -2.00 -3.18 132.00 132.11 2dbd h PRO 93 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2dbd h PRO 93 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2dbd h PRO 93 CO 0.00 0.50 0.13 2.35 -0.23 0.00 0.00 178.00 180.75 2dbd h TRP 94 N 0.00 0.63 -0.19 1.56 7.01 -1.93 -1.14 115.95 121.89 2dbd h TRP 94 Ca -0.00 -0.06 -0.09 0.00 2.11 0.00 0.00 58.89 60.85 2dbd h TRP 94 Cb 1.19 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 28.05 2dbd h TRP 94 CO 0.00 0.59 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.90 2dbd h LEU 95 N 0.50 0.36 -0.77 0.65 3.38 -1.96 -2.67 115.31 114.79 2dbd h LEU 95 Ca 0.13 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2dbd h LEU 95 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2dbd h LEU 95 CO -0.01 0.62 -0.56 -0.07 0.09 0.00 0.00 178.44 178.51 2dbd h LEU 96 N 0.32 0.17 -0.75 1.67 3.38 -1.47 -1.25 115.31 117.37 2dbd h LEU 96 Ca 0.05 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2dbd h LEU 96 Cb 0.64 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2dbd h LEU 96 CO 0.05 0.70 -0.39 -0.33 0.09 0.00 0.00 178.44 178.56 2dbd h GLU 97 N 0.12 0.50 0.02 1.13 5.08 -0.88 -3.07 114.58 117.47 2dbd h GLU 97 Ca -0.00 -0.24 -0.23 0.00 -1.00 0.00 0.00 59.36 57.88 2dbd h GLU 97 Cb 1.03 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 2dbd h GLU 97 CO 0.08 0.81 -1.16 -0.84 -1.00 0.00 0.00 179.01 176.91 2dbd h ILE 98 N 0.41 1.54 -2.09 3.13 3.07 -1.39 -3.49 117.51 118.70 2dbd h ILE 98 Ca 0.04 -3.25 0.00 0.00 1.55 0.00 0.00 64.86 63.20 2dbd h ILE 98 Cb 0.87 2.80 0.00 0.00 -0.27 0.00 0.00 36.82 40.21 2dbd h ILE 98 CO 0.07 0.89 0.00 0.61 -1.05 0.00 0.00 178.15 178.68 2dbd n GLY 99 N 1.42 0.57 3.58 0.16 0.00 -0.49 -4.96 105.19 105.46 2dbd n GLY 99 Ca -0.04 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.87 3.21 0.01 1.61 2.19 -1.15 -4.75 117.98 116.23 2dbd s PHE 100 Ca 0.00 0.05 0.00 0.00 0.33 0.00 0.00 56.93 57.31 2dbd s PHE 100 Cb 0.00 -2.35 0.00 0.00 -1.31 0.00 0.00 43.02 39.36 2dbd s PHE 100 CO 0.00 -0.17 0.00 0.43 1.83 0.00 0.00 175.22 177.31 2dbd n SER 101 N 4.98 -0.06 -3.37 6.13 7.64 -1.26 -4.93 113.62 122.75 2dbd n SER 101 Ca -0.14 0.04 -0.14 0.00 1.01 0.00 0.00 58.87 59.63 2dbd n SER 101 Cb 0.52 0.16 -0.09 0.00 -1.01 0.00 0.00 64.21 63.80 2dbd n SER 101 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dbd s SER 102 N -1.07 1.23 0.00 6.43 0.01 -1.26 -5.00 113.70 114.04 2dbd s SER 102 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 2dbd s SER 102 Cb 0.00 0.71 0.00 0.00 0.21 0.00 0.00 66.02 66.94 2dbd s SER 102 CO 0.00 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2dbd n GLY 103 N 5.33 0.77 3.55 3.44 0.00 -1.26 -5.00 105.19 112.02 2dbd n GLY 103 Ca -0.01 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.47 2.64 0.06 1.61 0.04 -1.26 -4.90 135.00 131.72 2dbd s PRO 104 Ca 0.00 0.28 -0.26 0.00 0.04 0.00 0.00 61.00 61.06 2dbd s PRO 104 Cb 0.00 -4.60 0.08 0.00 0.04 0.00 0.00 34.50 30.02 2dbd s PRO 104 CO 0.00 -2.90 0.73 -1.54 0.04 0.00 0.00 177.00 173.33 2dbd s SER 105 N 7.89 -0.49 0.28 6.66 1.04 -1.26 -5.19 113.70 122.62 2dbd s SER 105 Ca 0.67 0.08 0.02 0.00 0.48 0.00 0.00 55.95 57.20 2dbd s SER 105 Cb -0.10 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.47 2dbd s SER 105 CO 0.14 -0.78 0.11 -0.55 0.98 0.00 0.00 173.24 173.13 2dbd s SER 106 N -2.43 1.38 0.00 7.02 0.15 -1.26 -5.08 113.70 113.48 2dbd s SER 106 Ca 0.01 -1.42 0.00 0.00 0.70 0.00 0.00 55.95 55.24 2dbd s SER 106 Cb -0.01 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.50 2dbd s SER 106 CO -0.09 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.21