#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 1.27 -1.75 1.61 0.15 -1.26 -4.82 113.70 108.90 2dbd s SER 2 Ca 0.00 0.02 -0.00 0.00 0.70 0.00 0.00 55.95 56.67 2dbd s SER 2 Cb 0.00 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2dbd s SER 2 CO 0.00 -0.24 0.04 -1.20 1.20 0.00 0.00 173.24 173.04 2dbd n SER 3 N 5.27 -5.88 -0.17 5.45 7.64 -1.26 -4.98 113.62 119.69 2dbd n SER 3 Ca -0.04 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2dbd n SER 3 Cb 0.50 -4.88 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 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 -1.05 -1.68 3.26 0.23 0.00 -1.26 -5.09 105.19 99.60 2dbd n GLY 4 Ca -0.24 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 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 -1.57 0.96 -0.38 1.61 1.04 -1.26 -5.09 113.70 109.01 2dbd s SER 5 Ca 0.00 -1.31 -0.26 0.00 0.48 0.00 0.00 55.95 54.86 2dbd s SER 5 Cb 0.00 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.33 2dbd s SER 5 CO 0.00 -0.70 0.92 -0.94 0.98 0.00 0.00 173.24 173.49 2dbd s SER 6 N -3.23 6.65 -1.43 7.02 1.04 -1.26 -4.95 113.70 117.55 2dbd s SER 6 Ca 0.33 0.51 -0.08 0.00 0.48 0.00 0.00 55.95 57.19 2dbd s SER 6 Cb 0.07 -2.46 -0.01 0.00 0.10 0.00 0.00 66.02 63.73 2dbd s SER 6 CO 0.10 -0.87 2.75 0.61 0.98 0.00 0.00 173.24 176.81 2dbd n GLY 7 N 4.45 4.61 2.29 7.32 0.00 -1.26 -4.82 105.19 117.78 2dbd n GLY 7 Ca 0.07 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.36 2dbd n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dbd n HIS 8 N 2.72 -4.77 0.33 1.61 -0.00 -1.26 -3.59 115.22 110.26 2dbd n HIS 8 Ca 0.70 2.84 0.14 0.00 -0.00 0.00 0.00 57.72 61.40 2dbd n HIS 8 Cb 0.27 -3.80 0.60 0.00 -0.00 0.00 0.00 29.99 27.06 2dbd n HIS 8 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 2dbd h PRO 9 N 4.20 0.00 0.05 -0.41 0.13 -1.99 0.31 132.00 134.28 2dbd h PRO 9 Ca 0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.76 2dbd h PRO 9 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2dbd h PRO 9 CO 0.00 0.00 -2.18 0.72 -0.23 0.00 0.00 178.00 176.31 2dbd n HIS 10 N -2.48 0.59 0.09 1.56 8.25 -1.26 -3.97 115.22 118.00 2dbd n HIS 10 Ca 0.01 0.15 -0.06 0.00 -0.26 0.00 0.00 57.72 57.56 2dbd n HIS 10 Cb 0.20 -1.07 0.05 0.00 1.12 0.00 0.00 29.99 30.29 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 -0.20 1.47 -0.06 1.59 2.04 -1.79 -3.13 117.51 117.42 2dbd h ILE 11 Ca -0.51 -2.40 -0.07 0.00 1.00 0.00 0.00 64.86 62.88 2dbd h ILE 11 Cb 1.85 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 40.22 2dbd h ILE 11 CO -0.08 0.70 -0.29 -0.61 0.00 0.00 0.00 178.15 177.87 2dbd h GLN 12 N 0.10 0.11 -0.21 2.37 -0.00 -0.99 -2.54 115.11 113.97 2dbd h GLN 12 Ca -0.02 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.61 2dbd h GLN 12 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.79 2dbd h GLN 12 CO 0.11 0.40 0.14 -0.07 0.00 0.00 0.00 178.83 179.41 2dbd h LEU 13 N 0.10 0.17 0.07 -2.39 3.38 -1.67 0.52 115.31 115.50 2dbd h LEU 13 Ca 0.01 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2dbd h LEU 13 Cb 0.58 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.29 2dbd h LEU 13 CO 0.04 0.12 -0.45 -0.07 0.09 0.00 0.00 178.44 178.17 2dbd h LEU 14 N 0.20 0.22 -0.62 1.67 3.38 -1.59 -2.00 115.31 116.58 2dbd h LEU 14 Ca 0.08 -0.96 0.02 0.00 0.09 0.00 0.00 57.88 57.11 2dbd h LEU 14 Cb 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2dbd h LEU 14 CO -0.02 1.21 0.40 0.11 0.09 0.00 0.00 178.44 180.23 2dbd h LYS 15 N -0.70 0.77 0.14 1.13 1.57 -1.26 -0.53 116.57 117.70 2dbd h LYS 15 Ca -0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2dbd h LYS 15 Cb 1.32 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.46 2dbd h LYS 15 CO 0.06 0.51 -0.07 0.77 -0.57 0.00 0.00 179.45 180.16 2dbd h SER 16 N 0.80 -0.16 -1.22 0.86 0.02 -1.03 -3.28 113.55 109.54 2dbd h SER 16 Ca 0.24 -0.38 -0.55 0.00 -0.84 0.00 0.00 61.79 60.25 2dbd h SER 16 Cb -0.04 0.04 -0.20 0.00 0.14 0.00 0.00 62.40 62.34 2dbd h SER 16 CO -0.07 0.35 0.57 0.59 -1.14 0.00 0.00 176.83 177.13 2dbd n ASN 17 N -4.93 6.78 -0.05 3.07 3.02 -0.75 -4.55 115.26 117.84 2dbd n ASN 17 Ca -0.08 -3.37 -0.09 0.00 -0.03 0.00 0.00 54.58 51.01 2dbd n ASN 17 Cb 0.27 -1.17 -0.08 0.00 -0.61 0.00 0.00 39.78 38.19 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 2.81 -0.02 -0.03 3.52 2.43 -1.15 -2.64 114.38 119.29 2dbd h ARG 18 Ca 0.44 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.49 2dbd h ARG 18 Cb 0.58 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2dbd h ARG 18 CO 1.03 0.60 -0.52 0.93 -1.51 0.00 0.00 179.97 180.50 2dbd h GLU 19 N -0.98 0.08 -0.28 0.20 4.39 -1.86 -2.96 114.58 113.18 2dbd h GLU 19 Ca -0.00 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2dbd h GLU 19 Cb 0.63 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2dbd h GLU 19 CO 0.00 0.59 -0.26 1.25 -1.16 0.00 0.00 179.01 179.43 2dbd h LEU 20 N 0.07 0.72 -1.57 1.33 5.85 -1.87 -3.03 115.31 116.80 2dbd h LEU 20 Ca -0.00 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.23 2dbd h LEU 20 Cb 0.94 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2dbd h LEU 20 CO 0.07 1.04 0.03 -0.07 -0.34 0.00 0.00 178.44 179.17 2dbd h LEU 21 N 0.41 0.28 -1.44 2.25 3.38 -1.41 -0.26 115.31 118.51 2dbd h LEU 21 Ca 0.05 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2dbd h LEU 21 Cb 0.83 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2dbd h LEU 21 CO 0.07 0.31 -0.28 0.58 0.09 0.00 0.00 178.44 179.20 2dbd h VAL 22 N 0.31 1.09 0.09 1.22 2.07 -1.40 0.19 116.25 119.81 2dbd h VAL 22 Ca 0.07 -1.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.26 2dbd h VAL 22 Cb 0.16 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 2dbd h VAL 22 CO -0.00 0.28 -1.82 0.74 0.02 0.00 0.00 177.57 176.79 2dbd h THR 23 N 0.00 0.80 0.09 2.57 2.02 -1.27 -3.39 112.91 113.72 2dbd h THR 23 Ca -0.00 -2.54 -0.00 0.00 0.77 0.00 0.00 66.41 64.64 2dbd h THR 23 Cb 0.53 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.48 2dbd h THR 23 CO 0.04 0.76 -0.04 0.45 0.37 0.00 0.00 175.52 177.10 2dbd h HIS 24 N 0.05 -0.11 -3.59 3.16 -0.00 -0.95 -3.45 115.15 110.26 2dbd h HIS 24 Ca -0.35 -0.00 -0.52 0.00 -0.00 0.00 0.00 60.37 59.50 2dbd h HIS 24 Cb 2.03 0.04 0.03 0.00 -0.00 0.00 0.00 27.41 29.50 2dbd h HIS 24 CO 0.05 0.43 0.57 0.42 -0.00 0.00 0.00 177.93 179.40 2dbd s ILE 25 N -3.35 3.37 -0.06 2.45 1.01 0.64 -4.48 121.20 120.78 2dbd s ILE 25 Ca -0.14 1.22 0.01 0.00 0.00 0.00 0.00 60.65 61.74 2dbd s ILE 25 Cb 0.00 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 2dbd s ILE 25 CO 0.55 0.23 -0.04 -1.14 0.00 0.00 0.00 174.94 174.53 2dbd n ARG 26 N 2.00 0.63 -3.83 2.79 3.00 -1.26 -4.77 116.66 115.23 2dbd n ARG 26 Ca 0.03 0.03 -0.36 0.00 -0.00 0.00 0.00 57.85 57.55 2dbd n ARG 26 Cb 0.44 -1.13 -0.07 0.00 0.00 0.00 0.00 32.46 31.70 2dbd n ARG 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 2dbd s ASN 27 N -4.46 6.28 -0.06 6.15 0.01 -1.26 -4.97 114.94 116.63 2dbd s ASN 27 Ca -0.08 0.35 0.03 0.00 -0.71 0.00 0.00 52.86 52.46 2dbd s ASN 27 Cb 0.02 -2.07 -0.06 0.00 0.41 0.00 0.00 41.25 39.55 2dbd s ASN 27 CO 0.16 0.31 -0.02 0.35 -1.51 0.00 0.00 177.10 176.39 2dbd n THR 28 N 2.67 0.41 0.09 1.60 -2.24 -1.26 -4.61 114.28 110.95 2dbd n THR 28 Ca -0.18 -0.21 0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2dbd n THR 28 Cb 0.54 -0.81 0.63 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.08 -0.11 -0.78 5.75 -1.98 -0.00 115.11 118.07 2dbd h GLN 29 Ca -0.16 -0.01 -0.11 0.00 -0.15 0.00 0.00 58.65 58.22 2dbd h GLN 29 Cb 1.32 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.83 2dbd h GLN 29 CO -0.01 0.06 -0.44 0.00 -2.65 0.00 0.00 178.83 175.79 2dbd h LEU 31 N 0.21 0.17 0.03 0.00 3.38 -1.30 -3.10 115.31 114.70 2dbd h LEU 31 Ca 0.02 -0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.55 2dbd h LEU 31 Cb 0.87 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 2dbd h LEU 31 CO 0.07 1.13 -1.33 0.58 0.09 0.00 0.00 178.44 178.98 2dbd h VAL 32 N 0.03 1.34 0.32 1.22 2.07 -1.10 -3.10 116.25 117.03 2dbd h VAL 32 Ca -0.06 -3.07 -0.02 0.00 0.82 0.00 0.00 66.70 64.38 2dbd h VAL 32 Cb 1.82 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 34.31 2dbd h VAL 32 CO 0.16 0.80 -0.15 0.44 0.02 0.00 0.00 177.57 178.83 2dbd h ASP 33 N 0.02 -0.37 -0.43 0.57 5.19 -0.36 -1.44 116.42 119.60 2dbd h ASP 33 Ca -0.14 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 2dbd h ASP 33 Cb 1.90 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 41.48 2dbd h ASP 33 CO 0.13 -0.07 0.28 0.78 -3.12 0.00 0.00 179.24 177.23 2dbd h ASN 34 N -0.67 0.51 -0.11 6.45 2.35 -1.69 -1.18 115.58 121.24 2dbd h ASN 34 Ca -0.04 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 2dbd h ASN 34 Cb 0.47 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2dbd h ASN 34 CO 0.07 0.39 0.07 -0.07 -1.65 0.00 0.00 177.43 176.24 2dbd h LEU 35 N 0.58 0.10 -0.03 1.61 3.38 -1.53 -0.16 115.31 119.26 2dbd h LEU 35 Ca 0.16 -0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.92 2dbd h LEU 35 Cb -0.04 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.70 2dbd h LEU 35 CO -0.03 0.07 -0.77 -0.07 0.09 0.00 0.00 178.44 177.73 2dbd h LEU 36 N 0.12 0.73 -1.16 1.67 3.38 -0.48 0.17 115.31 119.74 2dbd h LEU 36 Ca 0.04 -0.72 -0.09 0.00 0.09 0.00 0.00 57.88 57.20 2dbd h LEU 36 Cb 0.02 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2dbd h LEU 36 CO -0.01 1.35 -0.42 0.50 0.09 0.00 0.00 178.44 179.96 2dbd h LYS 37 N 0.18 0.00 -0.00 1.13 1.63 -0.62 -2.25 116.57 116.63 2dbd h LYS 37 Ca -0.09 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2dbd h LYS 37 Cb 1.44 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 2dbd h LYS 37 CO 0.15 0.42 0.00 0.09 -3.45 0.00 0.00 179.45 176.66 2dbd n ASN 38 N -4.01 0.30 -1.76 4.20 3.02 -0.13 -4.89 115.26 111.99 2dbd n ASN 38 Ca -0.02 -1.11 -0.14 0.00 -0.03 0.00 0.00 54.58 53.29 2dbd n ASN 38 Cb 0.45 -0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.63 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 -0.76 -4.30 -0.11 6.41 2.03 -0.85 -4.92 116.55 114.05 2dbd n ASP 39 Ca 0.23 -0.10 -0.23 0.00 0.52 0.00 0.00 54.79 55.21 2dbd n ASP 39 Cb 0.16 -3.33 -0.12 0.00 -0.72 0.00 0.00 41.12 37.11 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 -4.03 0.30 -2.87 -0.67 4.01 0.51 -4.99 117.16 109.42 2dbd n TYR 40 Ca -0.12 0.09 -0.21 0.00 -0.16 0.00 0.00 57.90 57.50 2dbd n TYR 40 Cb 0.60 -1.04 0.02 0.00 -0.31 0.00 0.00 39.34 38.61 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 -2.51 2.97 0.27 -0.72 0.40 -0.72 -5.00 117.98 112.68 2dbd s PHE 41 Ca -0.34 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2dbd s PHE 41 Cb 0.10 -2.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.07 2dbd s PHE 41 CO 0.59 -0.59 0.09 -1.12 0.70 0.00 0.00 175.22 174.90 2dbd s SER 42 N -4.33 1.39 0.42 1.36 0.01 -1.26 -4.77 113.70 106.52 2dbd s SER 42 Ca 0.53 -1.39 0.08 0.00 1.31 0.00 0.00 55.95 56.49 2dbd s SER 42 Cb -0.10 0.13 0.90 0.00 0.21 0.00 0.00 66.02 67.16 2dbd s SER 42 CO 0.37 -0.72 2.06 0.00 0.41 0.00 0.00 173.24 175.36 2dbd h ALA 43 N 2.33 1.73 -0.17 1.44 0.00 -2.00 0.86 119.26 123.46 2dbd h ALA 43 Ca -0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2dbd h ALA 43 Cb 1.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2dbd h ALA 43 CO 0.62 0.25 -0.05 1.05 0.00 0.00 0.00 179.25 181.12 2dbd h GLU 44 N 0.48 0.34 -0.26 0.00 4.11 -1.99 -0.73 114.58 116.52 2dbd h GLU 44 Ca 0.13 -0.13 -0.13 0.00 0.07 0.00 0.00 59.36 59.29 2dbd h GLU 44 Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2dbd h GLU 44 CO -0.03 0.61 -0.39 -0.44 0.07 0.00 0.00 179.01 178.84 2dbd h ASP 45 N 0.04 0.64 -0.15 3.06 5.19 -1.86 -3.05 116.42 120.29 2dbd h ASP 45 Ca 0.04 -0.28 -0.13 0.00 -0.62 0.00 0.00 57.03 56.04 2dbd h ASP 45 Cb 0.49 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 2dbd h ASP 45 CO 0.02 0.97 -0.33 0.00 -3.12 0.00 0.00 179.24 176.78 2dbd h ALA 46 N 1.07 0.86 0.00 3.45 0.00 -0.80 -2.80 119.26 121.04 2dbd h ALA 46 Ca 0.04 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2dbd h ALA 46 Cb 0.90 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2dbd h ALA 46 CO 0.08 0.63 -0.04 1.49 0.00 0.00 0.00 179.25 181.41 2dbd h GLU 47 N 0.55 0.00 -0.04 0.00 4.22 -1.02 -1.81 114.58 116.49 2dbd h GLU 47 Ca 0.06 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.34 2dbd h GLU 47 Cb 0.83 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.09 2dbd h GLU 47 CO 0.07 0.04 -0.60 0.82 -2.18 0.00 0.00 179.01 177.16 2dbd h ILE 48 N 0.00 1.39 0.72 2.32 2.04 -1.46 -2.24 117.51 120.28 2dbd h ILE 48 Ca -0.00 -2.00 -0.04 0.00 1.00 0.00 0.00 64.86 63.83 2dbd h ILE 48 Cb 0.07 2.43 0.01 0.00 -0.74 0.00 0.00 36.82 38.59 2dbd h ILE 48 CO 0.01 0.59 -0.35 0.58 0.00 0.00 0.00 178.15 178.98 2dbd h VAL 49 N 0.02 0.26 -0.00 1.67 2.07 -1.28 -2.77 116.25 116.21 2dbd h VAL 49 Ca -0.06 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2dbd h VAL 49 Cb 1.28 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 2dbd h VAL 49 CO 0.12 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.72 2dbd h ALA 51 N 2.00 1.42 -2.66 0.00 0.00 -1.10 -3.43 119.26 115.48 2dbd h ALA 51 Ca 0.00 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2dbd h ALA 51 Cb 0.01 0.01 0.14 0.00 0.00 0.00 0.00 17.79 17.94 2dbd h ALA 51 CO -0.00 -0.18 0.31 0.00 0.00 0.00 0.00 179.25 179.38 2dbd h PRO 53 N 1.51 0.53 0.00 0.00 0.13 -1.89 -3.47 132.00 128.80 2dbd h PRO 53 Ca -0.47 -0.58 -0.46 0.00 -0.87 0.00 0.00 66.00 63.62 2dbd h PRO 53 Cb 1.32 0.17 -0.09 0.00 0.13 0.00 0.00 31.00 32.53 2dbd h PRO 53 CO 0.57 1.20 -0.35 0.25 -0.23 0.00 0.00 178.00 179.44 2dbd n THR 54 N -3.79 0.00 -0.03 1.56 -2.24 -1.26 -5.08 114.28 103.44 2dbd n THR 54 Ca -0.09 -1.75 -0.11 0.00 -2.27 0.00 0.00 64.05 59.83 2dbd n THR 54 Cb 0.86 0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.05 -0.78 -0.78 5.75 -1.96 -3.25 115.11 114.04 2dbd h GLN 55 Ca -0.28 0.00 0.23 0.00 -0.15 0.00 0.00 58.65 58.44 2dbd h GLN 55 Cb 0.92 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.45 2dbd h GLN 55 CO 0.47 0.60 0.66 -1.35 -2.65 0.00 0.00 178.83 176.55 2dbd h PRO 56 N -0.89 0.00 -0.05 -2.39 0.11 -1.93 0.29 132.00 127.14 2dbd h PRO 56 Ca -0.01 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 2dbd h PRO 56 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2dbd h PRO 56 CO 0.01 0.00 -0.83 -0.44 -0.21 0.00 0.00 178.00 176.53 2dbd h ASP 57 N 0.00 0.57 -0.38 -2.05 5.19 -1.96 -3.14 116.42 114.65 2dbd h ASP 57 Ca 0.37 -0.41 -0.03 0.00 -0.62 0.00 0.00 57.03 56.34 2dbd h ASP 57 Cb 1.68 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 41.00 2dbd h ASP 57 CO -0.00 1.18 0.11 0.11 -3.12 0.00 0.00 179.24 177.51 2dbd h LYS 58 N 0.30 0.60 -0.15 3.56 1.57 -0.46 -1.74 116.57 120.25 2dbd h LYS 58 Ca -0.06 -0.14 0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2dbd h LYS 58 Cb 1.43 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2dbd h LYS 58 CO 0.15 0.62 0.10 0.28 -0.57 0.00 0.00 179.45 180.03 2dbd h VAL 59 N 0.47 1.00 0.00 0.50 2.07 -1.53 0.46 116.25 119.22 2dbd h VAL 59 Ca 0.12 -0.05 -0.18 0.00 0.82 0.00 0.00 66.70 67.42 2dbd h VAL 59 Cb 0.28 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2dbd h VAL 59 CO -0.00 0.02 -0.85 -0.09 0.02 0.00 0.00 177.57 176.67 2dbd h ARG 60 N 0.13 0.00 0.12 1.57 1.12 -1.42 -3.22 114.38 112.69 2dbd h ARG 60 Ca 0.06 0.00 -0.24 0.00 -1.11 0.00 0.00 59.98 58.69 2dbd h ARG 60 Cb 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 30.07 2dbd h ARG 60 CO -0.01 0.85 -1.02 -0.22 -3.11 0.00 0.00 179.97 176.46 2dbd h LYS 61 N 0.00 0.48 -0.08 0.20 1.63 -0.32 -3.09 116.57 115.39 2dbd h LYS 61 Ca -0.01 -0.67 0.02 0.00 -0.85 0.00 0.00 60.65 59.14 2dbd h LYS 61 Cb 1.62 0.23 -0.00 0.00 -0.60 0.00 0.00 32.23 33.48 2dbd h LYS 61 CO 0.11 1.29 0.06 0.82 -3.45 0.00 0.00 179.45 178.28 2dbd h ILE 62 N -0.01 0.92 -0.04 2.00 2.04 -1.06 -1.45 117.51 119.92 2dbd h ILE 62 Ca -0.16 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.46 2dbd h ILE 62 Cb 1.74 0.96 0.02 0.00 -0.74 0.00 0.00 36.82 38.80 2dbd h ILE 62 CO 0.19 0.00 -0.91 -0.07 0.00 0.00 0.00 178.15 177.37 2dbd h LEU 63 N 0.00 0.87 -1.24 1.44 3.38 -1.59 -2.58 115.31 115.58 2dbd h LEU 63 Ca 0.04 -0.71 -0.07 0.00 0.09 0.00 0.00 57.88 57.22 2dbd h LEU 63 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2dbd h LEU 63 CO -0.00 1.46 -0.30 -0.78 0.09 0.00 0.00 178.44 178.90 2dbd h ASP 64 N 0.36 0.12 0.10 -0.43 3.58 -1.27 -1.61 116.42 117.28 2dbd h ASP 64 Ca -0.10 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.30 2dbd h ASP 64 Cb 1.56 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.58 2dbd h ASP 64 CO 0.18 0.43 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.85 2dbd h LEU 65 N 0.11 -0.12 -1.90 2.28 3.38 -1.31 -2.69 115.31 115.08 2dbd h LEU 65 Ca 0.02 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2dbd h LEU 65 Cb 0.60 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2dbd h LEU 65 CO 0.04 0.47 0.01 0.58 0.09 0.00 0.00 178.44 179.64 2dbd h VAL 66 N -0.79 1.03 -0.03 1.22 2.07 -1.43 -1.27 116.25 117.06 2dbd h VAL 66 Ca -0.01 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 2dbd h VAL 66 Cb 0.57 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 2dbd h VAL 66 CO 0.02 0.04 -0.62 1.56 0.02 0.00 0.00 177.57 178.59 2dbd h GLN 67 N 0.08 0.09 -0.02 1.57 4.20 -1.31 -3.03 115.11 116.68 2dbd h GLN 67 Ca 0.02 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 2dbd h GLN 67 Cb 0.03 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2dbd h GLN 67 CO -0.00 0.68 -0.70 0.77 -0.67 0.00 0.00 178.83 178.91 2dbd h SER 68 N 0.07 0.13 0.00 1.46 0.02 -0.89 -3.35 113.55 110.99 2dbd h SER 68 Ca -0.01 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2dbd h SER 68 Cb 1.11 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2dbd h SER 68 CO 0.09 0.79 0.00 0.29 -1.14 0.00 0.00 176.83 176.86 2dbd n LYS 69 N -3.75 0.00 -2.62 3.45 5.02 -0.94 -5.07 118.16 114.24 2dbd n LYS 69 Ca -0.02 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 2dbd n LYS 69 Cb 0.68 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 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 -0.02 -0.32 0.19 0.72 0.00 -1.16 -4.92 105.19 99.68 2dbd n GLY 70 Ca 0.00 -1.43 0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 1.59 0.00 -0.39 1.61 4.39 -1.93 -0.70 114.58 119.16 2dbd h GLU 71 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 2dbd h GLU 71 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2dbd h GLU 71 CO 0.00 0.39 0.28 1.49 -1.16 0.00 0.00 179.01 180.01 2dbd h GLU 72 N 0.00 0.00 0.00 2.33 4.81 -1.95 -1.93 114.58 117.84 2dbd h GLU 72 Ca -0.00 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2dbd h GLU 72 Cb 0.79 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.12 2dbd h GLU 72 CO 0.05 0.00 -1.97 0.28 -0.73 0.00 0.00 179.01 176.64 2dbd n VAL 73 N -4.42 0.97 -0.17 0.32 0.31 -1.09 -4.24 118.33 110.01 2dbd n VAL 73 Ca 0.06 -0.59 0.06 0.00 -0.01 0.00 0.00 64.34 63.86 2dbd n VAL 73 Cb 0.47 -0.65 0.35 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.67 -0.04 4.52 0.87 -0.77 0.25 113.55 119.05 2dbd h SER 74 Ca -0.38 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.10 2dbd h SER 74 Cb 1.86 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.68 2dbd h SER 74 CO 0.02 0.44 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.40 2dbd h GLU 75 N 0.77 0.27 -0.77 2.24 4.81 -1.59 -2.40 114.58 117.91 2dbd h GLU 75 Ca 0.30 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2dbd h GLU 75 Cb 0.20 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 2dbd h GLU 75 CO -0.09 0.89 0.29 0.35 -0.73 0.00 0.00 179.01 179.71 2dbd h PHE 76 N -0.28 1.19 -0.47 0.92 3.57 -1.63 0.22 116.94 120.46 2dbd h PHE 76 Ca -0.02 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.29 2dbd h PHE 76 Cb 0.95 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2dbd h PHE 76 CO 0.14 0.91 -0.07 0.35 -2.23 0.00 0.00 178.31 177.42 2dbd h PHE 77 N 1.13 0.89 0.02 0.41 3.57 -0.57 -1.93 116.94 120.45 2dbd h PHE 77 Ca 0.25 -0.15 -0.20 0.00 3.53 0.00 0.00 57.97 61.40 2dbd h PHE 77 Cb 0.25 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 2dbd h PHE 77 CO 0.02 0.85 -0.94 -0.07 -2.23 0.00 0.00 178.31 175.94 2dbd h LEU 78 N 0.75 0.11 -0.75 0.59 3.38 -1.07 -3.25 115.31 115.07 2dbd h LEU 78 Ca 0.13 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 2dbd h LEU 78 Cb 0.55 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2dbd h LEU 78 CO 0.03 0.99 -0.32 0.22 0.09 0.00 0.00 178.44 179.45 2dbd h TYR 79 N 0.03 0.69 -0.76 1.13 5.03 -0.36 -3.04 116.97 119.69 2dbd h TYR 79 Ca -0.03 -0.17 0.00 0.00 2.58 0.00 0.00 58.73 61.11 2dbd h TYR 79 Cb 1.64 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 39.72 2dbd h TYR 79 CO 0.01 0.84 0.49 -0.07 -1.32 0.00 0.00 178.16 178.11 2dbd h LEU 80 N 0.51 0.89 -2.00 2.82 3.38 -1.39 -1.68 115.31 117.84 2dbd h LEU 80 Ca 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2dbd h LEU 80 Cb 0.80 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 2dbd h LEU 80 CO 0.07 0.67 0.01 -0.07 0.09 0.00 0.00 178.44 179.20 2dbd h LEU 81 N 1.04 0.00 0.03 1.67 3.38 -1.59 0.32 115.31 120.16 2dbd h LEU 81 Ca 0.28 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2dbd h LEU 81 Cb -0.09 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2dbd h LEU 81 CO -0.06 0.00 -0.02 -0.61 0.09 0.00 0.00 178.44 177.85 2dbd h GLN 82 N 0.00 -0.05 -0.07 1.13 -0.00 -1.31 -0.71 115.11 114.11 2dbd h GLN 82 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.64 2dbd h GLN 82 Cb 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.52 2dbd h GLN 82 CO -0.00 0.49 -0.05 1.96 0.00 0.00 0.00 178.83 181.22 2dbd h GLN 83 N -0.61 0.16 0.00 1.69 1.08 -1.11 -2.92 115.11 113.41 2dbd h GLN 83 Ca -0.00 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2dbd h GLN 83 Cb 0.55 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2dbd h GLN 83 CO 0.01 0.57 0.00 1.28 -0.95 0.00 0.00 178.83 179.74 2dbd n LEU 84 N -4.74 0.44 0.03 1.46 4.77 0.11 -2.96 117.00 116.11 2dbd n LEU 84 Ca -0.07 0.62 0.21 0.00 -0.03 0.00 0.00 56.01 56.74 2dbd n LEU 84 Cb 0.28 -0.57 0.73 0.00 -2.33 0.00 0.00 43.42 41.53 2dbd n LEU 84 CO 0.36 -0.49 1.19 0.00 -1.33 0.00 0.00 177.39 177.12 2dbd h ALA 85 N 2.31 2.34 -0.19 -1.18 0.00 -0.91 0.10 119.26 121.72 2dbd h ALA 85 Ca 0.00 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2dbd h ALA 85 Cb 0.29 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2dbd h ALA 85 CO 0.00 -0.70 0.14 -0.44 0.00 0.00 0.00 179.25 178.24 2dbd h ASP 86 N 0.00 0.06 -0.80 0.00 3.32 -1.72 -1.20 116.42 116.08 2dbd h ASP 86 Ca 0.24 -0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.80 2dbd h ASP 86 Cb 1.12 -0.01 -0.27 0.00 0.22 0.00 0.00 39.33 40.39 2dbd h ASP 86 CO -0.00 0.04 0.32 0.00 -1.72 0.00 0.00 179.24 177.88 2dbd n ALA 87 N -2.56 5.44 -2.69 3.45 0.00 0.36 -4.96 120.51 119.55 2dbd n ALA 87 Ca 0.01 -3.28 -0.19 0.00 0.00 0.00 0.00 53.44 49.98 2dbd n ALA 87 Cb 0.22 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 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 -3.50 1.06 -0.23 0.00 2.02 -0.45 -5.06 117.35 111.18 2dbd s TYR 88 Ca 0.55 -0.34 -0.14 0.00 -0.37 0.00 0.00 57.07 56.78 2dbd s TYR 88 Cb 0.46 -0.64 -0.10 0.00 -0.40 0.00 0.00 41.96 41.29 2dbd s TYR 88 CO 0.03 0.01 -0.33 0.28 -1.57 0.00 0.00 175.55 173.98 2dbd n VAL 89 N 2.00 1.42 0.14 0.71 0.31 -1.26 -4.54 118.33 117.10 2dbd n VAL 89 Ca -0.18 -0.23 0.01 0.00 -0.01 0.00 0.00 64.34 63.93 2dbd n VAL 89 Cb 0.55 -1.95 0.32 0.00 -0.91 0.00 0.00 33.84 31.85 2dbd n VAL 89 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 2dbd h ASP 90 N -0.91 0.14 -3.50 4.52 3.32 -1.96 -3.41 116.42 114.61 2dbd h ASP 90 Ca -0.50 -0.05 -0.60 0.00 0.02 0.00 0.00 57.03 55.90 2dbd h ASP 90 Cb 1.41 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.81 2dbd h ASP 90 CO -0.30 0.46 -0.24 -0.76 -1.72 0.00 0.00 179.24 176.68 2dbd s LEU 91 N -8.35 4.15 0.01 1.55 1.43 -1.26 -4.71 118.68 111.49 2dbd s LEU 91 Ca -0.04 0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.51 2dbd s LEU 91 Cb 0.14 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.91 2dbd s LEU 91 CO 0.74 -0.06 0.00 0.54 0.23 0.00 0.00 176.35 177.80 2dbd n ARG 92 N 4.46 0.00 0.16 1.70 1.74 -1.26 -4.67 116.66 118.79 2dbd n ARG 92 Ca -0.09 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.02 2dbd n ARG 92 Cb 0.51 0.00 0.21 0.00 -1.02 0.00 0.00 32.46 32.16 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 -0.69 5.56 0.13 -1.93 -3.19 132.00 131.88 2dbd h PRO 93 Ca 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.15 2dbd h PRO 93 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 2dbd h PRO 93 CO 0.00 0.48 0.46 2.35 -0.23 0.00 0.00 178.00 181.06 2dbd h TRP 94 N 0.00 0.82 -0.18 1.56 7.01 -1.93 -1.16 115.95 122.07 2dbd h TRP 94 Ca -0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.03 2dbd h TRP 94 Cb 1.10 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 2dbd h TRP 94 CO 0.00 0.49 0.12 -0.07 -2.79 0.00 0.00 178.44 176.20 2dbd h LEU 95 N 0.87 0.16 0.03 0.65 3.38 -1.93 0.49 115.31 118.95 2dbd h LEU 95 Ca 0.27 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.01 2dbd h LEU 95 Cb 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2dbd h LEU 95 CO -0.07 0.12 -1.07 -0.07 0.09 0.00 0.00 178.44 177.44 2dbd h LEU 96 N 0.19 0.09 -0.11 1.67 3.38 -1.39 -2.57 115.31 116.58 2dbd h LEU 96 Ca 0.07 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.73 2dbd h LEU 96 Cb 0.06 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2dbd h LEU 96 CO -0.01 1.08 -0.76 -0.33 0.09 0.00 0.00 178.44 178.51 2dbd h GLU 97 N 0.02 0.70 -0.10 1.13 5.08 -0.78 -3.23 114.58 117.40 2dbd h GLU 97 Ca -0.04 -0.61 -0.12 0.00 -1.00 0.00 0.00 59.36 57.59 2dbd h GLU 97 Cb 1.82 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 2dbd h GLU 97 CO 0.14 1.22 -0.48 -0.84 -1.00 0.00 0.00 179.01 178.06 2dbd h ILE 98 N 0.38 1.34 -1.30 3.13 3.07 -1.04 -3.48 117.51 119.61 2dbd h ILE 98 Ca -0.06 -1.68 0.00 0.00 1.55 0.00 0.00 64.86 64.67 2dbd h ILE 98 Cb 1.40 1.79 0.00 0.00 -0.27 0.00 0.00 36.82 39.74 2dbd h ILE 98 CO 0.15 0.50 0.00 0.61 -1.05 0.00 0.00 178.15 178.36 2dbd n GLY 99 N -0.03 0.69 3.06 0.16 0.00 -1.06 -5.09 105.19 102.92 2dbd n GLY 99 Ca -0.02 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.28 2.50 0.24 1.61 2.19 -0.99 -5.07 117.98 116.17 2dbd s PHE 100 Ca 0.00 -1.49 0.10 0.00 0.33 0.00 0.00 56.93 55.88 2dbd s PHE 100 Cb 0.00 -1.75 -0.05 0.00 -1.31 0.00 0.00 43.02 39.91 2dbd s PHE 100 CO 0.00 -0.75 -0.18 -1.12 1.83 0.00 0.00 175.22 175.00 2dbd s SER 101 N 1.38 3.16 1.11 6.13 0.01 -1.26 -4.80 113.70 119.43 2dbd s SER 101 Ca 0.04 -1.01 -0.18 0.00 1.31 0.00 0.00 55.95 56.10 2dbd s SER 101 Cb -0.14 -0.23 0.26 0.00 0.21 0.00 0.00 66.02 66.13 2dbd s SER 101 CO -0.11 -0.04 1.22 -0.94 0.41 0.00 0.00 173.24 173.78 2dbd s SER 102 N -3.36 1.75 0.00 2.44 1.04 -1.26 -5.08 113.70 109.23 2dbd s SER 102 Ca 0.26 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2dbd s SER 102 Cb -0.04 -0.48 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2dbd s SER 102 CO 0.11 -3.59 0.00 0.61 0.98 0.00 0.00 173.24 171.35 2dbd n GLY 103 N -2.29 2.26 0.09 7.32 0.00 -1.26 -5.03 105.19 106.28 2dbd n GLY 103 Ca 0.15 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 2dbd n GLY 103 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dbd h PRO 104 N 0.00 -0.09 -5.28 1.61 0.13 -2.10 -3.49 132.00 122.78 2dbd h PRO 104 Ca 0.00 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.14 2dbd h PRO 104 Cb 0.00 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.06 2dbd h PRO 104 CO 0.00 0.31 -1.23 0.45 -0.23 0.00 0.00 178.00 177.30 2dbd n SER 105 N -4.94 -3.00 0.17 1.44 2.88 -1.26 -4.94 113.62 103.97 2dbd n SER 105 Ca -0.08 1.26 -0.07 0.00 -1.33 0.00 0.00 58.87 58.65 2dbd n SER 105 Cb 0.23 -4.52 -0.03 0.00 -0.75 0.00 0.00 64.21 59.14 2dbd n SER 105 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2dbd h SER 106 N 4.11 -0.37 0.00 -3.46 4.64 -2.07 -3.56 113.55 112.84 2dbd h SER 106 Ca -0.37 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 2dbd h SER 106 Cb 0.87 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2dbd h SER 106 CO 0.02 -0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.35