#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi s SER 5 N 0.00 6.14 0.28 1.08 1.04 -1.26 -4.98 113.70 116.00 2xdi s SER 5 Ca 0.00 0.88 0.12 0.00 0.48 0.00 0.00 55.95 57.43 2xdi s SER 5 Cb 0.00 -2.14 0.34 0.00 0.10 0.00 0.00 66.02 64.32 2xdi s SER 5 CO 0.00 -0.66 1.59 1.55 0.98 0.00 0.00 173.24 176.70 2xdi h PRO 6 N 0.16 0.00 0.00 4.02 0.13 -2.15 -3.45 132.00 130.71 2xdi h PRO 6 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 2xdi h PRO 6 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 2xdi h PRO 6 CO 0.61 0.61 -0.02 0.66 -0.23 0.00 0.00 178.00 179.63 2xdi n TYR 7 N -3.66 -1.88 -1.83 1.56 4.02 -1.26 -5.00 117.16 109.11 2xdi n TYR 7 Ca -0.01 -0.07 -0.03 0.00 -0.01 0.00 0.00 57.90 57.78 2xdi n TYR 7 Cb 0.64 -0.16 -0.03 0.00 -0.02 0.00 0.00 39.34 39.77 2xdi n TYR 7 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2xdi n SER 8 N -2.74 -0.48 -0.02 7.72 2.88 -1.26 -5.14 113.62 114.57 2xdi n SER 8 Ca 0.01 -1.23 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 2xdi n SER 8 Cb 0.06 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xdi n ALA 9 N 0.00 0.00 -3.27 -1.46 0.00 -1.26 -4.87 120.51 109.65 2xdi n ALA 9 Ca -0.13 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.34 2xdi n ALA 9 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 2xdi n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi s ALA 10 N -1.37 -3.06 -0.44 0.00 0.00 -1.26 -5.11 121.76 110.53 2xdi s ALA 10 Ca 0.00 1.79 0.05 0.00 0.00 0.00 0.00 51.96 53.80 2xdi s ALA 10 Cb 0.00 -2.25 0.17 0.00 0.00 0.00 0.00 23.12 21.04 2xdi s ALA 10 CO 0.00 -1.13 0.45 0.00 0.00 0.00 0.00 175.76 175.08 2xdi s MET 11 N 2.54 0.92 0.00 0.00 0.23 -1.26 -4.94 119.30 116.78 2xdi s MET 11 Ca -0.01 -1.70 0.00 0.00 -1.03 0.00 0.00 55.69 52.95 2xdi s MET 11 Cb -0.06 -0.98 0.00 0.00 -1.53 0.00 0.00 34.83 32.26 2xdi s MET 11 CO -0.15 -1.35 0.00 0.00 -2.03 0.00 0.00 175.02 171.49 2xdi n ALA 12 N 3.02 1.96 0.22 3.16 0.00 -1.26 -4.40 120.51 123.21 2xdi n ALA 12 Ca 0.25 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.85 2xdi n ALA 12 Cb 0.50 0.13 0.68 0.00 0.00 0.00 0.00 19.45 20.76 2xdi n ALA 12 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2xdi h GLU 13 N 0.00 0.00 0.07 0.00 5.08 -2.01 -2.44 114.58 115.28 2xdi h GLU 13 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xdi h GLU 13 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2xdi h GLU 13 CO 0.00 0.00 -0.03 1.96 -1.00 0.00 0.00 179.01 179.94 2xdi h GLN 14 N 0.00 -0.09 0.00 2.33 4.20 -1.98 -3.47 115.11 116.10 2xdi h GLN 14 Ca 0.10 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2xdi h GLN 14 Cb 1.10 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 2xdi h GLN 14 CO -0.00 -0.06 -0.01 -2.13 -0.67 0.00 0.00 178.83 175.96 2xdi n ARG 15 N -2.51 0.00 0.17 1.46 0.00 -0.92 -4.98 116.66 109.88 2xdi n ARG 15 Ca -0.01 -0.05 0.05 0.00 -0.00 0.00 0.00 57.85 57.84 2xdi n ARG 15 Cb 0.04 0.37 0.15 0.00 0.00 0.00 0.00 32.46 33.01 2xdi n ARG 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 2xdi h HIS 16 N 0.00 0.00 0.00 -0.14 2.76 -1.76 -2.98 115.15 113.03 2xdi h HIS 16 Ca -0.03 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2xdi h HIS 16 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2xdi h HIS 16 CO -0.01 0.38 0.00 1.96 -1.30 0.00 0.00 177.93 178.96 2xdi h GLN 17 N 0.00 0.00 0.00 5.26 4.20 -1.89 -1.88 115.11 120.80 2xdi h GLN 17 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2xdi h GLN 17 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2xdi h GLN 17 CO 0.05 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.60 2xdi n GLU 18 N -2.42 0.10 0.04 1.46 1.02 -1.12 -2.41 120.64 117.30 2xdi n GLU 18 Ca 0.02 0.09 -0.20 0.00 -0.02 0.00 0.00 57.16 57.05 2xdi n GLU 18 Cb 0.27 -1.62 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 2xdi h TRP 19 N 0.00 0.50 -0.47 -0.32 2.91 -1.48 -2.50 115.95 114.58 2xdi h TRP 19 Ca 0.00 -0.36 -0.13 0.00 1.13 0.00 0.00 58.89 59.53 2xdi h TRP 19 Cb 0.59 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 2xdi h TRP 19 CO 0.00 1.32 -0.20 -0.07 -1.03 0.00 0.00 178.44 178.46 2xdi h LEU 20 N -0.41 0.99 -1.30 0.65 3.38 -1.63 0.39 115.31 117.37 2xdi h LEU 20 Ca -0.16 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.43 2xdi h LEU 20 Cb 1.62 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.06 2xdi h LEU 20 CO 0.13 1.16 0.47 0.03 0.09 0.00 0.00 178.44 180.32 2xdi h ARG 21 N 0.81 0.94 0.00 1.13 3.08 -1.57 1.42 114.38 120.19 2xdi h ARG 21 Ca 0.11 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 2xdi h ARG 21 Cb 0.78 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 2xdi h ARG 21 CO 0.06 0.62 -0.80 0.35 -1.07 0.00 0.00 179.97 179.14 2xdi h PHE 22 N 0.96 0.00 -0.08 3.04 3.04 -1.05 0.24 116.94 123.11 2xdi h PHE 22 Ca 0.26 0.00 -0.18 0.00 3.98 0.00 0.00 57.97 62.03 2xdi h PHE 22 Cb -0.11 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.41 2xdi h PHE 22 CO 0.00 0.80 -0.66 0.28 -2.02 0.00 0.00 178.31 176.71 2xdi h VAL 23 N 0.00 1.35 0.00 1.41 2.07 0.16 -0.77 116.25 120.46 2xdi h VAL 23 Ca -0.01 -1.97 -0.12 0.00 0.82 0.00 0.00 66.70 65.42 2xdi h VAL 23 Cb 1.60 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.62 2xdi h VAL 23 CO 0.10 0.60 -0.57 0.44 0.02 0.00 0.00 177.57 178.16 2xdi h ASP 24 N 0.19 0.00 -0.03 0.57 3.45 0.18 -0.84 116.42 119.95 2xdi h ASP 24 Ca -0.06 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.37 2xdi h ASP 24 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 2xdi h ASP 24 CO 0.13 0.57 -0.11 0.25 -1.57 0.00 0.00 179.24 178.51 2xdi h LEU 25 N 0.00 0.15 -0.04 1.55 5.85 -0.48 0.13 115.31 122.47 2xdi h LEU 25 Ca -0.01 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.09 2xdi h LEU 25 Cb 1.39 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.37 2xdi h LEU 25 CO 0.07 0.75 0.02 0.25 -0.34 0.00 0.00 178.44 179.20 2xdi h LEU 26 N -0.44 0.06 -0.61 2.25 5.85 -1.17 -0.34 115.31 120.91 2xdi h LEU 26 Ca -0.00 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.70 2xdi h LEU 26 Cb 0.74 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.66 2xdi h LEU 26 CO 0.02 0.18 0.01 0.50 -0.34 0.00 0.00 178.44 178.82 2xdi h LYS 27 N -0.07 0.13 -0.75 1.25 3.64 -1.17 1.25 116.57 120.85 2xdi h LYS 27 Ca 0.01 -0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.50 2xdi h LYS 27 Cb 0.14 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.88 2xdi h LYS 27 CO -0.00 0.08 0.50 -0.97 -2.27 0.00 0.00 179.45 176.79 2xdi h ASN 28 N 0.13 0.53 0.83 4.20 -0.73 -0.22 0.21 115.58 120.53 2xdi h ASN 28 Ca 0.32 0.02 -0.16 0.00 1.87 0.00 0.00 56.30 58.35 2xdi h ASN 28 Cb 0.51 -0.09 -0.02 0.00 0.27 0.00 0.00 38.32 38.99 2xdi h ASN 28 CO -0.51 0.30 -0.74 0.00 -0.37 0.00 0.00 177.43 176.11 2xdi h ALA 29 N 1.63 0.72 0.00 1.57 0.00 0.30 -2.65 119.26 120.82 2xdi h ALA 29 Ca 0.36 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 2xdi h ALA 29 Cb 0.59 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2xdi h ALA 29 CO -0.13 0.93 -0.04 1.88 0.00 0.00 0.00 179.25 181.89 2xdi h TYR 30 N 0.00 0.00 0.16 0.00 0.99 0.31 -1.84 116.97 116.59 2xdi h TYR 30 Ca -0.01 0.00 -0.28 0.00 2.00 0.00 0.00 58.73 60.44 2xdi h TYR 30 Cb 1.36 0.00 0.01 0.00 1.00 0.00 0.00 36.73 39.10 2xdi h TYR 30 CO 0.00 0.04 -1.34 0.37 -0.00 0.00 0.00 178.16 177.22 2xdi h GLN 31 N 0.00 0.34 -0.00 4.88 4.15 -0.80 -3.26 115.11 120.42 2xdi h GLN 31 Ca -0.00 -0.57 0.00 0.00 0.77 0.00 0.00 58.65 58.85 2xdi h GLN 31 Cb 0.86 0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.77 2xdi h GLN 31 CO 0.00 1.27 -0.01 -1.71 -1.93 0.00 0.00 178.83 176.46 2xdi n ASN 32 N -3.88 0.11 -2.70 -0.69 2.85 -1.01 -4.88 115.26 105.05 2xdi n ASN 32 Ca -0.21 -0.82 -0.21 0.00 -0.11 0.00 0.00 54.58 53.23 2xdi n ASN 32 Cb 0.95 -0.07 0.01 0.00 1.24 0.00 0.00 39.78 41.91 2xdi n ASN 32 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 2xdi n ASP 33 N -1.00 -5.87 -0.52 1.20 8.00 -0.82 -4.85 116.55 112.69 2xdi n ASP 33 Ca 0.21 -0.14 0.05 0.00 0.71 0.00 0.00 54.79 55.62 2xdi n ASP 33 Cb 0.16 -4.82 0.11 0.00 -0.02 0.00 0.00 41.12 36.54 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2xdi n LEU 34 N -3.48 2.51 -0.04 0.64 -0.00 -0.75 -4.47 117.00 111.40 2xdi n LEU 34 Ca -0.18 -1.68 0.05 0.00 -0.00 0.00 0.00 56.01 54.21 2xdi n LEU 34 Cb 0.65 -0.14 0.29 0.00 -0.00 0.00 0.00 43.42 44.22 2xdi n LEU 34 CO 0.37 0.59 0.69 0.00 -0.00 0.00 0.00 177.39 179.04 2xdi n HIS 35 N 0.46 0.02 -0.34 1.47 1.44 -1.07 -4.23 115.22 112.96 2xdi n HIS 35 Ca 0.09 -0.01 0.05 0.00 -2.01 0.00 0.00 57.72 55.84 2xdi n HIS 35 Cb 0.36 0.00 0.13 0.00 0.12 0.00 0.00 29.99 30.60 2xdi n HIS 35 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 2xdi h LEU 36 N 0.15 -0.89 -1.03 2.39 3.38 -1.88 0.95 115.31 118.38 2xdi h LEU 36 Ca 0.00 0.29 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 2xdi h LEU 36 Cb 0.03 0.59 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2xdi h LEU 36 CO 0.00 -0.31 -0.33 1.55 0.09 0.00 0.00 178.44 179.43 2xdi h PRO 37 N -0.00 0.27 0.00 1.13 0.13 -1.98 -1.92 132.00 129.64 2xdi h PRO 37 Ca 0.46 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.47 2xdi h PRO 37 Cb 0.69 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2xdi h PRO 37 CO -0.98 0.58 0.00 -0.07 -0.23 0.00 0.00 178.00 177.30 2xdi h LEU 38 N 0.24 0.00 0.23 1.56 4.07 0.32 -0.84 115.31 120.89 2xdi h LEU 38 Ca 0.03 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.66 2xdi h LEU 38 Cb 0.71 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.48 2xdi h LEU 38 CO 0.05 0.00 -1.50 0.25 -1.08 0.00 0.00 178.44 176.16 2xdi h LEU 39 N 0.00 0.76 0.02 1.67 5.85 0.84 -1.19 115.31 123.26 2xdi h LEU 39 Ca 0.00 -0.93 -0.24 0.00 0.84 0.00 0.00 57.88 57.56 2xdi h LEU 39 Cb 0.71 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2xdi h LEU 39 CO 0.00 1.71 -1.19 -1.13 -0.34 0.00 0.00 178.44 177.49 2xdi h ASN 40 N 0.09 0.07 0.39 1.25 -0.73 -1.46 1.80 115.58 116.99 2xdi h ASN 40 Ca -0.27 -0.09 -0.15 0.00 1.87 0.00 0.00 56.30 57.66 2xdi h ASN 40 Cb 2.11 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 40.66 2xdi h ASN 40 CO 0.24 1.07 -0.62 0.25 -0.37 0.00 0.00 177.43 178.00 2xdi h LEU 41 N 0.01 0.26 0.00 0.34 5.85 -1.25 -3.26 115.31 117.26 2xdi h LEU 41 Ca -0.09 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2xdi h LEU 41 Cb 1.85 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.81 2xdi h LEU 41 CO 0.13 0.81 -1.53 0.80 -0.34 0.00 0.00 178.44 178.30 2xdi n MET 42 N -3.86 0.77 -3.79 1.25 1.56 -0.45 -4.96 117.12 107.64 2xdi n MET 42 Ca -0.02 -0.12 -0.14 0.00 -0.27 0.00 0.00 57.70 57.15 2xdi n MET 42 Cb 0.63 -1.37 -0.15 0.00 2.15 0.00 0.00 33.22 34.47 2xdi n MET 42 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2xdi s LEU 43 N -3.84 1.21 0.03 -0.89 1.43 0.61 -4.98 118.68 112.25 2xdi s LEU 43 Ca -0.03 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2xdi s LEU 43 Cb 0.11 0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.35 2xdi s LEU 43 CO 0.69 -0.11 0.00 0.41 0.23 0.00 0.00 176.35 177.57 2xdi n THR 44 N 3.94 0.00 0.00 5.49 -1.04 -1.26 -3.46 114.28 117.96 2xdi n THR 44 Ca -0.24 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2xdi n THR 44 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 2xdi n THR 44 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2xdi n PRO 45 N -2.99 1.18 -0.04 -2.82 -0.04 -1.26 -4.38 135.00 124.66 2xdi n PRO 45 Ca 0.00 0.00 0.21 0.00 -0.04 0.00 0.00 63.50 63.67 2xdi n PRO 45 Cb 0.00 0.00 0.43 0.00 -0.04 0.00 0.00 33.50 33.89 2xdi n PRO 45 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2xdi h ASP 46 N 0.00 0.00 -0.91 3.54 3.58 -2.01 0.54 116.42 121.16 2xdi h ASP 46 Ca 0.00 0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.68 2xdi h ASP 46 Cb 0.00 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 2xdi h ASP 46 CO 0.00 0.00 0.62 -0.33 -2.88 0.00 0.00 179.24 176.65 2xdi h GLU 47 N 0.00 0.26 0.13 0.28 5.08 -1.96 1.49 114.58 119.87 2xdi h GLU 47 Ca 0.33 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.39 2xdi h GLU 47 Cb 2.36 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.56 2xdi h GLU 47 CO -0.00 0.17 -1.32 0.07 -1.00 0.00 0.00 179.01 176.93 2xdi h ARG 48 N 0.27 0.28 -0.41 2.33 0.11 -0.11 -1.88 114.38 114.97 2xdi h ARG 48 Ca 0.47 -0.47 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 2xdi h ARG 48 Cb 1.39 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.63 2xdi h ARG 48 CO -0.13 1.20 -0.18 0.93 0.10 0.00 0.00 179.97 181.89 2xdi h GLU 49 N 0.08 0.84 -0.28 0.08 4.39 0.05 -0.87 114.58 118.87 2xdi h GLU 49 Ca -0.16 -0.36 -0.14 0.00 0.34 0.00 0.00 59.36 59.03 2xdi h GLU 49 Cb 1.99 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.60 2xdi h GLU 49 CO 0.20 0.99 -0.42 0.00 -1.16 0.00 0.00 179.01 178.62 2xdi h ALA 50 N 0.82 0.75 0.15 3.43 0.00 0.17 0.69 119.26 125.27 2xdi h ALA 50 Ca 0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2xdi h ALA 50 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2xdi h ALA 50 CO 0.06 0.66 -0.07 1.25 0.00 0.00 0.00 179.25 181.15 2xdi h LEU 51 N 0.55 -0.17 -2.00 0.00 7.12 -1.17 -0.66 115.31 118.99 2xdi h LEU 51 Ca 0.04 0.01 0.31 0.00 0.13 0.00 0.00 57.88 58.37 2xdi h LEU 51 Cb 0.95 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.08 2xdi h LEU 51 CO 0.09 -0.10 0.78 1.23 -0.13 0.00 0.00 178.44 180.31 2xdi h GLY 52 N -0.24 0.00 0.87 3.75 0.00 -1.24 0.15 103.07 106.37 2xdi h GLY 52 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2xdi h GLY 52 CO 0.03 0.00 -0.11 -0.84 0.00 0.00 0.00 176.54 175.62 2xdi h THR 53 N 0.00 0.81 -0.26 4.70 2.02 -0.44 -2.31 112.91 117.43 2xdi h THR 53 Ca 0.51 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.47 2xdi h THR 53 Cb 2.07 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 69.44 2xdi h THR 53 CO -0.01 0.06 0.18 -0.09 0.37 0.00 0.00 175.52 176.03 2xdi h ARG 54 N -0.45 0.21 0.03 6.66 2.43 0.84 0.90 114.38 125.01 2xdi h ARG 54 Ca -0.03 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2xdi h ARG 54 Cb 0.34 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2xdi h ARG 54 CO 0.05 0.14 -0.10 0.28 -1.51 0.00 0.00 179.97 178.83 2xdi h VAL 55 N 0.22 0.74 -0.01 0.20 2.07 -0.82 -0.73 116.25 117.92 2xdi h VAL 55 Ca 0.11 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.47 2xdi h VAL 55 Cb 0.16 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2xdi h VAL 55 CO -0.02 0.00 -0.70 0.08 0.02 0.00 0.00 177.57 176.95 2xdi h ARG 56 N -0.19 0.08 0.46 1.57 -0.00 -1.07 -2.64 114.38 112.59 2xdi h ARG 56 Ca 0.03 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.98 59.92 2xdi h ARG 56 Cb 0.23 0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.21 2xdi h ARG 56 CO -0.08 0.75 -0.29 0.82 -0.00 0.00 0.00 179.97 181.17 2xdi h ILE 57 N 0.05 0.00 -0.76 0.08 1.08 -0.26 0.88 117.51 118.57 2xdi h ILE 57 Ca -0.01 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.56 2xdi h ILE 57 Cb 1.25 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.92 2xdi h ILE 57 CO 0.10 0.00 0.40 -0.37 -0.69 0.00 0.00 178.15 177.59 2xdi h VAL 58 N -0.71 0.85 0.71 1.67 -1.51 -1.24 1.52 116.25 117.55 2xdi h VAL 58 Ca -0.06 -0.23 -0.03 0.00 -1.23 0.00 0.00 66.70 65.15 2xdi h VAL 58 Cb 0.57 0.13 0.01 0.00 -2.13 0.00 0.00 31.29 29.87 2xdi h VAL 58 CO 0.06 0.12 -0.34 -0.08 -1.23 0.00 0.00 177.57 176.10 2xdi h GLU 59 N 0.66 -0.91 -0.17 5.19 4.81 -1.19 -2.38 114.58 120.60 2xdi h GLU 59 Ca 0.38 0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.62 2xdi h GLU 59 Cb 0.40 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2xdi h GLU 59 CO -0.27 -0.60 -0.13 1.49 -0.73 0.00 0.00 179.01 178.76 2xdi h GLU 60 N -0.97 0.27 -0.38 1.92 4.81 0.13 -1.28 114.58 119.07 2xdi h GLU 60 Ca -0.10 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2xdi h GLU 60 Cb 0.73 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.00 2xdi h GLU 60 CO 0.16 0.41 -0.15 1.25 -0.73 0.00 0.00 179.01 179.95 2xdi h LEU 61 N 0.25 -0.51 -0.79 1.64 5.85 0.26 2.24 115.31 124.24 2xdi h LEU 61 Ca 0.05 0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.79 2xdi h LEU 61 Cb 0.39 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 2xdi h LEU 61 CO 0.02 -0.18 -0.52 0.25 -0.34 0.00 0.00 178.44 177.67 2xdi h LEU 62 N -0.07 0.00 -0.52 2.25 5.85 -1.10 -2.69 115.31 119.02 2xdi h LEU 62 Ca 0.19 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2xdi h LEU 62 Cb 0.36 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 2xdi h LEU 62 CO -0.43 0.52 -0.11 -0.09 -0.34 0.00 0.00 178.44 178.00 2xdi h ARG 63 N 0.00 0.00 -4.94 1.25 2.43 0.63 -3.47 114.38 110.28 2xdi h ARG 63 Ca -0.01 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.89 2xdi h ARG 63 Cb 1.04 0.00 0.13 0.00 -0.42 0.00 0.00 29.97 30.73 2xdi h ARG 63 CO 0.07 0.11 -0.61 0.41 -1.51 0.00 0.00 179.97 178.43 2xdi n GLY 64 N 0.72 -0.21 0.15 2.80 0.00 0.72 -4.92 105.19 104.45 2xdi n GLY 64 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2xdi n GLY 64 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2xdi n GLU 65 N -3.62 0.64 -1.39 1.61 4.07 -1.15 -4.84 120.64 115.95 2xdi n GLU 65 Ca -0.20 -1.02 -0.25 0.00 -0.06 0.00 0.00 57.16 55.63 2xdi n GLU 65 Cb 0.62 -0.69 -0.08 0.00 -0.06 0.00 0.00 31.44 31.23 2xdi n GLU 65 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2xdi n MET 66 N -0.23 2.66 -2.08 5.31 0.00 -1.26 -4.68 117.12 116.84 2xdi n MET 66 Ca 0.02 -2.07 -0.13 0.00 0.00 0.00 0.00 57.70 55.52 2xdi n MET 66 Cb 0.53 -2.21 -0.02 0.00 0.00 0.00 0.00 33.22 31.51 2xdi n MET 66 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 2xdi n SER 67 N 1.68 -3.82 -0.39 3.17 7.64 -1.26 -4.75 113.62 115.88 2xdi n SER 67 Ca 0.51 0.23 0.39 0.00 1.01 0.00 0.00 58.87 61.01 2xdi n SER 67 Cb 0.60 -3.35 0.74 0.00 -1.01 0.00 0.00 64.21 61.20 2xdi n SER 67 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2xdi h GLN 68 N 0.00 0.00 -0.10 1.43 -0.00 -1.88 0.80 115.11 115.36 2xdi h GLN 68 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 2xdi h GLN 68 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.58 2xdi h GLN 68 CO 0.37 0.00 0.00 0.54 0.00 0.00 0.00 178.83 179.74 2xdi n ARG 69 N -3.98 2.24 0.00 1.69 1.74 -1.26 -4.56 116.66 112.52 2xdi n ARG 69 Ca 0.29 -1.50 0.00 0.00 -0.77 0.00 0.00 57.85 55.87 2xdi n ARG 69 Cb 1.45 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.80 2xdi n ARG 69 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2xdi n GLU 70 N -0.05 0.42 -0.06 5.56 2.13 0.25 -4.66 120.64 124.23 2xdi n GLU 70 Ca 0.04 -0.36 0.06 0.00 0.66 0.00 0.00 57.16 57.56 2xdi n GLU 70 Cb 0.27 -0.85 0.09 0.00 0.27 0.00 0.00 31.44 31.22 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2xdi n LEU 71 N -0.16 2.13 0.01 4.31 4.77 0.68 -4.62 117.00 124.11 2xdi n LEU 71 Ca 0.00 -2.64 0.11 0.00 -0.03 0.00 0.00 56.01 53.45 2xdi n LEU 71 Cb 0.02 -0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 2xdi n LEU 71 CO 0.00 0.62 -0.37 2.29 -1.33 0.00 0.00 177.39 178.60 2xdi n LYS 72 N -1.08 0.45 -0.07 3.23 2.85 -1.26 0.94 118.16 123.21 2xdi n LYS 72 Ca 0.10 -0.08 -0.08 0.00 -1.05 0.00 0.00 58.31 57.20 2xdi n LYS 72 Cb 0.52 -1.56 -0.02 0.00 -0.65 0.00 0.00 35.03 33.32 2xdi n LYS 72 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2xdi h ASN 73 N 0.00 -0.88 -0.46 -5.58 4.21 -1.90 0.92 115.58 111.88 2xdi h ASN 73 Ca 0.00 0.16 -0.11 0.00 1.21 0.00 0.00 56.30 57.56 2xdi h ASN 73 Cb 0.84 0.42 -0.07 0.00 -1.12 0.00 0.00 38.32 38.40 2xdi h ASN 73 CO 0.00 -0.30 0.14 -0.62 -1.29 0.00 0.00 177.43 175.36 2xdi n GLU 74 N -5.40 2.93 -3.95 0.81 -0.58 -1.26 -4.87 120.64 108.32 2xdi n GLU 74 Ca -0.00 -1.98 -0.28 0.00 -0.42 0.00 0.00 57.16 54.48 2xdi n GLU 74 Cb 0.31 -1.91 -0.00 0.00 -0.57 0.00 0.00 31.44 29.27 2xdi n GLU 74 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2xdi n PHE 75 N 0.08 -1.85 -0.84 -0.32 3.01 0.32 -4.85 117.46 113.01 2xdi n PHE 75 Ca 0.25 0.81 0.08 0.00 1.01 0.00 0.00 57.45 59.59 2xdi n PHE 75 Cb 0.99 -3.75 0.21 0.00 -0.01 0.00 0.00 39.48 36.92 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2xdi n GLY 76 N -1.73 3.95 3.45 1.37 0.00 0.27 -4.52 105.19 107.99 2xdi n GLY 76 Ca -0.16 -0.92 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 2xdi n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdi s ALA 77 N -2.49 3.41 -1.82 4.61 0.00 0.21 -4.31 121.76 121.37 2xdi s ALA 77 Ca 0.36 -2.81 0.00 0.00 0.00 0.00 0.00 51.96 49.51 2xdi s ALA 77 Cb 0.28 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.33 2xdi s ALA 77 CO 0.08 -2.98 0.00 0.41 0.00 0.00 0.00 175.76 173.27 2xdi n GLY 78 N 5.41 1.63 0.44 0.00 0.00 -1.26 -4.77 105.19 106.64 2xdi n GLY 78 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 2xdi n GLY 78 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2xdi n ILE 79 N -2.14 0.19 0.00 -0.61 2.08 -1.26 -2.46 119.36 115.15 2xdi n ILE 79 Ca -0.17 -0.28 0.00 0.00 0.56 0.00 0.00 62.75 62.86 2xdi n ILE 79 Cb 0.57 0.22 0.00 0.00 -0.75 0.00 0.00 39.64 39.68 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2xdi n ALA 80 N 0.10 1.76 -0.00 -1.39 0.00 -1.26 -4.72 120.51 115.00 2xdi n ALA 80 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 2xdi n ALA 80 Cb 0.27 0.21 -0.00 0.00 0.00 0.00 0.00 19.45 19.92 2xdi n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2xdi n THR 81 N -1.68 0.01 -0.28 0.00 -2.24 -1.26 -3.85 114.28 104.99 2xdi n THR 81 Ca 0.00 0.42 0.34 0.00 -2.27 0.00 0.00 64.05 62.53 2xdi n THR 81 Cb 0.35 -1.42 0.71 0.00 -2.10 0.00 0.00 70.33 67.87 2xdi n THR 81 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2xdi h ILE 82 N -0.00 0.30 -0.62 2.28 2.04 -1.91 1.99 117.51 121.58 2xdi h ILE 82 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2xdi h ILE 82 Cb 0.00 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2xdi h ILE 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 178.15 178.56 2xdi n THR 83 N -3.93 1.66 0.00 -0.27 -1.04 -1.03 -4.74 114.28 104.92 2xdi n THR 83 Ca 0.24 -1.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.16 2xdi n THR 83 Cb 1.26 0.13 0.00 0.00 -1.82 0.00 0.00 70.33 69.90 2xdi n THR 83 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2xdi n ARG 84 N 1.11 0.00 -2.52 -2.82 3.00 0.68 -4.43 116.66 111.68 2xdi n ARG 84 Ca 0.24 0.00 -0.41 0.00 -0.00 0.00 0.00 57.85 57.69 2xdi n ARG 84 Cb 0.83 -0.19 -0.03 0.00 0.00 0.00 0.00 32.46 33.07 2xdi n ARG 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2xdi s GLY 85 N 0.00 0.87 0.59 5.14 0.00 -1.26 -4.83 107.32 107.83 2xdi s GLY 85 Ca 0.00 -1.41 0.29 0.00 0.00 0.00 0.00 44.72 43.60 2xdi s GLY 85 CO 0.00 2.71 2.01 1.48 0.00 0.00 0.00 173.10 179.29 2xdi h SER 86 N 10.31 0.00 -1.92 1.64 4.64 -1.90 -3.42 113.55 122.89 2xdi h SER 86 Ca -0.23 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.44 2xdi h SER 86 Cb 1.05 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.23 2xdi h SER 86 CO 1.29 0.00 0.13 0.59 -0.87 0.00 0.00 176.83 177.97 2xdi n ASN 87 N -3.73 0.97 0.00 4.97 4.13 -1.26 -4.90 115.26 115.43 2xdi n ASN 87 Ca 0.04 1.15 0.00 0.00 1.68 0.00 0.00 54.58 57.45 2xdi n ASN 87 Cb 0.47 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.52 2xdi n ASN 87 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2xdi n SER 88 N 1.79 0.00 0.00 6.41 2.88 -1.26 -4.73 113.62 118.71 2xdi n SER 88 Ca 0.14 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.76 2xdi n SER 88 Cb 0.26 0.00 0.44 0.00 -0.75 0.00 0.00 64.21 64.16 2xdi n SER 88 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2xdi n LEU 89 N -2.21 0.00 -0.02 2.46 4.32 -1.26 -1.80 117.00 118.49 2xdi n LEU 89 Ca 0.00 0.18 0.15 0.00 -0.02 0.00 0.00 56.01 56.31 2xdi n LEU 89 Cb 0.00 -0.18 0.73 0.00 -1.62 0.00 0.00 43.42 42.36 2xdi n LEU 89 CO 0.00 -0.08 1.00 1.17 -1.22 0.00 0.00 177.39 178.25 2xdi n LYS 90 N -1.18 0.46 0.00 3.23 3.00 -1.26 -3.56 118.16 118.85 2xdi n LYS 90 Ca 0.10 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2xdi n LYS 90 Cb 0.10 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.63 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2xdi n ALA 91 N -1.25 1.29 -2.88 3.14 0.00 -0.75 -5.06 120.51 115.00 2xdi n ALA 91 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.55 2xdi n ALA 91 Cb 0.25 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.71 2xdi n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 92 N -0.67 -2.32 -0.08 0.00 0.00 -1.11 -4.89 120.51 111.45 2xdi n ALA 92 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.34 2xdi n ALA 92 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 19.45 17.06 2xdi n ALA 92 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2xdi h PRO 93 N 0.03 0.57 -1.00 0.00 0.13 -1.92 -1.91 132.00 127.91 2xdi h PRO 93 Ca -0.14 -0.31 0.29 0.00 -0.87 0.00 0.00 66.00 64.97 2xdi h PRO 93 Cb 1.07 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 2xdi h PRO 93 CO 0.29 0.90 0.86 -0.39 -0.23 0.00 0.00 178.00 179.43 2xdi h VAL 94 N 0.26 0.28 -0.07 1.56 -1.51 -1.92 2.00 116.25 116.86 2xdi h VAL 94 Ca 0.03 0.00 -0.23 0.00 -1.23 0.00 0.00 66.70 65.27 2xdi h VAL 94 Cb 0.81 0.36 0.01 0.00 -2.13 0.00 0.00 31.29 30.34 2xdi h VAL 94 CO 0.06 0.00 -0.89 -0.08 -1.23 0.00 0.00 177.57 175.43 2xdi h GLU 95 N 0.00 0.65 -0.10 5.19 4.57 -1.70 -2.21 114.58 120.98 2xdi h GLU 95 Ca 0.47 -0.61 -0.04 0.00 -1.18 0.00 0.00 59.36 58.01 2xdi h GLU 95 Cb 2.18 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 30.92 2xdi h GLU 95 CO -0.00 1.22 -0.08 1.25 -1.18 0.00 0.00 179.01 180.22 2xdi h LEU 96 N 0.41 0.24 -2.14 1.64 6.46 0.32 -2.48 115.31 119.76 2xdi h LEU 96 Ca -0.08 -0.46 -0.01 0.00 -0.12 0.00 0.00 57.88 57.22 2xdi h LEU 96 Cb 1.52 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 41.38 2xdi h LEU 96 CO 0.17 0.65 -0.04 -0.09 -0.62 0.00 0.00 178.44 178.51 2xdi h ARG 97 N -0.16 0.00 -0.29 1.25 1.12 -0.81 -1.26 114.38 114.22 2xdi h ARG 97 Ca 0.02 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.72 2xdi h ARG 97 Cb 0.57 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.52 2xdi h ARG 97 CO 0.02 0.04 -0.47 1.96 -3.11 0.00 0.00 179.97 178.40 2xdi h GLN 98 N 0.00 0.78 -0.24 0.20 1.08 -1.12 -1.19 115.11 114.62 2xdi h GLN 98 Ca -0.00 -0.45 -0.03 0.00 -1.45 0.00 0.00 58.65 56.72 2xdi h GLN 98 Cb 0.08 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2xdi h GLN 98 CO 0.00 1.08 0.05 2.35 -0.95 0.00 0.00 178.83 181.37 2xdi h TRP 99 N 0.62 0.42 -0.81 2.96 -0.00 -0.79 -1.95 115.95 116.39 2xdi h TRP 99 Ca 0.03 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.89 58.84 2xdi h TRP 99 Cb 1.05 -0.12 -0.04 0.00 -0.00 0.00 0.00 29.16 30.06 2xdi h TRP 99 CO 0.06 0.50 0.37 -0.07 -0.00 0.00 0.00 178.44 179.30 2xdi h LEU 100 N 0.22 1.08 -0.54 0.65 3.38 -1.43 -2.37 115.31 116.29 2xdi h LEU 100 Ca 0.08 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2xdi h LEU 100 Cb 0.29 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.67 2xdi h LEU 100 CO 0.00 0.93 0.01 -0.08 0.09 0.00 0.00 178.44 179.39 2xdi h GLU 101 N 1.17 0.12 -0.34 1.13 4.81 -0.80 1.54 114.58 122.21 2xdi h GLU 101 Ca 0.28 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2xdi h GLU 101 Cb 0.15 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2xdi h GLU 101 CO -0.03 0.08 0.17 0.93 -0.73 0.00 0.00 179.01 179.43 2xdi h GLU 102 N 0.13 0.34 0.00 1.92 5.08 -0.86 2.46 114.58 123.65 2xdi h GLU 102 Ca 0.28 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2xdi h GLU 102 Cb 0.43 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2xdi h GLU 102 CO -0.45 0.22 0.00 0.28 -1.00 0.00 0.00 179.01 178.06 2xdi n VAL 103 N -4.95 0.74 -0.04 3.13 0.31 -0.19 -0.92 118.33 116.42 2xdi n VAL 103 Ca 0.00 0.09 -0.19 0.00 -0.01 0.00 0.00 64.34 64.23 2xdi n VAL 103 Cb 0.08 -0.96 -0.13 0.00 -0.91 0.00 0.00 33.84 31.92 2xdi n VAL 103 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2xdi n LEU 104 N -2.14 2.50 -1.17 7.52 7.99 0.51 -4.00 117.00 128.22 2xdi n LEU 104 Ca 0.03 0.11 0.06 0.00 -0.01 0.00 0.00 56.01 56.21 2xdi n LEU 104 Cb 0.28 -0.89 0.24 0.00 -0.11 0.00 0.00 43.42 42.94 2xdi n LEU 104 CO 0.22 0.83 0.67 0.00 -1.51 0.00 0.00 177.39 177.61 2xdi n LEU 105 N -3.35 3.39 -4.66 2.23 -0.00 0.80 -4.95 117.00 110.46 2xdi n LEU 105 Ca -0.35 -1.71 -0.58 0.00 -0.00 0.00 0.00 56.01 53.37 2xdi n LEU 105 Cb 1.04 -0.48 -0.07 0.00 -0.00 0.00 0.00 43.42 43.91 2xdi n LEU 105 CO 0.38 0.58 1.09 2.29 -0.00 0.00 0.00 177.39 181.73 2xdi n LYS 106 N 0.68 0.82 -0.05 1.47 2.85 -0.10 -4.83 118.16 119.00 2xdi n LYS 106 Ca 0.17 0.30 -0.06 0.00 -1.05 0.00 0.00 58.31 57.68 2xdi n LYS 106 Cb 0.65 -1.92 -0.07 0.00 -0.65 0.00 0.00 35.03 33.04 2xdi n LYS 106 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2xdi n SER 107 N 3.91 2.74 0.00 -5.58 2.88 -1.26 -5.08 113.62 111.22 2xdi n SER 107 Ca 0.24 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2xdi n SER 107 Cb 0.11 0.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 2xdi n SER 107 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14