#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi n SER 5 N 0.00 -1.45 -3.25 2.61 3.41 -1.26 -5.02 113.62 108.66 2xdi n SER 5 Ca 0.00 -2.94 -0.26 0.00 -0.26 0.00 0.00 58.87 55.41 2xdi n SER 5 Cb 0.00 0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 2xdi n SER 5 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2xdi n PRO 6 N 1.74 2.16 -2.72 4.33 -0.04 -1.26 -4.22 135.00 135.00 2xdi n PRO 6 Ca 0.16 -1.58 -0.08 0.00 -0.04 0.00 0.00 63.50 61.97 2xdi n PRO 6 Cb 0.57 -2.55 0.09 0.00 -0.04 0.00 0.00 33.50 31.57 2xdi n PRO 6 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2xdi n TYR 7 N 4.57 -2.38 0.00 0.54 9.36 -1.26 -5.06 117.16 122.94 2xdi n TYR 7 Ca 0.48 -1.75 0.00 0.00 3.32 0.00 0.00 57.90 59.95 2xdi n TYR 7 Cb 0.17 1.52 0.00 0.00 -0.63 0.00 0.00 39.34 40.40 2xdi n TYR 7 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2xdi n SER 8 N 0.61 0.00 -3.92 2.98 7.64 -1.26 -4.52 113.62 115.15 2xdi n SER 8 Ca 0.04 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.73 2xdi n SER 8 Cb 0.70 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.89 2xdi n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xdi n ALA 9 N 4.57 0.51 -3.49 -0.43 0.00 -1.26 -5.08 120.51 115.32 2xdi n ALA 9 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 53.44 51.81 2xdi n ALA 9 Cb 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 19.45 20.13 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 -2.56 -0.31 -0.33 0.00 0.00 -1.26 -4.94 121.76 112.37 2xdi s ALA 10 Ca 0.16 -0.94 -0.08 0.00 0.00 0.00 0.00 51.96 51.10 2xdi s ALA 10 Cb -0.01 0.86 0.20 0.00 0.00 0.00 0.00 23.12 24.17 2xdi s ALA 10 CO 0.10 -0.92 1.07 1.41 0.00 0.00 0.00 175.76 177.42 2xdi s MET 11 N -2.82 0.20 -0.72 0.00 0.00 -1.26 -5.02 119.30 109.67 2xdi s MET 11 Ca 0.20 -0.14 -0.02 0.00 0.00 0.00 0.00 55.69 55.74 2xdi s MET 11 Cb -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 34.83 34.78 2xdi s MET 11 CO 0.13 -0.26 0.67 0.00 0.00 0.00 0.00 175.02 175.56 2xdi n ALA 12 N 3.14 -2.33 -0.35 4.11 0.00 -1.26 -4.87 120.51 118.94 2xdi n ALA 12 Ca 0.09 0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 2xdi n ALA 12 Cb 0.64 -2.43 0.06 0.00 0.00 0.00 0.00 19.45 17.72 2xdi n ALA 12 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2xdi n GLU 13 N -2.06 1.61 0.00 0.00 2.13 -1.26 -4.06 120.64 117.00 2xdi n GLU 13 Ca -0.02 -1.32 0.00 0.00 0.66 0.00 0.00 57.16 56.48 2xdi n GLU 13 Cb 0.53 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.72 2xdi n GLU 13 CO 0.00 0.00 0.00 0.94 -0.41 0.00 0.00 177.13 177.66 2xdi n GLN 14 N 0.11 0.00 -4.10 5.31 7.27 -1.26 -5.04 117.38 119.67 2xdi n GLN 14 Ca 0.26 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 57.03 2xdi n GLN 14 Cb 0.80 -0.01 -0.04 0.00 2.41 0.00 0.00 30.24 33.40 2xdi n GLN 14 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2xdi n ARG 15 N -1.32 -2.86 0.27 3.69 1.74 -1.26 -4.79 116.66 112.14 2xdi n ARG 15 Ca 0.00 0.34 0.18 0.00 -0.77 0.00 0.00 57.85 57.60 2xdi n ARG 15 Cb 0.00 -4.57 0.78 0.00 -1.02 0.00 0.00 32.46 27.65 2xdi n ARG 15 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2xdi h HIS 16 N -1.71 0.00 0.04 -1.55 2.76 -1.96 -2.55 115.15 110.19 2xdi h HIS 16 Ca -0.62 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.31 2xdi h HIS 16 Cb 1.38 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.34 2xdi h HIS 16 CO 0.54 0.00 -1.02 1.96 -1.30 0.00 0.00 177.93 178.11 2xdi h GLN 17 N 0.00 0.33 0.00 5.26 4.20 -2.02 -2.86 115.11 120.02 2xdi h GLN 17 Ca 0.00 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2xdi h GLN 17 Cb 0.36 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2xdi h GLN 17 CO 0.00 1.11 0.00 0.39 -0.67 0.00 0.00 178.83 179.66 2xdi n GLU 18 N -3.67 0.05 0.02 1.46 1.02 -0.97 -2.35 120.64 116.21 2xdi n GLU 18 Ca -0.07 0.25 -0.19 0.00 -0.02 0.00 0.00 57.16 57.13 2xdi n GLU 18 Cb 0.89 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 30.62 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 1.00 -0.43 -0.32 2.91 -1.47 -2.73 115.95 114.91 2xdi h TRP 19 Ca 0.00 -0.53 -0.11 0.00 1.13 0.00 0.00 58.89 59.39 2xdi h TRP 19 Cb 0.32 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 28.84 2xdi h TRP 19 CO 0.00 1.36 -0.15 -0.07 -1.03 0.00 0.00 178.44 178.55 2xdi h LEU 20 N 0.36 0.88 -1.11 0.65 3.38 -1.51 0.36 115.31 118.31 2xdi h LEU 20 Ca -0.11 -0.38 0.16 0.00 0.09 0.00 0.00 57.88 57.64 2xdi h LEU 20 Cb 1.60 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 2xdi h LEU 20 CO 0.19 1.06 0.61 0.03 0.09 0.00 0.00 178.44 180.42 2xdi h ARG 21 N 0.69 0.77 0.03 1.13 3.08 -1.49 1.81 114.38 120.40 2xdi h ARG 21 Ca 0.10 -0.05 -0.23 0.00 0.07 0.00 0.00 59.98 59.88 2xdi h ARG 21 Cb 0.70 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 2xdi h ARG 21 CO 0.05 0.51 -0.99 0.35 -1.07 0.00 0.00 179.97 178.82 2xdi h PHE 22 N 0.79 0.44 -0.41 3.04 3.57 -1.13 0.11 116.94 123.35 2xdi h PHE 22 Ca 0.52 -0.26 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 2xdi h PHE 22 Cb 0.76 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 2xdi h PHE 22 CO -0.00 1.11 -0.23 0.28 -2.23 0.00 0.00 178.31 177.24 2xdi h VAL 23 N 0.14 1.28 -0.16 1.41 2.07 0.17 0.31 116.25 121.47 2xdi h VAL 23 Ca -0.08 -1.38 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 2xdi h VAL 23 Cb 1.65 1.28 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2xdi h VAL 23 CO 0.16 0.46 -0.23 -0.78 0.02 0.00 0.00 177.57 177.20 2xdi h ASP 24 N 0.70 0.48 -0.54 0.57 1.82 0.26 0.97 116.42 120.68 2xdi h ASP 24 Ca 0.09 -0.52 -0.01 0.00 -0.39 0.00 0.00 57.03 56.20 2xdi h ASP 24 Cb 0.80 -0.14 -0.03 0.00 0.68 0.00 0.00 39.33 40.65 2xdi h ASP 24 CO 0.07 0.91 0.29 0.25 -1.61 0.00 0.00 179.24 179.14 2xdi h LEU 25 N 0.07 0.68 0.03 2.28 7.12 -0.71 0.62 115.31 125.40 2xdi h LEU 25 Ca 0.02 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 2xdi h LEU 25 Cb 0.80 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2xdi h LEU 25 CO 0.05 0.58 -0.01 0.25 -0.13 0.00 0.00 178.44 179.18 2xdi h LEU 26 N 0.72 -0.03 -0.81 2.25 5.85 -0.27 -0.28 115.31 122.74 2xdi h LEU 26 Ca 0.19 -0.31 0.13 0.00 0.84 0.00 0.00 57.88 58.73 2xdi h LEU 26 Cb 0.06 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.01 2xdi h LEU 26 CO -0.03 0.30 0.40 0.50 -0.34 0.00 0.00 178.44 179.27 2xdi h LYS 27 N -0.37 0.59 0.00 1.25 3.64 0.13 1.19 116.57 123.00 2xdi h LYS 27 Ca -0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2xdi h LYS 27 Cb 0.34 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2xdi h LYS 27 CO 0.01 0.39 -0.11 -0.97 -2.27 0.00 0.00 179.45 176.49 2xdi h ASN 28 N 0.61 0.00 -0.13 4.20 -0.73 0.59 -1.76 115.58 118.35 2xdi h ASN 28 Ca 0.43 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 58.37 2xdi h ASN 28 Cb 0.58 0.00 0.01 0.00 0.27 0.00 0.00 38.32 39.18 2xdi h ASN 28 CO -0.34 0.11 -0.82 0.00 -0.37 0.00 0.00 177.43 176.01 2xdi h ALA 29 N 1.89 0.28 0.00 1.57 0.00 0.31 -2.65 119.26 120.66 2xdi h ALA 29 Ca -0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2xdi h ALA 29 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2xdi h ALA 29 CO 0.01 0.68 0.00 1.88 0.00 0.00 0.00 179.25 181.83 2xdi h TYR 30 N 0.53 0.00 0.17 0.00 -1.99 -0.03 0.74 116.97 116.38 2xdi h TYR 30 Ca -0.06 0.00 -0.33 0.00 2.00 0.00 0.00 58.73 60.34 2xdi h TYR 30 Cb 1.45 0.00 0.01 0.00 2.00 0.00 0.00 36.73 40.19 2xdi h TYR 30 CO 0.09 0.00 -1.62 0.37 -0.00 0.00 0.00 178.16 177.00 2xdi h GLN 31 N 0.00 0.35 0.00 4.88 4.15 -1.14 -3.36 115.11 119.99 2xdi h GLN 31 Ca 0.00 -0.60 -0.10 0.00 0.77 0.00 0.00 58.65 58.72 2xdi h GLN 31 Cb 0.40 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 2xdi h GLN 31 CO 0.00 1.25 -1.70 0.09 -1.93 0.00 0.00 178.83 176.54 2xdi n ASN 32 N -3.55 0.41 -2.61 -0.69 4.13 -1.02 -4.99 115.26 106.94 2xdi n ASN 32 Ca -0.20 0.17 -0.15 0.00 1.68 0.00 0.00 54.58 56.08 2xdi n ASN 32 Cb 1.07 1.03 0.06 0.00 -1.54 0.00 0.00 39.78 40.39 2xdi n ASN 32 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2xdi n ASP 33 N -2.59 -4.16 -0.06 6.41 -0.08 0.26 -4.92 116.55 111.40 2xdi n ASP 33 Ca -0.09 -0.38 0.03 0.00 -1.51 0.00 0.00 54.79 52.84 2xdi n ASP 33 Cb 0.73 -3.58 0.04 0.00 2.34 0.00 0.00 41.12 40.65 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2xdi n LEU 34 N -3.43 1.67 -0.22 -2.67 -0.00 -1.24 -4.66 117.00 106.45 2xdi n LEU 34 Ca -0.05 -1.97 0.03 0.00 -0.00 0.00 0.00 56.01 54.02 2xdi n LEU 34 Cb 0.56 -0.13 0.11 0.00 -0.00 0.00 0.00 43.42 43.96 2xdi n LEU 34 CO 0.43 0.47 0.58 0.00 -0.00 0.00 0.00 177.39 178.88 2xdi n HIS 35 N -0.67 0.15 -0.26 1.47 1.44 -1.26 -4.18 115.22 111.90 2xdi n HIS 35 Ca 0.05 -0.07 0.06 0.00 -2.01 0.00 0.00 57.72 55.74 2xdi n HIS 35 Cb 0.44 0.00 0.19 0.00 0.12 0.00 0.00 29.99 30.74 2xdi n HIS 35 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2xdi h LEU 36 N 0.71 0.32 0.61 2.39 7.12 -1.95 1.00 115.31 125.50 2xdi h LEU 36 Ca 0.00 0.11 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 2xdi h LEU 36 Cb 0.16 0.08 0.01 0.00 -0.53 0.00 0.00 40.66 40.37 2xdi h LEU 36 CO 0.00 0.12 -0.29 1.55 -0.13 0.00 0.00 178.44 179.69 2xdi h PRO 37 N 0.47 -0.79 0.00 5.25 0.13 -1.99 -2.29 132.00 132.77 2xdi h PRO 37 Ca 0.42 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.61 2xdi h PRO 37 Cb 0.64 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2xdi h PRO 37 CO -0.40 -0.53 0.00 1.47 -0.23 0.00 0.00 178.00 178.31 2xdi n LEU 38 N -5.03 0.21 0.09 1.56 -0.00 -1.08 -1.59 117.00 111.16 2xdi n LEU 38 Ca -0.10 0.59 -0.18 0.00 -0.00 0.00 0.00 56.01 56.31 2xdi n LEU 38 Cb 0.32 -0.60 -0.11 0.00 -0.00 0.00 0.00 43.42 43.03 2xdi n LEU 38 CO 0.25 -0.60 -0.01 0.25 -0.00 0.00 0.00 177.39 177.28 2xdi h LEU 39 N 0.00 0.64 0.00 1.47 5.85 0.15 0.88 115.31 124.30 2xdi h LEU 39 Ca 0.00 -0.60 -0.13 0.00 0.84 0.00 0.00 57.88 57.99 2xdi h LEU 39 Cb 0.06 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2xdi h LEU 39 CO 0.00 1.43 -0.74 0.78 -0.34 0.00 0.00 178.44 179.57 2xdi h ASN 40 N 0.19 0.00 0.77 1.25 -0.26 -0.75 1.54 115.58 118.31 2xdi h ASN 40 Ca -0.15 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.35 2xdi h ASN 40 Cb 1.86 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 39.09 2xdi h ASN 40 CO 0.21 0.56 -1.31 -0.07 -1.06 0.00 0.00 177.43 175.77 2xdi h LEU 41 N 0.00 0.02 0.00 1.61 3.38 -1.52 -3.32 115.31 115.48 2xdi h LEU 41 Ca -0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2xdi h LEU 41 Cb 1.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.21 2xdi h LEU 41 CO 0.07 1.03 -1.62 0.80 0.09 0.00 0.00 178.44 178.80 2xdi n MET 42 N -3.24 0.62 -3.91 1.13 1.56 0.30 -4.96 117.12 108.62 2xdi n MET 42 Ca -0.07 -0.08 -0.10 0.00 -0.27 0.00 0.00 57.70 57.17 2xdi n MET 42 Cb 0.99 -1.62 -0.11 0.00 2.15 0.00 0.00 33.22 34.63 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 -4.74 1.88 0.00 -0.89 1.43 0.53 -4.98 118.68 111.91 2xdi s LEU 43 Ca -0.05 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 2xdi s LEU 43 Cb 0.13 0.34 0.00 0.00 0.03 0.00 0.00 46.19 46.69 2xdi s LEU 43 CO 0.87 -0.27 0.00 1.07 0.23 0.00 0.00 176.35 178.25 2xdi n THR 44 N 1.86 0.00 0.00 5.49 5.66 -1.26 -3.76 114.28 122.27 2xdi n THR 44 Ca -0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2xdi n THR 44 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 2xdi n THR 44 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 2xdi n PRO 45 N 0.00 0.00 -0.10 1.09 -0.04 -1.26 -4.82 135.00 129.87 2xdi n PRO 45 Ca 0.00 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 2xdi n PRO 45 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 2xdi n PRO 45 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2xdi n ASP 46 N 0.00 0.43 -0.40 3.54 2.03 -1.26 -3.99 116.55 116.90 2xdi n ASP 46 Ca 0.00 -0.00 0.33 0.00 0.52 0.00 0.00 54.79 55.64 2xdi n ASP 46 Cb 0.00 0.67 0.63 0.00 -0.72 0.00 0.00 41.12 41.70 2xdi n ASP 46 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2xdi h GLU 47 N 0.00 0.16 0.00 -0.67 4.81 -1.96 2.39 114.58 119.32 2xdi h GLU 47 Ca -0.54 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 58.47 2xdi h GLU 47 Cb 2.17 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 31.48 2xdi h GLU 47 CO 0.01 0.11 -1.09 0.00 -0.73 0.00 0.00 179.01 177.31 2xdi h ARG 48 N 0.17 0.00 0.13 1.92 3.08 -1.88 -2.09 114.38 115.72 2xdi h ARG 48 Ca 0.70 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.46 2xdi h ARG 48 Cb 2.24 0.00 0.02 0.00 0.08 0.00 0.00 29.97 32.31 2xdi h ARG 48 CO -0.26 0.80 -1.25 0.93 -1.07 0.00 0.00 179.97 179.12 2xdi h GLU 49 N 0.00 0.49 0.12 0.04 4.39 0.31 -2.50 114.58 117.43 2xdi h GLU 49 Ca -0.07 -0.71 -0.01 0.00 0.34 0.00 0.00 59.36 58.92 2xdi h GLU 49 Cb 1.76 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 30.65 2xdi h GLU 49 CO 0.11 1.32 -0.06 0.00 -1.16 0.00 0.00 179.01 179.22 2xdi h ALA 50 N 0.40 -0.16 0.01 3.43 0.00 0.23 0.21 119.26 123.38 2xdi h ALA 50 Ca -0.17 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.52 2xdi h ALA 50 Cb 1.93 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.73 2xdi h ALA 50 CO 0.23 -0.24 -0.42 -0.07 0.00 0.00 0.00 179.25 178.75 2xdi h LEU 51 N -0.86 -1.27 -1.17 0.00 3.38 -1.51 0.50 115.31 114.39 2xdi h LEU 51 Ca -0.02 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.18 2xdi h LEU 51 Cb 0.55 0.49 -0.06 0.00 0.09 0.00 0.00 40.66 41.73 2xdi h LEU 51 CO 0.03 -0.46 0.58 1.23 0.09 0.00 0.00 178.44 179.91 2xdi h GLY 52 N -0.58 1.30 0.85 0.83 0.00 -1.54 -1.27 103.07 102.67 2xdi h GLY 52 Ca 0.04 -0.40 0.02 0.00 0.00 0.00 0.00 47.33 47.00 2xdi h GLY 52 CO -0.31 0.28 0.18 -0.84 0.00 0.00 0.00 176.54 175.85 2xdi h THR 53 N 0.99 1.00 -0.42 4.70 2.02 0.23 -2.09 112.91 119.34 2xdi h THR 53 Ca 0.39 -0.13 0.08 0.00 0.77 0.00 0.00 66.41 67.52 2xdi h THR 53 Cb 0.24 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.16 2xdi h THR 53 CO -0.15 0.07 0.00 0.03 0.37 0.00 0.00 175.52 175.84 2xdi h ARG 54 N 0.38 0.11 -0.95 6.66 2.47 0.10 0.44 114.38 123.59 2xdi h ARG 54 Ca 0.15 -0.01 0.21 0.00 -1.26 0.00 0.00 59.98 59.07 2xdi h ARG 54 Cb 0.04 -0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 28.26 2xdi h ARG 54 CO -0.09 0.07 0.62 0.28 0.56 0.00 0.00 179.97 181.41 2xdi h VAL 55 N 0.11 0.65 0.10 2.04 2.07 -1.00 0.40 116.25 120.63 2xdi h VAL 55 Ca 0.21 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2xdi h VAL 55 Cb 0.30 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 2xdi h VAL 55 CO -0.35 0.08 -0.05 -0.09 0.02 0.00 0.00 177.57 177.19 2xdi h ARG 56 N 0.46 -0.13 -0.54 1.57 2.43 0.16 -1.07 114.38 117.27 2xdi h ARG 56 Ca 0.51 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.80 2xdi h ARG 56 Cb 1.20 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.69 2xdi h ARG 56 CO -0.23 0.37 0.01 0.82 -1.51 0.00 0.00 179.97 179.43 2xdi h ILE 57 N -0.89 0.58 -0.31 1.20 2.04 0.66 0.78 117.51 121.57 2xdi h ILE 57 Ca -0.01 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 2xdi h ILE 57 Cb 0.55 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 2xdi h ILE 57 CO 0.02 0.02 0.16 0.58 0.00 0.00 0.00 178.15 178.94 2xdi h VAL 58 N 0.13 1.14 0.47 1.67 2.07 -0.31 0.40 116.25 121.82 2xdi h VAL 58 Ca 0.28 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2xdi h VAL 58 Cb 0.43 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2xdi h VAL 58 CO -0.45 0.14 -0.23 -0.08 0.02 0.00 0.00 177.57 176.98 2xdi h GLU 59 N 0.37 -0.61 0.00 1.57 4.81 0.27 -0.93 114.58 120.07 2xdi h GLU 59 Ca 0.11 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2xdi h GLU 59 Cb 0.08 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2xdi h GLU 59 CO -0.02 -0.37 0.00 -1.91 -0.73 0.00 0.00 179.01 175.98 2xdi n GLU 60 N -5.33 0.01 0.08 1.92 4.07 0.26 0.59 120.64 122.24 2xdi n GLU 60 Ca -0.11 0.33 0.01 0.00 -0.06 0.00 0.00 57.16 57.32 2xdi n GLU 60 Cb 0.28 -1.50 -0.04 0.00 -0.06 0.00 0.00 31.44 30.12 2xdi n GLU 60 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2xdi h LEU 61 N 0.00 0.00 -1.44 4.31 5.85 0.11 2.71 115.31 126.85 2xdi h LEU 61 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2xdi h LEU 61 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2xdi h LEU 61 CO 0.00 0.56 -0.12 0.18 -0.34 0.00 0.00 178.44 178.72 2xdi n LEU 62 N -3.06 2.25 -0.71 2.25 4.77 0.11 -4.48 117.00 118.12 2xdi n LEU 62 Ca -0.04 -0.92 -0.01 0.00 -0.03 0.00 0.00 56.01 55.01 2xdi n LEU 62 Cb 0.80 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2xdi n LEU 62 CO 0.42 0.40 0.25 -1.14 -1.33 0.00 0.00 177.39 175.99 2xdi n ARG 63 N 0.65 0.00 -1.29 3.23 0.63 0.20 -4.92 116.66 115.16 2xdi n ARG 63 Ca 0.09 -0.70 -0.01 0.00 -0.92 0.00 0.00 57.85 56.31 2xdi n ARG 63 Cb 0.42 -0.04 -0.02 0.00 0.45 0.00 0.00 32.46 33.27 2xdi n ARG 63 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2xdi n GLY 64 N 0.06 0.78 2.46 5.14 0.00 0.91 -4.73 105.19 109.81 2xdi n GLY 64 Ca -0.04 -0.44 0.01 0.00 0.00 0.00 0.00 46.02 45.55 2xdi n GLY 64 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2xdi n GLU 65 N 0.22 1.28 -0.39 1.61 -0.00 -1.09 -4.75 120.64 117.52 2xdi n GLU 65 Ca -0.11 -3.11 0.35 0.00 -0.00 0.00 0.00 57.16 54.29 2xdi n GLU 65 Cb 0.93 -1.18 0.60 0.00 -0.00 0.00 0.00 31.44 31.79 2xdi n GLU 65 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2xdi n MET 66 N -0.31 -0.04 0.00 3.44 2.81 -1.26 -4.52 117.12 117.24 2xdi n MET 66 Ca 0.07 1.20 0.00 0.00 -1.81 0.00 0.00 57.70 57.16 2xdi n MET 66 Cb 0.90 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2xdi n MET 66 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2xdi n SER 67 N -4.74 0.00 -0.02 7.83 2.88 -1.26 -4.94 113.62 113.37 2xdi n SER 67 Ca 0.37 0.00 0.23 0.00 -1.33 0.00 0.00 58.87 58.14 2xdi n SER 67 Cb 1.36 0.00 0.72 0.00 -0.75 0.00 0.00 64.21 65.55 2xdi n SER 67 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2xdi h GLN 68 N 0.00 0.00 -0.63 -1.46 4.20 -1.94 0.49 115.11 115.76 2xdi h GLN 68 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2xdi h GLN 68 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2xdi h GLN 68 CO 0.00 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.70 2xdi n ARG 69 N -4.04 2.11 0.00 1.46 1.74 -1.26 -3.63 116.66 113.04 2xdi n ARG 69 Ca 0.12 -1.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.13 2xdi n ARG 69 Cb 0.74 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.62 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 0.25 0.00 -2.00 5.56 2.13 0.17 -4.71 120.64 122.04 2xdi n GLU 70 Ca 0.10 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.61 2xdi n GLU 70 Cb 0.45 -0.85 0.03 0.00 0.27 0.00 0.00 31.44 31.35 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 -2.26 5.97 -0.40 4.31 4.32 -1.02 -4.33 117.00 123.58 2xdi n LEU 71 Ca 0.00 -4.82 0.05 0.00 -0.02 0.00 0.00 56.01 51.22 2xdi n LEU 71 Cb 0.37 -0.66 0.04 0.00 -1.62 0.00 0.00 43.42 41.55 2xdi n LEU 71 CO 0.00 1.95 0.41 0.29 -1.22 0.00 0.00 177.39 178.81 2xdi n LYS 72 N -0.65 0.42 0.21 3.23 4.76 -1.24 -4.51 118.16 120.39 2xdi n LYS 72 Ca 0.48 -1.10 0.06 0.00 -2.87 0.00 0.00 58.31 54.89 2xdi n LYS 72 Cb 0.66 -1.19 0.48 0.00 -1.84 0.00 0.00 35.03 33.14 2xdi n LYS 72 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 2xdi h ASN 73 N 1.98 0.00 0.69 4.39 -1.24 -1.80 1.21 115.58 120.81 2xdi h ASN 73 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2xdi h ASN 73 Cb 0.42 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.47 2xdi h ASN 73 CO 0.00 0.27 0.00 1.21 -1.29 0.00 0.00 177.43 177.62 2xdi n GLU 74 N -3.96 0.18 -0.00 6.67 2.13 -1.26 -2.24 120.64 122.16 2xdi n GLU 74 Ca -0.02 0.42 0.03 0.00 0.66 0.00 0.00 57.16 58.25 2xdi n GLU 74 Cb 0.34 -1.86 -0.04 0.00 0.27 0.00 0.00 31.44 30.16 2xdi n GLU 74 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2xdi n PHE 75 N -2.20 0.00 0.00 4.31 -0.00 -0.12 -5.00 117.46 114.45 2xdi n PHE 75 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 2xdi n PHE 75 Cb 0.22 -0.09 0.00 0.00 -0.00 0.00 0.00 39.48 39.61 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2xdi n GLY 76 N 1.88 1.56 0.00 7.13 0.00 0.40 -5.12 105.19 111.03 2xdi n GLY 76 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2xdi n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xdi n ALA 77 N -3.00 0.00 0.00 4.61 0.00 -1.23 -4.89 120.51 116.01 2xdi n ALA 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2xdi n ALA 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2xdi n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xdi n GLY 78 N 0.00 1.19 1.05 0.00 0.00 -1.26 -4.97 105.19 101.20 2xdi n GLY 78 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.55 0.23 0.00 -0.61 2.08 -1.26 -4.45 119.36 114.80 2xdi n ILE 79 Ca 0.00 -0.62 0.00 0.00 0.56 0.00 0.00 62.75 62.69 2xdi n ILE 79 Cb 0.00 1.27 0.00 0.00 -0.75 0.00 0.00 39.64 40.16 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 1.42 1.91 -0.47 -1.39 0.00 -1.26 -4.45 120.51 116.28 2xdi n ALA 80 Ca 0.16 0.00 0.40 0.00 0.00 0.00 0.00 53.44 54.00 2xdi n ALA 80 Cb 0.60 0.30 0.72 0.00 0.00 0.00 0.00 19.45 21.07 2xdi n ALA 80 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2xdi h THR 81 N 0.00 0.23 -0.69 0.00 2.02 -1.93 1.46 112.91 114.00 2xdi h THR 81 Ca 0.00 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.10 2xdi h THR 81 Cb 0.69 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2xdi h THR 81 CO 0.00 0.01 0.19 0.40 0.37 0.00 0.00 175.52 176.50 2xdi h ILE 82 N 0.07 1.25 -0.49 3.11 5.03 -1.84 -3.20 117.51 121.45 2xdi h ILE 82 Ca 0.75 -0.90 -0.36 0.00 -0.12 0.00 0.00 64.86 64.23 2xdi h ILE 82 Cb 2.70 0.52 -0.34 0.00 -3.03 0.00 0.00 36.82 36.67 2xdi h ILE 82 CO -0.15 0.35 -0.83 0.41 -0.68 0.00 0.00 178.15 177.25 2xdi n THR 83 N -4.25 2.05 -1.23 -0.27 -1.04 0.44 -5.07 114.28 104.92 2xdi n THR 83 Ca 0.05 -3.56 -0.11 0.00 -2.04 0.00 0.00 64.05 58.40 2xdi n THR 83 Cb 0.24 -0.35 0.08 0.00 -1.82 0.00 0.00 70.33 68.48 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 -0.69 -0.74 -2.54 -2.82 0.63 0.21 -4.93 116.66 105.79 2xdi n ARG 84 Ca 0.29 -0.75 -0.42 0.00 -0.92 0.00 0.00 57.85 56.06 2xdi n ARG 84 Cb 0.89 -0.53 -0.03 0.00 0.45 0.00 0.00 32.46 33.25 2xdi n ARG 84 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 2xdi s GLY 85 N -3.93 0.99 0.32 5.14 0.00 -1.26 -5.00 107.32 103.58 2xdi s GLY 85 Ca 0.28 -1.02 0.07 0.00 0.00 0.00 0.00 44.72 44.05 2xdi s GLY 85 CO 0.20 2.61 0.37 -0.45 0.00 0.00 0.00 173.10 175.82 2xdi s SER 86 N 3.50 5.72 -0.02 1.64 0.15 -1.26 -5.02 113.70 118.41 2xdi s SER 86 Ca 0.41 -0.28 -0.38 0.00 0.70 0.00 0.00 55.95 56.41 2xdi s SER 86 Cb -0.08 -1.22 -0.17 0.00 -1.71 0.00 0.00 66.02 62.84 2xdi s SER 86 CO 0.21 -0.32 1.41 0.59 1.20 0.00 0.00 173.24 176.33 2xdi n ASN 87 N -1.47 1.65 0.14 5.45 5.03 -1.26 -4.84 115.26 119.96 2xdi n ASN 87 Ca -0.02 1.11 0.12 0.00 0.87 0.00 0.00 54.58 56.66 2xdi n ASN 87 Cb 0.59 -1.15 0.05 0.00 -1.02 0.00 0.00 39.78 38.25 2xdi n ASN 87 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 2xdi h SER 88 N 5.02 0.00 0.00 6.41 0.87 -1.95 -3.33 113.55 120.56 2xdi h SER 88 Ca -0.48 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 2xdi h SER 88 Cb 1.34 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 2xdi h SER 88 CO 0.81 0.00 -0.71 0.00 -0.53 0.00 0.00 176.83 176.40 2xdi n LEU 89 N -2.80 0.00 0.10 2.23 -0.00 -1.26 -3.50 117.00 111.76 2xdi n LEU 89 Ca 0.01 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.14 2xdi n LEU 89 Cb 0.54 0.00 0.45 0.00 -0.00 0.00 0.00 43.42 44.42 2xdi n LEU 89 CO 0.38 0.00 0.86 1.17 -0.00 0.00 0.00 177.39 179.80 2xdi n LYS 90 N -1.34 0.18 0.00 1.47 0.00 -1.26 -3.30 118.16 113.91 2xdi n LYS 90 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 58.31 58.61 2xdi n LYS 90 Cb 0.19 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.45 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 -1.72 0.92 -3.55 3.14 0.00 -1.25 -5.04 120.51 113.00 2xdi n ALA 91 Ca 0.04 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.99 2xdi n ALA 91 Cb 0.30 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.15 -2.40 -0.04 0.00 0.00 -1.21 -4.66 120.51 112.06 2xdi n ALA 92 Ca 0.00 0.24 -0.15 0.00 0.00 0.00 0.00 53.44 53.53 2xdi n ALA 92 Cb 0.10 -1.98 -0.09 0.00 0.00 0.00 0.00 19.45 17.48 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 1.65 0.42 -0.10 0.00 0.13 -1.77 -0.78 132.00 131.54 2xdi h PRO 93 Ca -0.57 -0.32 0.03 0.00 -0.87 0.00 0.00 66.00 64.27 2xdi h PRO 93 Cb 1.40 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.59 2xdi h PRO 93 CO 0.26 0.95 0.29 0.28 -0.23 0.00 0.00 178.00 179.54 2xdi h VAL 94 N -0.03 0.14 0.04 1.56 2.07 -1.89 1.15 116.25 119.29 2xdi h VAL 94 Ca -0.02 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.22 2xdi h VAL 94 Cb 1.00 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 2xdi h VAL 94 CO 0.08 0.00 -1.56 -0.08 0.02 0.00 0.00 177.57 176.03 2xdi h GLU 95 N 0.00 0.08 -0.02 1.57 4.57 -1.74 -3.01 114.58 116.03 2xdi h GLU 95 Ca 0.05 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2xdi h GLU 95 Cb 0.62 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2xdi h GLU 95 CO -0.00 0.81 -0.03 1.25 -1.18 0.00 0.00 179.01 179.86 2xdi h LEU 96 N 0.02 0.07 -1.44 1.64 5.85 0.25 -2.12 115.31 119.57 2xdi h LEU 96 Ca -0.23 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 57.95 2xdi h LEU 96 Cb 1.97 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.98 2xdi h LEU 96 CO 0.11 0.59 0.00 -0.09 -0.34 0.00 0.00 178.44 178.71 2xdi h ARG 97 N -0.45 0.00 0.04 1.25 2.43 0.02 -1.45 114.38 116.22 2xdi h ARG 97 Ca 0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.92 2xdi h ARG 97 Cb 0.57 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 2xdi h ARG 97 CO 0.01 0.00 -1.31 -0.56 -1.51 0.00 0.00 179.97 176.60 2xdi h GLN 98 N 0.00 0.08 -0.51 0.20 3.07 -1.32 -1.96 115.11 114.66 2xdi h GLN 98 Ca 0.00 -0.13 -0.13 0.00 0.09 0.00 0.00 58.65 58.49 2xdi h GLN 98 Cb 0.17 0.05 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 2xdi h GLN 98 CO 0.00 0.92 -0.17 2.35 0.09 0.00 0.00 178.83 182.02 2xdi h TRP 99 N 0.02 1.16 -0.39 0.06 -0.00 -0.61 -1.75 115.95 114.44 2xdi h TRP 99 Ca -0.14 -0.26 -0.12 0.00 -0.00 0.00 0.00 58.89 58.37 2xdi h TRP 99 Cb 1.90 -0.28 -0.01 0.00 -0.00 0.00 0.00 29.16 30.77 2xdi h TRP 99 CO 0.02 1.09 -0.23 -0.07 -0.00 0.00 0.00 178.44 179.25 2xdi h LEU 100 N 0.89 0.80 -2.06 0.65 3.38 -1.56 -1.31 115.31 116.10 2xdi h LEU 100 Ca 0.13 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.85 2xdi h LEU 100 Cb 0.75 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2xdi h LEU 100 CO 0.06 1.00 0.12 -0.33 0.09 0.00 0.00 178.44 179.38 2xdi h GLU 101 N 0.68 0.00 0.00 1.13 5.08 -0.85 1.15 114.58 121.77 2xdi h GLU 101 Ca 0.09 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.22 2xdi h GLU 101 Cb 0.75 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 2xdi h GLU 101 CO 0.06 0.00 -1.33 0.93 -1.00 0.00 0.00 179.01 177.67 2xdi h GLU 102 N 0.00 0.00 0.00 2.33 3.07 -0.63 0.15 114.58 119.49 2xdi h GLU 102 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2xdi h GLU 102 Cb 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.21 2xdi h GLU 102 CO -0.00 0.64 -0.49 0.28 -1.40 0.00 0.00 179.01 178.04 2xdi n VAL 103 N -3.14 0.14 -0.02 3.13 0.31 -0.18 -3.15 118.33 115.42 2xdi n VAL 103 Ca -0.09 -0.11 -0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2xdi n VAL 103 Cb 0.96 0.01 -0.06 0.00 -0.91 0.00 0.00 33.84 33.84 2xdi n VAL 103 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2xdi n LEU 104 N -1.74 0.00 -1.78 7.52 7.94 0.38 -4.48 117.00 124.84 2xdi n LEU 104 Ca 0.05 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.97 2xdi n LEU 104 Cb 0.38 0.11 0.35 0.00 0.53 0.00 0.00 43.42 44.78 2xdi n LEU 104 CO 0.35 0.11 0.91 0.18 -1.11 0.00 0.00 177.39 177.83 2xdi n LEU 105 N -2.07 5.60 0.00 -1.96 4.77 0.51 -5.02 117.00 118.83 2xdi n LEU 105 Ca -0.08 -3.08 0.00 0.00 -0.03 0.00 0.00 56.01 52.82 2xdi n LEU 105 Cb 0.52 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2xdi n LEU 105 CO 0.17 0.72 0.00 2.29 -1.33 0.00 0.00 177.39 179.24 2xdi n LYS 106 N 0.13 0.00 0.00 3.23 2.85 -1.19 -4.84 118.16 118.35 2xdi n LYS 106 Ca 0.32 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.58 2xdi n LYS 106 Cb 1.23 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.61 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 0.00 0.00 0.00 -5.58 2.88 -1.26 -5.12 113.62 104.54 2xdi n SER 107 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2xdi n SER 107 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2xdi n SER 107 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14