#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 6.70 -0.03 1.08 0.15 -1.26 -4.99 113.70 115.36 2xdi s SER 5 Ca 0.00 0.84 -0.18 0.00 0.70 0.00 0.00 55.95 57.32 2xdi s SER 5 Cb 0.00 -2.31 -0.10 0.00 -1.71 0.00 0.00 66.02 61.89 2xdi s SER 5 CO 0.00 -0.09 0.73 1.55 1.20 0.00 0.00 173.24 176.63 2xdi h PRO 6 N 6.99 -0.54 0.00 5.44 0.13 -2.03 -3.49 132.00 138.50 2xdi h PRO 6 Ca -0.38 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2xdi h PRO 6 Cb 1.17 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2xdi h PRO 6 CO 0.75 -0.32 0.00 0.66 -0.23 0.00 0.00 178.00 178.87 2xdi n TYR 7 N -5.15 -2.59 0.12 1.56 0.53 -1.26 -5.06 117.16 105.30 2xdi n TYR 7 Ca -0.08 0.30 0.00 0.00 -1.02 0.00 0.00 57.90 57.10 2xdi n TYR 7 Cb 0.24 1.08 0.00 0.00 -1.03 0.00 0.00 39.34 39.64 2xdi n TYR 7 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2xdi n SER 8 N -2.56 -2.13 -1.19 7.72 7.64 -1.26 -4.92 113.62 116.91 2xdi n SER 8 Ca 0.00 0.52 0.00 0.00 1.01 0.00 0.00 58.87 60.40 2xdi n SER 8 Cb 0.00 2.18 0.15 0.00 -1.01 0.00 0.00 64.21 65.54 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 -2.95 3.26 -1.68 -0.43 0.00 -1.26 -4.15 120.51 113.29 2xdi n ALA 9 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 53.44 52.24 2xdi n ALA 9 Cb 0.00 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.42 2xdi n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n ALA 10 N 0.17 5.63 -2.71 0.00 0.00 -1.26 -4.76 120.51 117.58 2xdi n ALA 10 Ca 0.15 -3.63 -0.04 0.00 0.00 0.00 0.00 53.44 49.92 2xdi n ALA 10 Cb 0.73 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 19.20 2xdi n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi n MET 11 N -0.82 0.31 -1.41 0.00 0.00 -1.26 -4.72 117.12 109.22 2xdi n MET 11 Ca 0.53 -1.25 0.03 0.00 0.00 0.00 0.00 57.70 57.00 2xdi n MET 11 Cb 0.83 -0.58 0.01 0.00 0.00 0.00 0.00 33.22 33.48 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2xdi n ALA 12 N 2.42 2.53 0.06 3.17 0.00 -1.26 -4.82 120.51 122.61 2xdi n ALA 12 Ca 0.12 -2.10 -0.12 0.00 0.00 0.00 0.00 53.44 51.34 2xdi n ALA 12 Cb 0.63 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 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 0.85 -0.17 0.00 0.00 5.08 -1.99 -3.14 114.58 115.20 2xdi h GLU 13 Ca -0.27 0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.00 2xdi h GLU 13 Cb 1.82 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 2xdi h GLU 13 CO 0.05 -0.12 -1.67 1.04 -1.00 0.00 0.00 179.01 177.31 2xdi n GLN 14 N -5.22 0.64 -0.97 2.33 6.02 -1.26 -4.95 117.38 113.97 2xdi n GLN 14 Ca -0.06 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 2xdi n GLN 14 Cb 0.14 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.74 2xdi n GLN 14 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2xdi n ARG 15 N -2.60 -1.41 0.16 -1.09 0.63 -1.19 -4.80 116.66 106.36 2xdi n ARG 15 Ca -0.09 0.35 0.13 0.00 -0.92 0.00 0.00 57.85 57.32 2xdi n ARG 15 Cb 0.73 -4.48 0.31 0.00 0.45 0.00 0.00 32.46 29.47 2xdi n ARG 15 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 2xdi h HIS 16 N 0.00 0.00 0.00 -0.14 2.76 -1.92 -3.11 115.15 112.74 2xdi h HIS 16 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2xdi h HIS 16 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2xdi h HIS 16 CO 0.44 0.00 -0.12 1.96 -1.30 0.00 0.00 177.93 178.91 2xdi h GLN 17 N 0.00 0.00 -0.00 5.26 4.20 -1.93 -3.00 115.11 119.64 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 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2xdi h GLN 17 CO 0.00 0.00 -0.14 -1.91 -0.67 0.00 0.00 178.83 176.11 2xdi n GLU 18 N -2.91 0.23 0.06 1.46 4.07 -1.18 -2.73 120.64 119.64 2xdi n GLU 18 Ca 0.04 -0.06 -0.21 0.00 -0.06 0.00 0.00 57.16 56.86 2xdi n GLU 18 Cb 0.52 -1.50 -0.15 0.00 -0.06 0.00 0.00 31.44 30.25 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 2xdi h TRP 19 N 0.15 0.60 -0.23 4.31 2.91 -1.63 -2.44 115.95 119.62 2xdi h TRP 19 Ca 0.00 -0.44 -0.18 0.00 1.13 0.00 0.00 58.89 59.40 2xdi h TRP 19 Cb 0.44 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 2xdi h TRP 19 CO 0.00 1.41 -0.57 -0.07 -1.03 0.00 0.00 178.44 178.18 2xdi h LEU 20 N -0.27 0.81 -1.26 0.65 3.38 -1.66 0.21 115.31 117.18 2xdi h LEU 20 Ca -0.20 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.28 2xdi h LEU 20 Cb 1.76 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.26 2xdi h LEU 20 CO 0.15 1.21 0.06 -0.09 0.09 0.00 0.00 178.44 179.86 2xdi h ARG 21 N 0.55 0.57 0.01 1.13 9.65 -1.62 0.99 114.38 125.66 2xdi h ARG 21 Ca 0.00 -0.11 -0.22 0.00 -1.10 0.00 0.00 59.98 58.56 2xdi h ARG 21 Cb 1.16 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 2xdi h ARG 21 CO 0.12 0.55 -1.08 0.35 2.80 0.00 0.00 179.97 182.70 2xdi h PHE 22 N 0.56 0.03 -0.15 2.20 3.57 -1.19 0.56 116.94 122.52 2xdi h PHE 22 Ca 0.13 -0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.41 2xdi h PHE 22 Cb 0.26 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.00 2xdi h PHE 22 CO 0.01 1.02 -0.64 0.28 -2.23 0.00 0.00 178.31 176.75 2xdi h VAL 23 N 0.01 1.31 -0.07 1.41 2.07 0.33 0.28 116.25 121.57 2xdi h VAL 23 Ca -0.04 -1.87 -0.19 0.00 0.82 0.00 0.00 66.70 65.41 2xdi h VAL 23 Cb 1.81 2.01 0.01 0.00 -1.52 0.00 0.00 31.29 33.59 2xdi h VAL 23 CO 0.13 0.59 -0.69 0.44 0.02 0.00 0.00 177.57 178.06 2xdi h ASP 24 N 0.40 0.74 0.05 0.57 3.32 0.93 0.39 116.42 122.82 2xdi h ASP 24 Ca -0.04 -0.68 -0.09 0.00 0.02 0.00 0.00 57.03 56.24 2xdi h ASP 24 Cb 1.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2xdi h ASP 24 CO 0.13 1.31 -0.30 -0.07 -1.72 0.00 0.00 179.24 178.60 2xdi h LEU 25 N 0.23 0.37 0.27 1.55 3.38 -0.91 0.61 115.31 120.81 2xdi h LEU 25 Ca -0.06 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2xdi h LEU 25 Cb 1.35 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2xdi h LEU 25 CO 0.14 0.66 -0.13 0.25 0.09 0.00 0.00 178.44 179.45 2xdi h LEU 26 N 0.32 -0.31 -2.24 1.67 5.85 -0.33 0.21 115.31 120.49 2xdi h LEU 26 Ca 0.04 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2xdi h LEU 26 Cb 0.69 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2xdi h LEU 26 CO 0.05 0.18 0.08 0.07 -0.34 0.00 0.00 178.44 178.47 2xdi h LYS 27 N -1.01 0.00 -0.00 1.25 5.09 -0.19 0.57 116.57 122.28 2xdi h LYS 27 Ca -0.04 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.58 2xdi h LYS 27 Cb 0.45 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.76 2xdi h LYS 27 CO 0.06 0.00 -0.56 -0.97 -2.09 0.00 0.00 179.45 175.89 2xdi h ASN 28 N 0.00 0.01 0.31 7.07 -0.73 0.39 -2.79 115.58 119.84 2xdi h ASN 28 Ca 0.04 -0.01 -0.18 0.00 1.87 0.00 0.00 56.30 58.03 2xdi h ASN 28 Cb 0.19 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 2xdi h ASN 28 CO -0.00 0.57 -0.72 0.00 -0.37 0.00 0.00 177.43 176.92 2xdi h ALA 29 N 1.43 0.64 -0.08 1.57 0.00 0.23 -2.66 119.26 120.38 2xdi h ALA 29 Ca -0.01 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.25 2xdi h ALA 29 Cb 1.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2xdi h ALA 29 CO 0.07 0.77 -0.20 1.88 0.00 0.00 0.00 179.25 181.78 2xdi h TYR 30 N 0.24 0.13 -0.02 0.00 0.99 -1.01 2.18 116.97 119.48 2xdi h TYR 30 Ca -0.03 -0.02 -0.24 0.00 2.00 0.00 0.00 58.73 60.45 2xdi h TYR 30 Cb 1.28 -0.04 0.02 0.00 1.00 0.00 0.00 36.73 38.99 2xdi h TYR 30 CO 0.04 0.32 -0.91 1.96 -0.00 0.00 0.00 178.16 179.57 2xdi h GLN 31 N 0.12 0.65 -0.02 4.88 1.08 -1.35 -3.20 115.11 117.27 2xdi h GLN 31 Ca 0.02 -0.67 0.00 0.00 -1.45 0.00 0.00 58.65 56.55 2xdi h GLN 31 Cb 0.42 0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 2xdi h GLN 31 CO 0.03 1.27 -0.05 0.09 -0.95 0.00 0.00 178.83 179.21 2xdi n ASN 32 N -3.95 2.13 -3.41 1.46 3.02 -1.02 -4.96 115.26 108.52 2xdi n ASN 32 Ca -0.10 -1.66 -0.17 0.00 -0.03 0.00 0.00 54.58 52.61 2xdi n ASN 32 Cb 0.82 0.04 0.08 0.00 -0.61 0.00 0.00 39.78 40.11 2xdi n ASN 32 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2xdi n ASP 33 N 0.59 -3.32 -0.22 6.41 10.43 0.71 -4.91 116.55 126.24 2xdi n ASP 33 Ca 0.16 -0.68 0.08 0.00 2.57 0.00 0.00 54.79 56.93 2xdi n ASP 33 Cb 0.46 -5.00 -0.04 0.00 1.84 0.00 0.00 41.12 38.38 2xdi n ASP 33 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2xdi n LEU 34 N -3.90 1.32 -0.10 0.64 4.77 0.33 -4.24 117.00 115.82 2xdi n LEU 34 Ca -0.22 -0.65 0.14 0.00 -0.03 0.00 0.00 56.01 55.25 2xdi n LEU 34 Cb 0.65 0.00 0.56 0.00 -2.33 0.00 0.00 43.42 42.31 2xdi n LEU 34 CO 0.61 0.27 0.83 0.00 -1.33 0.00 0.00 177.39 177.77 2xdi n HIS 35 N -0.67 0.00 -0.25 -1.77 1.44 -1.26 -4.11 115.22 108.60 2xdi n HIS 35 Ca 0.06 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.80 2xdi n HIS 35 Cb 0.33 -0.22 0.14 0.00 0.12 0.00 0.00 29.99 30.35 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 0.49 -0.38 -0.53 2.39 3.38 -1.92 1.70 115.31 120.44 2xdi h LEU 36 Ca 0.00 0.19 -0.15 0.00 0.09 0.00 0.00 57.88 58.01 2xdi h LEU 36 Cb 0.39 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2xdi h LEU 36 CO 0.00 -0.18 -0.39 1.55 0.09 0.00 0.00 178.44 179.52 2xdi h PRO 37 N 0.09 0.77 0.00 1.13 0.13 -1.91 -0.88 132.00 131.33 2xdi h PRO 37 Ca 0.39 -0.40 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 2xdi h PRO 37 Cb 0.66 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2xdi h PRO 37 CO -0.65 1.02 -0.32 1.25 -0.23 0.00 0.00 178.00 179.07 2xdi h LEU 38 N 0.63 0.00 0.10 1.56 6.46 -1.10 0.31 115.31 123.27 2xdi h LEU 38 Ca 0.05 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.54 2xdi h LEU 38 Cb 0.94 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 2xdi h LEU 38 CO 0.09 0.32 -1.22 0.25 -0.62 0.00 0.00 178.44 177.26 2xdi h LEU 39 N 0.00 0.44 0.03 2.25 5.85 0.27 -0.57 115.31 123.58 2xdi h LEU 39 Ca -0.00 -0.46 -0.26 0.00 0.84 0.00 0.00 57.88 58.00 2xdi h LEU 39 Cb 1.02 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 2xdi h LEU 39 CO 0.04 1.34 -1.35 0.78 -0.34 0.00 0.00 178.44 178.92 2xdi h ASN 40 N 0.09 0.08 0.52 1.25 2.35 -1.09 2.04 115.58 120.82 2xdi h ASN 40 Ca -0.13 -0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.35 2xdi h ASN 40 Cb 1.94 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 40.26 2xdi h ASN 40 CO 0.20 1.10 -0.69 0.25 -1.65 0.00 0.00 177.43 176.64 2xdi h LEU 41 N 0.01 0.17 -0.03 1.61 5.85 -0.44 -3.22 115.31 119.26 2xdi h LEU 41 Ca -0.15 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2xdi h LEU 41 Cb 1.90 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.88 2xdi h LEU 41 CO 0.12 0.81 -0.57 0.80 -0.34 0.00 0.00 178.44 179.25 2xdi n MET 42 N -3.78 2.85 -1.03 1.25 1.56 -0.22 -4.99 117.12 112.77 2xdi n MET 42 Ca -0.02 -0.03 -0.43 0.00 -0.27 0.00 0.00 57.70 56.94 2xdi n MET 42 Cb 0.67 -1.09 -0.10 0.00 2.15 0.00 0.00 33.22 34.85 2xdi n MET 42 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 2xdi n LEU 43 N -1.25 0.50 -4.45 -0.89 0.00 0.69 -4.88 117.00 106.72 2xdi n LEU 43 Ca 0.02 0.44 -0.30 0.00 0.00 0.00 0.00 56.01 56.18 2xdi n LEU 43 Cb 0.20 -0.71 -0.12 0.00 0.00 0.00 0.00 43.42 42.79 2xdi n LEU 43 CO 0.25 -0.59 -0.51 0.42 0.00 0.00 0.00 177.39 176.95 2xdi s THR 44 N 5.26 2.65 0.16 1.96 -4.23 -1.26 -4.99 115.64 115.19 2xdi s THR 44 Ca 0.97 -1.49 -0.06 0.00 -1.18 0.00 0.00 61.69 59.92 2xdi s THR 44 Cb -1.13 -2.18 -0.10 0.00 1.34 0.00 0.00 72.50 70.43 2xdi s THR 44 CO 0.49 0.16 1.42 1.55 -0.54 0.00 0.00 174.62 177.70 2xdi h PRO 45 N 3.99 0.62 0.00 3.99 0.13 -2.00 -2.83 132.00 135.90 2xdi h PRO 45 Ca -0.49 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2xdi h PRO 45 Cb 1.16 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2xdi h PRO 45 CO 0.44 1.07 0.00 0.22 -0.23 0.00 0.00 178.00 179.51 2xdi h ASP 46 N 0.45 0.00 0.04 1.44 1.82 -1.98 -0.07 116.42 118.13 2xdi h ASP 46 Ca -0.02 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.57 2xdi h ASP 46 Cb 1.24 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.26 2xdi h ASP 46 CO 0.13 0.00 -0.25 -0.33 -1.61 0.00 0.00 179.24 177.18 2xdi h GLU 47 N 0.00 0.08 0.00 0.28 5.08 -1.92 -0.12 114.58 117.98 2xdi h GLU 47 Ca 0.00 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2xdi h GLU 47 Cb 0.10 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2xdi h GLU 47 CO 0.00 1.07 -0.26 0.00 -1.00 0.00 0.00 179.01 178.82 2xdi h ARG 48 N -0.82 0.00 0.09 2.33 3.08 -1.42 0.21 114.38 117.84 2xdi h ARG 48 Ca -0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 2xdi h ARG 48 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.25 2xdi h ARG 48 CO 0.04 0.26 -0.50 1.49 -1.07 0.00 0.00 179.97 180.18 2xdi h GLU 49 N 0.00 0.18 -0.22 0.04 4.22 -1.07 -2.56 114.58 115.17 2xdi h GLU 49 Ca -0.00 -0.31 -0.13 0.00 0.08 0.00 0.00 59.36 59.00 2xdi h GLU 49 Cb 0.63 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 2xdi h GLU 49 CO 0.03 1.15 -0.42 0.00 -2.18 0.00 0.00 179.01 177.59 2xdi h ALA 50 N 0.05 0.87 0.21 2.92 0.00 -0.90 0.15 119.26 122.56 2xdi h ALA 50 Ca -0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 2xdi h ALA 50 Cb 1.39 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2xdi h ALA 50 CO 0.09 0.64 -0.10 1.25 0.00 0.00 0.00 179.25 181.13 2xdi h LEU 51 N 0.43 -0.24 -1.96 0.00 7.12 -0.67 -0.43 115.31 119.56 2xdi h LEU 51 Ca 0.03 0.01 0.25 0.00 0.13 0.00 0.00 57.88 58.30 2xdi h LEU 51 Cb 0.91 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 41.07 2xdi h LEU 51 CO 0.08 -0.14 0.66 1.23 -0.13 0.00 0.00 178.44 180.14 2xdi h GLY 52 N -0.34 0.00 0.81 3.75 0.00 -1.52 0.39 103.07 106.16 2xdi h GLY 52 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 2xdi h GLY 52 CO 0.05 0.00 -0.14 -0.84 0.00 0.00 0.00 176.54 175.61 2xdi h THR 53 N 0.00 0.75 -0.43 4.70 2.02 -0.54 -2.04 112.91 117.38 2xdi h THR 53 Ca 0.41 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.26 2xdi h THR 53 Cb 1.73 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 2xdi h THR 53 CO -0.00 0.08 0.20 -0.09 0.37 0.00 0.00 175.52 176.08 2xdi h ARG 54 N -0.59 0.40 -1.01 6.66 2.43 0.76 0.61 114.38 123.65 2xdi h ARG 54 Ca -0.04 -0.02 0.24 0.00 -0.81 0.00 0.00 59.98 59.34 2xdi h ARG 54 Cb 0.42 -0.09 -0.10 0.00 -0.42 0.00 0.00 29.97 29.79 2xdi h ARG 54 CO 0.07 0.26 0.63 0.28 -1.51 0.00 0.00 179.97 179.70 2xdi h VAL 55 N 0.41 0.59 0.11 0.20 2.07 -1.22 0.96 116.25 119.37 2xdi h VAL 55 Ca 0.19 -0.18 -0.19 0.00 0.82 0.00 0.00 66.70 67.34 2xdi h VAL 55 Cb 0.11 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2xdi h VAL 55 CO -0.14 0.10 -0.81 -0.09 0.02 0.00 0.00 177.57 176.64 2xdi h ARG 56 N 0.52 0.35 -0.01 1.57 2.43 -0.23 -2.52 114.38 116.49 2xdi h ARG 56 Ca 0.59 -0.53 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2xdi h ARG 56 Cb 1.26 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 2xdi h ARG 56 CO -0.34 1.22 -0.27 0.82 -1.51 0.00 0.00 179.97 179.90 2xdi h ILE 57 N -0.26 0.00 -0.55 1.20 2.04 0.25 1.40 117.51 121.59 2xdi h ILE 57 Ca -0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.81 2xdi h ILE 57 Cb 1.60 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2xdi h ILE 57 CO 0.15 0.00 0.20 -0.37 0.00 0.00 0.00 178.15 178.14 2xdi h VAL 58 N -0.33 0.81 0.82 1.67 -1.51 -1.25 0.78 116.25 117.24 2xdi h VAL 58 Ca 0.01 -0.13 -0.04 0.00 -1.23 0.00 0.00 66.70 65.31 2xdi h VAL 58 Cb 0.36 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 2xdi h VAL 58 CO -0.19 0.07 -0.45 -0.08 -1.23 0.00 0.00 177.57 175.69 2xdi h GLU 59 N 0.39 -1.13 0.00 5.19 4.81 -0.87 -1.42 114.58 121.55 2xdi h GLU 59 Ca 0.27 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 2xdi h GLU 59 Cb 0.31 0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.94 2xdi h GLU 59 CO -0.27 -0.75 0.00 1.49 -0.73 0.00 0.00 179.01 178.75 2xdi h GLU 60 N -1.17 0.00 0.02 1.92 4.22 0.22 -1.71 114.58 118.08 2xdi h GLU 60 Ca -0.11 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.33 2xdi h GLU 60 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2xdi h GLU 60 CO 0.15 0.00 -0.01 1.25 -2.18 0.00 0.00 179.01 178.22 2xdi h LEU 61 N 0.00 -0.02 -0.35 1.64 7.12 0.17 2.65 115.31 126.52 2xdi h LEU 61 Ca 0.00 -0.11 -0.05 0.00 0.13 0.00 0.00 57.88 57.85 2xdi h LEU 61 Cb 0.07 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 2xdi h LEU 61 CO 0.00 0.09 0.02 0.25 -0.13 0.00 0.00 178.44 178.67 2xdi h LEU 62 N -0.14 0.59 -0.45 2.25 7.12 -1.03 -2.99 115.31 120.66 2xdi h LEU 62 Ca -0.00 -0.30 -0.01 0.00 0.13 0.00 0.00 57.88 57.70 2xdi h LEU 62 Cb 0.13 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.08 2xdi h LEU 62 CO 0.00 0.74 0.22 -0.09 -0.13 0.00 0.00 178.44 179.19 2xdi h ARG 63 N 0.42 0.63 -6.43 1.25 2.43 -1.01 -3.45 114.38 108.23 2xdi h ARG 63 Ca 0.10 -0.09 -0.50 0.00 -0.81 0.00 0.00 59.98 58.68 2xdi h ARG 63 Cb 0.43 -0.12 -0.31 0.00 -0.42 0.00 0.00 29.97 29.55 2xdi h ARG 63 CO 0.01 0.53 -0.72 0.41 -1.51 0.00 0.00 179.97 178.69 2xdi n GLY 64 N -0.93 -0.34 0.48 2.80 0.00 0.89 -4.64 105.19 103.44 2xdi n GLY 64 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.43 0.00 -0.07 1.61 -0.00 -1.26 -4.72 120.64 112.77 2xdi n GLU 65 Ca 0.10 -0.83 0.09 0.00 -0.00 0.00 0.00 57.16 56.52 2xdi n GLU 65 Cb 0.38 -0.42 0.13 0.00 -0.00 0.00 0.00 31.44 31.53 2xdi n GLU 65 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 2xdi n MET 66 N 0.00 1.37 0.00 3.44 1.56 -1.26 -4.79 117.12 117.45 2xdi n MET 66 Ca 0.00 -2.49 0.00 0.00 -0.27 0.00 0.00 57.70 54.94 2xdi n MET 66 Cb 0.66 -1.46 0.00 0.00 2.15 0.00 0.00 33.22 34.57 2xdi n MET 66 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2xdi n SER 67 N -1.36 0.00 -0.01 6.12 2.88 -1.26 -4.96 113.62 115.03 2xdi n SER 67 Ca 0.15 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.77 2xdi n SER 67 Cb 0.62 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.94 2xdi n SER 67 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2xdi n GLN 68 N 0.00 0.55 0.00 -1.46 7.27 -1.26 -3.39 117.38 119.09 2xdi n GLN 68 Ca 0.00 -0.15 0.04 0.00 0.07 0.00 0.00 57.00 56.96 2xdi n GLN 68 Cb 0.00 -1.41 -0.05 0.00 2.41 0.00 0.00 30.24 31.19 2xdi n GLN 68 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2xdi n ARG 69 N -2.12 4.04 0.00 3.69 0.63 -1.26 -4.25 116.66 117.39 2xdi n ARG 69 Ca -0.04 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2xdi n ARG 69 Cb 0.47 -0.92 0.00 0.00 0.45 0.00 0.00 32.46 32.46 2xdi n ARG 69 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2xdi n GLU 70 N -1.21 1.08 -1.86 -0.14 1.02 -1.26 -4.74 120.64 113.53 2xdi n GLU 70 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.03 2xdi n GLU 70 Cb 0.14 -0.98 0.06 0.00 -0.02 0.00 0.00 31.44 30.64 2xdi n GLU 70 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2xdi n LEU 71 N -1.55 3.77 0.00 -4.62 4.32 -1.22 -4.70 117.00 113.01 2xdi n LEU 71 Ca 0.00 -4.18 0.00 0.00 -0.02 0.00 0.00 56.01 51.81 2xdi n LEU 71 Cb 0.11 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 2xdi n LEU 71 CO 0.00 1.72 -0.48 1.17 -1.22 0.00 0.00 177.39 178.58 2xdi n LYS 72 N -0.71 0.00 0.13 3.23 4.81 -1.25 -3.23 118.16 121.14 2xdi n LYS 72 Ca 0.31 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.88 2xdi n LYS 72 Cb 0.90 -0.74 0.40 0.00 0.02 0.00 0.00 35.03 35.61 2xdi n LYS 72 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 2xdi h ASN 73 N 0.00 0.00 -0.00 3.14 -1.24 -1.85 1.98 115.58 117.60 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 0.96 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.01 2xdi h ASN 73 CO 0.00 0.00 -0.01 -0.62 -1.29 0.00 0.00 177.43 175.51 2xdi n GLU 74 N -2.37 1.49 0.00 6.67 4.71 -1.26 -4.68 120.64 125.20 2xdi n GLU 74 Ca 0.05 -0.74 0.00 0.00 -0.01 0.00 0.00 57.16 56.46 2xdi n GLU 74 Cb 0.41 -1.48 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 2xdi n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2xdi n PHE 75 N -0.11 0.00 0.00 -0.32 -0.00 -1.11 -5.11 117.46 110.81 2xdi n PHE 75 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 2xdi n PHE 75 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.78 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 -0.11 1.13 3.56 7.13 0.00 0.67 -4.68 105.19 112.90 2xdi n GLY 76 Ca 0.00 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 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 1.42 1.11 -2.11 4.61 0.00 -1.20 -0.75 120.51 123.59 2xdi n ALA 77 Ca 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 53.44 52.75 2xdi n ALA 77 Cb 0.00 -3.04 -0.00 0.00 0.00 0.00 0.00 19.45 16.41 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 5.99 0.19 0.00 0.00 0.00 -1.26 -4.84 105.19 105.27 2xdi n GLY 78 Ca 0.36 -0.68 0.07 0.00 0.00 0.00 0.00 46.02 45.78 2xdi n GLY 78 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2xdi n ILE 79 N -3.97 0.89 0.00 -0.61 0.00 0.07 -2.38 119.36 113.36 2xdi n ILE 79 Ca -0.05 0.22 0.00 0.00 0.00 0.00 0.00 62.75 62.92 2xdi n ILE 79 Cb 0.54 -0.96 0.00 0.00 0.00 0.00 0.00 39.64 39.22 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2xdi n ALA 80 N -1.47 1.75 -0.03 1.51 0.00 -1.26 -4.69 120.51 116.33 2xdi n ALA 80 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.46 2xdi n ALA 80 Cb 0.17 0.21 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 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 -1.67 0.49 0.00 0.00 -2.24 -1.23 -2.99 114.28 106.65 2xdi n THR 81 Ca 0.00 0.40 0.22 0.00 -2.27 0.00 0.00 64.05 62.40 2xdi n THR 81 Cb 0.35 -1.80 0.60 0.00 -2.10 0.00 0.00 70.33 67.38 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 -0.34 0.18 -0.28 2.28 2.04 -1.80 1.18 117.51 120.77 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 0.22 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2xdi h ILE 82 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 178.15 178.50 2xdi n THR 83 N -3.40 2.33 0.00 -0.27 -2.24 -1.03 -4.89 114.28 104.77 2xdi n THR 83 Ca 0.12 -1.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 2xdi n THR 83 Cb 0.97 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 2xdi n THR 83 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2xdi n ARG 84 N -0.43 0.00 -3.52 -0.78 3.00 0.41 -4.82 116.66 110.51 2xdi n ARG 84 Ca 0.22 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.70 2xdi n ARG 84 Cb 0.92 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 33.33 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2xdi n GLY 85 N 1.67 4.28 3.17 5.14 0.00 -1.26 -4.97 105.19 113.22 2xdi n GLY 85 Ca 0.00 -2.61 -0.42 0.00 0.00 0.00 0.00 46.02 42.98 2xdi n GLY 85 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2xdi n SER 86 N 2.16 4.40 -3.83 1.61 7.64 -1.26 -4.97 113.62 119.37 2xdi n SER 86 Ca 0.23 -2.88 -0.30 0.00 1.01 0.00 0.00 58.87 56.93 2xdi n SER 86 Cb 0.37 -1.70 0.24 0.00 -1.01 0.00 0.00 64.21 62.11 2xdi n SER 86 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2xdi s ASN 87 N 3.74 0.76 0.00 6.43 -0.87 -1.26 -5.08 114.94 118.66 2xdi s ASN 87 Ca 0.51 0.71 0.00 0.00 -1.57 0.00 0.00 52.86 52.51 2xdi s ASN 87 Cb 0.09 -1.00 0.00 0.00 -0.02 0.00 0.00 41.25 40.31 2xdi s ASN 87 CO -0.00 -4.23 0.00 -1.20 -2.57 0.00 0.00 177.10 169.10 2xdi n SER 88 N -4.85 0.00 -0.27 -1.22 7.64 -1.26 -4.60 113.62 109.07 2xdi n SER 88 Ca 0.12 0.00 0.32 0.00 1.01 0.00 0.00 58.87 60.33 2xdi n SER 88 Cb 0.59 0.00 0.58 0.00 -1.01 0.00 0.00 64.21 64.37 2xdi n SER 88 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2xdi h LEU 89 N 0.00 0.00 -2.52 -3.43 -0.00 -1.98 2.26 115.31 109.64 2xdi h LEU 89 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2xdi h LEU 89 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2xdi h LEU 89 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 178.44 178.94 2xdi h LYS 90 N 0.00 0.00 0.00 0.17 3.64 -2.01 -0.96 116.57 117.42 2xdi h LYS 90 Ca 0.54 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2xdi h LYS 90 Cb 2.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.58 2xdi h LYS 90 CO -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.17 2xdi n ALA 91 N -2.02 2.34 -3.79 5.00 0.00 0.76 -5.03 120.51 117.77 2xdi n ALA 91 Ca -0.02 -0.63 -0.28 0.00 0.00 0.00 0.00 53.44 52.50 2xdi n ALA 91 Cb 0.09 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.14 -2.72 -0.04 0.00 0.00 -0.37 -4.78 120.51 112.47 2xdi n ALA 92 Ca 0.00 -0.32 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 2xdi n ALA 92 Cb 0.07 -1.53 -0.09 0.00 0.00 0.00 0.00 19.45 17.90 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 -0.93 0.31 0.00 0.00 0.13 -1.87 -1.78 132.00 127.86 2xdi h PRO 93 Ca -0.60 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2xdi h PRO 93 Cb 1.36 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2xdi h PRO 93 CO 0.41 0.83 0.21 0.28 -0.23 0.00 0.00 178.00 179.50 2xdi h VAL 94 N -0.16 0.00 0.12 1.56 2.07 -1.94 0.63 116.25 118.53 2xdi h VAL 94 Ca -0.01 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 2xdi h VAL 94 Cb 0.85 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2xdi h VAL 94 CO 0.05 0.00 -1.61 -0.08 0.02 0.00 0.00 177.57 175.95 2xdi h GLU 95 N 0.00 0.25 -0.20 1.57 4.81 -1.77 -3.04 114.58 116.20 2xdi h GLU 95 Ca 0.00 -0.43 -0.15 0.00 -0.13 0.00 0.00 59.36 58.66 2xdi h GLU 95 Cb 0.41 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2xdi h GLU 95 CO 0.00 1.10 -0.44 1.25 -0.73 0.00 0.00 179.01 180.19 2xdi h LEU 96 N 0.07 0.73 -1.42 1.64 7.12 0.85 -2.49 115.31 121.81 2xdi h LEU 96 Ca -0.27 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.18 2xdi h LEU 96 Cb 2.03 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.92 2xdi h LEU 96 CO 0.15 1.16 0.34 -0.09 -0.13 0.00 0.00 178.44 179.87 2xdi h ARG 97 N 0.34 0.73 0.34 1.25 2.43 -0.29 0.79 114.38 119.97 2xdi h ARG 97 Ca 0.00 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2xdi h ARG 97 Cb 1.05 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2xdi h ARG 97 CO 0.10 0.50 -0.17 1.96 -1.51 0.00 0.00 179.97 180.85 2xdi h GLN 98 N 0.75 -0.44 -0.73 0.20 1.08 -1.40 0.22 115.11 114.78 2xdi h GLN 98 Ca 0.20 0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.37 2xdi h GLN 98 Cb -0.05 0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 2xdi h GLN 98 CO -0.04 -0.15 0.23 2.35 -0.95 0.00 0.00 178.83 180.27 2xdi h TRP 99 N -0.74 1.17 -0.65 2.96 -0.00 -1.12 -1.11 115.95 116.44 2xdi h TRP 99 Ca -0.05 -0.11 0.01 0.00 -0.00 0.00 0.00 58.89 58.73 2xdi h TRP 99 Cb 0.50 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.29 2xdi h TRP 99 CO 0.01 0.92 0.43 1.25 -0.00 0.00 0.00 178.44 181.05 2xdi h LEU 100 N 1.08 0.75 -1.21 0.65 5.85 0.70 0.17 115.31 123.30 2xdi h LEU 100 Ca 0.24 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 2xdi h LEU 100 Cb 0.30 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2xdi h LEU 100 CO -0.01 0.55 -0.39 -0.08 -0.34 0.00 0.00 178.44 178.17 2xdi h GLU 101 N 0.89 0.00 0.01 1.25 4.81 0.52 -0.60 114.58 121.46 2xdi h GLU 101 Ca 0.24 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.24 2xdi h GLU 101 Cb -0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.28 2xdi h GLU 101 CO -0.05 0.39 -0.96 0.93 -0.73 0.00 0.00 179.01 178.58 2xdi h GLU 102 N 0.00 0.42 0.00 1.92 5.08 0.33 2.20 114.58 124.54 2xdi h GLU 102 Ca -0.00 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 2xdi h GLU 102 Cb 0.72 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2xdi h GLU 102 CO 0.05 1.13 -0.06 0.28 -1.00 0.00 0.00 179.01 179.41 2xdi h VAL 103 N 0.23 0.13 0.00 3.13 2.07 -0.36 -0.87 116.25 120.59 2xdi h VAL 103 Ca -0.09 -0.74 -0.34 0.00 0.82 0.00 0.00 66.70 66.35 2xdi h VAL 103 Cb 1.60 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.96 2xdi h VAL 103 CO 0.17 0.06 -2.29 -0.11 0.02 0.00 0.00 177.57 175.42 2xdi n LEU 104 N -3.16 0.70 -2.26 2.57 -0.00 -0.27 -4.29 117.00 110.29 2xdi n LEU 104 Ca 0.01 -0.03 -0.29 0.00 -0.00 0.00 0.00 56.01 55.70 2xdi n LEU 104 Cb 0.37 0.15 0.13 0.00 -0.00 0.00 0.00 43.42 44.08 2xdi n LEU 104 CO 0.30 0.56 1.35 -0.11 -0.00 0.00 0.00 177.39 179.49 2xdi n LEU 105 N -2.80 7.15 -4.67 -1.96 7.94 0.74 -4.96 117.00 118.44 2xdi n LEU 105 Ca -0.33 -3.95 -0.42 0.00 -1.11 0.00 0.00 56.01 50.20 2xdi n LEU 105 Cb 1.07 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 44.09 2xdi n LEU 105 CO 0.36 1.27 1.26 -0.75 -1.11 0.00 0.00 177.39 178.41 2xdi s LYS 106 N -3.56 4.21 0.06 1.96 2.20 -0.34 -4.83 119.74 119.46 2xdi s LYS 106 Ca 0.61 2.05 0.09 0.00 -0.36 0.00 0.00 55.97 58.36 2xdi s LYS 106 Cb 0.49 -3.83 -0.03 0.00 -1.51 0.00 0.00 37.83 32.95 2xdi s LYS 106 CO 0.05 -0.76 -0.26 0.45 -0.36 0.00 0.00 175.35 174.48 2xdi s SER 107 N 2.71 3.27 0.00 1.43 0.15 -1.26 -5.09 113.70 114.91 2xdi s SER 107 Ca 0.68 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2xdi s SER 107 Cb -0.31 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2xdi s SER 107 CO 0.26 0.24 0.18 -0.67 1.20 0.00 0.00 173.24 174.46