#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 6.47 -0.03 1.08 0.15 -1.26 -5.00 113.70 115.11 2xdi s SER 5 Ca 0.00 0.56 -0.17 0.00 0.70 0.00 0.00 55.95 57.03 2xdi s SER 5 Cb 0.00 -2.21 -0.11 0.00 -1.71 0.00 0.00 66.02 62.00 2xdi s SER 5 CO 0.00 0.05 0.73 1.55 1.20 0.00 0.00 173.24 176.78 2xdi h PRO 6 N 6.80 -0.48 0.00 5.44 0.13 -2.03 -3.48 132.00 138.37 2xdi h PRO 6 Ca -0.40 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 2xdi h PRO 6 Cb 1.17 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2xdi h PRO 6 CO 0.75 -0.25 0.00 0.66 -0.23 0.00 0.00 178.00 178.93 2xdi n TYR 7 N -5.12 -2.76 0.10 1.56 0.53 -1.26 -5.06 117.16 105.16 2xdi n TYR 7 Ca -0.07 0.44 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 2xdi n TYR 7 Cb 0.24 1.39 0.00 0.00 -1.03 0.00 0.00 39.34 39.94 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 -2.65 -1.86 -1.26 7.72 7.64 -1.26 -4.93 113.62 117.02 2xdi n SER 8 Ca 0.00 0.47 -0.01 0.00 1.01 0.00 0.00 58.87 60.33 2xdi n SER 8 Cb 0.00 1.95 0.15 0.00 -1.01 0.00 0.00 64.21 65.30 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 -2.87 3.37 -1.64 -0.43 0.00 -1.26 -4.16 120.51 113.52 2xdi n ALA 9 Ca 0.00 -1.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.19 2xdi n ALA 9 Cb 0.00 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 18.43 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 0.12 5.44 -2.71 0.00 0.00 -1.26 -4.76 120.51 117.34 2xdi n ALA 10 Ca 0.17 -3.54 -0.05 0.00 0.00 0.00 0.00 53.44 50.03 2xdi n ALA 10 Cb 0.79 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 19.29 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 -0.87 0.38 -1.56 0.00 0.00 -1.26 -4.73 117.12 109.07 2xdi n MET 11 Ca 0.50 -1.35 0.03 0.00 0.00 0.00 0.00 57.70 56.88 2xdi n MET 11 Cb 0.89 -0.77 0.02 0.00 0.00 0.00 0.00 33.22 33.36 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 2.29 2.43 0.09 3.17 0.00 -1.26 -4.82 120.51 122.41 2xdi n ALA 12 Ca 0.11 -2.30 -0.12 0.00 0.00 0.00 0.00 53.44 51.12 2xdi n ALA 12 Cb 0.63 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 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 1.06 -0.18 0.00 0.00 5.08 -1.99 -3.18 114.58 115.37 2xdi h GLU 13 Ca -0.24 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.05 2xdi h GLU 13 Cb 1.84 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 31.12 2xdi h GLU 13 CO 0.09 -0.12 -1.67 1.04 -1.00 0.00 0.00 179.01 177.35 2xdi n GLN 14 N -5.19 0.64 -1.01 2.33 6.02 -1.26 -4.95 117.38 113.96 2xdi n GLN 14 Ca -0.07 -0.01 -0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2xdi n GLN 14 Cb 0.12 -1.66 -0.00 0.00 1.02 0.00 0.00 30.24 29.72 2xdi n GLN 14 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2xdi n ARG 15 N -2.56 -1.52 0.11 -1.09 1.74 -1.20 -4.80 116.66 107.33 2xdi n ARG 15 Ca -0.08 0.40 0.13 0.00 -0.77 0.00 0.00 57.85 57.53 2xdi n ARG 15 Cb 0.69 -4.55 0.35 0.00 -1.02 0.00 0.00 32.46 27.94 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 0.00 0.00 0.00 -1.55 2.76 -1.92 -3.15 115.15 111.29 2xdi h HIS 16 Ca -0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2xdi h HIS 16 Cb 0.77 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2xdi h HIS 16 CO 0.48 0.00 -0.31 1.96 -1.30 0.00 0.00 177.93 178.76 2xdi h GLN 17 N 0.00 0.00 -0.00 5.26 4.20 -1.93 -3.08 115.11 119.56 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 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 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 -2.78 0.19 0.02 1.46 4.07 -1.19 -2.74 120.64 119.66 2xdi n GLU 18 Ca 0.03 -0.05 -0.19 0.00 -0.06 0.00 0.00 57.16 56.89 2xdi n GLU 18 Cb 0.51 -1.50 -0.14 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 0.12 0.42 -0.28 4.31 2.91 -1.64 -2.46 115.95 119.33 2xdi h TRP 19 Ca 0.00 -0.31 -0.15 0.00 1.13 0.00 0.00 58.89 59.57 2xdi h TRP 19 Cb 0.45 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 2xdi h TRP 19 CO 0.00 1.29 -0.42 -0.07 -1.03 0.00 0.00 178.44 178.20 2xdi h LEU 20 N -0.49 0.75 -1.24 0.65 3.38 -1.67 0.25 115.31 116.93 2xdi h LEU 20 Ca -0.14 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2xdi h LEU 20 Cb 1.53 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 2xdi h LEU 20 CO 0.10 1.07 -0.01 -0.09 0.09 0.00 0.00 178.44 179.61 2xdi h ARG 21 N 0.57 0.51 0.02 1.13 9.65 -1.61 0.91 114.38 125.55 2xdi h ARG 21 Ca 0.04 -0.11 -0.23 0.00 -1.10 0.00 0.00 59.98 58.58 2xdi h ARG 21 Cb 0.97 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 2xdi h ARG 21 CO 0.09 0.54 -1.15 0.35 2.80 0.00 0.00 179.97 182.60 2xdi h PHE 22 N 0.49 0.08 -0.20 2.20 3.57 -1.11 0.40 116.94 122.37 2xdi h PHE 22 Ca 0.11 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.36 2xdi h PHE 22 Cb 0.33 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.07 2xdi h PHE 22 CO 0.01 1.05 -0.61 0.28 -2.23 0.00 0.00 178.31 176.82 2xdi h VAL 23 N 0.01 1.29 -0.05 1.41 2.07 0.28 0.34 116.25 121.61 2xdi h VAL 23 Ca -0.07 -1.82 -0.19 0.00 0.82 0.00 0.00 66.70 65.44 2xdi h VAL 23 Cb 1.84 1.87 0.01 0.00 -1.52 0.00 0.00 31.29 33.49 2xdi h VAL 23 CO 0.13 0.58 -0.71 0.44 0.02 0.00 0.00 177.57 178.03 2xdi h ASP 24 N 0.50 0.71 0.19 0.57 3.32 0.77 0.39 116.42 122.87 2xdi h ASP 24 Ca -0.02 -0.70 -0.09 0.00 0.02 0.00 0.00 57.03 56.24 2xdi h ASP 24 Cb 1.23 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2xdi h ASP 24 CO 0.13 1.31 -0.34 -0.07 -1.72 0.00 0.00 179.24 178.55 2xdi h LEU 25 N 0.17 0.23 0.23 1.55 3.38 -0.93 0.62 115.31 120.56 2xdi h LEU 25 Ca -0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2xdi h LEU 25 Cb 1.38 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.06 2xdi h LEU 25 CO 0.14 0.57 -0.11 0.25 0.09 0.00 0.00 178.44 179.38 2xdi h LEU 26 N 0.20 -0.27 -2.25 1.67 5.85 -0.20 -0.20 115.31 120.11 2xdi h LEU 26 Ca 0.02 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2xdi h LEU 26 Cb 0.71 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 2xdi h LEU 26 CO 0.05 0.24 0.08 0.07 -0.34 0.00 0.00 178.44 178.55 2xdi h LYS 27 N -1.01 0.00 0.00 1.25 5.09 -0.18 0.63 116.57 122.35 2xdi h LYS 27 Ca -0.03 0.00 -0.12 0.00 0.09 0.00 0.00 60.65 60.59 2xdi h LYS 27 Cb 0.41 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.73 2xdi h LYS 27 CO 0.05 0.00 -0.56 -0.97 -2.09 0.00 0.00 179.45 175.88 2xdi h ASN 28 N 0.00 0.00 0.42 7.07 -0.73 0.36 -2.79 115.58 119.90 2xdi h ASN 28 Ca 0.04 0.00 -0.17 0.00 1.87 0.00 0.00 56.30 58.04 2xdi h ASN 28 Cb 0.20 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.78 2xdi h ASN 28 CO -0.00 0.56 -0.74 0.00 -0.37 0.00 0.00 177.43 176.89 2xdi h ALA 29 N 1.44 0.66 -0.08 1.57 0.00 0.21 -2.67 119.26 120.39 2xdi h ALA 29 Ca -0.01 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 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 0.80 -0.24 1.88 0.00 0.00 0.00 179.25 181.76 2xdi h TYR 30 N 0.18 0.14 -0.04 0.00 0.99 -1.01 2.04 116.97 119.26 2xdi h TYR 30 Ca -0.03 -0.02 -0.22 0.00 2.00 0.00 0.00 58.73 60.46 2xdi h TYR 30 Cb 1.31 -0.04 0.02 0.00 1.00 0.00 0.00 36.73 39.01 2xdi h TYR 30 CO 0.03 0.37 -0.82 1.96 -0.00 0.00 0.00 178.16 179.70 2xdi h GLN 31 N 0.12 0.63 -0.02 4.88 1.08 -1.36 -3.19 115.11 117.25 2xdi h GLN 31 Ca 0.02 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 2xdi h GLN 31 Cb 0.50 0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2xdi h GLN 31 CO 0.04 1.23 -0.04 0.09 -0.95 0.00 0.00 178.83 179.19 2xdi n ASN 32 N -4.01 2.08 -3.42 1.46 4.13 -1.02 -4.96 115.26 109.53 2xdi n ASN 32 Ca -0.10 -1.66 -0.18 0.00 1.68 0.00 0.00 54.58 54.33 2xdi n ASN 32 Cb 0.77 0.04 0.07 0.00 -1.54 0.00 0.00 39.78 39.12 2xdi n ASN 32 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2xdi n ASP 33 N 0.57 -3.52 -0.25 6.41 10.43 0.66 -4.91 116.55 125.94 2xdi n ASP 33 Ca 0.16 -0.69 0.08 0.00 2.57 0.00 0.00 54.79 56.91 2xdi n ASP 33 Cb 0.46 -4.93 -0.03 0.00 1.84 0.00 0.00 41.12 38.45 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 -3.87 1.36 -0.13 0.64 4.77 0.37 -4.27 117.00 115.89 2xdi n LEU 34 Ca -0.21 -0.68 0.14 0.00 -0.03 0.00 0.00 56.01 55.23 2xdi n LEU 34 Cb 0.65 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.29 2xdi n LEU 34 CO 0.62 0.27 0.81 0.00 -1.33 0.00 0.00 177.39 177.76 2xdi n HIS 35 N -0.54 0.00 -0.24 -1.77 1.44 -1.26 -4.14 115.22 108.72 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 0.32 -0.19 0.14 0.00 0.12 0.00 0.00 29.99 30.38 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 0.63 -0.31 -0.58 2.39 3.38 -1.92 1.64 115.31 120.55 2xdi h LEU 36 Ca 0.00 0.18 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 2xdi h LEU 36 Cb 0.40 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2xdi h LEU 36 CO 0.00 -0.15 -0.46 1.55 0.09 0.00 0.00 178.44 179.47 2xdi h PRO 37 N 0.12 0.61 0.00 1.13 0.13 -1.92 -0.79 132.00 131.28 2xdi h PRO 37 Ca 0.38 -0.34 -0.09 0.00 -0.87 0.00 0.00 66.00 65.08 2xdi h PRO 37 Cb 0.65 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.79 2xdi h PRO 37 CO -0.61 0.94 -0.41 1.25 -0.23 0.00 0.00 178.00 178.94 2xdi h LEU 38 N 0.49 0.00 0.05 1.56 6.46 -1.12 0.28 115.31 123.04 2xdi h LEU 38 Ca 0.03 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.53 2xdi h LEU 38 Cb 0.99 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 2xdi h LEU 38 CO 0.09 0.41 -1.16 0.25 -0.62 0.00 0.00 178.44 177.41 2xdi h LEU 39 N 0.00 0.40 0.03 2.25 5.85 0.25 -0.17 115.31 123.92 2xdi h LEU 39 Ca -0.00 -0.41 -0.26 0.00 0.84 0.00 0.00 57.88 58.05 2xdi h LEU 39 Cb 1.14 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2xdi h LEU 39 CO 0.05 1.29 -1.36 0.78 -0.34 0.00 0.00 178.44 178.87 2xdi h ASN 40 N 0.09 0.09 0.63 1.25 2.35 -1.09 2.07 115.58 120.97 2xdi h ASN 40 Ca -0.11 -0.13 -0.16 0.00 -0.55 0.00 0.00 56.30 55.35 2xdi h ASN 40 Cb 1.88 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 40.20 2xdi h ASN 40 CO 0.19 1.10 -0.72 0.25 -1.65 0.00 0.00 177.43 176.60 2xdi h LEU 41 N 0.02 0.09 -0.10 1.61 5.85 -0.49 -3.22 115.31 119.07 2xdi h LEU 41 Ca -0.15 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2xdi h LEU 41 Cb 1.91 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.91 2xdi h LEU 41 CO 0.12 0.78 -0.53 0.80 -0.34 0.00 0.00 178.44 179.27 2xdi n MET 42 N -3.72 2.92 -1.08 1.25 1.56 -0.08 -4.99 117.12 112.99 2xdi n MET 42 Ca -0.02 -0.08 -0.47 0.00 -0.27 0.00 0.00 57.70 56.86 2xdi n MET 42 Cb 0.70 -1.08 -0.10 0.00 2.15 0.00 0.00 33.22 34.89 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 -1.15 0.56 -4.44 -0.89 0.00 0.70 -4.89 117.00 106.89 2xdi n LEU 43 Ca 0.03 0.50 -0.30 0.00 0.00 0.00 0.00 56.01 56.24 2xdi n LEU 43 Cb 0.20 -0.75 -0.12 0.00 0.00 0.00 0.00 43.42 42.74 2xdi n LEU 43 CO 0.23 -0.63 -0.52 0.42 0.00 0.00 0.00 177.39 176.89 2xdi s THR 44 N 5.41 2.59 0.16 1.96 -4.23 -1.26 -4.99 115.64 115.28 2xdi s THR 44 Ca 1.02 -1.50 -0.06 0.00 -1.18 0.00 0.00 61.69 59.97 2xdi s THR 44 Cb -1.22 -2.14 -0.10 0.00 1.34 0.00 0.00 72.50 70.39 2xdi s THR 44 CO 0.53 0.17 1.43 1.55 -0.54 0.00 0.00 174.62 177.75 2xdi h PRO 45 N 4.05 0.63 0.00 3.99 0.13 -2.00 -2.81 132.00 135.98 2xdi h PRO 45 Ca -0.49 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 2xdi h PRO 45 Cb 1.16 0.07 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 0.00 178.00 179.50 2xdi h ASP 46 N 0.46 0.00 0.04 1.44 1.82 -1.98 -0.08 116.42 118.13 2xdi h ASP 46 Ca -0.01 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.53 2xdi h ASP 46 Cb 1.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.24 2xdi h ASP 46 CO 0.13 0.00 -0.46 -0.33 -1.61 0.00 0.00 179.24 176.96 2xdi h GLU 47 N 0.00 0.09 0.00 0.28 5.08 -1.92 -0.64 114.58 117.47 2xdi h GLU 47 Ca 0.00 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.16 2xdi h GLU 47 Cb 0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 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 -0.80 0.00 0.02 2.33 3.08 -1.42 0.19 114.38 117.78 2xdi h ARG 48 Ca -0.10 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 2xdi h ARG 48 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2xdi h ARG 48 CO 0.01 0.26 -0.11 1.49 -1.07 0.00 0.00 179.97 180.55 2xdi h GLU 49 N 0.00 0.05 -0.35 0.04 4.81 -1.09 -2.56 114.58 115.47 2xdi h GLU 49 Ca -0.00 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 2xdi h GLU 49 Cb 0.62 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.01 2xdi h GLU 49 CO 0.03 1.00 -0.21 0.00 -0.73 0.00 0.00 179.01 179.10 2xdi h ALA 50 N 0.05 0.99 0.22 2.92 0.00 -1.01 0.90 119.26 123.33 2xdi h ALA 50 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2xdi h ALA 50 Cb 1.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2xdi h ALA 50 CO 0.02 0.60 -0.10 1.25 0.00 0.00 0.00 179.25 181.01 2xdi h LEU 51 N 0.59 -0.25 -1.94 0.00 7.12 -0.72 -0.21 115.31 119.91 2xdi h LEU 51 Ca 0.09 0.01 0.23 0.00 0.13 0.00 0.00 57.88 58.33 2xdi h LEU 51 Cb 0.68 0.06 -0.03 0.00 -0.53 0.00 0.00 40.66 40.84 2xdi h LEU 51 CO 0.05 -0.15 0.64 1.23 -0.13 0.00 0.00 178.44 180.08 2xdi h GLY 52 N -0.34 0.00 0.75 3.75 0.00 -1.50 0.45 103.07 106.19 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 -0.10 -0.84 0.00 0.00 0.00 176.54 175.65 2xdi h THR 53 N 0.00 0.89 -0.36 4.70 2.02 -0.33 -2.14 112.91 117.69 2xdi h THR 53 Ca 0.37 -0.50 0.03 0.00 0.77 0.00 0.00 66.41 67.08 2xdi h THR 53 Cb 1.64 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 2xdi h THR 53 CO -0.00 0.11 0.16 -0.09 0.37 0.00 0.00 175.52 176.07 2xdi h ARG 54 N -0.52 0.32 -1.02 6.66 2.43 0.90 0.62 114.38 123.78 2xdi h ARG 54 Ca -0.03 -0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.37 2xdi h ARG 54 Cb 0.39 -0.07 -0.11 0.00 -0.42 0.00 0.00 29.97 29.76 2xdi h ARG 54 CO 0.04 0.21 0.63 0.28 -1.51 0.00 0.00 179.97 179.63 2xdi h VAL 55 N 0.33 0.54 0.10 0.20 2.07 -1.26 0.14 116.25 118.38 2xdi h VAL 55 Ca 0.16 -0.17 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 2xdi h VAL 55 Cb 0.09 -0.00 0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2xdi h VAL 55 CO -0.13 0.09 -0.78 -0.09 0.02 0.00 0.00 177.57 176.68 2xdi h ARG 56 N 0.50 0.35 -0.03 1.57 2.43 -0.32 -2.47 114.38 116.41 2xdi h ARG 56 Ca 0.62 -0.51 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2xdi h ARG 56 Cb 1.34 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 31.04 2xdi h ARG 56 CO -0.38 1.21 -0.25 0.82 -1.51 0.00 0.00 179.97 179.86 2xdi h ILE 57 N -0.26 0.00 -0.56 1.20 2.04 0.28 1.42 117.51 121.63 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 1.57 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2xdi h ILE 57 CO 0.15 0.00 0.21 -0.37 0.00 0.00 0.00 178.15 178.14 2xdi h VAL 58 N -0.29 0.80 0.83 1.67 -1.51 -1.23 0.84 116.25 117.36 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 0.32 0.38 0.00 0.00 -2.13 0.00 0.00 31.29 29.86 2xdi h VAL 58 CO -0.18 0.07 -0.47 -0.08 -1.23 0.00 0.00 177.57 175.68 2xdi h GLU 59 N 0.39 -1.16 0.00 5.19 4.81 -0.84 -1.30 114.58 121.68 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 29.95 2xdi h GLU 59 CO -0.27 -0.77 0.00 1.49 -0.73 0.00 0.00 179.01 178.73 2xdi h GLU 60 N -1.20 0.00 -0.10 1.92 4.22 0.22 -1.72 114.58 117.92 2xdi h GLU 60 Ca -0.11 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.32 2xdi h GLU 60 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2xdi h GLU 60 CO 0.14 0.00 0.05 1.25 -2.18 0.00 0.00 179.01 178.27 2xdi h LEU 61 N 0.00 0.13 -0.29 1.64 7.12 0.19 2.66 115.31 126.76 2xdi h LEU 61 Ca 0.00 -0.12 -0.07 0.00 0.13 0.00 0.00 57.88 57.83 2xdi h LEU 61 Cb 0.09 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.18 2xdi h LEU 61 CO 0.00 0.21 -0.08 0.25 -0.13 0.00 0.00 178.44 178.70 2xdi h LEU 62 N 0.04 0.57 -0.44 2.25 7.12 -1.01 -3.06 115.31 120.78 2xdi h LEU 62 Ca 0.03 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.67 2xdi h LEU 62 Cb 0.12 -0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 40.07 2xdi h LEU 62 CO -0.00 0.81 0.23 -0.09 -0.13 0.00 0.00 178.44 179.25 2xdi h ARG 63 N 0.32 0.62 -6.54 1.25 2.43 -1.03 -3.45 114.38 107.99 2xdi h ARG 63 Ca 0.07 -0.08 -0.53 0.00 -0.81 0.00 0.00 59.98 58.64 2xdi h ARG 63 Cb 0.56 -0.12 -0.31 0.00 -0.42 0.00 0.00 29.97 29.68 2xdi h ARG 63 CO 0.03 0.50 -0.76 0.41 -1.51 0.00 0.00 179.97 178.64 2xdi n GLY 64 N -0.97 -0.31 0.60 2.80 0.00 0.89 -4.65 105.19 103.55 2xdi n GLY 64 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.53 0.00 -0.07 1.61 -0.00 -1.26 -4.73 120.64 112.66 2xdi n GLU 65 Ca 0.06 -0.86 0.07 0.00 -0.00 0.00 0.00 57.16 56.43 2xdi n GLU 65 Cb 0.40 -0.31 0.09 0.00 -0.00 0.00 0.00 31.44 31.62 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 0.04 1.68 0.00 3.44 1.56 -1.26 -4.79 117.12 117.79 2xdi n MET 66 Ca -0.00 -2.19 0.00 0.00 -0.27 0.00 0.00 57.70 55.24 2xdi n MET 66 Cb 0.69 -1.31 0.00 0.00 2.15 0.00 0.00 33.22 34.75 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 -1.10 0.00 -0.01 6.12 2.88 -1.26 -4.95 113.62 115.29 2xdi n SER 67 Ca 0.11 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.74 2xdi n SER 67 Cb 0.53 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.58 0.00 -1.46 7.27 -1.26 -3.28 117.38 119.23 2xdi n GLN 68 Ca 0.00 -0.17 0.04 0.00 0.07 0.00 0.00 57.00 56.94 2xdi n GLN 68 Cb 0.00 -1.45 -0.05 0.00 2.41 0.00 0.00 30.24 31.15 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 -2.16 3.90 0.00 3.69 0.63 -1.26 -4.24 116.66 117.21 2xdi n ARG 69 Ca -0.04 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.86 2xdi n ARG 69 Cb 0.50 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.47 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 -1.17 0.86 -1.79 -0.14 1.02 -1.26 -4.74 120.64 113.42 2xdi n GLU 70 Ca 0.02 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 2xdi n GLU 70 Cb 0.14 -0.96 0.07 0.00 -0.02 0.00 0.00 31.44 30.67 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 -1.44 3.57 0.00 -4.62 4.32 -1.20 -4.71 117.00 112.91 2xdi n LEU 71 Ca 0.00 -4.07 0.00 0.00 -0.02 0.00 0.00 56.01 51.92 2xdi n LEU 71 Cb 0.06 -0.22 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 2xdi n LEU 71 CO 0.00 1.65 -0.49 1.17 -1.22 0.00 0.00 177.39 178.51 2xdi n LYS 72 N -0.70 0.00 0.12 3.23 4.81 -1.25 -3.25 118.16 121.13 2xdi n LYS 72 Ca 0.29 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.86 2xdi n LYS 72 Cb 0.89 -0.75 0.41 0.00 0.02 0.00 0.00 35.03 35.60 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 0.03 3.14 -1.24 -1.86 2.13 115.58 117.78 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 0.97 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.02 2xdi h ASN 73 CO 0.00 0.00 -0.02 -0.62 -1.29 0.00 0.00 177.43 175.50 2xdi n GLU 74 N -2.32 1.41 0.00 6.67 4.71 -1.26 -4.67 120.64 125.17 2xdi n GLU 74 Ca 0.05 -0.67 0.00 0.00 -0.01 0.00 0.00 57.16 56.52 2xdi n GLU 74 Cb 0.40 -1.49 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 -0.21 0.00 0.00 -0.32 -0.00 -1.11 -5.11 117.46 110.71 2xdi n PHE 75 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.64 2xdi n PHE 75 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.77 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 -0.08 1.09 3.55 7.13 0.00 0.72 -4.67 105.19 112.92 2xdi n GLY 76 Ca 0.00 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 1.37 0.96 -2.12 4.61 0.00 -1.20 -0.71 120.51 123.42 2xdi n ALA 77 Ca 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 53.44 52.71 2xdi n ALA 77 Cb 0.00 -3.03 -0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 6.05 0.20 0.00 0.00 0.00 -1.26 -4.84 105.19 105.34 2xdi n GLY 78 Ca 0.39 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.96 0.76 0.00 -0.61 3.06 0.11 -2.28 119.36 116.45 2xdi n ILE 79 Ca -0.05 0.19 0.00 0.00 -2.50 0.00 0.00 62.75 60.39 2xdi n ILE 79 Cb 0.54 -0.92 0.00 0.00 0.54 0.00 0.00 39.64 39.80 2xdi n ILE 79 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2xdi n ALA 80 N -1.41 1.71 -0.04 1.51 0.00 -1.26 -4.68 120.51 116.33 2xdi n ALA 80 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.46 2xdi n ALA 80 Cb 0.16 0.18 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.58 0.77 0.13 0.00 -2.24 -1.22 -3.10 114.28 107.04 2xdi n THR 81 Ca 0.00 0.33 0.18 0.00 -2.27 0.00 0.00 64.05 62.29 2xdi n THR 81 Cb 0.35 -1.96 0.65 0.00 -2.10 0.00 0.00 70.33 67.26 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 -0.53 0.17 -0.26 2.28 2.04 -1.78 0.86 117.51 120.29 2xdi h ILE 82 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2xdi h ILE 82 Cb 0.40 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 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 -3.30 2.30 0.00 -0.27 -2.24 -1.04 -4.90 114.28 104.84 2xdi n THR 83 Ca 0.07 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.92 2xdi n THR 83 Cb 0.74 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 -0.55 0.00 -3.49 -0.78 3.00 0.30 -4.82 116.66 110.31 2xdi n ARG 84 Ca 0.22 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.68 2xdi n ARG 84 Cb 0.90 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 33.32 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 2.11 4.25 3.18 5.14 0.00 -1.26 -4.96 105.19 113.64 2xdi n GLY 85 Ca 0.00 -2.61 -0.43 0.00 0.00 0.00 0.00 46.02 42.99 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 2.29 4.49 -3.80 1.61 7.64 -1.26 -4.97 113.62 119.62 2xdi n SER 86 Ca 0.23 -2.89 -0.30 0.00 1.01 0.00 0.00 58.87 56.92 2xdi n SER 86 Cb 0.37 -1.69 0.24 0.00 -1.01 0.00 0.00 64.21 62.12 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 3.60 0.76 0.00 6.43 -0.87 -1.26 -5.08 114.94 118.52 2xdi s ASN 87 Ca 0.50 0.66 0.00 0.00 -1.57 0.00 0.00 52.86 52.45 2xdi s ASN 87 Cb 0.08 -0.93 0.00 0.00 -0.02 0.00 0.00 41.25 40.39 2xdi s ASN 87 CO 0.00 -4.23 0.00 -1.20 -2.57 0.00 0.00 177.10 169.11 2xdi n SER 88 N -4.83 0.00 -0.29 -1.22 7.64 -1.26 -4.61 113.62 109.04 2xdi n SER 88 Ca 0.13 0.00 0.34 0.00 1.01 0.00 0.00 58.87 60.34 2xdi n SER 88 Cb 0.59 0.00 0.60 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.44 -3.43 -0.00 -1.98 2.23 115.31 109.70 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 -0.80 116.57 117.57 2xdi h LYS 90 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 2xdi h LYS 90 Cb 2.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.63 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 -2.01 2.38 -3.79 5.00 0.00 0.75 -5.03 120.51 117.81 2xdi n ALA 91 Ca -0.02 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.51 2xdi n ALA 91 Cb 0.09 -0.01 0.01 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.10 -2.71 -0.04 0.00 0.00 -0.31 -4.78 120.51 112.57 2xdi n ALA 92 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 53.44 52.97 2xdi n ALA 92 Cb 0.06 -1.62 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 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 -1.00 0.34 0.00 0.00 0.13 -1.87 -1.66 132.00 127.94 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 32.52 2xdi h PRO 93 CO 0.41 0.82 0.18 0.28 -0.23 0.00 0.00 178.00 179.46 2xdi h VAL 94 N -0.10 0.00 0.12 1.56 2.07 -1.94 0.55 116.25 118.51 2xdi h VAL 94 Ca 0.00 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.20 2xdi h VAL 94 Cb 0.81 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 2xdi h VAL 94 CO 0.05 0.00 -1.63 -0.08 0.02 0.00 0.00 177.57 175.93 2xdi h GLU 95 N 0.00 0.26 -0.21 1.57 4.81 -1.76 -3.04 114.58 116.21 2xdi h GLU 95 Ca 0.00 -0.44 -0.19 0.00 -0.13 0.00 0.00 59.36 58.60 2xdi h GLU 95 Cb 0.36 0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.91 2xdi h GLU 95 CO 0.00 1.12 -0.60 1.25 -0.73 0.00 0.00 179.01 180.05 2xdi h LEU 96 N 0.07 0.89 -1.34 1.64 7.12 0.67 -2.50 115.31 121.86 2xdi h LEU 96 Ca -0.28 -0.58 -0.02 0.00 0.13 0.00 0.00 57.88 57.13 2xdi h LEU 96 Cb 2.03 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.88 2xdi h LEU 96 CO 0.15 1.31 0.25 -0.09 -0.13 0.00 0.00 178.44 179.93 2xdi h ARG 97 N 0.51 0.70 0.26 1.25 2.43 -0.27 0.69 114.38 119.94 2xdi h ARG 97 Ca -0.02 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2xdi h ARG 97 Cb 1.22 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2xdi h ARG 97 CO 0.13 0.54 -0.12 1.96 -1.51 0.00 0.00 179.97 180.96 2xdi h GLN 98 N 0.70 -0.33 -0.69 0.20 1.08 -1.40 0.19 115.11 114.85 2xdi h GLN 98 Ca 0.18 0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.33 2xdi h GLN 98 Cb 0.06 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 2xdi h GLN 98 CO -0.03 -0.03 0.17 2.35 -0.95 0.00 0.00 178.83 180.34 2xdi h TRP 99 N -0.64 1.16 -0.69 2.96 -0.00 -1.17 -1.28 115.95 116.29 2xdi h TRP 99 Ca -0.04 -0.14 0.01 0.00 -0.00 0.00 0.00 58.89 58.73 2xdi h TRP 99 Cb 0.46 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 29.25 2xdi h TRP 99 CO 0.02 0.94 0.46 1.25 -0.00 0.00 0.00 178.44 181.11 2xdi h LEU 100 N 1.05 0.77 -1.22 0.65 5.85 0.50 0.15 115.31 123.06 2xdi h LEU 100 Ca 0.22 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2xdi h LEU 100 Cb 0.37 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2xdi h LEU 100 CO 0.00 0.55 -0.39 -0.08 -0.34 0.00 0.00 178.44 178.19 2xdi h GLU 101 N 0.91 0.00 0.00 1.25 4.81 0.36 -0.60 114.58 121.31 2xdi h GLU 101 Ca 0.26 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.26 2xdi h GLU 101 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 2xdi h GLU 101 CO -0.06 0.39 -0.95 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 0.24 2.25 114.58 124.48 2xdi h GLU 102 Ca -0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2xdi h GLU 102 Cb 0.70 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2xdi h GLU 102 CO 0.05 1.11 0.00 0.28 -1.00 0.00 0.00 179.01 179.45 2xdi h VAL 103 N 0.23 0.00 0.00 3.13 2.07 -0.35 -0.95 116.25 120.37 2xdi h VAL 103 Ca -0.08 -0.60 -0.32 0.00 0.82 0.00 0.00 66.70 66.52 2xdi h VAL 103 Cb 1.59 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.89 2xdi h VAL 103 CO 0.17 0.00 -2.20 -0.11 0.02 0.00 0.00 177.57 175.44 2xdi n LEU 104 N -3.06 0.74 -2.25 2.57 -0.00 -0.27 -4.32 117.00 110.40 2xdi n LEU 104 Ca 0.01 -0.03 -0.30 0.00 -0.00 0.00 0.00 56.01 55.70 2xdi n LEU 104 Cb 0.35 0.13 0.12 0.00 -0.00 0.00 0.00 43.42 44.02 2xdi n LEU 104 CO 0.28 0.54 1.34 -0.11 -0.00 0.00 0.00 177.39 179.44 2xdi n LEU 105 N -2.77 7.17 -4.67 -1.96 7.94 0.76 -4.96 117.00 118.51 2xdi n LEU 105 Ca -0.31 -4.01 -0.42 0.00 -1.11 0.00 0.00 56.01 50.16 2xdi n LEU 105 Cb 1.03 -0.90 -0.03 0.00 0.53 0.00 0.00 43.42 44.05 2xdi n LEU 105 CO 0.33 1.31 1.24 -0.75 -1.11 0.00 0.00 177.39 178.41 2xdi s LYS 106 N -3.59 4.22 0.06 1.96 2.20 -0.37 -4.82 119.74 119.39 2xdi s LYS 106 Ca 0.61 2.01 0.09 0.00 -0.36 0.00 0.00 55.97 58.32 2xdi s LYS 106 Cb 0.49 -3.82 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2xdi s LYS 106 CO 0.04 -0.74 -0.25 0.45 -0.36 0.00 0.00 175.35 174.48 2xdi s SER 107 N 2.61 3.28 0.00 1.43 0.15 -1.26 -5.09 113.70 114.82 2xdi s SER 107 Ca 0.66 -0.59 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2xdi s SER 107 Cb -0.30 -0.32 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 2xdi s SER 107 CO 0.25 0.25 0.19 -0.67 1.20 0.00 0.00 173.24 174.46