#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 3.18 -0.05 1.69 1.04 -1.26 -4.98 113.70 113.32 2xdi s SER 5 Ca 0.00 2.02 -0.08 0.00 0.48 0.00 0.00 55.95 58.37 2xdi s SER 5 Cb 0.00 -2.52 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 2xdi s SER 5 CO 0.00 -2.91 0.37 1.55 0.98 0.00 0.00 173.24 173.22 2xdi h PRO 6 N -1.74 -0.29 -5.90 4.02 0.13 -2.14 -3.45 132.00 122.64 2xdi h PRO 6 Ca -0.45 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.10 2xdi h PRO 6 Cb 1.26 0.06 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 2xdi h PRO 6 CO 0.45 -0.19 -0.22 -0.47 -0.23 0.00 0.00 178.00 177.34 2xdi s TYR 7 N -2.51 3.66 0.03 1.56 6.04 -1.26 -5.01 117.35 119.87 2xdi s TYR 7 Ca -0.04 0.92 -0.30 0.00 0.04 0.00 0.00 57.07 57.69 2xdi s TYR 7 Cb 0.00 -2.32 -0.17 0.00 -1.04 0.00 0.00 41.96 38.44 2xdi s TYR 7 CO 0.13 0.53 1.28 0.77 -1.54 0.00 0.00 175.55 176.73 2xdi h SER 8 N 5.24 -0.83 -5.39 4.32 0.02 -2.03 -3.48 113.55 111.41 2xdi h SER 8 Ca -0.49 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 2xdi h SER 8 Cb 1.21 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.96 2xdi h SER 8 CO 0.65 -0.48 -0.80 0.00 -1.14 0.00 0.00 176.83 175.06 2xdi n ALA 9 N -2.65 -3.10 -2.76 3.77 0.00 -1.26 -4.99 120.51 109.52 2xdi n ALA 9 Ca -0.13 0.75 -0.02 0.00 0.00 0.00 0.00 53.44 54.04 2xdi n ALA 9 Cb 0.40 -2.26 0.07 0.00 0.00 0.00 0.00 19.45 17.66 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 0.26 2.69 -2.00 0.00 0.00 -1.26 -5.05 120.51 115.15 2xdi n ALA 10 Ca 0.05 -2.26 0.00 0.00 0.00 0.00 0.00 53.44 51.23 2xdi n ALA 10 Cb 0.28 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2xdi n ALA 10 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2xdi n MET 11 N -0.78 0.00 -3.14 0.00 0.00 -1.26 -5.06 117.12 106.89 2xdi n MET 11 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.53 2xdi n MET 11 Cb 0.83 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 34.03 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 -3.00 1.78 0.39 -5.12 0.00 -1.26 -4.86 120.51 108.44 2xdi n ALA 12 Ca 0.00 -3.22 0.06 0.00 0.00 0.00 0.00 53.44 50.28 2xdi n ALA 12 Cb 0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 0.28 2.12 0.00 0.00 4.07 -1.26 -4.71 120.64 121.14 2xdi n GLU 13 Ca 0.23 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.29 2xdi n GLU 13 Cb 0.67 -1.15 0.00 0.00 -0.06 0.00 0.00 31.44 30.90 2xdi n GLU 13 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2xdi n GLN 14 N -1.50 0.60 -3.95 5.31 10.64 -1.26 -5.03 117.38 122.19 2xdi n GLN 14 Ca 0.01 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 54.91 2xdi n GLN 14 Cb 0.24 -0.94 -0.01 0.00 -0.86 0.00 0.00 30.24 28.67 2xdi n GLN 14 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2xdi n ARG 15 N -2.27 -3.68 -0.01 2.61 0.63 -1.26 -4.85 116.66 107.83 2xdi n ARG 15 Ca 0.00 0.45 0.11 0.00 -0.92 0.00 0.00 57.85 57.48 2xdi n ARG 15 Cb 0.44 -4.76 -0.16 0.00 0.45 0.00 0.00 32.46 28.43 2xdi n ARG 15 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2xdi n HIS 16 N -4.40 0.00 0.17 -0.14 8.25 -1.26 -4.19 115.22 113.64 2xdi n HIS 16 Ca -0.24 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.31 2xdi n HIS 16 Cb 0.65 -0.39 0.08 0.00 1.12 0.00 0.00 29.99 31.46 2xdi n HIS 16 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2xdi h GLN 17 N 0.00 0.00 0.00 -0.41 4.15 -2.02 -3.09 115.11 113.75 2xdi h GLN 17 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2xdi h GLN 17 Cb 0.88 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.57 2xdi h GLN 17 CO 0.00 0.14 0.00 0.93 -1.93 0.00 0.00 178.83 177.97 2xdi h GLU 18 N 0.00 0.00 0.00 1.69 3.07 -1.97 -2.67 114.58 114.70 2xdi h GLU 18 Ca -0.01 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2xdi h GLU 18 Cb 1.14 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.02 2xdi h GLU 18 CO 0.02 0.00 -0.79 2.35 -1.40 0.00 0.00 179.01 179.19 2xdi h TRP 19 N 0.00 0.00 0.07 4.33 2.91 -1.73 -2.60 115.95 118.93 2xdi h TRP 19 Ca 0.00 0.00 -0.24 0.00 1.13 0.00 0.00 58.89 59.78 2xdi h TRP 19 Cb 0.66 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.30 2xdi h TRP 19 CO 0.00 0.79 -1.09 -0.07 -1.03 0.00 0.00 178.44 177.04 2xdi h LEU 20 N 0.00 0.30 -1.27 0.65 3.38 -1.59 -2.71 115.31 114.07 2xdi h LEU 20 Ca -0.01 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.59 2xdi h LEU 20 Cb 1.44 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 2xdi h LEU 20 CO 0.10 1.19 -0.36 0.03 0.09 0.00 0.00 178.44 179.50 2xdi h ARG 21 N 0.07 0.02 0.21 1.13 3.08 -1.42 0.67 114.38 118.14 2xdi h ARG 21 Ca -0.08 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2xdi h ARG 21 Cb 1.81 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.86 2xdi h ARG 21 CO 0.17 0.37 -0.10 0.74 -1.07 0.00 0.00 179.97 180.09 2xdi h PHE 22 N 0.02 -0.26 -0.71 3.04 0.05 -1.41 0.60 116.94 118.26 2xdi h PHE 22 Ca -0.00 -0.01 0.01 0.00 3.82 0.00 0.00 57.97 61.79 2xdi h PHE 22 Cb 0.64 0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.64 2xdi h PHE 22 CO 0.00 0.08 0.47 -0.39 -0.18 0.00 0.00 178.31 178.30 2xdi h VAL 23 N -0.97 1.18 -0.25 -0.55 -1.51 -1.41 0.71 116.25 113.46 2xdi h VAL 23 Ca -0.03 -0.33 -0.15 0.00 -1.23 0.00 0.00 66.70 64.96 2xdi h VAL 23 Cb 0.45 0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.74 2xdi h VAL 23 CO 0.05 0.18 -0.44 -0.78 -1.23 0.00 0.00 177.57 175.35 2xdi h ASP 24 N 0.97 0.82 -0.19 4.19 -0.00 0.35 1.66 116.42 124.22 2xdi h ASP 24 Ca 0.26 -0.53 -0.05 0.00 -0.00 0.00 0.00 57.03 56.71 2xdi h ASP 24 Cb -0.11 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 38.98 2xdi h ASP 24 CO -0.06 1.19 -0.07 0.25 -0.00 0.00 0.00 179.24 180.56 2xdi h LEU 25 N 0.47 0.39 -0.08 2.28 6.46 0.92 0.24 115.31 126.00 2xdi h LEU 25 Ca 0.02 -0.39 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 2xdi h LEU 25 Cb 1.04 -0.11 -0.00 0.00 -0.73 0.00 0.00 40.66 40.86 2xdi h LEU 25 CO 0.10 0.69 0.00 0.25 -0.62 0.00 0.00 178.44 178.86 2xdi h LEU 26 N 0.08 0.13 -0.83 2.25 5.85 0.46 -1.45 115.31 121.80 2xdi h LEU 26 Ca 0.04 -0.30 0.14 0.00 0.84 0.00 0.00 57.88 58.61 2xdi h LEU 26 Cb 0.53 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.44 2xdi h LEU 26 CO 0.02 0.39 0.42 0.50 -0.34 0.00 0.00 178.44 179.43 2xdi h LYS 27 N -0.14 0.59 -0.01 1.25 3.64 0.26 0.98 116.57 123.13 2xdi h LYS 27 Ca 0.02 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2xdi h LYS 27 Cb 0.32 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2xdi h LYS 27 CO 0.00 0.39 -0.03 -0.91 -2.27 0.00 0.00 179.45 176.64 2xdi h ASN 28 N 0.61 0.01 0.10 4.20 4.21 -0.06 -1.41 115.58 123.24 2xdi h ASN 28 Ca 0.45 -0.00 -0.20 0.00 1.21 0.00 0.00 56.30 57.75 2xdi h ASN 28 Cb 0.62 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 2xdi h ASN 28 CO -0.35 0.04 -0.76 0.00 -1.29 0.00 0.00 177.43 175.07 2xdi h ALA 29 N 1.96 0.48 0.00 -0.83 0.00 0.20 -1.78 119.26 119.28 2xdi h ALA 29 Ca 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 2xdi h ALA 29 Cb 0.06 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2xdi h ALA 29 CO 0.00 0.73 -0.14 1.88 0.00 0.00 0.00 179.25 181.72 2xdi h TYR 30 N 0.38 0.00 0.00 0.00 -1.99 -0.04 0.16 116.97 115.48 2xdi h TYR 30 Ca -0.04 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 2xdi h TYR 30 Cb 1.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.07 2xdi h TYR 30 CO 0.06 0.14 -0.57 1.96 -0.00 0.00 0.00 178.16 179.76 2xdi h GLN 31 N 0.00 0.00 0.00 4.88 4.20 -1.21 -3.31 115.11 119.68 2xdi h GLN 31 Ca -0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2xdi h GLN 31 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2xdi h GLN 31 CO 0.02 1.00 0.00 0.09 -0.67 0.00 0.00 178.83 179.27 2xdi n ASN 32 N -4.52 0.00 0.00 1.46 4.13 -0.69 -4.83 115.26 110.81 2xdi n ASN 32 Ca -0.20 -1.38 0.00 0.00 1.68 0.00 0.00 54.58 54.68 2xdi n ASN 32 Cb 0.57 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.81 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 -0.77 -4.64 -1.85 6.41 8.00 -0.14 -4.82 116.55 118.74 2xdi n ASP 33 Ca 0.12 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.45 2xdi n ASP 33 Cb 0.06 -2.55 0.09 0.00 -0.02 0.00 0.00 41.12 38.70 2xdi n ASP 33 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2xdi n LEU 34 N 0.00 5.82 -0.04 0.64 4.77 -0.16 -4.05 117.00 123.97 2xdi n LEU 34 Ca 0.00 -3.06 -0.01 0.00 -0.03 0.00 0.00 56.01 52.91 2xdi n LEU 34 Cb 0.32 -0.81 -0.12 0.00 -2.33 0.00 0.00 43.42 40.48 2xdi n LEU 34 CO 0.00 0.99 -0.85 0.00 -1.33 0.00 0.00 177.39 176.20 2xdi n HIS 35 N -0.38 0.00 -0.34 -1.77 1.44 -1.02 -4.52 115.22 108.63 2xdi n HIS 35 Ca 0.38 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 56.09 2xdi n HIS 35 Cb 1.05 -0.56 0.04 0.00 0.12 0.00 0.00 29.99 30.64 2xdi n HIS 35 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2xdi n LEU 36 N -2.32 -0.57 0.23 2.39 0.00 -1.26 0.29 117.00 115.76 2xdi n LEU 36 Ca -0.15 1.56 0.07 0.00 0.00 0.00 0.00 56.01 57.50 2xdi n LEU 36 Cb 0.73 -0.36 0.55 0.00 0.00 0.00 0.00 43.42 44.34 2xdi n LEU 36 CO 0.31 -1.40 0.89 1.55 0.00 0.00 0.00 177.39 178.74 2xdi h PRO 37 N 0.00 0.00 0.00 1.96 0.13 -1.90 -0.38 132.00 131.81 2xdi h PRO 37 Ca 0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.45 2xdi h PRO 37 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 2xdi h PRO 37 CO -0.89 0.20 0.00 1.25 -0.23 0.00 0.00 178.00 178.33 2xdi h LEU 38 N 0.00 0.00 -0.10 1.56 6.46 0.40 -2.66 115.31 120.97 2xdi h LEU 38 Ca -0.00 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.55 2xdi h LEU 38 Cb 0.41 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2xdi h LEU 38 CO 0.03 0.00 -0.99 -0.07 -0.62 0.00 0.00 178.44 176.79 2xdi h LEU 39 N 0.00 0.13 0.13 2.25 3.38 0.15 0.54 115.31 121.89 2xdi h LEU 39 Ca 0.00 -0.12 -0.28 0.00 0.09 0.00 0.00 57.88 57.57 2xdi h LEU 39 Cb 0.85 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2xdi h LEU 39 CO 0.00 1.03 -1.28 -1.13 0.09 0.00 0.00 178.44 177.15 2xdi h ASN 40 N 0.03 0.44 0.70 -0.43 -1.24 -1.39 2.23 115.58 115.91 2xdi h ASN 40 Ca -0.04 -0.48 -0.23 0.00 0.71 0.00 0.00 56.30 56.26 2xdi h ASN 40 Cb 1.70 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.59 2xdi h ASN 40 CO 0.14 1.38 -1.04 -0.07 -1.29 0.00 0.00 177.43 176.55 2xdi h LEU 41 N 0.08 0.26 0.00 0.34 3.38 -1.53 -3.26 115.31 114.58 2xdi h LEU 41 Ca -0.15 -0.25 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 2xdi h LEU 41 Cb 1.98 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 42.63 2xdi h LEU 41 CO 0.20 1.14 -1.35 0.80 0.09 0.00 0.00 178.44 179.32 2xdi n MET 42 N -3.54 0.62 -3.77 1.13 1.56 0.18 -4.89 117.12 108.41 2xdi n MET 42 Ca -0.05 0.21 -0.14 0.00 -0.27 0.00 0.00 57.70 57.46 2xdi n MET 42 Cb 0.92 -1.81 -0.14 0.00 2.15 0.00 0.00 33.22 34.33 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 -5.71 1.01 0.00 -0.89 1.02 0.75 -4.67 118.68 110.19 2xdi s LEU 43 Ca -0.03 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.34 2xdi s LEU 43 Cb 0.09 0.26 0.00 0.00 0.02 0.00 0.00 46.19 46.56 2xdi s LEU 43 CO 0.81 -0.12 0.00 0.41 0.02 0.00 0.00 176.35 177.47 2xdi n THR 44 N 3.93 0.00 0.07 5.49 -1.04 -1.26 -3.42 114.28 118.05 2xdi n THR 44 Ca -0.24 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.74 2xdi n THR 44 Cb 0.53 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.02 2xdi n THR 44 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2xdi h PRO 45 N 0.00 -0.22 0.00 -2.82 0.13 -1.93 -3.43 132.00 123.73 2xdi h PRO 45 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 2xdi h PRO 45 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 2xdi h PRO 45 CO 0.00 -0.14 -0.61 -3.47 -0.23 0.00 0.00 178.00 173.55 2xdi n ASP 46 N -3.71 3.05 0.23 1.44 4.64 -1.26 -4.56 116.55 116.38 2xdi n ASP 46 Ca -0.03 0.00 -0.12 0.00 -1.38 0.00 0.00 54.79 53.26 2xdi n ASP 46 Cb 0.09 0.43 -0.06 0.00 -1.04 0.00 0.00 41.12 40.53 2xdi n ASP 46 CO 0.00 0.00 0.00 -0.33 -0.82 0.00 0.00 177.20 176.05 2xdi h GLU 47 N 0.00 -0.67 -0.96 -0.67 5.08 -1.86 1.69 114.58 117.19 2xdi h GLU 47 Ca 0.00 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2xdi h GLU 47 Cb 0.37 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 29.70 2xdi h GLU 47 CO 0.00 -0.45 0.62 -0.09 -1.00 0.00 0.00 179.01 178.09 2xdi h ARG 48 N -0.70 1.01 -0.20 2.33 1.12 -1.83 1.64 114.38 117.75 2xdi h ARG 48 Ca -0.05 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.75 2xdi h ARG 48 Cb 0.57 -0.23 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2xdi h ARG 48 CO 0.02 0.67 0.11 1.49 -3.11 0.00 0.00 179.97 179.15 2xdi h GLU 49 N 1.04 0.27 -0.06 0.20 4.22 -1.65 -1.95 114.58 116.64 2xdi h GLU 49 Ca 0.44 -0.03 -0.17 0.00 0.08 0.00 0.00 59.36 59.68 2xdi h GLU 49 Cb 0.32 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2xdi h GLU 49 CO -0.19 0.25 -0.69 0.00 -2.18 0.00 0.00 179.01 176.19 2xdi h ALA 50 N 1.01 0.71 -1.34 2.92 0.00 0.39 -2.31 119.26 120.64 2xdi h ALA 50 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2xdi h ALA 50 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2xdi h ALA 50 CO -0.01 0.78 0.00 -0.11 0.00 0.00 0.00 179.25 179.91 2xdi n LEU 51 N -3.82 0.00 -0.34 0.00 7.94 0.55 0.26 117.00 121.59 2xdi n LEU 51 Ca -0.03 0.78 0.29 0.00 -1.11 0.00 0.00 56.01 55.93 2xdi n LEU 51 Cb 0.68 -0.28 0.61 0.00 0.53 0.00 0.00 43.42 44.97 2xdi n LEU 51 CO 0.46 -0.28 1.26 1.23 -1.11 0.00 0.00 177.39 178.95 2xdi h GLY 52 N 0.00 0.78 0.98 -3.96 0.00 -1.49 0.26 103.07 99.63 2xdi h GLY 52 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2xdi h GLY 52 CO 0.00 -0.11 0.01 -0.84 0.00 0.00 0.00 176.54 175.59 2xdi h THR 53 N 0.22 1.02 0.56 4.70 2.02 -0.83 -1.64 112.91 118.96 2xdi h THR 53 Ca 0.61 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.72 2xdi h THR 53 Cb 1.90 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2xdi h THR 53 CO -0.20 0.01 -0.32 0.03 0.37 0.00 0.00 175.52 175.41 2xdi h ARG 54 N -0.00 -0.80 -0.56 6.66 -0.00 0.33 0.93 114.38 120.94 2xdi h ARG 54 Ca 0.00 0.05 0.16 0.00 -0.50 0.00 0.00 59.98 59.70 2xdi h ARG 54 Cb 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 29.97 30.15 2xdi h ARG 54 CO -0.00 -0.53 0.69 0.28 0.00 0.00 0.00 179.97 180.40 2xdi h VAL 55 N -0.83 0.22 0.00 2.04 2.07 -1.30 0.62 116.25 119.06 2xdi h VAL 55 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2xdi h VAL 55 Cb 0.67 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2xdi h VAL 55 CO 0.08 0.00 -0.15 -0.09 0.02 0.00 0.00 177.57 177.44 2xdi h ARG 56 N 0.00 0.00 -0.73 1.57 2.43 -0.05 -2.08 114.38 115.52 2xdi h ARG 56 Ca 0.27 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.58 2xdi h ARG 56 Cb 1.64 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 31.10 2xdi h ARG 56 CO -0.00 0.00 0.26 -0.84 -1.51 0.00 0.00 179.97 177.88 2xdi h ILE 57 N -0.79 0.63 -0.23 1.20 3.07 -0.22 1.33 117.51 122.50 2xdi h ILE 57 Ca 0.00 -0.14 -0.05 0.00 1.55 0.00 0.00 64.86 66.23 2xdi h ILE 57 Cb 0.15 0.20 -0.01 0.00 -0.27 0.00 0.00 36.82 36.89 2xdi h ILE 57 CO 0.00 0.07 -0.03 0.58 -1.05 0.00 0.00 178.15 177.72 2xdi h VAL 58 N 0.40 1.27 -0.38 0.16 2.07 -1.06 -0.26 116.25 118.45 2xdi h VAL 58 Ca 0.40 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 2xdi h VAL 58 Cb 0.62 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2xdi h VAL 58 CO -0.42 0.31 0.02 -0.08 0.02 0.00 0.00 177.57 177.41 2xdi h GLU 59 N 0.18 0.66 0.00 1.57 4.81 -0.44 -2.17 114.58 119.19 2xdi h GLU 59 Ca 0.06 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 2xdi h GLU 59 Cb 0.47 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2xdi h GLU 59 CO 0.02 0.75 0.00 0.39 -0.73 0.00 0.00 179.01 179.44 2xdi n GLU 60 N -4.49 0.13 0.06 1.92 1.02 0.44 0.20 120.64 119.93 2xdi n GLU 60 Ca -0.01 0.35 -0.13 0.00 -0.02 0.00 0.00 57.16 57.34 2xdi n GLU 60 Cb 0.27 -1.74 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 2xdi n GLU 60 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2xdi h LEU 61 N 0.00 0.26 -0.53 -4.62 -0.00 -0.43 2.56 115.31 112.55 2xdi h LEU 61 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 2xdi h LEU 61 Cb 0.35 -0.08 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2xdi h LEU 61 CO 0.00 1.28 -0.66 -0.11 -0.00 0.00 0.00 178.44 178.95 2xdi n LEU 62 N -3.38 1.49 -0.84 1.67 7.94 -0.89 -4.49 117.00 118.49 2xdi n LEU 62 Ca -0.12 -0.59 -0.03 0.00 -1.11 0.00 0.00 56.01 54.16 2xdi n LEU 62 Cb 1.02 -0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.92 2xdi n LEU 62 CO 0.49 0.30 0.28 -1.14 -1.11 0.00 0.00 177.39 176.21 2xdi n ARG 63 N -0.71 0.00 -2.68 1.96 3.00 0.55 -4.95 116.66 113.83 2xdi n ARG 63 Ca 0.07 -0.76 -0.08 0.00 -0.00 0.00 0.00 57.85 57.08 2xdi n ARG 63 Cb 0.40 0.19 0.03 0.00 0.00 0.00 0.00 32.46 33.08 2xdi n ARG 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2xdi n GLY 64 N 0.05 1.70 0.16 5.14 0.00 0.86 -4.60 105.19 108.50 2xdi n GLY 64 Ca -0.12 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.15 2.50 -0.95 1.61 0.28 -1.14 -4.56 120.64 118.23 2xdi n GLU 65 Ca 0.10 -0.47 -0.16 0.00 -0.16 0.00 0.00 57.16 56.47 2xdi n GLU 65 Cb 0.81 -1.01 -0.12 0.00 1.43 0.00 0.00 31.44 32.55 2xdi n GLU 65 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 2xdi n MET 66 N -0.42 2.12 0.00 3.44 1.56 -1.26 -3.23 117.12 119.33 2xdi n MET 66 Ca 0.03 -1.14 0.00 0.00 -0.27 0.00 0.00 57.70 56.32 2xdi n MET 66 Cb 0.17 -2.12 0.00 0.00 2.15 0.00 0.00 33.22 33.42 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 2.81 0.00 -0.26 6.12 2.88 -1.26 -5.00 113.62 118.91 2xdi n SER 67 Ca 0.45 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 58.13 2xdi n SER 67 Cb 0.69 0.00 0.26 0.00 -0.75 0.00 0.00 64.21 64.41 2xdi n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2xdi n GLN 68 N 0.00 -0.06 -0.50 -1.46 6.02 -1.20 0.22 117.38 120.40 2xdi n GLN 68 Ca 0.00 1.12 0.43 0.00 -0.01 0.00 0.00 57.00 58.54 2xdi n GLN 68 Cb 0.00 -1.82 0.78 0.00 1.02 0.00 0.00 30.24 30.22 2xdi n GLN 68 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2xdi h ARG 69 N 0.00 0.01 0.00 -1.09 1.12 -1.95 -0.05 114.38 112.42 2xdi h ARG 69 Ca 0.49 -0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 59.17 2xdi h ARG 69 Cb 1.09 -0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.01 2xdi h ARG 69 CO -0.69 0.01 -1.75 -1.91 -3.11 0.00 0.00 179.97 172.52 2xdi n GLU 70 N -4.09 2.14 0.31 0.20 2.13 0.58 -4.42 120.64 117.49 2xdi n GLU 70 Ca 0.34 -0.01 0.20 0.00 0.66 0.00 0.00 57.16 58.36 2xdi n GLU 70 Cb 1.59 -1.28 0.96 0.00 0.27 0.00 0.00 31.44 32.98 2xdi n GLU 70 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2xdi h LEU 71 N 0.00 0.00 0.00 4.31 6.46 0.45 -1.98 115.31 124.55 2xdi h LEU 71 Ca -0.29 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.32 2xdi h LEU 71 Cb 1.64 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.55 2xdi h LEU 71 CO 0.02 0.00 -1.00 0.07 -0.62 0.00 0.00 178.44 176.91 2xdi h LYS 72 N 0.00 0.00 -0.46 1.25 2.10 -1.34 -3.26 116.57 114.86 2xdi h LYS 72 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2xdi h LYS 72 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2xdi h LYS 72 CO 0.00 0.47 0.00 -1.71 -2.00 0.00 0.00 179.45 176.21 2xdi n ASN 73 N -3.09 2.35 -0.14 7.07 2.85 -0.76 -1.85 115.26 121.70 2xdi n ASN 73 Ca -0.04 -2.08 0.10 0.00 -0.11 0.00 0.00 54.58 52.45 2xdi n ASN 73 Cb 0.82 -0.32 0.15 0.00 1.24 0.00 0.00 39.78 41.67 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2xdi n GLU 74 N 0.61 1.43 0.04 1.20 4.07 -1.15 -4.84 120.64 122.00 2xdi n GLU 74 Ca 0.14 -2.59 0.00 0.00 -0.06 0.00 0.00 57.16 54.64 2xdi n GLU 74 Cb 0.40 -1.52 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 2xdi n GLU 74 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2xdi n PHE 75 N -1.36 -2.03 -1.63 4.31 7.35 -1.24 -5.08 117.46 117.79 2xdi n PHE 75 Ca 0.16 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 57.14 2xdi n PHE 75 Cb 0.66 0.95 0.00 0.00 0.35 0.00 0.00 39.48 41.44 2xdi n PHE 75 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2xdi n GLY 76 N -1.20 -4.10 3.54 7.13 0.00 -0.77 -4.60 105.19 105.18 2xdi n GLY 76 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.92 0.00 0.00 4.61 0.00 -1.26 -4.64 120.51 117.30 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 0.28 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -2.00 0.00 1.65 0.00 0.00 -1.26 -4.60 105.19 98.97 2xdi n GLY 78 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.38 2.25 0.00 -0.61 2.08 -1.26 -4.10 119.36 116.34 2xdi n ILE 79 Ca 0.00 -1.15 0.00 0.00 0.56 0.00 0.00 62.75 62.16 2xdi n ILE 79 Cb 0.12 -0.36 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 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 0.35 1.75 0.29 -1.39 0.00 -1.26 -4.66 120.51 115.58 2xdi n ALA 80 Ca 0.25 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.85 2xdi n ALA 80 Cb 1.05 0.20 0.76 0.00 0.00 0.00 0.00 19.45 21.46 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 0.00 0.18 0.00 2.02 -1.82 0.34 112.91 113.63 2xdi h THR 81 Ca 0.00 -0.16 -0.30 0.00 0.77 0.00 0.00 66.41 66.72 2xdi h THR 81 Cb 0.72 0.94 0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2xdi h THR 81 CO 0.00 0.00 -1.34 0.40 0.37 0.00 0.00 175.52 174.95 2xdi h ILE 82 N 0.00 1.41 -0.15 3.11 2.04 -1.83 -3.33 117.51 118.77 2xdi h ILE 82 Ca 0.00 -2.92 -0.03 0.00 1.00 0.00 0.00 64.86 62.91 2xdi h ILE 82 Cb 0.19 2.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 2xdi h ILE 82 CO 0.00 0.86 -0.06 1.07 0.00 0.00 0.00 178.15 180.03 2xdi n THR 83 N -3.61 2.16 0.00 -0.27 5.66 -0.85 -4.72 114.28 112.65 2xdi n THR 83 Ca -0.12 -2.28 0.00 0.00 -3.05 0.00 0.00 64.05 58.60 2xdi n THR 83 Cb 1.06 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 2xdi n THR 83 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2xdi n ARG 84 N -1.02 0.00 -3.24 1.09 1.74 0.11 -4.52 116.66 110.82 2xdi n ARG 84 Ca 0.21 0.22 -0.30 0.00 -0.77 0.00 0.00 57.85 57.20 2xdi n ARG 84 Cb 0.79 -0.92 -0.05 0.00 -1.02 0.00 0.00 32.46 31.26 2xdi n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xdi n GLY 85 N 1.06 5.08 3.82 -0.13 0.00 -1.26 -5.07 105.19 108.69 2xdi n GLY 85 Ca 0.00 -2.75 -0.33 0.00 0.00 0.00 0.00 46.02 42.94 2xdi n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xdi s SER 86 N -2.49 6.54 0.05 1.61 0.15 -1.26 -5.06 113.70 113.23 2xdi s SER 86 Ca 0.40 1.74 0.09 0.00 0.70 0.00 0.00 55.95 58.88 2xdi s SER 86 Cb 0.16 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.90 2xdi s SER 86 CO -0.02 -0.64 -0.24 0.20 1.20 0.00 0.00 173.24 173.74 2xdi s ASN 87 N -2.43 3.37 -0.01 5.45 -0.87 -1.26 -5.02 114.94 114.18 2xdi s ASN 87 Ca 0.63 -0.55 0.15 0.00 -1.57 0.00 0.00 52.86 51.52 2xdi s ASN 87 Cb -0.12 -0.38 -0.19 0.00 -0.02 0.00 0.00 41.25 40.53 2xdi s ASN 87 CO 0.23 0.25 0.52 -0.24 -2.57 0.00 0.00 177.10 175.29 2xdi n SER 88 N 1.65 0.99 0.00 -1.22 2.88 -1.26 -4.59 113.62 112.07 2xdi n SER 88 Ca -0.17 -0.53 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 2xdi n SER 88 Cb 0.52 1.27 0.00 0.00 -0.75 0.00 0.00 64.21 65.25 2xdi n SER 88 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2xdi n LEU 89 N -1.62 0.00 -0.12 2.46 0.00 -1.26 -4.16 117.00 112.30 2xdi n LEU 89 Ca 0.01 -0.07 0.05 0.00 0.00 0.00 0.00 56.01 56.00 2xdi n LEU 89 Cb 0.30 0.00 0.27 0.00 0.00 0.00 0.00 43.42 43.99 2xdi n LEU 89 CO 0.31 0.00 0.68 1.17 0.00 0.00 0.00 177.39 179.55 2xdi n LYS 90 N -1.01 1.15 0.00 1.96 4.81 -1.26 -3.68 118.16 120.12 2xdi n LYS 90 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.21 2xdi n LYS 90 Cb 0.00 -1.18 0.00 0.00 0.02 0.00 0.00 35.03 33.87 2xdi n LYS 90 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2xdi n ALA 91 N -0.44 0.00 -3.96 3.14 0.00 -1.26 -5.03 120.51 112.96 2xdi n ALA 91 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.26 2xdi n ALA 91 Cb 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.52 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 0.00 -1.96 -0.07 0.00 0.00 -1.24 -4.84 120.51 112.40 2xdi n ALA 92 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 2xdi n ALA 92 Cb 0.15 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 -1.82 0.84 -0.12 0.00 0.13 -1.87 -2.21 132.00 126.94 2xdi h PRO 93 Ca -0.63 -0.51 0.04 0.00 -0.87 0.00 0.00 66.00 64.03 2xdi h PRO 93 Cb 1.38 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 2xdi h PRO 93 CO 0.63 1.14 0.36 0.28 -0.23 0.00 0.00 178.00 180.18 2xdi h VAL 94 N 0.65 0.12 0.01 1.56 2.07 -1.88 0.77 116.25 119.55 2xdi h VAL 94 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2xdi h VAL 94 Cb 1.11 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2xdi h VAL 94 CO 0.11 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 177.62 2xdi h GLU 95 N 0.00 -0.01 -0.43 1.57 4.81 -1.75 -2.94 114.58 115.83 2xdi h GLU 95 Ca 0.06 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2xdi h GLU 95 Cb 0.78 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2xdi h GLU 95 CO -0.00 0.80 -0.04 1.25 -0.73 0.00 0.00 179.01 180.30 2xdi h LEU 96 N -0.92 0.69 -0.60 1.64 7.12 -0.84 -2.45 115.31 119.94 2xdi h LEU 96 Ca -0.00 -0.17 0.09 0.00 0.13 0.00 0.00 57.88 57.93 2xdi h LEU 96 Cb 0.82 -0.18 -0.07 0.00 -0.53 0.00 0.00 40.66 40.70 2xdi h LEU 96 CO 0.00 0.78 0.22 -0.09 -0.13 0.00 0.00 178.44 179.22 2xdi h ARG 97 N 0.67 0.38 0.20 1.25 2.43 0.37 1.18 114.38 120.85 2xdi h ARG 97 Ca 0.13 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2xdi h ARG 97 Cb 0.46 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2xdi h ARG 97 CO 0.02 0.25 -0.11 1.96 -1.51 0.00 0.00 179.97 180.59 2xdi h GLN 98 N 0.39 -0.27 -0.62 0.20 1.08 -1.25 0.56 115.11 115.19 2xdi h GLN 98 Ca 0.30 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.53 2xdi h GLN 98 Cb 0.38 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 2xdi h GLN 98 CO -0.31 -0.18 0.41 2.35 -0.95 0.00 0.00 178.83 180.15 2xdi h TRP 99 N -0.28 0.78 -0.99 2.96 -0.00 -0.94 -1.35 115.95 116.13 2xdi h TRP 99 Ca -0.02 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.89 2xdi h TRP 99 Cb 0.23 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.16 29.07 2xdi h TRP 99 CO -0.07 0.49 0.65 1.25 -0.00 0.00 0.00 178.44 180.75 2xdi h LEU 100 N 0.84 1.14 -1.69 0.65 5.85 0.19 -0.78 115.31 121.50 2xdi h LEU 100 Ca 0.23 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2xdi h LEU 100 Cb -0.09 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.63 2xdi h LEU 100 CO -0.05 0.83 0.29 -0.33 -0.34 0.00 0.00 178.44 178.84 2xdi h GLU 101 N 1.34 0.38 -0.15 1.25 5.08 0.12 0.33 114.58 122.94 2xdi h GLU 101 Ca 0.36 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.64 2xdi h GLU 101 Cb -0.14 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 2xdi h GLU 101 CO -0.08 0.25 -0.14 1.49 -1.00 0.00 0.00 179.01 179.54 2xdi h GLU 102 N 0.39 0.35 0.00 2.33 4.57 -0.45 2.03 114.58 123.80 2xdi h GLU 102 Ca 0.18 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2xdi h GLU 102 Cb 0.23 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 2xdi h GLU 102 CO -0.04 0.73 0.00 0.28 -1.18 0.00 0.00 179.01 178.80 2xdi h VAL 103 N -0.02 0.00 0.03 0.32 2.07 -0.85 -0.27 116.25 117.54 2xdi h VAL 103 Ca 0.02 -0.47 -0.36 0.00 0.82 0.00 0.00 66.70 66.72 2xdi h VAL 103 Cb 0.67 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 2xdi h VAL 103 CO 0.03 0.00 -2.15 -0.11 0.02 0.00 0.00 177.57 175.37 2xdi n LEU 104 N -2.88 1.67 -1.15 2.57 0.00 0.11 -4.01 117.00 113.30 2xdi n LEU 104 Ca 0.01 0.12 0.05 0.00 0.00 0.00 0.00 56.01 56.19 2xdi n LEU 104 Cb 0.30 -0.37 0.23 0.00 0.00 0.00 0.00 43.42 43.58 2xdi n LEU 104 CO 0.26 0.68 0.65 0.18 0.00 0.00 0.00 177.39 179.16 2xdi n LEU 105 N -3.14 3.32 -4.63 -1.96 4.77 0.69 -4.90 117.00 111.14 2xdi n LEU 105 Ca -0.32 -1.68 -0.43 0.00 -0.03 0.00 0.00 56.01 53.55 2xdi n LEU 105 Cb 1.06 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 2xdi n LEU 105 CO 0.39 0.53 1.64 -0.75 -1.33 0.00 0.00 177.39 177.88 2xdi s LYS 106 N -1.81 3.65 -0.19 3.23 2.47 -0.12 -4.87 119.74 122.10 2xdi s LYS 106 Ca 0.32 2.14 -0.18 0.00 -1.56 0.00 0.00 55.97 56.69 2xdi s LYS 106 Cb 0.22 -4.22 -0.15 0.00 -1.46 0.00 0.00 37.83 32.22 2xdi s LYS 106 CO 0.14 -1.50 0.11 1.03 0.16 0.00 0.00 175.35 175.29 2xdi h SER 107 N 12.42 0.00 -0.01 1.43 0.87 -1.90 -3.51 113.55 122.86 2xdi h SER 107 Ca -0.42 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 59.76 2xdi h SER 107 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2xdi h SER 107 CO 0.96 1.29 0.00 0.47 -0.53 0.00 0.00 176.83 179.03