#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xdi h SER 5 N 0.00 -0.52 -2.34 1.69 0.87 -2.14 -3.45 113.55 107.66 2xdi h SER 5 Ca 0.00 0.02 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 2xdi h SER 5 Cb 0.00 0.13 0.07 0.00 -0.44 0.00 0.00 62.40 62.17 2xdi h SER 5 CO 0.00 -0.21 0.07 -0.81 -0.53 0.00 0.00 176.83 175.35 2xdi n PRO 6 N -4.55 -1.53 0.00 2.24 -0.04 -1.26 -5.06 135.00 124.80 2xdi n PRO 6 Ca -0.08 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 2xdi n PRO 6 Cb 0.24 -0.61 0.00 0.00 -0.04 0.00 0.00 33.50 33.09 2xdi n PRO 6 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2xdi n TYR 7 N -3.26 0.00 -3.65 0.54 4.02 -1.26 -5.13 117.16 108.42 2xdi n TYR 7 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.86 2xdi n TYR 7 Cb 0.23 0.34 -0.08 0.00 -0.02 0.00 0.00 39.34 39.81 2xdi n TYR 7 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2xdi s SER 8 N -3.91 -0.82 -0.13 7.72 0.15 -1.26 -5.14 113.70 110.31 2xdi s SER 8 Ca 0.00 1.37 -0.20 0.00 0.70 0.00 0.00 55.95 57.83 2xdi s SER 8 Cb 0.00 1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 65.56 2xdi s SER 8 CO 0.00 -0.23 0.56 0.00 1.20 0.00 0.00 173.24 174.77 2xdi s ALA 9 N 1.28 3.46 -0.43 5.45 0.00 -1.26 -4.99 121.76 125.27 2xdi s ALA 9 Ca -0.07 -0.14 0.08 0.00 0.00 0.00 0.00 51.96 51.82 2xdi s ALA 9 Cb -0.05 -2.80 0.26 0.00 0.00 0.00 0.00 23.12 20.53 2xdi s ALA 9 CO -0.14 -0.16 0.68 0.00 0.00 0.00 0.00 175.76 176.14 2xdi n ALA 10 N 4.04 0.98 1.01 0.00 0.00 -1.26 -4.92 120.51 120.35 2xdi n ALA 10 Ca -0.04 -2.65 0.11 0.00 0.00 0.00 0.00 53.44 50.85 2xdi n ALA 10 Cb 0.51 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 2xdi n ALA 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2xdi n MET 11 N 1.38 0.52 0.00 0.00 2.81 -1.26 -4.98 117.12 115.59 2xdi n MET 11 Ca 0.17 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.63 2xdi n MET 11 Cb 0.58 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 2xdi n MET 11 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2xdi n ALA 12 N -0.87 0.00 -0.61 3.04 0.00 -1.26 -4.71 120.51 116.10 2xdi n ALA 12 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2xdi n ALA 12 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 0.00 -0.16 0.00 2.13 -1.26 -2.68 120.64 118.67 2xdi n GLU 13 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2xdi n GLU 13 Cb 0.00 0.00 0.13 0.00 0.27 0.00 0.00 31.44 31.84 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 0.00 1.71 0.28 5.31 7.27 -1.26 -4.13 117.38 126.57 2xdi n GLN 14 Ca 0.00 -1.05 0.18 0.00 0.07 0.00 0.00 57.00 56.19 2xdi n GLN 14 Cb 0.00 -1.25 0.95 0.00 2.41 0.00 0.00 30.24 32.35 2xdi n GLN 14 CO 0.00 0.00 0.00 0.07 0.07 0.00 0.00 177.06 177.20 2xdi h ARG 15 N 1.69 0.00 0.00 3.69 0.11 -1.87 0.15 114.38 118.15 2xdi h ARG 15 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2xdi h ARG 15 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2xdi h ARG 15 CO 0.01 0.00 0.00 1.58 0.10 0.00 0.00 179.97 181.66 2xdi n HIS 16 N -2.78 0.00 0.08 4.08 -0.00 -1.26 -2.61 115.22 112.74 2xdi n HIS 16 Ca -0.02 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.02 2xdi n HIS 16 Cb 0.12 -0.29 -0.07 0.00 -0.12 0.00 0.00 29.99 29.62 2xdi n HIS 16 CO 0.00 0.00 0.00 0.37 0.46 0.00 0.00 176.34 177.17 2xdi h GLN 17 N 0.00 0.35 0.00 1.57 4.15 -1.04 -2.95 115.11 117.19 2xdi h GLN 17 Ca 0.00 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2xdi h GLN 17 Cb 0.16 0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2xdi h GLN 17 CO 0.00 1.13 0.00 -0.85 -1.93 0.00 0.00 178.83 177.18 2xdi n GLU 18 N -3.67 0.07 -0.00 1.69 0.28 -1.07 -1.91 120.64 116.02 2xdi n GLU 18 Ca -0.07 0.34 -0.17 0.00 -0.16 0.00 0.00 57.16 57.10 2xdi n GLU 18 Cb 0.90 -1.64 -0.13 0.00 1.43 0.00 0.00 31.44 31.99 2xdi n GLU 18 CO 0.00 0.00 0.00 2.35 -0.16 0.00 0.00 177.13 179.32 2xdi h TRP 19 N 0.00 0.33 -0.58 -1.84 -0.00 -1.66 -2.64 115.95 109.56 2xdi h TRP 19 Ca 0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 58.89 58.59 2xdi h TRP 19 Cb 0.26 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.16 29.37 2xdi h TRP 19 CO 0.00 1.14 0.07 -0.07 -0.00 0.00 0.00 178.44 179.57 2xdi h LEU 20 N -0.57 0.95 -1.17 0.65 3.38 -1.53 0.24 115.31 117.26 2xdi h LEU 20 Ca -0.07 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.73 2xdi h LEU 20 Cb 1.31 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 2xdi h LEU 20 CO 0.08 0.98 0.59 0.03 0.09 0.00 0.00 178.44 180.22 2xdi h ARG 21 N 0.88 0.86 0.07 1.13 3.08 -1.45 1.76 114.38 120.71 2xdi h ARG 21 Ca 0.17 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.89 2xdi h ARG 21 Cb 0.46 -0.19 0.03 0.00 0.08 0.00 0.00 29.97 30.34 2xdi h ARG 21 CO 0.02 0.57 -1.13 0.35 -1.07 0.00 0.00 179.97 178.71 2xdi h PHE 22 N 0.89 0.99 -0.22 3.04 3.57 -0.99 0.12 116.94 124.34 2xdi h PHE 22 Ca 0.43 -0.59 -0.08 0.00 3.53 0.00 0.00 57.97 61.26 2xdi h PHE 22 Cb 0.45 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 2xdi h PHE 22 CO -0.00 1.43 -0.20 0.28 -2.23 0.00 0.00 178.31 177.59 2xdi h VAL 23 N 0.28 1.24 0.10 1.41 2.07 0.90 -0.12 116.25 122.12 2xdi h VAL 23 Ca -0.16 -1.10 -0.20 0.00 0.82 0.00 0.00 66.70 66.06 2xdi h VAL 23 Cb 1.80 1.30 0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2xdi h VAL 23 CO 0.22 0.35 -0.85 -0.78 0.02 0.00 0.00 177.57 176.52 2xdi h ASP 24 N 0.35 0.58 -0.02 0.57 1.82 0.27 0.38 116.42 120.36 2xdi h ASP 24 Ca 0.06 -0.87 -0.00 0.00 -0.39 0.00 0.00 57.03 55.83 2xdi h ASP 24 Cb 0.56 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 2xdi h ASP 24 CO 0.04 1.39 0.01 -0.07 -1.61 0.00 0.00 179.24 179.00 2xdi h LEU 25 N -0.15 0.02 0.33 2.28 -0.00 -0.63 0.90 115.31 118.07 2xdi h LEU 25 Ca -0.13 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.63 2xdi h LEU 25 Cb 1.61 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 42.27 2xdi h LEU 25 CO 0.16 0.11 -0.16 0.25 -0.00 0.00 0.00 178.44 178.81 2xdi h LEU 26 N -0.07 -0.38 -0.95 1.67 5.85 -1.10 0.48 115.31 120.81 2xdi h LEU 26 Ca 0.01 -0.02 0.15 0.00 0.84 0.00 0.00 57.88 58.85 2xdi h LEU 26 Cb 0.10 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 2xdi h LEU 26 CO -0.00 -0.22 0.57 0.50 -0.34 0.00 0.00 178.44 178.94 2xdi h LYS 27 N -0.50 0.80 -0.25 1.25 3.64 -0.74 0.78 116.57 121.54 2xdi h LYS 27 Ca -0.05 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 2xdi h LYS 27 Cb 0.38 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2xdi h LYS 27 CO 0.07 0.53 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.78 2xdi h ASN 28 N 0.82 0.38 0.80 4.20 2.35 0.17 -0.10 115.58 124.20 2xdi h ASN 28 Ca 0.51 -0.08 -0.17 0.00 -0.55 0.00 0.00 56.30 56.00 2xdi h ASN 28 Cb 0.64 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 2xdi h ASN 28 CO -0.32 0.52 -0.82 0.00 -1.65 0.00 0.00 177.43 175.16 2xdi h ALA 29 N 1.52 0.65 -0.00 -0.83 0.00 0.52 -2.74 119.26 118.38 2xdi h ALA 29 Ca 0.08 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2xdi h ALA 29 Cb 0.41 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2xdi h ALA 29 CO 0.02 1.01 -0.09 0.66 0.00 0.00 0.00 179.25 180.85 2xdi n TYR 30 N -3.58 0.00 -0.05 0.00 0.53 0.21 -2.01 117.16 112.26 2xdi n TYR 30 Ca -0.01 0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.77 2xdi n TYR 30 Cb 0.78 -0.42 -0.15 0.00 -1.03 0.00 0.00 39.34 38.52 2xdi n TYR 30 CO 0.00 0.00 0.00 0.94 -1.02 0.00 0.00 176.86 176.78 2xdi n GLN 31 N -1.46 0.66 0.04 -0.72 7.27 -0.12 -4.22 117.38 118.83 2xdi n GLN 31 Ca 0.08 0.18 0.11 0.00 0.07 0.00 0.00 57.00 57.44 2xdi n GLN 31 Cb 0.33 -1.68 -0.01 0.00 2.41 0.00 0.00 30.24 31.28 2xdi n GLN 31 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2xdi n ASN 32 N -2.97 0.58 0.00 1.69 5.03 -1.05 -4.94 115.26 113.60 2xdi n ASN 32 Ca -0.24 -0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.17 2xdi n ASN 32 Cb 1.09 0.89 0.00 0.00 -1.02 0.00 0.00 39.78 40.74 2xdi n ASN 32 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2xdi n ASP 33 N -2.19 -4.40 -1.42 6.41 2.03 -0.85 -4.80 116.55 111.34 2xdi n ASP 33 Ca 0.01 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2xdi n ASP 33 Cb 0.49 -2.52 0.32 0.00 -0.72 0.00 0.00 41.12 38.69 2xdi n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2xdi n LEU 34 N 0.00 4.19 -0.34 -2.67 -0.00 -1.25 -4.29 117.00 112.63 2xdi n LEU 34 Ca 0.00 -2.11 0.01 0.00 -0.00 0.00 0.00 56.01 53.91 2xdi n LEU 34 Cb 0.31 -0.53 0.04 0.00 -0.00 0.00 0.00 43.42 43.23 2xdi n LEU 34 CO 0.00 0.75 0.44 0.00 -0.00 0.00 0.00 177.39 178.59 2xdi n HIS 35 N 1.05 0.15 -0.26 1.47 1.44 -1.25 -4.27 115.22 113.55 2xdi n HIS 35 Ca 0.23 -0.06 0.07 0.00 -2.01 0.00 0.00 57.72 55.95 2xdi n HIS 35 Cb 0.77 -0.06 0.20 0.00 0.12 0.00 0.00 29.99 31.02 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 0.44 -0.12 0.70 2.39 7.12 -1.92 1.55 115.31 125.46 2xdi h LEU 36 Ca 0.00 0.17 -0.03 0.00 0.13 0.00 0.00 57.88 58.15 2xdi h LEU 36 Cb 0.32 0.27 0.01 0.00 -0.53 0.00 0.00 40.66 40.72 2xdi h LEU 36 CO 0.02 -0.12 -0.34 1.55 -0.13 0.00 0.00 178.44 179.43 2xdi h PRO 37 N 0.19 -0.90 -0.44 5.25 0.13 -1.97 -2.58 132.00 131.69 2xdi h PRO 37 Ca 0.44 0.06 0.13 0.00 -0.87 0.00 0.00 66.00 65.76 2xdi h PRO 37 Cb 0.80 0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2xdi h PRO 37 CO -0.60 -0.60 0.37 1.25 -0.23 0.00 0.00 178.00 178.19 2xdi h LEU 38 N -1.19 0.00 -0.72 1.56 5.85 -1.69 0.54 115.31 119.66 2xdi h LEU 38 Ca -0.10 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2xdi h LEU 38 Cb 0.72 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 2xdi h LEU 38 CO 0.16 0.00 0.35 0.25 -0.34 0.00 0.00 178.44 178.86 2xdi h LEU 39 N 0.00 0.94 -0.43 2.25 5.85 0.26 0.99 115.31 125.16 2xdi h LEU 39 Ca 0.21 -0.13 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 2xdi h LEU 39 Cb 0.95 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2xdi h LEU 39 CO -0.00 0.81 -0.76 -1.13 -0.34 0.00 0.00 178.44 177.01 2xdi h ASN 40 N 1.01 0.28 0.26 1.25 -0.73 -0.53 2.20 115.58 119.31 2xdi h ASN 40 Ca 0.25 -0.20 -0.22 0.00 1.87 0.00 0.00 56.30 58.01 2xdi h ASN 40 Cb 0.11 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.62 2xdi h ASN 40 CO -0.03 0.94 -0.87 -0.07 -0.37 0.00 0.00 177.43 177.02 2xdi h LEU 41 N 0.15 0.57 0.00 0.34 3.38 -0.97 -3.22 115.31 115.55 2xdi h LEU 41 Ca -0.03 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2xdi h LEU 41 Cb 1.34 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2xdi h LEU 41 CO 0.12 1.21 -1.08 -0.03 0.09 0.00 0.00 178.44 178.74 2xdi h MET 42 N 0.28 0.00 -5.02 1.13 4.05 0.11 -3.48 114.93 112.00 2xdi h MET 42 Ca -0.07 0.00 -0.47 0.00 -0.28 0.00 0.00 59.70 58.88 2xdi h MET 42 Cb 1.49 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 32.15 2xdi h MET 42 CO 0.15 0.12 -0.56 -0.51 0.23 0.00 0.00 176.91 176.35 2xdi s LEU 43 N -5.59 1.90 0.00 3.39 1.43 0.74 -5.02 118.68 115.53 2xdi s LEU 43 Ca -0.01 -1.54 0.02 0.00 -1.03 0.00 0.00 54.13 51.56 2xdi s LEU 43 Cb 0.09 -0.06 -0.01 0.00 0.03 0.00 0.00 46.19 46.24 2xdi s LEU 43 CO 0.79 -0.83 0.19 0.35 0.23 0.00 0.00 176.35 177.09 2xdi n THR 44 N -0.72 0.00 0.05 5.49 -2.24 -1.26 -4.25 114.28 111.35 2xdi n THR 44 Ca -0.02 -1.06 -0.12 0.00 -2.27 0.00 0.00 64.05 60.57 2xdi n THR 44 Cb 0.65 0.58 -0.09 0.00 -2.10 0.00 0.00 70.33 69.38 2xdi n THR 44 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2xdi h PRO 45 N 0.00 -0.16 -0.14 -0.78 0.13 -1.98 -2.89 132.00 126.19 2xdi h PRO 45 Ca -0.13 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.05 2xdi h PRO 45 Cb 0.60 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2xdi h PRO 45 CO 0.18 0.27 0.21 0.38 -0.23 0.00 0.00 178.00 178.80 2xdi h ASP 46 N -0.65 0.00 -0.15 1.44 2.03 -1.98 -0.37 116.42 116.74 2xdi h ASP 46 Ca -0.02 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.24 2xdi h ASP 46 Cb 0.50 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.00 2xdi h ASP 46 CO 0.03 0.00 -0.10 -0.33 -1.03 0.00 0.00 179.24 177.81 2xdi h GLU 47 N 0.00 0.32 -0.61 4.15 4.39 -1.91 0.56 114.58 121.47 2xdi h GLU 47 Ca 0.06 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 2xdi h GLU 47 Cb 0.47 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2xdi h GLU 47 CO -0.00 0.67 0.14 0.00 -1.16 0.00 0.00 179.01 178.66 2xdi h ARG 48 N -0.03 0.97 -0.14 2.33 3.08 -0.96 2.10 114.38 121.73 2xdi h ARG 48 Ca 0.03 -0.22 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 2xdi h ARG 48 Cb 0.59 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2xdi h ARG 48 CO 0.03 0.87 -0.25 1.49 -1.07 0.00 0.00 179.97 181.03 2xdi h GLU 49 N 0.92 0.42 -0.06 0.04 4.22 -1.21 -2.40 114.58 116.52 2xdi h GLU 49 Ca 0.20 -0.26 -0.18 0.00 0.08 0.00 0.00 59.36 59.19 2xdi h GLU 49 Cb 0.34 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2xdi h GLU 49 CO 0.00 0.86 -0.68 0.00 -2.18 0.00 0.00 179.01 177.01 2xdi h ALA 50 N 0.56 0.17 0.33 2.92 0.00 0.36 -1.85 119.26 121.75 2xdi h ALA 50 Ca 0.01 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2xdi h ALA 50 Cb 0.84 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 2xdi h ALA 50 CO 0.06 0.48 -0.50 -0.07 0.00 0.00 0.00 179.25 179.22 2xdi h LEU 51 N 0.18 -1.43 -0.65 0.00 3.38 0.34 0.30 115.31 117.42 2xdi h LEU 51 Ca -0.07 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2xdi h LEU 51 Cb 1.34 0.50 -0.07 0.00 0.09 0.00 0.00 40.66 42.52 2xdi h LEU 51 CO 0.14 -0.60 0.29 1.23 0.09 0.00 0.00 178.44 179.58 2xdi h GLY 52 N -0.87 0.95 0.11 0.83 0.00 -1.52 0.31 103.07 102.87 2xdi h GLY 52 Ca -0.04 -0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.25 2xdi h GLY 52 CO -0.15 0.02 0.17 -0.84 0.00 0.00 0.00 176.54 175.73 2xdi h THR 53 N 0.50 0.61 0.07 4.70 2.02 -0.36 -0.95 112.91 119.50 2xdi h THR 53 Ca 0.33 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.40 2xdi h THR 53 Cb 0.37 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2xdi h THR 53 CO -0.29 0.05 -0.03 0.03 0.37 0.00 0.00 175.52 175.65 2xdi h ARG 54 N 0.29 -0.09 -0.35 6.66 3.08 0.16 -0.67 114.38 123.46 2xdi h ARG 54 Ca 0.36 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.51 2xdi h ARG 54 Cb 0.55 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2xdi h ARG 54 CO -0.43 -0.00 0.60 0.28 -1.07 0.00 0.00 179.97 179.34 2xdi h VAL 55 N -0.15 0.16 0.00 2.04 2.07 -0.04 0.21 116.25 120.53 2xdi h VAL 55 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2xdi h VAL 55 Cb 0.13 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 2xdi h VAL 55 CO 0.02 0.00 -0.19 -0.09 0.02 0.00 0.00 177.57 177.33 2xdi h ARG 56 N 0.00 0.00 -0.91 1.57 2.43 -0.35 -1.47 114.38 115.66 2xdi h ARG 56 Ca 0.17 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.54 2xdi h ARG 56 Cb 1.36 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.84 2xdi h ARG 56 CO -0.00 0.00 0.60 -0.84 -1.51 0.00 0.00 179.97 178.22 2xdi h ILE 57 N -0.59 0.68 0.05 1.20 3.07 -0.78 -0.04 117.51 121.09 2xdi h ILE 57 Ca 0.00 -0.14 -0.09 0.00 1.55 0.00 0.00 64.86 66.18 2xdi h ILE 57 Cb 0.19 0.22 0.01 0.00 -0.27 0.00 0.00 36.82 36.97 2xdi h ILE 57 CO 0.00 0.08 -0.37 0.58 -1.05 0.00 0.00 178.15 177.39 2xdi h VAL 58 N 0.42 1.62 0.33 0.16 2.07 -0.77 -1.72 116.25 118.35 2xdi h VAL 58 Ca 0.47 -2.30 -0.00 0.00 0.82 0.00 0.00 66.70 65.69 2xdi h VAL 58 Cb 1.16 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 34.04 2xdi h VAL 58 CO -0.18 0.63 -0.47 -0.08 0.02 0.00 0.00 177.57 177.48 2xdi h GLU 59 N -0.62 -0.80 -1.00 1.57 4.57 -0.17 0.08 114.58 118.20 2xdi h GLU 59 Ca -0.06 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.22 2xdi h GLU 59 Cb 1.24 0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 29.95 2xdi h GLU 59 CO 0.07 -0.54 0.65 1.49 -1.18 0.00 0.00 179.01 179.51 2xdi h GLU 60 N -0.83 1.20 -0.70 1.92 4.81 -1.19 0.67 114.58 120.46 2xdi h GLU 60 Ca -0.04 -0.07 0.14 0.00 -0.13 0.00 0.00 59.36 59.26 2xdi h GLU 60 Cb 0.76 -0.27 -0.09 0.00 0.63 0.00 0.00 28.75 29.77 2xdi h GLU 60 CO -0.14 0.79 0.22 1.25 -0.73 0.00 0.00 179.01 180.40 2xdi h LEU 61 N 1.23 0.13 -0.65 1.64 5.85 -0.43 1.01 115.31 124.10 2xdi h LEU 61 Ca 0.41 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.22 2xdi h LEU 61 Cb 0.07 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2xdi h LEU 61 CO -0.14 0.04 -0.13 -0.07 -0.34 0.00 0.00 178.44 177.80 2xdi h LEU 62 N 0.34 0.00 -0.18 2.25 3.38 0.21 -3.03 115.31 118.28 2xdi h LEU 62 Ca 0.38 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.14 2xdi h LEU 62 Cb 0.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2xdi h LEU 62 CO -0.42 0.13 -0.95 -0.09 0.09 0.00 0.00 178.44 177.20 2xdi h ARG 63 N 0.00 0.18 0.00 1.13 2.43 0.29 -3.47 114.38 114.94 2xdi h ARG 63 Ca -0.00 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2xdi h ARG 63 Cb 0.87 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2xdi h ARG 63 CO 0.02 1.00 0.00 0.41 -1.51 0.00 0.00 179.97 179.89 2xdi n GLY 64 N 1.04 1.07 1.07 2.80 0.00 0.26 -4.89 105.19 106.54 2xdi n GLY 64 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2xdi n GLY 64 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xdi n GLU 65 N 0.00 0.00 -0.72 1.61 1.02 -0.36 -4.91 120.64 117.28 2xdi n GLU 65 Ca 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 2xdi n GLU 65 Cb 0.00 -1.79 -0.07 0.00 -0.02 0.00 0.00 31.44 29.55 2xdi n GLU 65 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2xdi n MET 66 N -1.07 1.44 -0.58 3.49 1.56 -1.26 -3.31 117.12 117.38 2xdi n MET 66 Ca 0.00 -0.44 -0.01 0.00 -0.27 0.00 0.00 57.70 56.98 2xdi n MET 66 Cb 0.44 -1.44 -0.01 0.00 2.15 0.00 0.00 33.22 34.35 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 1.94 -0.19 -0.12 6.12 2.88 -1.26 -4.97 113.62 118.02 2xdi n SER 67 Ca 0.19 -1.16 -0.25 0.00 -1.33 0.00 0.00 58.87 56.32 2xdi n SER 67 Cb 0.68 0.06 -0.11 0.00 -0.75 0.00 0.00 64.21 64.09 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 0.61 0.32 -1.46 6.02 -1.21 -3.59 117.38 118.08 2xdi n GLN 68 Ca -0.05 0.29 0.20 0.00 -0.01 0.00 0.00 57.00 57.42 2xdi n GLN 68 Cb 0.52 -1.56 1.10 0.00 1.02 0.00 0.00 30.24 31.33 2xdi n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2xdi h ARG 69 N -0.68 0.00 0.09 -1.09 3.08 -1.93 -1.48 114.38 112.37 2xdi h ARG 69 Ca -0.59 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.15 2xdi h ARG 69 Cb 1.67 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.70 2xdi h ARG 69 CO -0.27 0.00 -1.60 1.49 -1.07 0.00 0.00 179.97 178.52 2xdi h GLU 70 N 0.00 0.19 -2.18 0.04 4.81 -1.94 -3.39 114.58 112.11 2xdi h GLU 70 Ca -0.00 -0.33 -0.59 0.00 -0.13 0.00 0.00 59.36 58.32 2xdi h GLU 70 Cb 0.01 0.12 -0.41 0.00 0.63 0.00 0.00 28.75 29.09 2xdi h GLU 70 CO 0.00 1.00 -0.70 1.28 -0.73 0.00 0.00 179.01 179.86 2xdi n LEU 71 N -3.37 3.29 0.18 1.64 4.77 -0.62 -4.88 117.00 118.01 2xdi n LEU 71 Ca -0.18 -5.37 0.11 0.00 -0.03 0.00 0.00 56.01 50.54 2xdi n LEU 71 Cb 1.04 -0.40 0.57 0.00 -2.33 0.00 0.00 43.42 42.30 2xdi n LEU 71 CO 0.48 2.14 0.86 0.50 -1.33 0.00 0.00 177.39 180.03 2xdi h LYS 72 N 3.84 0.00 0.00 3.23 3.64 -1.60 0.40 116.57 126.07 2xdi h LYS 72 Ca 0.16 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2xdi h LYS 72 Cb 0.67 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2xdi h LYS 72 CO 0.77 0.00 0.00 -1.71 -2.27 0.00 0.00 179.45 176.24 2xdi n ASN 73 N -2.27 0.00 -1.72 4.20 5.15 -1.26 0.26 115.26 119.62 2xdi n ASN 73 Ca -0.01 0.38 -0.09 0.00 -0.60 0.00 0.00 54.58 54.26 2xdi n ASN 73 Cb 0.13 -0.44 0.24 0.00 -0.53 0.00 0.00 39.78 39.19 2xdi n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2xdi n GLU 74 N -1.44 2.77 0.00 1.20 2.13 0.13 -4.61 120.64 120.82 2xdi n GLU 74 Ca 0.04 -3.07 0.00 0.00 0.66 0.00 0.00 57.16 54.80 2xdi n GLU 74 Cb 0.14 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 29.79 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 -0.70 0.00 -0.33 4.31 7.35 -0.82 -4.76 117.46 122.50 2xdi n PHE 75 Ca 0.42 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 57.13 2xdi n PHE 75 Cb 1.32 0.00 0.09 0.00 0.35 0.00 0.00 39.48 41.24 2xdi n PHE 75 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 2xdi h GLY 76 N 0.00 0.46 -5.36 7.13 0.00 0.33 -3.41 103.07 102.22 2xdi h GLY 76 Ca 0.00 0.37 0.13 0.00 0.00 0.00 0.00 47.33 47.83 2xdi h GLY 76 CO 0.00 -0.30 0.12 0.00 0.00 0.00 0.00 176.54 176.35 2xdi s ALA 77 N -6.16 -2.43 0.00 3.60 0.00 -1.26 -4.94 121.76 110.57 2xdi s ALA 77 Ca -0.15 2.17 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2xdi s ALA 77 Cb 0.23 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2xdi s ALA 77 CO 0.75 -0.87 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2xdi n GLY 78 N 4.99 1.75 3.09 0.00 0.00 -1.26 -4.99 105.19 108.77 2xdi n GLY 78 Ca -0.11 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2xdi n GLY 78 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xdi s ILE 79 N -1.25 4.06 0.00 -0.61 -1.09 -1.26 -4.75 121.20 116.30 2xdi s ILE 79 Ca 0.00 -3.56 0.00 0.00 -2.23 0.00 0.00 60.65 54.86 2xdi s ILE 79 Cb 0.00 -3.57 0.00 0.00 -1.58 0.00 0.00 42.46 37.31 2xdi s ILE 79 CO 0.00 -1.01 0.00 0.00 -1.23 0.00 0.00 174.94 172.70 2xdi n ALA 80 N 2.74 1.98 0.32 9.38 0.00 -1.26 -3.91 120.51 129.77 2xdi n ALA 80 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.78 2xdi n ALA 80 Cb 0.37 0.27 0.95 0.00 0.00 0.00 0.00 19.45 21.04 2xdi n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xdi h THR 81 N 0.00 0.04 0.06 0.00 1.03 -1.96 1.64 112.91 113.72 2xdi h THR 81 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.40 2xdi h THR 81 Cb 0.98 0.78 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 2xdi h THR 81 CO 0.00 0.00 -0.03 0.40 -0.01 0.00 0.00 175.52 175.88 2xdi h ILE 82 N 0.00 1.18 -0.53 0.00 5.03 -1.96 -3.30 117.51 117.93 2xdi h ILE 82 Ca 0.01 -1.56 0.00 0.00 -0.12 0.00 0.00 64.86 63.19 2xdi h ILE 82 Cb 0.45 2.10 0.00 0.00 -3.03 0.00 0.00 36.82 36.34 2xdi h ILE 82 CO -0.00 0.35 0.00 0.41 -0.68 0.00 0.00 178.15 178.23 2xdi n THR 83 N -4.78 0.70 -1.56 -0.27 -1.04 -0.52 -4.80 114.28 102.00 2xdi n THR 83 Ca -0.08 -0.76 -0.56 0.00 -2.04 0.00 0.00 64.05 60.61 2xdi n THR 83 Cb 0.31 0.52 -0.08 0.00 -1.82 0.00 0.00 70.33 69.26 2xdi n THR 83 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2xdi n ARG 84 N 1.25 0.98 -1.75 -2.82 0.63 0.55 -4.83 116.66 110.66 2xdi n ARG 84 Ca 0.20 0.32 -0.42 0.00 -0.92 0.00 0.00 57.85 57.04 2xdi n ARG 84 Cb 0.52 -2.15 -0.02 0.00 0.45 0.00 0.00 32.46 31.26 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 5.17 1.85 0.00 5.14 0.00 -1.26 -5.00 107.32 113.22 2xdi s GLY 85 Ca 1.05 1.59 0.00 0.00 0.00 0.00 0.00 44.72 47.36 2xdi s GLY 85 CO 0.60 2.66 0.00 -1.26 0.00 0.00 0.00 173.10 175.10 2xdi n SER 86 N 2.67 0.00 -4.87 1.64 2.88 -1.26 -5.09 113.62 109.59 2xdi n SER 86 Ca 0.10 -0.52 -0.31 0.00 -1.33 0.00 0.00 58.87 56.81 2xdi n SER 86 Cb 0.37 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.85 2xdi n SER 86 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 2xdi s ASN 87 N -1.00 5.96 0.00 -3.46 -0.87 -1.26 -5.08 114.94 109.23 2xdi s ASN 87 Ca 0.00 1.35 0.00 0.00 -1.57 0.00 0.00 52.86 52.64 2xdi s ASN 87 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 41.25 38.90 2xdi s ASN 87 CO 0.00 -1.04 0.00 -1.20 -2.57 0.00 0.00 177.10 172.29 2xdi n SER 88 N -2.85 0.00 -0.22 -1.22 7.64 -1.26 -4.35 113.62 111.37 2xdi n SER 88 Ca 0.06 0.00 0.30 0.00 1.01 0.00 0.00 58.87 60.25 2xdi n SER 88 Cb 0.55 0.00 0.57 0.00 -1.01 0.00 0.00 64.21 64.32 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 -2.97 -3.43 -0.00 -1.98 2.16 115.31 109.09 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 -0.01 0.17 1.63 -2.00 0.18 116.57 116.54 2xdi h LYS 90 Ca 0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.29 2xdi h LYS 90 Cb 2.62 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.25 2xdi h LYS 90 CO -0.01 0.00 -0.01 0.00 -3.45 0.00 0.00 179.45 175.99 2xdi n ALA 91 N -2.09 2.50 -2.62 5.00 0.00 0.73 -5.03 120.51 118.99 2xdi n ALA 91 Ca -0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 52.88 2xdi n ALA 91 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.34 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 0.24 -2.28 -0.03 0.00 0.00 0.05 -4.80 120.51 113.69 2xdi n ALA 92 Ca 0.03 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.38 2xdi n ALA 92 Cb 0.13 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 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 0.41 0.25 0.00 0.00 0.13 -1.83 -0.86 132.00 130.09 2xdi h PRO 93 Ca 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2xdi h PRO 93 Cb 0.98 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2xdi h PRO 93 CO 0.21 0.83 0.19 0.28 -0.23 0.00 0.00 178.00 179.28 2xdi h VAL 94 N -0.28 0.00 0.16 1.56 2.07 -1.93 0.71 116.25 118.54 2xdi h VAL 94 Ca -0.01 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.17 2xdi h VAL 94 Cb 0.86 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2xdi h VAL 94 CO 0.05 0.00 -1.69 -0.08 0.02 0.00 0.00 177.57 175.86 2xdi h GLU 95 N 0.00 0.34 -0.06 1.57 4.81 -1.80 -3.01 114.58 116.43 2xdi h GLU 95 Ca 0.00 -0.58 -0.01 0.00 -0.13 0.00 0.00 59.36 58.64 2xdi h GLU 95 Cb 0.37 0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 2xdi h GLU 95 CO 0.00 1.23 -0.01 1.25 -0.73 0.00 0.00 179.01 180.75 2xdi h LEU 96 N 0.09 0.10 -1.41 1.64 5.85 0.14 -2.64 115.31 119.08 2xdi h LEU 96 Ca -0.31 -0.34 0.13 0.00 0.84 0.00 0.00 57.88 58.19 2xdi h LEU 96 Cb 2.07 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 43.02 2xdi h LEU 96 CO 0.17 0.42 0.52 0.03 -0.34 0.00 0.00 178.44 179.24 2xdi h ARG 97 N -0.22 0.59 -0.04 1.25 2.47 0.01 -0.94 114.38 117.51 2xdi h ARG 97 Ca 0.01 -0.04 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2xdi h ARG 97 Cb 0.37 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2xdi h ARG 97 CO 0.00 0.39 -0.02 1.96 0.56 0.00 0.00 179.97 182.87 2xdi h GLN 98 N 0.61 -0.01 -0.00 0.04 1.08 -1.33 1.23 115.11 116.72 2xdi h GLN 98 Ca 0.39 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.60 2xdi h GLN 98 Cb 0.65 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.07 2xdi h GLN 98 CO -0.15 -0.01 -0.07 2.35 -0.95 0.00 0.00 178.83 179.99 2xdi h TRP 99 N -0.02 -0.19 -0.70 2.96 -0.00 -0.92 -1.39 115.95 115.69 2xdi h TRP 99 Ca 0.02 0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 2xdi h TRP 99 Cb 0.05 0.08 -0.03 0.00 -0.00 0.00 0.00 29.16 29.26 2xdi h TRP 99 CO -0.11 -0.12 0.37 -0.07 -0.00 0.00 0.00 178.44 178.51 2xdi h LEU 100 N -0.13 0.88 -1.96 0.65 3.38 -1.10 -0.92 115.31 116.12 2xdi h LEU 100 Ca 0.03 -0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.13 2xdi h LEU 100 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2xdi h LEU 100 CO -0.08 0.74 0.63 -0.33 0.09 0.00 0.00 178.44 179.49 2xdi h GLU 101 N 0.96 0.00 0.11 1.13 5.08 0.25 2.20 114.58 124.30 2xdi h GLU 101 Ca 0.24 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.29 2xdi h GLU 101 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2xdi h GLU 101 CO -0.04 0.00 -1.60 0.93 -1.00 0.00 0.00 179.01 177.30 2xdi h GLU 102 N 0.00 0.22 -0.00 2.33 5.08 -0.16 -1.38 114.58 120.67 2xdi h GLU 102 Ca 0.38 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xdi h GLU 102 Cb 1.65 0.14 0.00 0.00 0.50 0.00 0.00 28.75 31.04 2xdi h GLU 102 CO -0.00 1.06 -0.43 0.28 -1.00 0.00 0.00 179.01 178.92 2xdi n VAL 103 N -3.41 0.00 -0.03 3.13 0.31 0.46 -3.13 118.33 115.66 2xdi n VAL 103 Ca -0.18 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 2xdi n VAL 103 Cb 1.04 0.41 -0.06 0.00 -0.91 0.00 0.00 33.84 34.32 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 -1.07 0.00 -1.26 7.52 -0.00 0.71 -4.46 117.00 118.45 2xdi n LEU 104 Ca 0.08 0.00 0.11 0.00 -0.00 0.00 0.00 56.01 56.20 2xdi n LEU 104 Cb 0.35 0.16 0.30 0.00 -0.00 0.00 0.00 43.42 44.22 2xdi n LEU 104 CO 0.31 0.16 0.75 0.18 -0.00 0.00 0.00 177.39 178.80 2xdi n LEU 105 N -2.20 3.65 -2.38 -1.96 4.77 -0.52 -4.95 117.00 113.41 2xdi n LEU 105 Ca -0.11 -1.82 0.00 0.00 -0.03 0.00 0.00 56.01 54.06 2xdi n LEU 105 Cb 0.66 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2xdi n LEU 105 CO 0.17 0.91 0.00 2.29 -1.33 0.00 0.00 177.39 179.43 2xdi n LYS 106 N 1.50 -0.76 -2.11 3.23 2.85 -1.18 -4.67 118.16 117.01 2xdi n LYS 106 Ca 0.23 -0.24 -0.37 0.00 -1.05 0.00 0.00 58.31 56.88 2xdi n LYS 106 Cb 0.58 0.43 -0.03 0.00 -0.65 0.00 0.00 35.03 35.35 2xdi n LYS 106 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2xdi s SER 107 N -3.09 5.37 0.00 -5.58 0.01 -1.26 -5.11 113.70 104.03 2xdi s SER 107 Ca 0.00 0.03 0.13 0.00 1.31 0.00 0.00 55.95 57.42 2xdi s SER 107 Cb 0.00 -2.54 0.79 0.00 0.21 0.00 0.00 66.02 64.48 2xdi s SER 107 CO 0.00 -2.37 1.21 -0.67 0.41 0.00 0.00 173.24 171.82