#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irg s VAL 3 N 0.00 0.00 0.00 0.52 -7.23 -1.26 -5.17 120.40 107.26 1irg s VAL 3 Ca 0.00 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 1irg s VAL 3 Cb 0.00 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.84 1irg s VAL 3 CO 0.00 -0.01 0.00 1.21 -0.31 0.00 0.00 175.10 175.99 1irg n GLU 4 N -0.41 0.69 -3.11 4.82 2.13 -1.26 -4.96 120.64 118.54 1irg n GLU 4 Ca -0.03 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.49 1irg n GLU 4 Cb 0.61 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.27 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1irg n ARG 5 N -0.23 3.34 -1.72 5.31 5.12 -1.26 -5.06 116.66 122.16 1irg n ARG 5 Ca 0.00 -4.73 -0.43 0.00 -1.93 0.00 0.00 57.85 50.76 1irg n ARG 5 Cb 0.00 -2.30 -0.02 0.00 -1.16 0.00 0.00 32.46 28.98 1irg n ARG 5 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1irg n MET 6 N 0.40 2.50 -2.21 5.56 2.81 -1.26 -4.98 117.12 119.95 1irg n MET 6 Ca 0.32 0.89 -0.26 0.00 -1.81 0.00 0.00 57.70 56.84 1irg n MET 6 Cb 0.38 -2.64 0.10 0.00 -0.71 0.00 0.00 33.22 30.34 1irg n MET 6 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 1irg s ARG 7 N -0.32 1.82 0.13 0.03 6.06 -1.26 -4.86 118.95 120.56 1irg s ARG 7 Ca 0.66 -0.41 -0.15 0.00 -2.50 0.00 0.00 55.73 53.33 1irg s ARG 7 Cb -0.55 -2.13 -0.00 0.00 0.06 0.00 0.00 34.95 32.33 1irg s ARG 7 CO 0.47 -1.50 1.66 1.98 -2.50 0.00 0.00 175.30 175.42 1irg h MET 8 N -0.79 0.63 0.01 5.12 4.05 -1.98 0.26 114.93 122.23 1irg h MET 8 Ca -0.43 -0.13 0.03 0.00 -0.28 0.00 0.00 59.70 58.89 1irg h MET 8 Cb 1.29 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.94 1irg h MET 8 CO 0.53 0.62 -0.43 0.00 0.23 0.00 0.00 176.91 177.86 1irg h ARG 9 N 0.52 -0.56 0.00 0.39 3.08 -2.00 -1.22 114.38 114.59 1irg h ARG 9 Ca 0.13 0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.19 1irg h ARG 9 Cb 0.24 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1irg h ARG 9 CO -0.01 -0.38 -0.17 -1.00 -1.07 0.00 0.00 179.97 177.35 1irg h PRO 10 N -0.59 0.00 0.15 0.04 0.13 -1.94 -1.50 132.00 128.30 1irg h PRO 10 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 1irg h PRO 10 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1irg h PRO 10 CO -0.32 0.17 -0.07 2.35 -0.23 0.00 0.00 178.00 179.90 1irg h TRP 11 N 0.00 -0.18 -0.21 1.56 7.01 0.17 -0.87 115.95 123.44 1irg h TRP 11 Ca -0.00 -0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.85 1irg h TRP 11 Cb 0.63 0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.74 1irg h TRP 11 CO 0.00 0.17 -0.46 1.25 -2.79 0.00 0.00 178.44 176.61 1irg h LEU 12 N -0.56 0.59 -0.89 0.65 5.85 -1.23 -1.63 115.31 118.08 1irg h LEU 12 Ca -0.02 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1irg h LEU 12 Cb 0.43 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1irg h LEU 12 CO 0.03 0.96 0.52 -0.08 -0.34 0.00 0.00 178.44 179.54 1irg h GLU 13 N 0.44 1.23 -0.25 1.25 4.81 -1.23 -1.37 114.58 119.45 1irg h GLU 13 Ca 0.03 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1irg h GLU 13 Cb 0.98 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1irg h GLU 13 CO 0.09 0.87 -0.47 0.93 -0.73 0.00 0.00 179.01 179.70 1irg h GLU 14 N 1.24 0.75 -0.37 1.92 4.39 -0.94 -1.73 114.58 119.84 1irg h GLU 14 Ca 0.32 -0.48 0.01 0.00 0.34 0.00 0.00 59.36 59.55 1irg h GLU 14 Cb -0.02 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1irg h GLU 14 CO -0.06 1.11 0.23 1.96 -1.16 0.00 0.00 179.01 181.09 1irg h GLN 15 N 0.49 0.46 0.31 2.33 1.08 -0.94 0.11 115.11 118.94 1irg h GLN 15 Ca 0.01 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1irg h GLN 15 Cb 1.07 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1irg h GLN 15 CO 0.10 0.30 -0.15 0.82 -0.95 0.00 0.00 178.83 178.96 1irg h ILE 16 N 0.47 0.72 -0.04 2.54 2.04 -1.26 0.37 117.51 122.35 1irg h ILE 16 Ca 0.14 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.59 1irg h ILE 16 Cb -0.03 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1irg h ILE 16 CO -0.04 0.08 0.05 -1.13 0.00 0.00 0.00 178.15 177.11 1irg h ASN 17 N -0.65 0.00 0.87 1.72 -0.73 -1.20 0.01 115.58 115.60 1irg h ASN 17 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 1irg h ASN 17 Cb 0.46 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.05 1irg h ASN 17 CO 0.07 0.00 -0.99 -0.24 -0.37 0.00 0.00 177.43 175.90 1irg n SER 18 N -3.82 0.76 -2.69 1.15 2.88 0.36 -5.02 113.62 107.24 1irg n SER 18 Ca -0.02 0.22 -0.06 0.00 -1.33 0.00 0.00 58.87 57.69 1irg n SER 18 Cb 0.14 0.50 0.01 0.00 -0.75 0.00 0.00 64.21 64.11 1irg n SER 18 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1irg n ASN 19 N -2.49 -7.10 -0.08 -3.46 3.02 0.13 -4.94 115.26 100.35 1irg n ASN 19 Ca 0.01 0.37 0.11 0.00 -0.03 0.00 0.00 54.58 55.04 1irg n ASN 19 Cb 0.52 -4.77 -0.02 0.00 -0.61 0.00 0.00 39.78 34.90 1irg n ASN 19 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1irg n THR 20 N -0.56 0.00 -3.94 3.41 5.66 -1.15 -4.91 114.28 112.79 1irg n THR 20 Ca 0.09 -0.04 -0.13 0.00 -3.05 0.00 0.00 64.05 60.91 1irg n THR 20 Cb 0.41 0.88 -0.14 0.00 -1.55 0.00 0.00 70.33 69.92 1irg n THR 20 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1irg s ILE 21 N -2.91 0.11 -1.21 1.09 -1.09 -1.26 -5.03 121.20 110.89 1irg s ILE 21 Ca 0.11 -0.03 -0.20 0.00 -2.23 0.00 0.00 60.65 58.29 1irg s ILE 21 Cb 0.17 -0.11 -0.02 0.00 -1.58 0.00 0.00 42.46 40.91 1irg s ILE 21 CO 0.78 0.04 1.88 -0.81 -1.23 0.00 0.00 174.94 175.61 1irg n PRO 22 N 3.20 2.32 0.00 2.79 -0.04 -1.26 -2.44 135.00 139.57 1irg n PRO 22 Ca -0.14 -2.74 0.00 0.00 -0.04 0.00 0.00 63.50 60.57 1irg n PRO 22 Cb 0.58 -3.53 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 1irg n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1irg n GLY 23 N 5.38 0.25 3.48 0.55 0.00 -1.26 -4.96 105.19 108.64 1irg n GLY 23 Ca 0.48 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.15 1irg n GLY 23 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1irg s LEU 24 N 0.00 3.28 -0.06 0.99 2.96 -1.02 -2.73 118.68 122.09 1irg s LEU 24 Ca 0.00 -0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 1irg s LEU 24 Cb 0.00 -1.81 0.11 0.00 0.50 0.00 0.00 46.19 44.99 1irg s LEU 24 CO 0.00 0.12 1.35 -1.59 -1.32 0.00 0.00 176.35 174.92 1irg s LYS 25 N 0.65 0.16 -0.65 1.98 0.00 -0.56 -4.57 119.74 116.76 1irg s LYS 25 Ca -0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 55.97 55.61 1irg s LYS 25 Cb -0.14 0.05 0.05 0.00 0.00 0.00 0.00 37.83 37.79 1irg s LYS 25 CO 0.02 -0.08 1.06 -1.58 0.00 0.00 0.00 175.35 174.78 1irg s TRP 26 N -2.05 2.59 0.53 1.78 0.52 -1.26 -0.65 118.94 120.40 1irg s TRP 26 Ca 0.27 -0.22 0.22 0.00 0.02 0.00 0.00 56.10 56.38 1irg s TRP 26 Cb 0.02 -4.35 1.35 0.00 -1.15 0.00 0.00 33.47 29.34 1irg s TRP 26 CO -0.03 -1.69 2.06 -0.07 0.02 0.00 0.00 176.95 177.23 1irg h LEU 27 N 11.75 0.00 -5.02 2.99 3.38 -0.07 -3.33 115.31 125.02 1irg h LEU 27 Ca -0.28 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.55 1irg h LEU 27 Cb 1.06 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.65 1irg h LEU 27 CO 1.19 0.00 -0.49 0.21 0.09 0.00 0.00 178.44 179.44 1irg s ASN 28 N -6.54 -1.44 0.65 -0.43 3.04 -1.01 -4.98 114.94 104.23 1irg s ASN 28 Ca -0.05 -1.71 0.30 0.00 0.04 0.00 0.00 52.86 51.44 1irg s ASN 28 Cb 0.19 1.88 1.62 0.00 -1.54 0.00 0.00 41.25 43.40 1irg s ASN 28 CO 0.71 -0.05 1.93 0.50 -3.04 0.00 0.00 177.10 177.15 1irg h LYS 29 N 5.02 0.00 0.06 0.43 1.63 -1.75 -1.17 116.57 120.80 1irg h LYS 29 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1irg h LYS 29 Cb 1.11 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1irg h LYS 29 CO 0.01 0.00 -0.17 1.49 -3.45 0.00 0.00 179.45 177.33 1irg h GLU 30 N 0.00 -0.24 -0.03 1.90 4.57 -1.93 -0.37 114.58 118.48 1irg h GLU 30 Ca 0.04 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 1irg h GLU 30 Cb 0.73 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1irg h GLU 30 CO -0.00 -0.16 0.00 1.63 -1.18 0.00 0.00 179.01 179.30 1irg n LYS 31 N -3.38 1.11 -2.49 1.92 5.02 -0.86 -4.89 118.16 114.59 1irg n LYS 31 Ca -0.03 -0.16 -0.08 0.00 -2.02 0.00 0.00 58.31 56.02 1irg n LYS 31 Cb 0.13 -1.27 0.04 0.00 -0.02 0.00 0.00 35.03 33.91 1irg n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1irg n LYS 32 N -0.59 -1.97 -3.89 1.97 5.02 -0.15 -4.53 118.16 114.02 1irg n LYS 32 Ca 0.13 0.42 -0.35 0.00 -2.02 0.00 0.00 58.31 56.48 1irg n LYS 32 Cb 0.09 -3.82 -0.14 0.00 -0.02 0.00 0.00 35.03 31.15 1irg n LYS 32 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1irg s ILE 33 N -3.18 3.42 -0.09 -0.18 1.09 -0.63 -1.18 121.20 120.44 1irg s ILE 33 Ca 0.13 -0.58 0.02 0.00 -1.10 0.00 0.00 60.65 59.11 1irg s ILE 33 Cb -0.02 -2.62 0.01 0.00 -1.06 0.00 0.00 42.46 38.78 1irg s ILE 33 CO 0.35 0.34 -0.14 0.72 -0.10 0.00 0.00 174.94 176.11 1irg s PHE 34 N 1.47 1.81 -0.09 3.97 -0.12 0.20 0.70 117.98 125.92 1irg s PHE 34 Ca 0.05 -0.79 -0.05 0.00 -0.05 0.00 0.00 56.93 56.08 1irg s PHE 34 Cb -0.15 -1.31 -0.04 0.00 -0.63 0.00 0.00 43.02 40.89 1irg s PHE 34 CO -0.02 -0.41 0.12 1.14 -0.05 0.00 0.00 175.22 175.99 1irg s GLN 35 N 0.90 3.33 0.05 1.99 -2.07 0.17 -0.61 119.66 123.42 1irg s GLN 35 Ca -0.09 -0.24 0.06 0.00 -1.82 0.00 0.00 55.36 53.27 1irg s GLN 35 Cb -0.15 -3.08 -0.03 0.00 -1.09 0.00 0.00 33.01 28.66 1irg s GLN 35 CO 0.00 0.74 -0.14 0.42 -1.32 0.00 0.00 175.29 174.99 1irg s ILE 36 N -1.07 3.06 0.05 3.63 1.01 -0.75 -1.49 121.20 125.65 1irg s ILE 36 Ca 0.17 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1irg s ILE 36 Cb -0.12 -2.33 -0.26 0.00 0.01 0.00 0.00 42.46 39.76 1irg s ILE 36 CO 0.07 0.30 1.04 1.55 0.00 0.00 0.00 174.94 177.89 1irg h PRO 37 N 4.33 0.16 0.00 2.79 0.13 -1.84 0.20 132.00 137.78 1irg h PRO 37 Ca -0.48 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1irg h PRO 37 Cb 1.16 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1irg h PRO 37 CO 0.49 1.05 0.00 0.91 -0.23 0.00 0.00 178.00 180.23 1irg n TRP 38 N -3.41 0.00 0.93 1.56 7.02 -1.26 -2.47 117.44 119.80 1irg n TRP 38 Ca -0.10 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.49 1irg n TRP 38 Cb 1.01 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.90 1irg n TRP 38 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1irg n MET 39 N 13.12 1.38 0.00 -0.99 2.81 -1.26 -4.18 117.12 127.99 1irg n MET 39 Ca 0.00 -1.00 0.08 0.00 -1.81 0.00 0.00 57.70 54.97 1irg n MET 39 Cb 0.00 -1.43 0.36 0.00 -0.71 0.00 0.00 33.22 31.44 1irg n MET 39 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1irg n HIS 40 N 0.02 0.00 0.71 2.03 -0.00 -1.03 -1.98 115.22 114.97 1irg n HIS 40 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.93 1irg n HIS 40 Cb 0.44 -0.48 0.27 0.00 -0.00 0.00 0.00 29.99 30.23 1irg n HIS 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1irg n ALA 41 N -1.48 2.88 -1.67 1.57 0.00 -1.26 -4.72 120.51 115.83 1irg n ALA 41 Ca 0.04 -0.21 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 1irg n ALA 41 Cb 0.19 -1.24 0.02 0.00 0.00 0.00 0.00 19.45 18.41 1irg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irg n ALA 42 N -1.72 0.87 -0.40 0.00 0.00 -0.84 -4.77 120.51 113.65 1irg n ALA 42 Ca 0.04 0.23 0.34 0.00 0.00 0.00 0.00 53.44 54.06 1irg n ALA 42 Cb 0.41 -2.20 0.66 0.00 0.00 0.00 0.00 19.45 18.31 1irg n ALA 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1irg h ARG 43 N 1.79 0.14 0.00 0.00 2.43 -1.89 -2.20 114.38 114.65 1irg h ARG 43 Ca -0.47 -0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 58.34 1irg h ARG 43 Cb 1.31 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.78 1irg h ARG 43 CO 0.58 0.09 -2.18 0.72 -1.51 0.00 0.00 179.97 177.67 1irg n HIS 44 N -4.44 0.00 0.00 2.20 8.25 -1.26 -5.05 115.22 114.93 1irg n HIS 44 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 1irg n HIS 44 Cb 1.27 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1irg n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1irg n GLY 45 N 1.66 0.79 0.35 -1.41 0.00 -0.83 -5.00 105.19 100.76 1irg n GLY 45 Ca -0.42 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 1irg n GLY 45 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1irg n TRP 46 N 0.00 0.00 0.00 1.61 2.14 -1.21 -4.44 117.44 115.54 1irg n TRP 46 Ca 0.00 -0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.54 1irg n TRP 46 Cb 0.00 0.23 0.00 0.00 -0.81 0.00 0.00 31.31 30.73 1irg n TRP 46 CO 0.00 0.00 0.00 -0.25 2.07 0.00 0.00 177.69 179.51 1irg n ASP 47 N 0.00 0.00 -2.57 -0.67 9.92 -1.26 -5.08 116.55 116.89 1irg n ASP 47 Ca -0.01 0.00 -0.01 0.00 -0.53 0.00 0.00 54.79 54.23 1irg n ASP 47 Cb 0.33 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.89 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1irg n VAL 48 N 0.00 0.46 -4.26 2.53 0.31 -1.26 -4.87 118.33 111.24 1irg n VAL 48 Ca 0.00 -1.64 -0.37 0.00 -0.01 0.00 0.00 64.34 62.32 1irg n VAL 48 Cb 0.00 1.08 -0.07 0.00 -0.91 0.00 0.00 33.84 33.94 1irg n VAL 48 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1irg n GLU 49 N -1.02 -1.15 0.03 5.55 2.13 -1.26 -4.76 120.64 120.16 1irg n GLU 49 Ca -0.08 0.14 -0.22 0.00 0.66 0.00 0.00 57.16 57.65 1irg n GLU 49 Cb 0.85 -4.72 -0.14 0.00 0.27 0.00 0.00 31.44 27.70 1irg n GLU 49 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1irg h LYS 50 N -0.79 0.30 -0.17 5.31 1.79 -1.92 -3.37 116.57 117.71 1irg h LYS 50 Ca -0.52 -0.51 -0.04 0.00 -2.18 0.00 0.00 60.65 57.41 1irg h LYS 50 Cb 1.34 0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 32.15 1irg h LYS 50 CO 0.78 1.24 -0.07 -3.47 -1.08 0.00 0.00 179.45 176.85 1irg n ASP 51 N -3.80 2.89 0.06 0.86 2.03 -1.26 -4.63 116.55 112.70 1irg n ASP 51 Ca -0.25 -3.29 0.12 0.00 0.52 0.00 0.00 54.79 51.89 1irg n ASP 51 Cb 0.96 -0.53 0.07 0.00 -0.72 0.00 0.00 41.12 40.91 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1irg n ALA 52 N -0.99 2.95 0.77 -1.67 0.00 -1.26 -3.56 120.51 116.75 1irg n ALA 52 Ca 0.22 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1irg n ALA 52 Cb 0.83 -1.09 0.44 0.00 0.00 0.00 0.00 19.45 19.63 1irg n ALA 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1irg n PRO 53 N -2.23 0.15 -0.04 0.00 -0.04 -1.26 -2.58 135.00 129.00 1irg n PRO 53 Ca 0.02 0.14 -0.06 0.00 -0.04 0.00 0.00 63.50 63.56 1irg n PRO 53 Cb 0.47 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1irg n PRO 53 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1irg n LEU 54 N -1.38 1.58 -0.59 1.53 4.32 -1.25 -4.29 117.00 116.92 1irg n LEU 54 Ca 0.07 0.25 0.45 0.00 -0.02 0.00 0.00 56.01 56.76 1irg n LEU 54 Cb 0.18 -0.60 0.69 0.00 -1.62 0.00 0.00 43.42 42.07 1irg n LEU 54 CO 0.15 -0.43 1.25 0.49 -1.22 0.00 0.00 177.39 177.64 1irg n PHE 55 N -4.06 0.08 -0.01 -1.77 3.72 -1.23 0.13 117.46 114.32 1irg n PHE 55 Ca -0.09 0.08 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1irg n PHE 55 Cb 0.33 -0.51 -0.10 0.00 -0.94 0.00 0.00 39.48 38.27 1irg n PHE 55 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1irg h ARG 56 N 0.00 -0.05 -0.74 -1.08 2.43 -1.71 -3.01 114.38 110.22 1irg h ARG 56 Ca 0.80 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 60.19 1irg h ARG 56 Cb 3.15 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 32.69 1irg h ARG 56 CO -0.06 0.54 0.97 -2.95 -1.51 0.00 0.00 179.97 176.96 1irg h ASN 57 N -0.69 0.00 0.00 -3.80 7.08 0.92 -3.19 115.58 115.90 1irg h ASN 57 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1irg h ASN 57 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 1irg h ASN 57 CO 0.01 0.00 0.00 0.79 -2.08 0.00 0.00 177.43 176.15 1irg n TRP 58 N -3.27 0.00 -0.20 4.14 5.03 -1.14 0.12 117.44 122.13 1irg n TRP 58 Ca 0.16 0.00 0.28 0.00 3.03 0.00 0.00 57.50 60.97 1irg n TRP 58 Cb 1.21 0.00 0.46 0.00 -1.03 0.00 0.00 31.31 31.94 1irg n TRP 58 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1irg h ALA 59 N -3.00 2.93 -3.00 6.99 0.00 -1.80 -1.66 119.26 119.72 1irg h ALA 59 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1irg h ALA 59 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1irg h ALA 59 CO 0.00 -1.69 0.00 -0.89 0.00 0.00 0.00 179.25 176.67 1irg n ILE 60 N -3.28 0.00 -0.29 0.00 2.08 0.16 -2.86 119.36 115.17 1irg n ILE 60 Ca 0.22 0.00 -0.09 0.00 0.56 0.00 0.00 62.75 63.44 1irg n ILE 60 Cb 1.48 -0.30 -0.08 0.00 -0.75 0.00 0.00 39.64 39.99 1irg n ILE 60 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 1irg h HIS 61 N 0.00 -1.47 -0.95 1.39 2.76 0.10 0.21 115.15 117.20 1irg h HIS 61 Ca 0.00 0.10 0.23 0.00 -2.20 0.00 0.00 60.37 58.49 1irg h HIS 61 Cb 0.00 0.73 -0.18 0.00 1.55 0.00 0.00 27.41 29.52 1irg h HIS 61 CO 0.00 -0.31 -0.08 1.79 -1.30 0.00 0.00 177.93 178.03 1irg h THR 62 N -0.07 0.07 -0.58 6.26 1.35 -1.32 -3.46 112.91 115.16 1irg h THR 62 Ca 0.11 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1irg h THR 62 Cb 0.35 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1irg h THR 62 CO -0.69 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.20 1irg n GLY 63 N -1.53 0.68 2.15 5.82 0.00 0.73 -5.06 105.19 107.99 1irg n GLY 63 Ca 0.19 -0.66 -0.03 0.00 0.00 0.00 0.00 46.02 45.51 1irg n GLY 63 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1irg n LYS 64 N -0.22 0.94 0.00 1.61 2.85 -1.14 -5.05 118.16 117.16 1irg n LYS 64 Ca 0.00 -1.14 0.00 0.00 -1.05 0.00 0.00 58.31 56.12 1irg n LYS 64 Cb 0.10 0.45 0.00 0.00 -0.65 0.00 0.00 35.03 34.93 1irg n LYS 64 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1irg n HIS 65 N -1.07 0.00 -0.34 5.58 -0.00 -1.17 -4.92 115.22 113.29 1irg n HIS 65 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.51 1irg n HIS 65 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.81 1irg n HIS 65 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1irg n GLN 66 N -0.15 -0.98 -2.62 1.57 7.27 -1.25 -2.71 117.38 118.51 1irg n GLN 66 Ca 0.00 0.72 -0.42 0.00 0.07 0.00 0.00 57.00 57.37 1irg n GLN 66 Cb 0.00 -0.81 -0.03 0.00 2.41 0.00 0.00 30.24 31.82 1irg n GLN 66 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1irg s PRO 67 N -4.89 4.43 0.00 3.69 0.04 -1.26 -2.44 135.00 134.57 1irg s PRO 67 Ca 0.00 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1irg s PRO 67 Cb 0.00 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1irg s PRO 67 CO 0.00 -0.29 0.00 0.41 0.04 0.00 0.00 177.00 177.16 1irg n GLY 68 N 3.13 2.82 0.39 0.56 0.00 -1.26 -4.87 105.19 105.96 1irg n GLY 68 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1irg n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1irg n ILE 69 N -0.86 0.58 -3.98 -0.61 -0.00 -1.20 -5.04 119.36 108.24 1irg n ILE 69 Ca 0.00 0.29 -0.22 0.00 -0.00 0.00 0.00 62.75 62.82 1irg n ILE 69 Cb 0.00 -1.63 -0.02 0.00 -0.00 0.00 0.00 39.64 37.98 1irg n ILE 69 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 1irg s ASP 70 N -5.01 6.23 0.44 4.38 1.01 -1.02 -5.06 116.67 117.63 1irg s ASP 70 Ca -0.08 0.05 -0.21 0.00 0.71 0.00 0.00 52.55 53.02 1irg s ASP 70 Cb 0.01 -1.81 -0.11 0.00 1.01 0.00 0.00 42.92 42.02 1irg s ASP 70 CO 0.11 -0.05 0.96 -0.75 0.21 0.00 0.00 175.17 175.65 1irg s LYS 71 N -3.85 4.19 -0.95 8.23 2.20 -1.26 -4.62 119.74 123.68 1irg s LYS 71 Ca 0.34 1.14 -0.24 0.00 -0.36 0.00 0.00 55.97 56.85 1irg s LYS 71 Cb -0.09 -2.17 0.02 0.00 -1.51 0.00 0.00 37.83 34.08 1irg s LYS 71 CO 0.28 -0.07 1.55 -1.25 -0.36 0.00 0.00 175.35 175.50 1irg s PRO 72 N -3.19 3.29 -0.41 4.03 0.04 -1.26 -4.95 135.00 132.54 1irg s PRO 72 Ca 0.62 -0.77 -0.08 0.00 0.04 0.00 0.00 61.00 60.81 1irg s PRO 72 Cb -0.10 -5.12 0.08 0.00 0.04 0.00 0.00 34.50 29.41 1irg s PRO 72 CO 0.14 -2.46 0.24 0.34 0.04 0.00 0.00 177.00 175.30 1irg s ASP 73 N 5.58 5.56 0.38 6.66 2.15 -1.26 -4.91 116.67 130.83 1irg s ASP 73 Ca 0.50 -1.55 0.25 0.00 0.43 0.00 0.00 52.55 52.19 1irg s ASP 73 Cb -0.03 -1.96 0.67 0.00 -0.30 0.00 0.00 42.92 41.30 1irg s ASP 73 CO -0.04 -0.53 1.72 1.55 -0.17 0.00 0.00 175.17 177.70 1irg h PRO 74 N 8.35 0.00 0.62 4.34 0.13 -1.97 -3.25 132.00 140.22 1irg h PRO 74 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1irg h PRO 74 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1irg h PRO 74 CO 0.74 0.00 -0.41 -0.22 -0.23 0.00 0.00 178.00 177.88 1irg h LYS 75 N 0.00 -0.95 0.00 0.86 3.64 -2.02 -1.55 116.57 116.56 1irg h LYS 75 Ca 0.00 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1irg h LYS 75 Cb 0.81 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1irg h LYS 75 CO 0.00 -0.63 0.00 2.41 -2.27 0.00 0.00 179.45 178.96 1irg n THR 76 N -5.54 0.68 0.77 1.00 -1.04 -1.25 -2.36 114.28 106.54 1irg n THR 76 Ca -0.13 0.16 0.12 0.00 -2.04 0.00 0.00 64.05 62.16 1irg n THR 76 Cb 0.43 -0.85 0.50 0.00 -1.82 0.00 0.00 70.33 68.58 1irg n THR 76 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1irg n TRP 77 N -1.56 0.18 0.98 -1.42 8.01 -0.60 -2.73 117.44 120.30 1irg n TRP 77 Ca 0.05 0.06 0.10 0.00 -1.31 0.00 0.00 57.50 56.39 1irg n TRP 77 Cb 0.23 -0.60 -0.11 0.00 -2.01 0.00 0.00 31.31 28.83 1irg n TRP 77 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1irg n LYS 78 N -1.65 0.25 0.04 -0.99 4.81 -0.99 -4.23 118.16 115.40 1irg n LYS 78 Ca 0.05 -0.09 0.02 0.00 -0.87 0.00 0.00 58.31 57.42 1irg n LYS 78 Cb 0.30 -1.48 -0.07 0.00 0.02 0.00 0.00 35.03 33.80 1irg n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1irg n ALA 79 N -1.35 2.03 1.92 3.14 0.00 -1.10 -3.39 120.51 121.75 1irg n ALA 79 Ca 0.04 -0.49 0.11 0.00 0.00 0.00 0.00 53.44 53.10 1irg n ALA 79 Cb 0.34 -0.98 0.61 0.00 0.00 0.00 0.00 19.45 19.42 1irg n ALA 79 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1irg n ASN 80 N -2.85 0.19 -0.04 0.00 3.02 -1.22 -3.92 115.26 110.45 1irg n ASN 80 Ca -0.08 -1.36 -0.09 0.00 -0.03 0.00 0.00 54.58 53.01 1irg n ASN 80 Cb 0.79 -0.01 -0.03 0.00 -0.61 0.00 0.00 39.78 39.92 1irg n ASN 80 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1irg n PHE 81 N -0.70 0.00 -0.48 3.10 -0.00 -1.24 -4.20 117.46 113.93 1irg n PHE 81 Ca 0.16 0.00 0.39 0.00 -0.00 0.00 0.00 57.45 58.00 1irg n PHE 81 Cb 0.11 -0.32 0.70 0.00 -0.00 0.00 0.00 39.48 39.96 1irg n PHE 81 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.76 176.83 1irg h ARG 82 N -0.37 0.08 0.02 -4.13 -0.00 -1.68 0.31 114.38 108.61 1irg h ARG 82 Ca -0.20 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.78 1irg h ARG 82 Cb 1.02 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.97 1irg h ARG 82 CO -0.12 0.05 -0.01 0.00 -0.00 0.00 0.00 179.97 179.89 1irg h ALA 84 N 0.12 3.11 0.10 0.00 0.00 -0.56 1.68 119.26 123.72 1irg h ALA 84 Ca -0.00 0.07 -0.35 0.00 0.00 0.00 0.00 54.91 54.63 1irg h ALA 84 Cb 0.74 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1irg h ALA 84 CO 0.00 -1.75 -1.91 0.52 0.00 0.00 0.00 179.25 176.11 1irg h MET 85 N 0.02 0.22 -0.86 0.00 2.86 -1.47 -3.33 114.93 112.37 1irg h MET 85 Ca 0.88 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 58.05 1irg h MET 85 Cb 3.03 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 34.77 1irg h MET 85 CO -0.32 1.07 0.12 0.09 1.06 0.00 0.00 176.91 178.93 1irg n ASN 86 N -3.40 3.44 0.00 1.22 4.13 0.38 -4.85 115.26 116.18 1irg n ASN 86 Ca -0.28 -2.61 0.00 0.00 1.68 0.00 0.00 54.58 53.38 1irg n ASN 86 Cb 1.05 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.67 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1irg n SER 87 N 0.09 0.00 -1.14 6.41 2.88 0.48 -4.91 113.62 117.43 1irg n SER 87 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1irg n SER 87 Cb 0.87 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 1irg n SER 87 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1irg n LEU 88 N 0.00 0.00 -0.78 2.46 4.32 -1.26 -4.61 117.00 117.13 1irg n LEU 88 Ca 0.00 0.58 0.00 0.00 -0.02 0.00 0.00 56.01 56.57 1irg n LEU 88 Cb 0.00 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1irg n LEU 88 CO 0.00 -0.85 0.23 -0.81 -1.22 0.00 0.00 177.39 174.75 1irg n PRO 89 N 1.77 0.59 0.00 3.23 -0.04 -1.26 -2.45 135.00 136.83 1irg n PRO 89 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1irg n PRO 89 Cb 0.00 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1irg n PRO 89 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1irg n ASP 90 N 0.49 0.61 -4.72 3.54 5.68 -1.26 -5.02 116.55 115.86 1irg n ASP 90 Ca 0.00 -0.94 -0.35 0.00 -0.50 0.00 0.00 54.79 53.00 1irg n ASP 90 Cb 0.23 0.06 -0.09 0.00 -1.14 0.00 0.00 41.12 40.19 1irg n ASP 90 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1irg s ILE 91 N -0.06 4.51 -0.19 2.12 2.07 -1.03 -0.74 121.20 127.88 1irg s ILE 91 Ca 0.00 -0.23 0.01 0.00 -1.41 0.00 0.00 60.65 59.01 1irg s ILE 91 Cb 0.00 -2.94 0.04 0.00 0.13 0.00 0.00 42.46 39.69 1irg s ILE 91 CO 0.00 0.56 -0.09 -1.61 -1.91 0.00 0.00 174.94 171.89 1irg s GLU 92 N -1.06 1.90 0.09 3.50 2.02 0.17 -4.84 118.70 120.47 1irg s GLU 92 Ca 0.15 -0.77 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 1irg s GLU 92 Cb -0.11 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.73 1irg s GLU 92 CO 0.05 -0.43 1.00 -1.83 0.02 0.00 0.00 175.26 174.06 1irg s GLU 93 N 1.45 4.63 -0.44 1.61 4.04 -1.26 -1.14 118.70 127.59 1irg s GLU 93 Ca -0.01 1.49 0.04 0.00 0.04 0.00 0.00 54.97 56.53 1irg s GLU 93 Cb -0.16 -3.39 0.12 0.00 0.02 0.00 0.00 34.13 30.72 1irg s GLU 93 CO -0.08 0.10 0.17 0.08 -1.84 0.00 0.00 175.26 173.69 1irg s VAL 94 N 0.30 2.32 -0.27 1.83 1.01 0.10 -4.89 120.40 120.81 1irg s VAL 94 Ca 0.49 -2.82 0.02 0.00 0.00 0.00 0.00 61.98 59.68 1irg s VAL 94 Cb -0.24 -2.66 0.28 0.00 0.00 0.00 0.00 36.38 33.76 1irg s VAL 94 CO 0.30 -0.72 1.30 2.29 0.00 0.00 0.00 175.10 178.27 1irg n LYS 95 N 3.65 1.68 0.00 2.72 2.85 -1.26 -0.99 118.16 126.80 1irg n LYS 95 Ca 0.05 -1.20 0.00 0.00 -1.05 0.00 0.00 58.31 56.10 1irg n LYS 95 Cb 0.36 -1.52 0.00 0.00 -0.65 0.00 0.00 35.03 33.22 1irg n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1irg n ASP 96 N -0.08 -3.98 0.00 -5.58 8.00 -1.26 -4.93 116.55 108.71 1irg n ASP 96 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1irg n ASP 96 Cb 0.91 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.01 1irg n ASP 96 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1irg n ARG 97 N -0.67 0.00 -2.53 -1.24 3.00 -1.26 -5.02 116.66 108.94 1irg n ARG 97 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.81 1irg n ARG 97 Cb 0.00 -0.00 0.09 0.00 0.00 0.00 0.00 32.46 32.55 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1irg n SER 98 N -2.50 -1.38 0.15 6.15 7.64 -1.26 -5.02 113.62 117.40 1irg n SER 98 Ca 0.00 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.82 1irg n SER 98 Cb 0.00 0.75 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 1irg n SER 98 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1irg n ILE 99 N -0.89 0.00 -2.97 0.44 -0.00 -1.26 -4.96 119.36 109.72 1irg n ILE 99 Ca -0.12 0.00 -0.44 0.00 -0.00 0.00 0.00 62.75 62.19 1irg n ILE 99 Cb 0.79 -0.49 -0.00 0.00 -0.00 0.00 0.00 39.64 39.94 1irg n ILE 99 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1irg s LYS 100 N -1.98 4.06 -0.47 0.38 2.20 -1.26 -4.82 119.74 117.85 1irg s LYS 100 Ca 0.00 -2.56 0.07 0.00 -0.36 0.00 0.00 55.97 53.12 1irg s LYS 100 Cb 0.00 -5.02 0.24 0.00 -1.51 0.00 0.00 37.83 31.54 1irg s LYS 100 CO 0.00 -1.74 0.56 1.63 -0.36 0.00 0.00 175.35 175.44 1irg n LYS 101 N 5.53 1.15 -2.77 4.03 5.02 -1.26 -4.30 118.16 125.56 1irg n LYS 101 Ca 0.35 -3.63 0.02 0.00 -2.02 0.00 0.00 58.31 53.03 1irg n LYS 101 Cb 0.43 -1.56 0.01 0.00 -0.02 0.00 0.00 35.03 33.88 1irg n LYS 101 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1irg s GLY 102 N -1.38 -1.52 -0.90 0.72 0.00 -1.26 -4.91 107.32 98.08 1irg s GLY 102 Ca 0.36 1.39 0.00 0.00 0.00 0.00 0.00 44.72 46.46 1irg s GLY 102 CO -0.10 4.33 0.00 0.70 0.00 0.00 0.00 173.10 178.03 1irg n ASN 103 N 3.75 -5.60 -2.98 1.64 5.03 -1.26 -4.84 115.26 111.00 1irg n ASN 103 Ca 0.06 0.21 -0.06 0.00 0.87 0.00 0.00 54.58 55.66 1irg n ASN 103 Cb 0.63 -3.85 -0.01 0.00 -1.02 0.00 0.00 39.78 35.54 1irg n ASN 103 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1irg s ASN 104 N -2.34 -1.01 -0.42 6.41 2.47 -1.26 -5.07 114.94 113.72 1irg s ASN 104 Ca 0.00 -1.62 0.04 0.00 0.42 0.00 0.00 52.86 51.70 1irg s ASN 104 Cb 0.00 1.59 0.17 0.00 -1.45 0.00 0.00 41.25 41.56 1irg s ASN 104 CO 0.00 -0.11 0.43 0.00 -3.72 0.00 0.00 177.10 173.70 1irg s ALA 105 N 1.07 -0.01 0.18 1.71 0.00 -1.26 -4.08 121.76 119.37 1irg s ALA 105 Ca 0.26 -1.49 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1irg s ALA 105 Cb -0.02 -1.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 1irg s ALA 105 CO -0.07 -2.10 0.01 -0.06 0.00 0.00 0.00 175.76 173.54 1irg s PHE 106 N 0.75 2.86 -0.69 0.00 0.40 -1.26 -4.79 117.98 115.24 1irg s PHE 106 Ca 0.26 -0.13 -0.26 0.00 -0.60 0.00 0.00 56.93 56.20 1irg s PHE 106 Cb -0.05 -1.38 0.04 0.00 0.51 0.00 0.00 43.02 42.14 1irg s PHE 106 CO -0.10 0.52 1.16 1.03 0.70 0.00 0.00 175.22 178.54 1irg s ARG 107 N -2.97 3.21 -0.27 0.44 3.00 0.71 -4.60 118.95 118.46 1irg s ARG 107 Ca 0.28 -0.36 -0.29 0.00 0.00 0.00 0.00 55.73 55.36 1irg s ARG 107 Cb -0.09 -4.17 -0.01 0.00 0.00 0.00 0.00 34.95 30.68 1irg s ARG 107 CO 0.19 -1.97 1.49 0.08 0.00 0.00 0.00 175.30 175.08 1irg s VAL 108 N 5.09 3.87 -0.15 3.52 1.01 -0.16 -1.80 120.40 131.78 1irg s VAL 108 Ca 0.32 0.97 -0.14 0.00 0.00 0.00 0.00 61.98 63.14 1irg s VAL 108 Cb -0.11 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.31 1irg s VAL 108 CO 0.15 -0.40 0.29 -0.31 0.00 0.00 0.00 175.10 174.82 1irg s TYR 109 N 4.97 3.48 -0.19 5.22 1.51 0.22 0.02 117.35 132.59 1irg s TYR 109 Ca 0.65 0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 57.29 1irg s TYR 109 Cb -0.21 -2.32 -0.02 0.00 -0.11 0.00 0.00 41.96 39.31 1irg s TYR 109 CO 0.27 0.28 -0.05 1.03 -1.11 0.00 0.00 175.55 175.97 1irg s ARG 110 N 0.33 3.47 -0.68 -0.62 0.52 -0.30 -0.62 118.95 121.04 1irg s ARG 110 Ca 0.17 -0.60 -0.13 0.00 -0.52 0.00 0.00 55.73 54.64 1irg s ARG 110 Cb -0.13 -2.93 0.18 0.00 0.52 0.00 0.00 34.95 32.59 1irg s ARG 110 CO 0.04 0.00 0.61 -1.64 0.02 0.00 0.00 175.30 174.34 1irg s MET 111 N 0.97 3.22 0.56 3.54 -1.94 -0.33 -0.65 119.30 124.66 1irg s MET 111 Ca -0.00 -2.15 -0.15 0.00 -1.71 0.00 0.00 55.69 51.67 1irg s MET 111 Cb -0.15 -4.29 -0.06 0.00 2.01 0.00 0.00 34.83 32.35 1irg s MET 111 CO 0.01 -1.29 1.01 -0.48 -0.01 0.00 0.00 175.02 174.26 1irg s LEU 112 N 0.74 3.52 0.00 -0.03 0.05 0.08 -4.58 118.68 118.46 1irg s LEU 112 Ca 0.12 1.62 0.30 0.00 0.05 0.00 0.00 54.13 56.22 1irg s LEU 112 Cb -0.19 -4.51 1.78 0.00 -2.05 0.00 0.00 46.19 41.22 1irg s LEU 112 CO -0.04 -0.82 2.11 -0.81 -0.55 0.00 0.00 176.35 176.25