#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irg n VAL 3 N 0.00 0.56 0.10 0.52 3.14 -1.26 -4.86 118.33 116.54 1irg n VAL 3 Ca 0.00 -0.10 -0.21 0.00 -2.96 0.00 0.00 64.34 61.07 1irg n VAL 3 Cb 0.00 -1.99 -0.15 0.00 -1.06 0.00 0.00 33.84 30.64 1irg n VAL 3 CO 0.00 0.00 0.00 1.05 -6.46 0.00 0.00 176.83 171.42 1irg h GLU 4 N 9.25 0.40 -5.93 1.45 4.11 -2.09 -3.49 114.58 118.28 1irg h GLU 4 Ca -0.48 -0.68 -0.06 0.00 0.07 0.00 0.00 59.36 58.21 1irg h GLU 4 Cb 1.26 0.25 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1irg h GLU 4 CO 0.94 1.30 -0.98 0.54 0.07 0.00 0.00 179.01 180.88 1irg n ARG 5 N -3.59 -1.70 0.00 1.06 1.74 -1.26 -4.66 116.66 108.24 1irg n ARG 5 Ca -0.17 1.61 0.00 0.00 -0.77 0.00 0.00 57.85 58.51 1irg n ARG 5 Cb 1.07 -2.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.59 1irg n ARG 5 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1irg n MET 6 N 0.72 0.00 0.00 5.56 1.56 -1.26 -4.96 117.12 118.75 1irg n MET 6 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1irg n MET 6 Cb 0.38 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.75 1irg n MET 6 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1irg n ARG 7 N 0.00 0.00 0.22 2.12 3.00 -1.26 -4.99 116.66 115.74 1irg n ARG 7 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1irg n ARG 7 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 32.46 32.94 1irg n ARG 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1irg h MET 8 N 0.00 0.00 0.76 -0.14 1.85 -1.98 -1.00 114.93 114.43 1irg h MET 8 Ca 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.06 1irg h MET 8 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 1irg h MET 8 CO 0.00 0.22 -0.50 0.00 -0.40 0.00 0.00 176.91 176.23 1irg h ARG 9 N 0.00 -1.15 0.00 0.39 3.08 -1.99 -1.23 114.38 113.48 1irg h ARG 9 Ca -0.00 0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1irg h ARG 9 Cb 0.40 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1irg h ARG 9 CO 0.03 -0.77 -0.44 -1.00 -1.07 0.00 0.00 179.97 176.72 1irg h PRO 10 N -1.19 0.00 -0.71 0.04 0.13 -1.94 -1.23 132.00 127.10 1irg h PRO 10 Ca -0.10 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 1irg h PRO 10 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1irg h PRO 10 CO 0.08 0.44 0.30 2.35 -0.23 0.00 0.00 178.00 180.94 1irg h TRP 11 N 0.00 1.05 0.02 1.56 7.01 -0.93 -1.21 115.95 123.46 1irg h TRP 11 Ca -0.00 -0.07 -0.25 0.00 2.11 0.00 0.00 58.89 60.68 1irg h TRP 11 Cb 0.86 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 27.57 1irg h TRP 11 CO 0.00 0.80 -1.27 -0.07 -2.79 0.00 0.00 178.44 175.11 1irg h LEU 12 N 1.00 0.07 -1.07 0.65 4.07 -1.08 -1.57 115.31 117.38 1irg h LEU 12 Ca 0.24 -0.09 -0.05 0.00 0.08 0.00 0.00 57.88 58.06 1irg h LEU 12 Cb 0.18 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.87 1irg h LEU 12 CO -0.02 1.08 0.12 -0.08 -1.08 0.00 0.00 178.44 178.45 1irg h GLU 13 N 0.01 0.78 0.00 1.13 4.22 -1.00 -0.06 114.58 119.67 1irg h GLU 13 Ca -0.12 -0.16 -0.04 0.00 0.08 0.00 0.00 59.36 59.12 1irg h GLU 13 Cb 1.88 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 1irg h GLU 13 CO 0.12 0.71 -0.32 0.93 -2.18 0.00 0.00 179.01 178.27 1irg h GLU 14 N 0.76 0.00 -0.79 1.92 5.08 -1.27 -1.26 114.58 119.01 1irg h GLU 14 Ca 0.17 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.73 1irg h GLU 14 Cb 0.28 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 1irg h GLU 14 CO -0.00 0.45 0.55 1.96 -1.00 0.00 0.00 179.01 180.96 1irg h GLN 15 N -1.00 0.18 0.00 2.33 1.08 -1.32 -0.98 115.11 115.40 1irg h GLN 15 Ca -0.06 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 1irg h GLN 15 Cb 0.61 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 28.00 1irg h GLN 15 CO -0.04 0.12 -0.13 0.82 -0.95 0.00 0.00 178.83 178.65 1irg h ILE 16 N 0.19 0.54 -1.29 2.54 2.04 -1.11 0.13 117.51 120.55 1irg h ILE 16 Ca 0.39 -1.43 0.38 0.00 1.00 0.00 0.00 64.86 65.19 1irg h ILE 16 Cb 1.24 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 38.28 1irg h ILE 16 CO -0.07 0.18 0.89 0.78 0.00 0.00 0.00 178.15 179.92 1irg h ASN 17 N -1.00 0.16 0.30 1.72 4.21 -0.79 0.26 115.58 120.44 1irg h ASN 17 Ca -0.02 0.05 -0.33 0.00 1.21 0.00 0.00 56.30 57.21 1irg h ASN 17 Cb 0.40 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1irg h ASN 17 CO -0.01 -0.02 -1.86 -1.20 -1.29 0.00 0.00 177.43 173.05 1irg n SER 18 N -4.36 1.53 -1.62 5.81 7.64 -0.41 -5.05 113.62 117.15 1irg n SER 18 Ca 0.30 0.31 -0.00 0.00 1.01 0.00 0.00 58.87 60.49 1irg n SER 18 Cb 1.30 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1irg n SER 18 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1irg n ASN 19 N -3.27 -2.57 -0.02 6.43 4.05 0.90 -5.02 115.26 115.75 1irg n ASN 19 Ca -0.25 0.10 0.00 0.00 0.45 0.00 0.00 54.58 54.89 1irg n ASN 19 Cb 1.05 -1.42 -0.07 0.00 1.23 0.00 0.00 39.78 40.57 1irg n ASN 19 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1irg n THR 20 N -0.17 0.27 -4.24 -0.44 -1.04 -1.12 -4.97 114.28 102.57 1irg n THR 20 Ca 0.00 -0.28 -0.34 0.00 -2.04 0.00 0.00 64.05 61.40 1irg n THR 20 Cb 0.02 -0.21 -0.10 0.00 -1.82 0.00 0.00 70.33 68.22 1irg n THR 20 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1irg s ILE 21 N -2.43 4.39 -1.21 12.58 -1.09 -1.26 -5.01 121.20 127.16 1irg s ILE 21 Ca -0.04 -0.19 -0.19 0.00 -2.23 0.00 0.00 60.65 58.00 1irg s ILE 21 Cb 0.04 -2.92 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 1irg s ILE 21 CO 0.36 0.52 1.93 -0.81 -1.23 0.00 0.00 174.94 175.70 1irg n PRO 22 N 3.08 2.41 0.00 2.79 -0.04 -1.26 -2.42 135.00 139.55 1irg n PRO 22 Ca -0.18 -2.67 0.00 0.00 -0.04 0.00 0.00 63.50 60.61 1irg n PRO 22 Cb 0.53 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.57 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 5.07 0.31 3.42 0.55 0.00 -1.26 -4.93 105.19 108.34 1irg n GLY 23 Ca 0.49 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 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 3.12 0.05 0.99 2.96 -1.02 -2.39 118.68 122.39 1irg s LEU 24 Ca 0.00 -0.25 -0.28 0.00 -0.22 0.00 0.00 54.13 53.38 1irg s LEU 24 Cb 0.00 -1.78 0.10 0.00 0.50 0.00 0.00 46.19 45.01 1irg s LEU 24 CO 0.00 0.07 1.12 -1.59 -1.32 0.00 0.00 176.35 174.63 1irg s LYS 25 N 0.94 0.76 -0.67 1.98 0.00 -0.42 -4.50 119.74 117.83 1irg s LYS 25 Ca 0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 55.97 55.29 1irg s LYS 25 Cb -0.14 0.27 0.02 0.00 0.00 0.00 0.00 37.83 37.97 1irg s LYS 25 CO 0.01 -0.35 1.36 -1.58 0.00 0.00 0.00 175.35 174.79 1irg s TRP 26 N -2.83 2.26 0.38 1.78 0.23 -1.26 -1.45 118.94 118.05 1irg s TRP 26 Ca 0.13 0.20 0.05 0.00 -2.03 0.00 0.00 56.10 54.44 1irg s TRP 26 Cb 0.02 -4.51 0.74 0.00 0.03 0.00 0.00 33.47 29.75 1irg s TRP 26 CO -0.02 -2.02 2.02 -0.07 0.96 0.00 0.00 176.95 177.83 1irg h LEU 27 N 13.27 0.57 -5.00 2.99 3.38 -0.43 -3.36 115.31 126.73 1irg h LEU 27 Ca -0.27 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.50 1irg h LEU 27 Cb 1.07 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 1irg h LEU 27 CO 1.24 0.44 -0.49 0.59 0.09 0.00 0.00 178.44 180.31 1irg n ASN 28 N -4.44 -3.24 0.14 -0.43 4.13 -0.92 -4.98 115.26 105.51 1irg n ASN 28 Ca 0.04 -3.07 0.19 0.00 1.68 0.00 0.00 54.58 53.43 1irg n ASN 28 Cb 0.07 1.79 0.74 0.00 -1.54 0.00 0.00 39.78 40.84 1irg n ASN 28 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1irg h LYS 29 N 4.60 0.00 0.38 3.52 -0.00 -1.73 0.15 116.57 123.50 1irg h LYS 29 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 60.65 60.62 1irg h LYS 29 Cb 1.08 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.29 1irg h LYS 29 CO 0.13 0.00 -0.37 1.49 -0.00 0.00 0.00 179.45 180.71 1irg h GLU 30 N 0.00 -0.72 -0.00 0.07 4.81 -1.93 -0.31 114.58 116.50 1irg h GLU 30 Ca 0.16 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1irg h GLU 30 Cb 1.07 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1irg h GLU 30 CO -0.00 -0.48 0.00 1.63 -0.73 0.00 0.00 179.01 179.43 1irg n LYS 31 N -4.62 1.01 -2.41 1.92 4.01 -0.55 -4.90 118.16 112.61 1irg n LYS 31 Ca -0.09 -0.01 -0.07 0.00 -0.51 0.00 0.00 58.31 57.63 1irg n LYS 31 Cb 0.34 -1.40 0.04 0.00 -0.51 0.00 0.00 35.03 33.50 1irg n LYS 31 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1irg n LYS 32 N -0.89 -1.53 -4.50 1.97 5.02 0.43 -4.65 118.16 114.02 1irg n LYS 32 Ca 0.19 0.42 -0.33 0.00 -2.02 0.00 0.00 58.31 56.57 1irg n LYS 32 Cb 0.09 -3.70 -0.16 0.00 -0.02 0.00 0.00 35.03 31.25 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 2.43 -0.02 -0.18 1.09 -0.55 -0.44 121.20 120.34 1irg s ILE 33 Ca 0.17 -0.85 0.03 0.00 -1.10 0.00 0.00 60.65 58.91 1irg s ILE 33 Cb -0.02 -2.01 0.00 0.00 -1.06 0.00 0.00 42.46 39.36 1irg s ILE 33 CO 0.35 0.52 -0.10 0.72 -0.10 0.00 0.00 174.94 176.34 1irg s PHE 34 N 0.90 0.98 -0.07 3.97 -0.71 0.06 0.36 117.98 123.47 1irg s PHE 34 Ca -0.04 -0.23 0.02 0.00 -1.04 0.00 0.00 56.93 55.64 1irg s PHE 34 Cb -0.15 -0.68 -0.02 0.00 -1.21 0.00 0.00 43.02 40.95 1irg s PHE 34 CO -0.02 -0.08 -0.13 -1.14 -1.34 0.00 0.00 175.22 172.51 1irg s GLN 35 N 0.08 2.69 0.17 1.99 0.74 -0.52 0.14 119.66 124.95 1irg s GLN 35 Ca -0.01 -0.67 0.08 0.00 0.05 0.00 0.00 55.36 54.81 1irg s GLN 35 Cb -0.08 -2.46 -0.04 0.00 1.10 0.00 0.00 33.01 31.54 1irg s GLN 35 CO 0.00 0.57 -0.07 0.42 -0.55 0.00 0.00 175.29 175.66 1irg s ILE 36 N -0.57 3.34 -0.00 -2.34 1.01 -0.74 -1.30 121.20 120.59 1irg s ILE 36 Ca 0.08 -1.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.05 1irg s ILE 36 Cb -0.11 -2.65 -0.32 0.00 0.01 0.00 0.00 42.46 39.38 1irg s ILE 36 CO 0.01 -0.09 0.85 1.55 0.00 0.00 0.00 174.94 177.26 1irg h PRO 37 N 2.91 0.42 0.00 2.79 0.13 -1.78 -0.06 132.00 136.40 1irg h PRO 37 Ca -0.47 -0.71 0.07 0.00 -0.87 0.00 0.00 66.00 64.02 1irg h PRO 37 Cb 1.20 0.26 -0.02 0.00 0.13 0.00 0.00 31.00 32.58 1irg h PRO 37 CO 0.55 1.32 -0.09 0.91 -0.23 0.00 0.00 178.00 180.46 1irg n TRP 38 N -3.61 -2.03 -3.00 1.56 7.02 -1.26 -4.46 117.44 111.66 1irg n TRP 38 Ca -0.20 0.30 -0.16 0.00 -1.02 0.00 0.00 57.50 56.43 1irg n TRP 38 Cb 1.08 -0.41 -0.01 0.00 -2.42 0.00 0.00 31.31 29.55 1irg n TRP 38 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1irg n MET 39 N -1.80 1.14 -0.40 -0.99 0.00 -1.26 -3.48 117.12 110.32 1irg n MET 39 Ca 0.00 -3.41 0.34 0.00 0.00 0.00 0.00 57.70 54.64 1irg n MET 39 Cb 0.11 -1.59 0.61 0.00 0.00 0.00 0.00 33.22 32.35 1irg n MET 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 175.97 177.22 1irg h HIS 40 N 2.99 0.64 -2.44 3.17 2.76 -1.88 -3.37 115.15 117.02 1irg h HIS 40 Ca 0.04 0.03 -0.56 0.00 -2.20 0.00 0.00 60.37 57.68 1irg h HIS 40 Cb 1.02 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.82 1irg h HIS 40 CO 0.49 -0.25 1.24 0.00 -1.30 0.00 0.00 177.93 178.11 1irg s ALA 41 N -5.39 3.28 0.25 5.26 0.00 -1.26 -4.40 121.76 119.49 1irg s ALA 41 Ca -0.08 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1irg s ALA 41 Cb 0.31 -3.89 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1irg s ALA 41 CO 0.81 -1.97 0.00 0.00 0.00 0.00 0.00 175.76 174.60 1irg n ALA 42 N 8.78 -1.98 1.84 0.00 0.00 -1.26 -4.35 120.51 123.54 1irg n ALA 42 Ca 0.22 0.49 0.12 0.00 0.00 0.00 0.00 53.44 54.27 1irg n ALA 42 Cb 0.44 -1.48 0.73 0.00 0.00 0.00 0.00 19.45 19.13 1irg n ALA 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1irg n ARG 43 N 1.69 0.92 0.00 0.00 1.74 -1.26 -4.39 116.66 115.35 1irg n ARG 43 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1irg n ARG 43 Cb 0.00 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.02 1irg n ARG 43 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1irg n HIS 44 N -0.92 0.00 0.00 -1.55 8.25 -1.26 -5.03 115.22 114.71 1irg n HIS 44 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1irg n HIS 44 Cb 0.08 0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 3.00 4.23 2.26 -1.41 0.00 -1.26 -4.83 105.19 107.17 1irg n GLY 45 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.82 0.00 1.61 2.14 -1.26 -3.94 117.44 114.17 1irg n TRP 46 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1irg n TRP 46 Cb 0.00 -0.97 0.00 0.00 -0.81 0.00 0.00 31.31 29.53 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 -1.15 0.00 -3.37 -0.67 8.00 -1.26 -4.82 116.55 113.28 1irg n ASP 47 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1irg n ASP 47 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.44 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1irg n VAL 48 N 0.00 0.74 -0.13 2.53 0.31 -1.25 -4.31 118.33 116.21 1irg n VAL 48 Ca 0.00 -4.54 -0.26 0.00 -0.01 0.00 0.00 64.34 59.53 1irg n VAL 48 Cb 0.00 -2.01 -0.11 0.00 -0.91 0.00 0.00 33.84 30.81 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 1.36 0.61 -0.05 5.55 2.13 -1.26 -3.91 120.64 125.07 1irg n GLU 49 Ca 0.25 0.25 -0.08 0.00 0.66 0.00 0.00 57.16 58.25 1irg n GLU 49 Cb 0.46 -1.52 -0.02 0.00 0.27 0.00 0.00 31.44 30.63 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 -0.69 0.02 -1.66 5.31 1.57 -1.90 -1.22 116.57 118.00 1irg h LYS 50 Ca -0.64 -0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.63 1irg h LYS 50 Cb 1.69 -0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.80 1irg h LYS 50 CO -0.31 0.01 0.57 -3.47 -0.57 0.00 0.00 179.45 175.69 1irg n ASP 51 N -5.20 6.83 -0.04 0.86 2.03 -1.23 -4.44 116.55 115.37 1irg n ASP 51 Ca -0.02 -3.34 -0.22 0.00 0.52 0.00 0.00 54.79 51.74 1irg n ASP 51 Cb 0.14 -1.11 -0.13 0.00 -0.72 0.00 0.00 41.12 39.30 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 0.20 0.90 -1.00 -1.67 0.00 -0.46 -4.23 120.51 114.24 1irg n ALA 52 Ca 0.46 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1irg n ALA 52 Cb 0.54 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.40 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 -3.75 0.00 -0.16 0.00 -0.04 -1.26 -2.82 135.00 126.97 1irg n PRO 53 Ca -0.34 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.40 1irg n PRO 53 Cb 0.94 -0.06 0.58 0.00 -0.04 0.00 0.00 33.50 34.93 1irg n PRO 53 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1irg h LEU 54 N 0.00 0.00 -0.09 1.53 -0.00 -1.89 0.85 115.31 115.70 1irg h LEU 54 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 1irg h LEU 54 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1irg h LEU 54 CO 0.00 0.00 -0.04 0.15 -0.00 0.00 0.00 178.44 178.55 1irg h PHE 55 N 0.00 0.22 0.00 0.17 3.57 -1.74 -1.53 116.94 117.64 1irg h PHE 55 Ca 0.44 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.88 1irg h PHE 55 Cb 2.37 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 41.06 1irg h PHE 55 CO 0.00 0.55 0.00 -2.13 -2.23 0.00 0.00 178.31 174.50 1irg n ARG 56 N -4.74 0.14 0.00 1.11 0.63 0.27 -1.51 116.66 112.57 1irg n ARG 56 Ca -0.07 0.39 0.09 0.00 -0.92 0.00 0.00 57.85 57.34 1irg n ARG 56 Cb 0.26 -1.78 0.42 0.00 0.45 0.00 0.00 32.46 31.81 1irg n ARG 56 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1irg n ASN 57 N -2.05 0.00 0.00 6.15 5.15 0.08 -3.91 115.26 120.67 1irg n ASN 57 Ca 0.02 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1irg n ASN 57 Cb 0.21 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 1irg n ASN 57 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1irg n TRP 58 N -1.35 0.00 -0.36 1.20 5.03 -0.57 -0.82 117.44 120.58 1irg n TRP 58 Ca 0.07 0.00 0.31 0.00 3.03 0.00 0.00 57.50 60.91 1irg n TRP 58 Cb 0.16 -0.02 0.52 0.00 -1.03 0.00 0.00 31.31 30.94 1irg n TRP 58 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1irg n ALA 59 N -0.55 1.04 -0.43 6.99 0.00 -1.25 -0.53 120.51 125.78 1irg n ALA 59 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.13 1irg n ALA 59 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1irg n ALA 59 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1irg n ILE 60 N -4.31 0.00 0.01 0.00 2.08 -1.21 -1.36 119.36 114.57 1irg n ILE 60 Ca 0.31 0.29 -0.03 0.00 0.56 0.00 0.00 62.75 63.89 1irg n ILE 60 Cb 1.20 -0.87 -0.02 0.00 -0.75 0.00 0.00 39.64 39.20 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 -0.26 -0.99 1.39 -0.00 -0.32 -0.88 115.15 114.09 1irg h HIS 61 Ca 0.00 0.01 0.37 0.00 -0.00 0.00 0.00 60.37 60.75 1irg h HIS 61 Cb 0.00 0.11 -0.17 0.00 -0.00 0.00 0.00 27.41 27.35 1irg h HIS 61 CO 0.00 -0.09 0.50 1.79 -0.00 0.00 0.00 177.93 180.13 1irg h THR 62 N -0.11 0.12 -0.99 6.26 1.35 -0.94 -3.45 112.91 115.15 1irg h THR 62 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1irg h THR 62 Cb 0.12 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 66.52 1irg h THR 62 CO -0.06 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 1irg n GLY 63 N -1.29 0.48 0.27 5.82 0.00 -0.34 -5.01 105.19 105.12 1irg n GLY 63 Ca 0.34 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.20 1irg n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1irg n LYS 64 N -0.50 1.26 -3.61 1.61 5.02 -0.46 -5.02 118.16 116.46 1irg n LYS 64 Ca 0.00 -2.67 -0.04 0.00 -2.02 0.00 0.00 58.31 53.58 1irg n LYS 64 Cb 0.25 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1irg n LYS 64 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1irg s HIS 65 N -2.75 -0.11 -0.06 2.13 5.04 -1.11 -4.91 115.29 113.53 1irg s HIS 65 Ca 0.32 0.10 -0.05 0.00 -1.54 0.00 0.00 55.06 53.89 1irg s HIS 65 Cb 0.29 0.50 0.02 0.00 0.04 0.00 0.00 32.58 33.43 1irg s HIS 65 CO -0.00 -0.15 0.15 -0.65 -2.34 0.00 0.00 174.74 171.75 1irg s GLN 66 N -1.97 0.17 0.15 2.88 -0.21 -1.26 -4.63 119.66 114.78 1irg s GLN 66 Ca 0.09 0.22 -0.30 0.00 0.02 0.00 0.00 55.36 55.39 1irg s GLN 66 Cb -0.01 0.06 -0.07 0.00 1.00 0.00 0.00 33.01 33.99 1irg s GLN 66 CO -0.04 -0.03 1.03 -1.25 -2.12 0.00 0.00 175.29 172.88 1irg s PRO 67 N 0.17 4.66 0.00 2.91 0.04 -1.26 -2.44 135.00 139.07 1irg s PRO 67 Ca -0.01 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1irg s PRO 67 Cb -0.02 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1irg s PRO 67 CO -0.00 0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.61 1irg n GLY 68 N 2.09 0.72 0.00 0.56 0.00 -1.26 -4.80 105.19 102.50 1irg n GLY 68 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.45 0.00 -4.10 -0.61 5.41 -1.19 -5.12 119.36 111.29 1irg n ILE 69 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 1irg n ILE 69 Cb 0.00 -0.21 -0.08 0.00 -0.71 0.00 0.00 39.64 38.64 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 -2.90 0.05 0.43 4.38 1.01 -1.02 -5.03 116.67 113.58 1irg s ASP 70 Ca 0.00 -1.17 -0.11 0.00 0.71 0.00 0.00 52.55 51.99 1irg s ASP 70 Cb 0.00 0.47 -0.06 0.00 1.01 0.00 0.00 42.92 44.34 1irg s ASP 70 CO 0.00 -0.97 0.80 -0.54 0.21 0.00 0.00 175.17 174.68 1irg s LYS 71 N -4.09 3.77 -0.14 8.23 1.02 -1.26 -4.69 119.74 122.58 1irg s LYS 71 Ca 0.31 0.51 -0.29 0.00 0.02 0.00 0.00 55.97 56.51 1irg s LYS 71 Cb 0.04 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1irg s LYS 71 CO 0.10 -0.10 1.10 -1.25 -0.92 0.00 0.00 175.35 174.28 1irg s PRO 72 N -4.00 4.33 -0.40 -1.68 0.04 -1.26 -4.92 135.00 127.12 1irg s PRO 72 Ca 0.52 1.48 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1irg s PRO 72 Cb -0.10 -3.61 0.11 0.00 0.04 0.00 0.00 34.50 30.94 1irg s PRO 72 CO 0.33 -0.49 0.14 -0.51 0.04 0.00 0.00 177.00 176.51 1irg s ASP 73 N 1.34 4.90 0.00 6.66 1.11 -1.26 -4.93 116.67 124.50 1irg s ASP 73 Ca 0.50 -2.25 0.18 0.00 0.18 0.00 0.00 52.55 51.16 1irg s ASP 73 Cb -0.19 -1.71 1.09 0.00 1.07 0.00 0.00 42.92 43.18 1irg s ASP 73 CO 0.15 -0.42 1.60 -0.81 1.18 0.00 0.00 175.17 176.87 1irg n PRO 74 N 4.20 0.84 0.08 8.23 -0.04 -1.26 -3.67 135.00 143.38 1irg n PRO 74 Ca 0.02 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 1irg n PRO 74 Cb 0.41 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.51 1irg n PRO 74 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1irg h LYS 75 N 0.00 -0.26 0.00 0.54 1.57 -1.96 -3.24 116.57 113.22 1irg h LYS 75 Ca 0.00 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1irg h LYS 75 Cb 0.00 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1irg h LYS 75 CO 0.00 -0.17 0.00 2.41 -0.57 0.00 0.00 179.45 181.12 1irg n THR 76 N -4.32 0.96 0.69 -0.16 -1.04 -1.25 -1.99 114.28 107.16 1irg n THR 76 Ca -0.03 0.29 0.08 0.00 -2.04 0.00 0.00 64.05 62.34 1irg n THR 76 Cb 0.11 -1.16 0.38 0.00 -1.82 0.00 0.00 70.33 67.83 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 -1.95 0.00 -0.12 -1.42 8.01 -1.22 -2.80 117.44 117.93 1irg n TRP 77 Ca 0.02 0.00 -0.25 0.00 -1.31 0.00 0.00 57.50 55.96 1irg n TRP 77 Cb 0.18 -0.35 -0.09 0.00 -2.01 0.00 0.00 31.31 29.04 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 -1.35 0.54 -0.26 -0.99 4.81 -0.84 -4.12 118.16 115.95 1irg n LYS 78 Ca 0.06 0.21 0.10 0.00 -0.87 0.00 0.00 58.31 57.82 1irg n LYS 78 Cb 0.14 -1.40 0.35 0.00 0.02 0.00 0.00 35.03 34.14 1irg n LYS 78 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1irg h ALA 79 N -0.72 1.75 -0.20 3.14 0.00 -1.65 0.14 119.26 121.72 1irg h ALA 79 Ca -0.61 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1irg h ALA 79 Cb 1.60 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1irg h ALA 79 CO -0.33 0.04 -0.13 -0.91 0.00 0.00 0.00 179.25 177.92 1irg h ASN 80 N 0.76 0.32 0.36 0.00 2.35 -1.73 -2.84 115.58 114.78 1irg h ASN 80 Ca 0.42 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 56.08 1irg h ASN 80 Cb 0.56 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1irg h ASN 80 CO -0.18 0.48 -0.17 0.15 -1.65 0.00 0.00 177.43 176.06 1irg h PHE 81 N 0.31 -0.44 -1.27 1.19 3.04 -0.88 -2.95 116.94 115.94 1irg h PHE 81 Ca 0.06 -0.01 0.41 0.00 3.98 0.00 0.00 57.97 62.41 1irg h PHE 81 Cb 0.43 0.15 -0.12 0.00 2.56 0.00 0.00 35.95 38.96 1irg h PHE 81 CO 0.01 -0.28 0.82 -0.09 -2.02 0.00 0.00 178.31 176.75 1irg h ARG 82 N -0.63 0.13 -0.05 1.11 9.65 -1.50 0.49 114.38 123.58 1irg h ARG 82 Ca -0.05 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1irg h ARG 82 Cb 0.37 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 1irg h ARG 82 CO 0.08 0.08 -0.22 0.00 2.80 0.00 0.00 179.97 182.71 1irg h ALA 84 N 0.58 2.46 -0.48 0.00 0.00 0.09 0.34 119.26 122.25 1irg h ALA 84 Ca 0.08 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1irg h ALA 84 Cb 0.43 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1irg h ALA 84 CO -0.24 -0.72 -0.07 0.52 0.00 0.00 0.00 179.25 178.75 1irg h MET 85 N 0.22 0.90 -0.19 0.00 2.07 -0.60 -1.55 114.93 115.78 1irg h MET 85 Ca 0.43 -0.32 0.00 0.00 -2.07 0.00 0.00 59.70 57.74 1irg h MET 85 Cb 1.34 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 31.00 1irg h MET 85 CO -0.10 0.97 0.00 0.09 1.07 0.00 0.00 176.91 178.94 1irg n ASN 86 N -4.27 0.89 -1.69 1.22 3.02 1.00 -4.82 115.26 110.61 1irg n ASN 86 Ca 0.00 -2.01 0.00 0.00 -0.03 0.00 0.00 54.58 52.55 1irg n ASN 86 Cb 0.36 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.41 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1irg n SER 87 N -0.03 0.18 -1.61 6.41 2.88 -0.11 -4.89 113.62 116.45 1irg n SER 87 Ca 0.05 -0.84 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 1irg n SER 87 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.61 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 -1.99 -0.34 2.46 4.32 -1.26 -4.63 117.00 115.55 1irg n LEU 88 Ca 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 56.01 56.55 1irg n LEU 88 Cb 0.00 -0.88 0.00 0.00 -1.62 0.00 0.00 43.42 40.92 1irg n LEU 88 CO 0.00 -1.42 0.19 -0.81 -1.22 0.00 0.00 177.39 174.12 1irg n PRO 89 N 1.86 0.56 0.00 3.23 -0.04 -1.26 -2.34 135.00 137.01 1irg n PRO 89 Ca 0.00 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 1irg n PRO 89 Cb 0.00 -1.19 0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1irg n PRO 89 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1irg n ASP 90 N -0.01 1.65 -4.78 3.54 8.00 -1.26 -4.98 116.55 118.72 1irg n ASP 90 Ca 0.00 -1.33 -0.38 0.00 0.71 0.00 0.00 54.79 53.79 1irg n ASP 90 Cb 0.10 0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.19 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1irg s ILE 91 N -0.77 4.93 -0.37 0.53 -4.36 -0.99 -0.97 121.20 119.20 1irg s ILE 91 Ca 0.10 1.14 0.03 0.00 -0.26 0.00 0.00 60.65 61.65 1irg s ILE 91 Cb 0.07 -3.88 0.11 0.00 1.25 0.00 0.00 42.46 40.01 1irg s ILE 91 CO 0.12 0.46 0.11 -0.70 0.24 0.00 0.00 174.94 175.16 1irg s GLU 92 N -0.38 1.64 0.15 0.37 2.12 0.12 -4.79 118.70 117.94 1irg s GLU 92 Ca 0.29 -1.95 -0.31 0.00 0.36 0.00 0.00 54.97 53.36 1irg s GLU 92 Cb -0.18 -3.30 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 1irg s GLU 92 CO 0.16 -0.98 1.40 -1.83 -0.54 0.00 0.00 175.26 173.47 1irg s GLU 93 N 0.82 4.31 -0.35 4.30 4.04 -1.26 -0.44 118.70 130.11 1irg s GLU 93 Ca 0.11 2.13 0.00 0.00 0.04 0.00 0.00 54.97 57.26 1irg s GLU 93 Cb -0.20 -3.21 0.14 0.00 0.02 0.00 0.00 34.13 30.88 1irg s GLU 93 CO -0.06 -0.42 0.23 0.08 -1.84 0.00 0.00 175.26 173.25 1irg s VAL 94 N 0.77 0.06 -0.46 1.83 1.01 0.16 -4.92 120.40 118.85 1irg s VAL 94 Ca 0.63 -1.58 0.06 0.00 0.00 0.00 0.00 61.98 61.09 1irg s VAL 94 Cb -0.38 -1.05 0.43 0.00 0.00 0.00 0.00 36.38 35.38 1irg s VAL 94 CO 0.33 -0.93 1.31 2.29 0.00 0.00 0.00 175.10 178.11 1irg n LYS 95 N 4.11 2.64 0.00 2.72 2.85 -1.26 -1.06 118.16 128.16 1irg n LYS 95 Ca 0.11 -1.72 0.00 0.00 -1.05 0.00 0.00 58.31 55.65 1irg n LYS 95 Cb 0.38 -1.83 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 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 0.07 -0.60 0.01 -5.58 8.00 -1.26 -4.80 116.55 112.39 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 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 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 -0.16 0.00 -2.71 -1.24 0.63 -1.26 -4.97 116.66 106.94 1irg n ARG 97 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1irg n ARG 97 Cb 0.00 0.00 0.05 0.00 0.45 0.00 0.00 32.46 32.96 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1irg n SER 98 N -2.53 1.24 0.00 6.15 7.64 -1.26 -4.94 113.62 119.91 1irg n SER 98 Ca 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 58.87 57.84 1irg n SER 98 Cb 0.00 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 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 -0.60 0.00 -2.52 0.44 2.08 -1.26 -4.93 119.36 112.58 1irg n ILE 99 Ca 0.04 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 62.93 1irg n ILE 99 Cb 0.83 -0.20 0.00 0.00 -0.75 0.00 0.00 39.64 39.52 1irg n ILE 99 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1irg n LYS 100 N -1.72 3.66 -2.64 0.38 0.00 -1.26 -4.71 118.16 111.87 1irg n LYS 100 Ca 0.00 -3.70 -0.21 0.00 0.00 0.00 0.00 58.31 54.40 1irg n LYS 100 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 35.03 32.13 1irg n LYS 100 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1irg n LYS 101 N 3.89 2.55 0.00 1.64 4.01 -1.26 -4.72 118.16 124.27 1irg n LYS 101 Ca 0.38 -4.10 0.00 0.00 -0.51 0.00 0.00 58.31 54.08 1irg n LYS 101 Cb 0.37 -1.91 0.00 0.00 -0.51 0.00 0.00 35.03 32.98 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1irg n GLY 102 N -0.27 -2.26 0.83 0.72 0.00 -1.26 -4.75 105.19 98.20 1irg n GLY 102 Ca 0.28 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 1irg n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1irg n ASN 103 N -0.30 -0.23 0.00 1.61 5.15 -1.26 -4.95 115.26 115.28 1irg n ASN 103 Ca 0.00 -1.65 0.00 0.00 -0.60 0.00 0.00 54.58 52.33 1irg n ASN 103 Cb 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1irg n ASN 104 N 0.07 0.56 -2.54 1.20 4.13 -1.26 -5.11 115.26 112.31 1irg n ASN 104 Ca -0.10 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.13 1irg n ASN 104 Cb 0.70 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.91 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1irg n ALA 105 N -2.80 -3.59 -4.65 5.41 0.00 -1.26 -5.03 120.51 108.59 1irg n ALA 105 Ca 0.00 1.55 -0.29 0.00 0.00 0.00 0.00 53.44 54.70 1irg n ALA 105 Cb 0.40 -3.04 -0.06 0.00 0.00 0.00 0.00 19.45 16.74 1irg n ALA 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1irg n PHE 106 N 1.20 0.93 -3.61 0.00 3.01 -1.26 -4.87 117.46 112.86 1irg n PHE 106 Ca -0.24 -2.34 -0.40 0.00 1.01 0.00 0.00 57.45 55.49 1irg n PHE 106 Cb 0.37 -0.26 -0.08 0.00 -0.01 0.00 0.00 39.48 39.50 1irg n PHE 106 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1irg s ARG 107 N -3.66 2.65 -0.56 -1.08 6.06 -0.04 -4.18 118.95 118.14 1irg s ARG 107 Ca 0.03 -2.21 -0.28 0.00 -2.50 0.00 0.00 55.73 50.77 1irg s ARG 107 Cb 0.00 -3.89 0.01 0.00 0.06 0.00 0.00 34.95 31.13 1irg s ARG 107 CO 0.02 -1.19 1.41 0.08 -2.50 0.00 0.00 175.30 173.12 1irg s VAL 108 N 0.54 3.79 0.08 7.11 1.01 -0.23 -1.79 120.40 130.91 1irg s VAL 108 Ca 0.13 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.61 1irg s VAL 108 Cb -0.21 -4.45 -0.07 0.00 0.00 0.00 0.00 36.38 31.66 1irg s VAL 108 CO -0.04 -1.18 0.53 -0.31 0.00 0.00 0.00 175.10 174.11 1irg s TYR 109 N 6.04 3.74 -0.28 5.22 1.51 0.12 0.36 117.35 134.05 1irg s TYR 109 Ca 0.52 1.16 -0.01 0.00 -1.01 0.00 0.00 57.07 57.74 1irg s TYR 109 Cb -0.11 -2.42 0.05 0.00 -0.11 0.00 0.00 41.96 39.37 1irg s TYR 109 CO 0.25 0.55 -0.04 0.50 -1.11 0.00 0.00 175.55 175.70 1irg s ARG 110 N -1.35 2.48 -0.82 -0.62 3.52 0.41 -0.76 118.95 121.81 1irg s ARG 110 Ca 0.31 -1.22 -0.18 0.00 -0.13 0.00 0.00 55.73 54.51 1irg s ARG 110 Cb -0.18 -3.07 0.14 0.00 -1.56 0.00 0.00 34.95 30.28 1irg s ARG 110 CO 0.18 -0.56 0.97 -1.64 -0.81 0.00 0.00 175.30 173.44 1irg s MET 111 N 1.24 3.45 0.50 5.12 -1.94 0.41 0.14 119.30 128.22 1irg s MET 111 Ca -0.05 -1.72 -0.21 0.00 -1.71 0.00 0.00 55.69 52.01 1irg s MET 111 Cb -0.19 -4.64 -0.07 0.00 2.01 0.00 0.00 34.83 31.94 1irg s MET 111 CO -0.03 -1.65 1.12 -0.48 -0.01 0.00 0.00 175.02 173.97 1irg s LEU 112 N 2.36 3.85 0.00 -0.03 2.34 -0.14 -4.49 118.68 122.57 1irg s LEU 112 Ca 0.25 2.16 0.27 0.00 0.06 0.00 0.00 54.13 56.86 1irg s LEU 112 Cb -0.11 -4.47 1.60 0.00 -0.56 0.00 0.00 46.19 42.65 1irg s LEU 112 CO -0.05 -1.03 1.95 -0.81 -1.06 0.00 0.00 176.35 175.36