#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 0.01 -0.42 0.52 -7.23 -1.26 -5.06 120.40 106.95 1irg s VAL 3 Ca 0.00 -0.05 0.10 0.00 -1.81 0.00 0.00 61.98 60.22 1irg s VAL 3 Cb 0.00 -0.07 0.40 0.00 0.56 0.00 0.00 36.38 37.27 1irg s VAL 3 CO 0.00 -0.03 0.96 -0.62 -0.31 0.00 0.00 175.10 175.11 1irg n GLU 4 N 2.98 2.26 -3.78 4.82 -0.58 -1.26 -4.91 120.64 120.17 1irg n GLU 4 Ca -0.13 -3.99 -0.27 0.00 -0.42 0.00 0.00 57.16 52.35 1irg n GLU 4 Cb 0.59 -1.84 0.05 0.00 -0.57 0.00 0.00 31.44 29.67 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1irg n ARG 5 N -0.17 -6.48 0.00 3.49 5.12 -1.26 -4.74 116.66 112.62 1irg n ARG 5 Ca 0.26 0.69 0.00 0.00 -1.93 0.00 0.00 57.85 56.87 1irg n ARG 5 Cb 0.66 -5.64 0.00 0.00 -1.16 0.00 0.00 32.46 26.32 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 -4.79 0.00 -3.56 5.56 2.81 -1.26 -4.89 117.12 111.00 1irg n MET 6 Ca 0.01 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.82 1irg n MET 6 Cb 0.55 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 33.03 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 0.00 0.58 0.52 0.03 6.06 -1.26 -5.01 118.95 119.87 1irg s ARG 7 Ca 0.00 -0.11 0.26 0.00 -2.50 0.00 0.00 55.73 53.38 1irg s ARG 7 Cb 0.00 0.27 1.43 0.00 0.06 0.00 0.00 34.95 36.71 1irg s ARG 7 CO 0.00 -0.23 2.09 1.98 -2.50 0.00 0.00 175.30 176.64 1irg h MET 8 N 2.16 0.00 0.92 5.12 1.85 -1.96 -1.39 114.93 121.64 1irg h MET 8 Ca -0.17 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 58.88 1irg h MET 8 Cb 1.20 0.00 0.01 0.00 0.43 0.00 0.00 31.60 33.23 1irg h MET 8 CO 0.28 0.11 -0.44 0.00 -0.40 0.00 0.00 176.91 176.46 1irg h ARG 9 N 0.00 -1.19 0.00 0.39 2.47 -1.99 -0.97 114.38 113.08 1irg h ARG 9 Ca -0.00 0.08 -0.09 0.00 -1.26 0.00 0.00 59.98 58.71 1irg h ARG 9 Cb 0.28 0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 1irg h ARG 9 CO 0.01 -0.79 -0.43 -1.00 0.56 0.00 0.00 179.97 178.32 1irg h PRO 10 N -1.29 0.00 -0.41 0.04 0.13 -1.95 -1.71 132.00 126.81 1irg h PRO 10 Ca -0.13 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.90 1irg h PRO 10 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 1irg h PRO 10 CO 0.21 0.43 -0.15 2.35 -0.23 0.00 0.00 178.00 180.61 1irg h TRP 11 N 0.00 0.84 0.00 1.56 7.01 -1.14 -0.91 115.95 123.31 1irg h TRP 11 Ca -0.00 -0.17 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 1irg h TRP 11 Cb 0.83 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 1irg h TRP 11 CO 0.00 0.86 -0.04 1.25 -2.79 0.00 0.00 178.44 177.72 1irg h LEU 12 N 0.68 0.03 -1.18 0.65 5.85 -0.91 -1.85 115.31 118.57 1irg h LEU 12 Ca 0.11 -0.84 0.14 0.00 0.84 0.00 0.00 57.88 58.13 1irg h LEU 12 Cb 0.64 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1irg h LEU 12 CO 0.04 0.87 0.59 -0.08 -0.34 0.00 0.00 178.44 179.53 1irg h GLU 13 N -0.80 0.77 0.31 1.25 4.81 -1.30 -0.60 114.58 119.02 1irg h GLU 13 Ca -0.01 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1irg h GLU 13 Cb 0.88 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1irg h GLU 13 CO 0.01 0.51 -0.15 1.49 -0.73 0.00 0.00 179.01 180.14 1irg h GLU 14 N 0.79 -0.40 0.26 1.92 4.81 -1.17 -1.60 114.58 119.19 1irg h GLU 14 Ca 0.47 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.73 1irg h GLU 14 Cb 0.65 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.09 1irg h GLU 14 CO -0.23 -0.08 -0.46 1.96 -0.73 0.00 0.00 179.01 179.48 1irg h GLN 15 N -0.81 -0.76 -0.16 1.92 1.08 -0.75 0.14 115.11 115.78 1irg h GLN 15 Ca -0.04 0.05 0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1irg h GLN 15 Cb 0.52 0.17 -0.07 0.00 -0.05 0.00 0.00 27.48 28.05 1irg h GLN 15 CO 0.07 -0.50 -0.35 0.82 -0.95 0.00 0.00 178.83 177.91 1irg h ILE 16 N -0.79 0.23 0.00 2.54 2.04 -1.21 0.31 117.51 120.64 1irg h ILE 16 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1irg h ILE 16 Cb 0.75 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.06 1irg h ILE 16 CO -0.18 0.00 -0.01 -1.13 0.00 0.00 0.00 178.15 176.83 1irg h ASN 17 N -0.41 0.00 0.87 1.72 -0.73 -1.00 -0.80 115.58 115.23 1irg h ASN 17 Ca 0.10 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.27 1irg h ASN 17 Cb 0.57 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.16 1irg h ASN 17 CO -0.39 0.01 -0.91 -1.20 -0.37 0.00 0.00 177.43 174.58 1irg n SER 18 N -3.36 0.77 -2.91 1.15 7.64 0.47 -4.96 113.62 112.42 1irg n SER 18 Ca -0.03 0.19 -0.17 0.00 1.01 0.00 0.00 58.87 59.88 1irg n SER 18 Cb 0.11 0.43 0.07 0.00 -1.01 0.00 0.00 64.21 63.80 1irg n SER 18 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1irg n ASN 19 N -2.41 -4.20 -0.07 6.43 4.13 0.79 -4.94 115.26 115.00 1irg n ASN 19 Ca 0.01 -0.44 -0.14 0.00 1.68 0.00 0.00 54.58 55.69 1irg n ASN 19 Cb 0.50 -4.07 -0.13 0.00 -1.54 0.00 0.00 39.78 34.54 1irg n ASN 19 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 1irg h THR 20 N -1.89 1.78 -3.37 3.41 1.35 -1.81 -3.44 112.91 108.94 1irg h THR 20 Ca -0.45 -2.29 -0.56 0.00 -0.55 0.00 0.00 66.41 62.56 1irg h THR 20 Cb 1.28 3.34 -0.05 0.00 -1.73 0.00 0.00 68.15 70.99 1irg h THR 20 CO 0.42 0.60 0.08 -0.63 -0.25 0.00 0.00 175.52 175.73 1irg s ILE 21 N -2.32 4.94 -0.16 6.82 1.09 -1.26 -5.01 121.20 125.30 1irg s ILE 21 Ca -0.19 1.43 -0.29 0.00 -1.10 0.00 0.00 60.65 60.50 1irg s ILE 21 Cb -0.03 -4.03 -0.02 0.00 -1.06 0.00 0.00 42.46 37.33 1irg s ILE 21 CO 0.69 0.32 1.32 -2.16 -0.10 0.00 0.00 174.94 175.00 1irg s PRO 22 N 0.37 4.20 0.00 2.79 0.04 -1.26 -2.44 135.00 138.71 1irg s PRO 22 Ca 0.36 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1irg s PRO 22 Cb -0.18 -3.80 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1irg s PRO 22 CO 0.19 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.88 1irg n GLY 23 N 3.73 2.65 3.42 0.56 0.00 -1.26 -4.77 105.19 109.53 1irg n GLY 23 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 3.13 0.01 0.99 2.96 -1.02 -2.69 118.68 122.05 1irg s LEU 24 Ca 0.00 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.38 1irg s LEU 24 Cb 0.00 -1.78 0.11 0.00 0.50 0.00 0.00 46.19 45.03 1irg s LEU 24 CO 0.00 0.08 1.23 -1.59 -1.32 0.00 0.00 176.35 174.75 1irg s LYS 25 N 0.89 0.53 -0.69 1.98 0.00 -0.48 -4.57 119.74 117.40 1irg s LYS 25 Ca -0.00 -0.29 -0.27 0.00 0.00 0.00 0.00 55.97 55.40 1irg s LYS 25 Cb -0.14 0.18 0.03 0.00 0.00 0.00 0.00 37.83 37.90 1irg s LYS 25 CO 0.01 -0.24 1.29 -1.58 0.00 0.00 0.00 175.35 174.83 1irg s TRP 26 N -2.57 2.33 0.48 1.78 0.52 -1.26 -0.93 118.94 119.29 1irg s TRP 26 Ca 0.14 0.11 0.17 0.00 0.02 0.00 0.00 56.10 56.53 1irg s TRP 26 Cb 0.04 -4.58 1.18 0.00 -1.15 0.00 0.00 33.47 28.96 1irg s TRP 26 CO -0.03 -1.97 2.03 -0.07 0.02 0.00 0.00 176.95 176.93 1irg h LEU 27 N 12.91 0.18 -5.41 2.99 3.38 -0.05 -3.34 115.31 125.97 1irg h LEU 27 Ca -0.27 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.54 1irg h LEU 27 Cb 1.06 -0.04 -0.19 0.00 0.09 0.00 0.00 40.66 41.58 1irg h LEU 27 CO 1.25 0.11 -0.51 0.20 0.09 0.00 0.00 178.44 179.58 1irg s ASN 28 N -6.48 -1.21 0.60 -0.43 0.01 -0.95 -4.98 114.94 101.49 1irg s ASN 28 Ca -0.06 -1.54 0.33 0.00 -0.71 0.00 0.00 52.86 50.87 1irg s ASN 28 Cb 0.19 1.74 1.92 0.00 0.41 0.00 0.00 41.25 45.51 1irg s ASN 28 CO 0.72 -0.10 2.27 0.50 -1.51 0.00 0.00 177.10 178.98 1irg h LYS 29 N 5.67 0.00 -0.70 -0.60 1.63 -1.75 0.15 116.57 120.97 1irg h LYS 29 Ca 0.07 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.91 1irg h LYS 29 Cb 1.12 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.70 1irg h LYS 29 CO 0.06 0.01 0.42 1.49 -3.45 0.00 0.00 179.45 177.99 1irg h GLU 30 N 0.00 0.79 -0.02 1.90 4.57 -1.94 -1.55 114.58 118.33 1irg h GLU 30 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1irg h GLU 30 Cb 0.03 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 1irg h GLU 30 CO 0.00 0.52 -0.13 1.63 -1.18 0.00 0.00 179.01 179.85 1irg n LYS 31 N -4.70 1.89 -2.03 1.92 4.76 -0.40 -4.98 118.16 114.63 1irg n LYS 31 Ca 0.08 -1.50 -0.03 0.00 -2.87 0.00 0.00 58.31 53.99 1irg n LYS 31 Cb 0.11 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.85 1irg n LYS 31 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1irg n LYS 32 N 0.75 -0.81 -4.28 1.97 4.76 0.40 -4.67 118.16 116.29 1irg n LYS 32 Ca 0.13 0.17 -0.29 0.00 -2.87 0.00 0.00 58.31 55.45 1irg n LYS 32 Cb 0.52 -2.70 -0.17 0.00 -1.84 0.00 0.00 35.03 30.85 1irg n LYS 32 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1irg s ILE 33 N -3.07 1.52 -0.07 -0.18 1.09 -0.53 -0.37 121.20 119.59 1irg s ILE 33 Ca 0.05 -0.63 0.02 0.00 -1.10 0.00 0.00 60.65 58.98 1irg s ILE 33 Cb -0.01 -1.41 0.02 0.00 -1.06 0.00 0.00 42.46 40.00 1irg s ILE 33 CO 0.14 0.45 -0.10 0.72 -0.10 0.00 0.00 174.94 176.05 1irg s PHE 34 N 1.20 1.37 0.01 3.97 -0.71 -0.10 0.71 117.98 124.42 1irg s PHE 34 Ca -0.02 -0.53 -0.00 0.00 -1.04 0.00 0.00 56.93 55.34 1irg s PHE 34 Cb -0.14 -1.04 -0.04 0.00 -1.21 0.00 0.00 43.02 40.59 1irg s PHE 34 CO -0.05 -0.31 0.10 1.14 -1.34 0.00 0.00 175.22 174.77 1irg s GLN 35 N 0.88 3.13 0.15 1.99 -2.07 -0.10 -0.69 119.66 122.94 1irg s GLN 35 Ca -0.11 -0.48 0.10 0.00 -1.82 0.00 0.00 55.36 53.06 1irg s GLN 35 Cb -0.15 -2.90 -0.04 0.00 -1.09 0.00 0.00 33.01 28.83 1irg s GLN 35 CO 0.01 0.64 -0.24 0.42 -1.32 0.00 0.00 175.29 174.81 1irg s ILE 36 N -1.25 2.12 -0.00 3.63 1.01 -0.72 -1.38 121.20 124.61 1irg s ILE 36 Ca 0.25 -1.82 -0.10 0.00 0.00 0.00 0.00 60.65 58.98 1irg s ILE 36 Cb -0.12 -1.93 -0.31 0.00 0.01 0.00 0.00 42.46 40.11 1irg s ILE 36 CO 0.16 -0.06 0.86 1.55 0.00 0.00 0.00 174.94 177.45 1irg h PRO 37 N 3.63 0.39 -4.20 2.79 0.13 -1.81 0.92 132.00 133.86 1irg h PRO 37 Ca -0.47 -0.66 -0.20 0.00 -0.87 0.00 0.00 66.00 63.80 1irg h PRO 37 Cb 1.19 0.25 0.10 0.00 0.13 0.00 0.00 31.00 32.67 1irg h PRO 37 CO 0.43 1.29 -0.46 0.91 -0.23 0.00 0.00 178.00 179.94 1irg n TRP 38 N -3.58 -1.32 -2.32 1.56 7.02 -1.26 -2.71 117.44 114.83 1irg n TRP 38 Ca -0.19 0.56 -0.01 0.00 -1.02 0.00 0.00 57.50 56.85 1irg n TRP 38 Cb 1.07 -3.83 -0.00 0.00 -2.42 0.00 0.00 31.31 26.13 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 -2.86 -2.73 0.00 -0.99 2.81 -1.26 -3.44 117.12 108.65 1irg n MET 39 Ca -0.17 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.75 1irg n MET 39 Cb 0.60 -4.48 0.00 0.00 -0.71 0.00 0.00 33.22 28.64 1irg n MET 39 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1irg n HIS 40 N -2.36 0.00 0.00 2.03 8.25 -1.10 -3.79 115.22 118.24 1irg n HIS 40 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1irg n HIS 40 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1irg n HIS 40 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1irg n ALA 41 N 1.31 0.00 -2.55 -1.41 0.00 -1.22 -4.99 120.51 111.65 1irg n ALA 41 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1irg n ALA 41 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1irg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irg s ALA 42 N 0.00 3.29 0.46 0.00 0.00 -1.25 -4.90 121.76 119.36 1irg s ALA 42 Ca 0.00 0.35 0.34 0.00 0.00 0.00 0.00 51.96 52.65 1irg s ALA 42 Cb 0.00 -3.12 1.48 0.00 0.00 0.00 0.00 23.12 21.48 1irg s ALA 42 CO 0.00 -0.07 1.63 -0.09 0.00 0.00 0.00 175.76 177.23 1irg h ARG 43 N 6.24 0.07 0.00 0.00 1.12 -1.97 -3.39 114.38 116.45 1irg h ARG 43 Ca -0.42 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.44 1irg h ARG 43 Cb 1.21 -0.02 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1irg h ARG 43 CO 0.73 0.05 0.00 1.58 -3.11 0.00 0.00 179.97 179.22 1irg n HIS 44 N -4.53 -0.65 0.00 2.20 -0.00 -1.26 -5.14 115.22 105.84 1irg n HIS 44 Ca 0.37 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.55 1irg n HIS 44 Cb 1.50 0.34 0.00 0.00 -0.12 0.00 0.00 29.99 31.72 1irg n HIS 44 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1irg n GLY 45 N 0.33 1.54 2.63 1.57 0.00 -1.26 -4.81 105.19 105.19 1irg n GLY 45 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.61 0.00 1.61 2.14 -1.26 -3.97 117.44 114.35 1irg n TRP 46 Ca 0.00 0.12 0.00 0.00 2.07 0.00 0.00 57.50 59.69 1irg n TRP 46 Cb 0.00 -1.03 0.00 0.00 -0.81 0.00 0.00 31.31 29.47 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 -1.46 0.00 -3.14 -0.67 9.92 -1.26 -4.94 116.55 115.00 1irg n ASP 47 Ca 0.02 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.07 1irg n ASP 47 Cb 0.43 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.87 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 0.77 -0.04 2.53 0.31 -1.25 -4.60 118.33 116.04 1irg n VAL 48 Ca 0.00 -4.82 -0.06 0.00 -0.01 0.00 0.00 64.34 59.44 1irg n VAL 48 Cb 0.00 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 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 0.29 0.16 -0.13 5.55 4.07 -1.26 -4.58 120.64 124.76 1irg n GLU 49 Ca 0.26 0.05 0.19 0.00 -0.06 0.00 0.00 57.16 57.61 1irg n GLU 49 Cb 0.56 -0.95 0.59 0.00 -0.06 0.00 0.00 31.44 31.59 1irg n GLU 49 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1irg h LYS 50 N -0.14 0.22 -1.30 5.31 1.57 -1.95 0.38 116.57 120.66 1irg h LYS 50 Ca -0.17 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.34 1irg h LYS 50 Cb 1.20 -0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.33 1irg h LYS 50 CO -0.07 0.15 0.33 -0.25 -0.57 0.00 0.00 179.45 179.04 1irg n ASP 51 N -4.42 4.91 0.08 0.86 9.92 -1.26 -4.23 116.55 122.41 1irg n ASP 51 Ca 0.14 -2.85 0.12 0.00 -0.53 0.00 0.00 54.79 51.67 1irg n ASP 51 Cb 0.63 -0.87 0.03 0.00 -0.64 0.00 0.00 41.12 40.27 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1irg n ALA 52 N 0.15 2.72 -0.55 2.24 0.00 0.13 -3.64 120.51 121.55 1irg n ALA 52 Ca 0.26 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1irg n ALA 52 Cb 0.77 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.46 0.00 -0.10 0.00 -0.04 -1.26 -2.73 135.00 128.41 1irg n PRO 53 Ca 0.01 0.22 -0.09 0.00 -0.04 0.00 0.00 63.50 63.60 1irg n PRO 53 Cb 0.52 -0.88 -0.07 0.00 -0.04 0.00 0.00 33.50 33.03 1irg n PRO 53 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1irg h LEU 54 N 0.00 -1.23 -0.54 1.53 4.07 -1.91 0.23 115.31 117.46 1irg h LEU 54 Ca 0.00 0.16 0.19 0.00 0.08 0.00 0.00 57.88 58.31 1irg h LEU 54 Cb 0.00 0.51 -0.10 0.00 1.08 0.00 0.00 40.66 42.15 1irg h LEU 54 CO 0.00 -0.26 0.16 0.49 -1.08 0.00 0.00 178.44 177.76 1irg n PHE 55 N -4.45 0.50 -0.02 1.13 3.01 -1.24 0.28 117.46 116.67 1irg n PHE 55 Ca -0.02 0.64 -0.13 0.00 1.01 0.00 0.00 57.45 58.95 1irg n PHE 55 Cb 0.22 -1.00 -0.10 0.00 -0.01 0.00 0.00 39.48 38.58 1irg n PHE 55 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1irg h ARG 56 N 0.00 -0.02 -0.64 -1.08 2.47 -0.38 -2.87 114.38 111.86 1irg h ARG 56 Ca 0.40 0.00 0.19 0.00 -1.26 0.00 0.00 59.98 59.31 1irg h ARG 56 Cb 0.97 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.27 1irg h ARG 56 CO -0.46 0.55 0.86 -2.95 0.56 0.00 0.00 179.97 178.53 1irg h ASN 57 N -0.60 0.00 0.30 7.04 7.08 0.49 0.07 115.58 129.97 1irg h ASN 57 Ca -0.00 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1irg h ASN 57 Cb 0.58 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.80 1irg h ASN 57 CO 0.00 0.00 -0.28 -0.50 -2.08 0.00 0.00 177.43 174.57 1irg h TRP 58 N 0.00 -0.75 -0.19 4.14 -0.00 -1.09 1.19 115.95 119.24 1irg h TRP 58 Ca 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 59.17 1irg h TRP 58 Cb 2.03 0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 31.46 1irg h TRP 58 CO 0.00 -0.41 0.04 0.00 -0.00 0.00 0.00 178.44 178.07 1irg n ALA 59 N -2.56 3.01 -0.07 1.49 0.00 0.01 -3.46 120.51 118.92 1irg n ALA 59 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1irg n ALA 59 Cb 0.31 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 0.15 0.00 0.00 0.00 -0.00 -0.70 -3.42 119.36 115.39 1irg n ILE 60 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.85 1irg n ILE 60 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.23 1irg n ILE 60 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 1irg n HIS 61 N -2.40 0.00 -0.53 1.39 -0.00 0.39 -2.08 115.22 111.99 1irg n HIS 61 Ca 0.00 0.00 0.43 0.00 -0.00 0.00 0.00 57.72 58.15 1irg n HIS 61 Cb 0.00 -0.24 0.72 0.00 -0.00 0.00 0.00 29.99 30.47 1irg n HIS 61 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1irg h THR 62 N 0.00 0.07 -0.89 3.57 1.35 -1.05 -3.45 112.91 112.51 1irg h THR 62 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1irg h THR 62 Cb 0.00 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.45 1irg h THR 62 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1irg n GLY 63 N -1.66 0.35 0.85 5.82 0.00 -0.88 -5.04 105.19 104.62 1irg n GLY 63 Ca 0.40 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.19 0.00 0.00 1.61 4.01 -1.23 -4.96 118.16 117.41 1irg n LYS 64 Ca 0.00 -0.81 0.00 0.00 -0.51 0.00 0.00 58.31 56.99 1irg n LYS 64 Cb 0.04 0.14 0.00 0.00 -0.51 0.00 0.00 35.03 34.70 1irg n LYS 64 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1irg n HIS 65 N 0.07 0.00 -3.73 2.13 -0.00 -1.22 -4.76 115.22 107.72 1irg n HIS 65 Ca -0.11 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.46 1irg n HIS 65 Cb 0.70 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.53 1irg n HIS 65 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 1irg s GLN 66 N -2.00 0.01 0.39 1.57 -0.21 -1.24 -4.13 119.66 114.05 1irg s GLN 66 Ca 0.00 0.35 -0.24 0.00 0.02 0.00 0.00 55.36 55.49 1irg s GLN 66 Cb 0.00 -0.28 -0.09 0.00 1.00 0.00 0.00 33.01 33.64 1irg s GLN 66 CO 0.00 -0.22 1.02 -1.25 -2.12 0.00 0.00 175.29 172.72 1irg s PRO 67 N 1.53 4.23 0.00 2.91 0.04 -1.26 -2.83 135.00 139.62 1irg s PRO 67 Ca -0.04 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.44 1irg s PRO 67 Cb -0.12 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.87 1irg s PRO 67 CO -0.04 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1irg n GLY 68 N 0.27 0.52 0.00 0.56 0.00 -1.26 -4.82 105.19 100.46 1irg n GLY 68 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.87 0.00 -2.50 -0.61 5.41 -1.20 -5.11 119.36 112.48 1irg n ILE 69 Ca 0.00 0.00 -0.27 0.00 1.00 0.00 0.00 62.75 63.48 1irg n ILE 69 Cb 0.02 -0.10 0.01 0.00 -0.71 0.00 0.00 39.64 38.86 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 1.00 5.98 0.23 4.38 1.11 -1.13 -5.01 116.67 123.23 1irg s ASP 70 Ca 0.00 0.86 -0.30 0.00 0.18 0.00 0.00 52.55 53.29 1irg s ASP 70 Cb 0.00 -2.03 -0.10 0.00 1.07 0.00 0.00 42.92 41.87 1irg s ASP 70 CO 0.00 -0.80 1.40 -0.54 1.18 0.00 0.00 175.17 176.42 1irg s LYS 71 N -4.87 4.31 0.59 8.23 -0.14 -1.26 -4.78 119.74 121.82 1irg s LYS 71 Ca 0.50 2.22 -0.13 0.00 -1.36 0.00 0.00 55.97 57.20 1irg s LYS 71 Cb -0.10 -3.14 -0.05 0.00 -1.68 0.00 0.00 37.83 32.86 1irg s LYS 71 CO 0.45 -0.37 1.02 -1.25 -0.76 0.00 0.00 175.35 174.44 1irg s PRO 72 N -0.20 3.61 -0.30 -1.68 0.04 -1.26 -5.00 135.00 130.21 1irg s PRO 72 Ca 0.59 0.89 0.02 0.00 0.04 0.00 0.00 61.00 62.54 1irg s PRO 72 Cb -0.40 -2.08 0.16 0.00 0.04 0.00 0.00 34.50 32.21 1irg s PRO 72 CO 0.41 -0.56 0.39 0.16 0.04 0.00 0.00 177.00 177.44 1irg s ASP 73 N -3.63 0.65 0.00 6.66 -4.77 -1.26 -4.99 116.67 109.34 1irg s ASP 73 Ca 0.57 -0.60 0.25 0.00 -3.30 0.00 0.00 52.55 49.47 1irg s ASP 73 Cb -0.11 0.96 1.07 0.00 -1.09 0.00 0.00 42.92 43.75 1irg s ASP 73 CO 0.45 -0.35 1.79 -0.81 0.70 0.00 0.00 175.17 176.96 1irg n PRO 74 N 5.20 0.04 0.12 2.11 -0.04 -1.26 -3.26 135.00 137.91 1irg n PRO 74 Ca 0.02 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.46 1irg n PRO 74 Cb 0.49 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 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 -0.36 0.00 0.54 1.57 -2.01 -3.13 116.57 113.17 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 0.40 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1irg h LYS 75 CO 0.00 -0.08 0.00 2.41 -0.57 0.00 0.00 179.45 181.21 1irg n THR 76 N -5.03 0.91 0.93 -0.16 -1.04 -1.25 -2.14 114.28 106.51 1irg n THR 76 Ca -0.07 0.24 0.09 0.00 -2.04 0.00 0.00 64.05 62.27 1irg n THR 76 Cb 0.23 -1.08 0.48 0.00 -1.82 0.00 0.00 70.33 68.13 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 -1.88 0.00 -0.06 -1.42 8.01 -1.18 -2.97 117.44 117.94 1irg n TRP 77 Ca 0.03 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.14 1irg n TRP 77 Cb 0.20 -0.21 -0.06 0.00 -2.01 0.00 0.00 31.31 29.23 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 -1.21 0.61 -0.09 -0.99 4.81 -0.91 -4.34 118.16 116.04 1irg n LYS 78 Ca 0.10 0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.52 1irg n LYS 78 Cb 0.12 -1.25 -0.01 0.00 0.02 0.00 0.00 35.03 33.91 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 0.07 0.39 0.00 3.14 0.00 -1.61 0.22 119.26 121.47 1irg h ALA 79 Ca -0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1irg h ALA 79 Cb 1.46 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1irg h ALA 79 CO -0.04 -0.19 -0.01 -0.91 0.00 0.00 0.00 179.25 178.11 1irg h ASN 80 N 0.37 0.00 -0.05 0.00 2.35 -1.79 -2.15 115.58 114.31 1irg h ASN 80 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1irg h ASN 80 Cb 0.01 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 1irg h ASN 80 CO -0.06 0.01 0.01 0.15 -1.65 0.00 0.00 177.43 175.88 1irg h PHE 81 N 0.00 0.09 -0.38 1.19 3.04 -1.15 -2.41 116.94 117.33 1irg h PHE 81 Ca -0.00 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.05 1irg h PHE 81 Cb 0.04 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.51 1irg h PHE 81 CO 0.00 0.33 0.43 0.07 -2.02 0.00 0.00 178.31 177.12 1irg h ARG 82 N -0.17 0.00 -0.53 1.11 -0.00 -1.21 0.14 114.38 113.72 1irg h ARG 82 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.88 1irg h ARG 82 Cb 0.29 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.24 1irg h ARG 82 CO 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 179.97 179.84 1irg h ALA 84 N 0.91 1.42 0.10 0.00 0.00 -0.73 0.37 119.26 121.34 1irg h ALA 84 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.71 1irg h ALA 84 Cb 0.70 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1irg h ALA 84 CO 0.05 -0.42 -1.77 0.52 0.00 0.00 0.00 179.25 177.64 1irg h MET 85 N 0.00 0.22 -0.02 0.00 2.86 -1.49 -3.28 114.93 113.22 1irg h MET 85 Ca 0.00 -0.38 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 1irg h MET 85 Cb 0.84 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.64 1irg h MET 85 CO 0.00 1.05 0.00 0.09 1.06 0.00 0.00 176.91 179.11 1irg n ASN 86 N -3.40 0.15 -0.70 1.22 3.02 0.12 -4.81 115.26 110.87 1irg n ASN 86 Ca -0.23 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1irg n ASN 86 Cb 1.05 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 40.21 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 -0.60 0.56 -1.60 6.41 2.88 -0.56 -4.92 113.62 115.79 1irg n SER 87 Ca 0.10 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.29 1irg n SER 87 Cb 0.07 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 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 -1.92 -0.66 2.46 4.32 -1.26 -4.62 117.00 115.32 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 -0.89 0.00 0.00 -1.62 0.00 0.00 43.42 40.91 1irg n LEU 88 CO 0.00 -1.41 0.20 -0.81 -1.22 0.00 0.00 177.39 174.15 1irg n PRO 89 N 1.86 0.61 0.00 3.23 -0.04 -1.26 -2.40 135.00 137.00 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 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.35 0.83 -4.75 3.54 9.92 -1.26 -4.98 116.55 120.20 1irg n ASP 90 Ca 0.00 -0.94 -0.38 0.00 -0.53 0.00 0.00 54.79 52.93 1irg n ASP 90 Cb 0.20 0.10 -0.06 0.00 -0.64 0.00 0.00 41.12 40.73 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1irg s ILE 91 N -0.10 5.04 -0.39 0.53 -4.36 -1.01 -0.28 121.20 120.62 1irg s ILE 91 Ca 0.00 1.12 0.03 0.00 -0.26 0.00 0.00 60.65 61.54 1irg s ILE 91 Cb 0.00 -3.88 0.11 0.00 1.25 0.00 0.00 42.46 39.94 1irg s ILE 91 CO 0.00 0.38 0.12 -0.70 0.24 0.00 0.00 174.94 174.99 1irg s GLU 92 N 0.13 1.68 0.14 0.37 2.12 0.86 -4.78 118.70 119.22 1irg s GLU 92 Ca 0.29 -2.04 -0.31 0.00 0.36 0.00 0.00 54.97 53.27 1irg s GLU 92 Cb -0.17 -3.30 -0.08 0.00 0.26 0.00 0.00 34.13 30.85 1irg s GLU 92 CO 0.14 -1.00 1.30 -1.83 -0.54 0.00 0.00 175.26 173.33 1irg s GLU 93 N 0.66 4.39 -0.30 4.30 -1.05 -1.26 -1.13 118.70 124.32 1irg s GLU 93 Ca 0.12 1.98 -0.03 0.00 -0.15 0.00 0.00 54.97 56.89 1irg s GLU 93 Cb -0.21 -3.25 0.11 0.00 -0.44 0.00 0.00 34.13 30.34 1irg s GLU 93 CO -0.06 -0.29 0.17 0.08 0.95 0.00 0.00 175.26 176.11 1irg s VAL 94 N 0.61 -0.11 -0.37 1.83 1.01 0.12 -4.91 120.40 118.57 1irg s VAL 94 Ca 0.59 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1irg s VAL 94 Cb -0.35 -0.99 0.40 0.00 0.00 0.00 0.00 36.38 35.45 1irg s VAL 94 CO 0.33 -0.71 1.39 2.29 0.00 0.00 0.00 175.10 178.41 1irg n LYS 95 N 5.11 2.24 -1.44 2.72 2.85 -1.26 -1.34 118.16 127.05 1irg n LYS 95 Ca -0.03 -1.69 0.18 0.00 -1.05 0.00 0.00 58.31 55.72 1irg n LYS 95 Cb 0.42 -1.75 -0.07 0.00 -0.65 0.00 0.00 35.03 32.98 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 -0.13 -8.54 0.00 -5.58 8.00 -1.26 -4.80 116.55 104.24 1irg n ASP 96 Ca 0.27 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.87 1irg n ASP 96 Cb 1.01 -4.71 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 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 -4.32 0.00 -1.49 -1.24 3.00 -1.26 -4.96 116.66 106.39 1irg n ARG 97 Ca -0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.85 57.57 1irg n ARG 97 Cb 0.67 0.00 0.09 0.00 0.00 0.00 0.00 32.46 33.22 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 -0.30 5.23 0.00 6.15 7.64 -1.26 -4.82 113.62 126.26 1irg n SER 98 Ca 0.00 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.11 1irg n SER 98 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 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 -2.38 0.44 -0.00 -1.26 -5.07 119.36 110.20 1irg n ILE 99 Ca 0.48 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 63.03 1irg n ILE 99 Cb 0.91 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 40.57 1irg n ILE 99 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1irg n LYS 100 N -0.70 -0.99 -2.72 0.38 4.81 -1.26 -4.89 118.16 112.80 1irg n LYS 100 Ca 0.00 0.76 -0.04 0.00 -0.87 0.00 0.00 58.31 58.16 1irg n LYS 100 Cb 0.00 -1.06 0.09 0.00 0.02 0.00 0.00 35.03 34.07 1irg n LYS 100 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1irg n LYS 101 N 0.01 1.36 0.00 1.64 2.85 -1.26 -5.05 118.16 117.71 1irg n LYS 101 Ca -0.05 -2.39 0.00 0.00 -1.05 0.00 0.00 58.31 54.83 1irg n LYS 101 Cb 0.38 -0.56 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1irg n GLY 102 N -0.74 0.43 2.73 2.58 0.00 -1.26 -5.10 105.19 103.81 1irg n GLY 102 Ca -0.02 0.29 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -2.65 0.00 1.61 2.85 -1.26 -5.09 115.26 110.72 1irg n ASN 103 Ca 0.00 -2.36 0.00 0.00 -0.11 0.00 0.00 54.58 52.11 1irg n ASN 103 Cb 0.00 1.41 0.00 0.00 1.24 0.00 0.00 39.78 42.43 1irg n ASN 103 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1irg n ASN 104 N 2.50 0.00 -0.89 1.20 0.23 -1.26 -5.07 115.26 111.97 1irg n ASN 104 Ca 0.13 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.18 1irg n ASN 104 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1irg n ALA 105 N -3.00 -0.05 -2.58 -2.53 0.00 -1.26 -5.08 120.51 106.01 1irg n ALA 105 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1irg n ALA 105 Cb 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 1irg n ALA 105 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1irg s PHE 106 N -3.01 2.52 -0.79 0.00 0.08 -1.26 -4.85 117.98 110.66 1irg s PHE 106 Ca 0.01 -0.66 -0.16 0.00 0.12 0.00 0.00 56.93 56.23 1irg s PHE 106 Cb -0.00 -1.82 0.17 0.00 -0.57 0.00 0.00 43.02 40.79 1irg s PHE 106 CO 0.02 0.37 0.83 0.50 -0.10 0.00 0.00 175.22 176.84 1irg s ARG 107 N -3.77 3.45 -0.25 0.44 6.06 0.32 -4.14 118.95 121.06 1irg s ARG 107 Ca 0.36 -2.00 -0.29 0.00 -2.50 0.00 0.00 55.73 51.29 1irg s ARG 107 Cb 0.08 -4.51 -0.01 0.00 0.06 0.00 0.00 34.95 30.57 1irg s ARG 107 CO 0.19 -1.47 1.32 0.08 -2.50 0.00 0.00 175.30 172.92 1irg s VAL 108 N 1.41 4.14 -0.22 7.11 1.01 -0.45 -1.76 120.40 131.64 1irg s VAL 108 Ca 0.19 1.32 -0.10 0.00 0.00 0.00 0.00 61.98 63.40 1irg s VAL 108 Cb -0.13 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1irg s VAL 108 CO -0.05 -0.36 0.13 -0.31 0.00 0.00 0.00 175.10 174.51 1irg s TYR 109 N 4.18 3.30 -0.29 5.22 1.51 0.13 0.12 117.35 131.52 1irg s TYR 109 Ca 0.57 0.16 -0.11 0.00 -1.01 0.00 0.00 57.07 56.68 1irg s TYR 109 Cb -0.19 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.41 1irg s TYR 109 CO 0.21 0.09 0.18 1.03 -1.11 0.00 0.00 175.55 175.95 1irg s ARG 110 N 0.84 3.79 -1.21 -0.62 0.52 -0.28 -0.93 118.95 121.07 1irg s ARG 110 Ca 0.07 -0.42 -0.12 0.00 -0.52 0.00 0.00 55.73 54.73 1irg s ARG 110 Cb -0.13 -3.64 0.18 0.00 0.52 0.00 0.00 34.95 31.89 1irg s ARG 110 CO 0.02 -0.24 1.48 -1.33 0.02 0.00 0.00 175.30 175.26 1irg n MET 111 N 5.05 3.46 -1.69 3.54 2.81 0.50 -0.10 117.12 130.68 1irg n MET 111 Ca -0.14 -3.87 -0.44 0.00 -1.81 0.00 0.00 57.70 51.44 1irg n MET 111 Cb 0.51 -2.96 -0.03 0.00 -0.71 0.00 0.00 33.22 30.04 1irg n MET 111 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 1irg n LEU 112 N 4.95 3.51 0.00 4.03 -0.00 0.62 -4.67 117.00 125.43 1irg n LEU 112 Ca 0.36 1.13 0.14 0.00 -0.00 0.00 0.00 56.01 57.64 1irg n LEU 112 Cb 0.41 -1.48 0.85 0.00 -0.00 0.00 0.00 43.42 43.20 1irg n LEU 112 CO 0.64 -0.24 1.02 -0.81 -0.00 0.00 0.00 177.39 178.01