#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 1.43 -2.71 0.52 0.31 -1.26 -4.92 118.33 111.70 1irg n VAL 3 Ca 0.00 -4.89 -0.37 0.00 -0.01 0.00 0.00 64.34 59.07 1irg n VAL 3 Cb 0.00 -1.84 0.01 0.00 -0.91 0.00 0.00 33.84 31.09 1irg n VAL 3 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1irg n GLU 4 N 0.82 4.89 -3.94 5.55 1.02 -1.26 -4.81 120.64 122.91 1irg n GLU 4 Ca 0.27 -4.71 -0.28 0.00 -0.02 0.00 0.00 57.16 52.42 1irg n GLU 4 Cb 0.46 -2.41 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1irg n ARG 5 N -0.11 -4.16 0.00 3.49 1.74 -1.26 -4.69 116.66 111.67 1irg n ARG 5 Ca 0.43 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 1irg n ARG 5 Cb 0.29 -5.01 0.00 0.00 -1.02 0.00 0.00 32.46 26.72 1irg n ARG 5 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1irg n MET 6 N -4.44 0.00 -4.22 5.56 2.81 -1.26 -4.86 117.12 110.71 1irg n MET 6 Ca -0.15 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.58 1irg n MET 6 Cb 0.61 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.04 1irg n MET 6 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1irg s ARG 7 N 0.00 1.62 0.41 0.03 3.03 -1.26 -5.03 118.95 117.75 1irg s ARG 7 Ca 0.00 -1.85 0.16 0.00 2.03 0.00 0.00 55.73 56.06 1irg s ARG 7 Cb 0.00 0.33 0.88 0.00 -1.03 0.00 0.00 34.95 35.14 1irg s ARG 7 CO 0.00 -0.60 1.89 1.98 -1.13 0.00 0.00 175.30 177.44 1irg h MET 8 N 2.27 0.00 0.88 3.89 1.85 -1.98 -1.29 114.93 120.54 1irg h MET 8 Ca -0.28 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 58.77 1irg h MET 8 Cb 1.24 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.27 1irg h MET 8 CO 0.41 0.29 -0.49 0.00 -0.40 0.00 0.00 176.91 176.73 1irg h ARG 9 N 0.00 -1.21 -0.01 0.39 3.08 -1.99 -1.02 114.38 113.62 1irg h ARG 9 Ca -0.00 0.08 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1irg h ARG 9 Cb 0.55 0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1irg h ARG 9 CO 0.04 -0.81 -0.58 -1.00 -1.07 0.00 0.00 179.97 176.55 1irg h PRO 10 N -1.26 0.03 -0.61 0.04 0.13 -1.97 -1.65 132.00 126.71 1irg h PRO 10 Ca -0.12 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.95 1irg h PRO 10 Cb 0.99 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 1irg h PRO 10 CO 0.15 0.60 0.22 2.35 -0.23 0.00 0.00 178.00 181.09 1irg h TRP 11 N 0.02 0.92 0.09 1.56 7.01 -1.10 -0.48 115.95 123.97 1irg h TRP 11 Ca -0.01 -0.06 -0.24 0.00 2.11 0.00 0.00 58.89 60.69 1irg h TRP 11 Cb 1.03 -0.28 0.02 0.00 -2.10 0.00 0.00 29.16 27.84 1irg h TRP 11 CO 0.00 0.72 -1.00 1.25 -2.79 0.00 0.00 178.44 176.63 1irg h LEU 12 N 0.88 0.71 -1.75 0.65 5.85 -0.97 -1.89 115.31 118.80 1irg h LEU 12 Ca 0.20 -0.83 0.05 0.00 0.84 0.00 0.00 57.88 58.14 1irg h LEU 12 Cb 0.21 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1irg h LEU 12 CO -0.01 1.47 0.26 -0.08 -0.34 0.00 0.00 178.44 179.74 1irg h GLU 13 N 0.05 0.31 0.03 1.25 4.81 -1.02 -0.32 114.58 119.69 1irg h GLU 13 Ca -0.15 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1irg h GLU 13 Cb 1.71 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1irg h GLU 13 CO 0.19 0.20 -0.01 0.93 -0.73 0.00 0.00 179.01 179.59 1irg h GLU 14 N 0.31 -0.04 -0.40 1.92 4.39 -1.05 -1.64 114.58 118.07 1irg h GLU 14 Ca 0.17 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.98 1irg h GLU 14 Cb 0.27 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1irg h GLU 14 CO -0.04 0.67 0.29 1.96 -1.16 0.00 0.00 179.01 180.73 1irg h GLN 15 N -0.90 0.01 0.01 2.33 1.08 -1.01 -1.26 115.11 115.37 1irg h GLN 15 Ca -0.00 -0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.16 1irg h GLN 15 Cb 0.72 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1irg h GLN 15 CO 0.01 0.01 -0.13 0.82 -0.95 0.00 0.00 178.83 178.58 1irg h ILE 16 N 0.01 1.63 -0.95 2.54 2.04 -1.08 0.29 117.51 121.99 1irg h ILE 16 Ca 0.19 -2.02 0.13 0.00 1.00 0.00 0.00 64.86 64.16 1irg h ILE 16 Cb 0.75 2.96 -0.09 0.00 -0.74 0.00 0.00 36.82 39.70 1irg h ILE 16 CO -0.00 0.54 0.58 -1.13 0.00 0.00 0.00 178.15 178.13 1irg h ASN 17 N -0.70 0.82 1.24 1.72 -0.73 -0.43 -0.39 115.58 117.11 1irg h ASN 17 Ca -0.02 0.06 -0.06 0.00 1.87 0.00 0.00 56.30 58.15 1irg h ASN 17 Cb 0.95 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 39.44 1irg h ASN 17 CO 0.03 0.42 -0.78 0.28 -0.37 0.00 0.00 177.43 177.00 1irg h SER 18 N 0.89 0.00 -4.59 1.15 0.02 -1.32 -3.49 113.55 106.21 1irg h SER 18 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1irg h SER 18 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1irg h SER 18 CO -0.29 0.22 -0.31 -3.20 -1.14 0.00 0.00 176.83 172.11 1irg n ASN 19 N -2.92 -6.13 0.06 3.07 2.85 0.98 -4.94 115.26 108.23 1irg n ASN 19 Ca -0.01 0.33 0.12 0.00 -0.11 0.00 0.00 54.58 54.91 1irg n ASN 19 Cb 0.64 -4.05 0.06 0.00 1.24 0.00 0.00 39.78 37.68 1irg n ASN 19 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1irg n THR 20 N -0.48 0.34 -5.06 -0.44 5.66 -0.92 -4.86 114.28 108.53 1irg n THR 20 Ca 0.07 -0.34 -0.28 0.00 -3.05 0.00 0.00 64.05 60.46 1irg n THR 20 Cb 0.34 -0.05 -0.16 0.00 -1.55 0.00 0.00 70.33 68.91 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 -3.24 1.70 -0.49 1.09 -1.09 -1.26 -5.07 121.20 112.83 1irg s ILE 21 Ca 0.03 -0.91 -0.28 0.00 -2.23 0.00 0.00 60.65 57.26 1irg s ILE 21 Cb 0.13 -1.42 0.01 0.00 -1.58 0.00 0.00 42.46 39.60 1irg s ILE 21 CO 0.77 0.48 1.47 -2.16 -1.23 0.00 0.00 174.94 174.27 1irg s PRO 22 N -0.42 3.37 0.00 2.79 0.04 -1.26 -2.45 135.00 137.07 1irg s PRO 22 Ca 0.06 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1irg s PRO 22 Cb -0.09 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1irg s PRO 22 CO -0.00 -1.84 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1irg n GLY 23 N 5.23 1.95 3.50 0.56 0.00 -1.26 -4.80 105.19 110.37 1irg n GLY 23 Ca 0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 3.54 0.16 0.99 2.96 -1.02 -2.74 118.68 122.56 1irg s LEU 24 Ca 0.00 -0.13 -0.23 0.00 -0.22 0.00 0.00 54.13 53.55 1irg s LEU 24 Cb 0.00 -1.93 0.08 0.00 0.50 0.00 0.00 46.19 44.84 1irg s LEU 24 CO 0.00 0.03 1.06 -1.59 -1.32 0.00 0.00 176.35 174.53 1irg s LYS 25 N 1.24 1.20 -0.66 1.98 0.00 -0.49 -4.64 119.74 118.38 1irg s LYS 25 Ca 0.05 -0.77 -0.23 0.00 0.00 0.00 0.00 55.97 55.02 1irg s LYS 25 Cb -0.14 0.34 0.07 0.00 0.00 0.00 0.00 37.83 38.10 1irg s LYS 25 CO 0.03 -0.56 0.97 -1.58 0.00 0.00 0.00 175.35 174.21 1irg s TRP 26 N -2.23 2.66 0.42 1.78 0.23 -1.26 -0.93 118.94 119.62 1irg s TRP 26 Ca 0.22 -0.54 0.11 0.00 -2.03 0.00 0.00 56.10 53.86 1irg s TRP 26 Cb -0.02 -4.30 0.96 0.00 0.03 0.00 0.00 33.47 30.14 1irg s TRP 26 CO 0.04 -1.66 2.00 -0.07 0.96 0.00 0.00 176.95 178.23 1irg h LEU 27 N 11.39 0.41 -5.09 2.99 3.38 -0.09 -3.33 115.31 124.98 1irg h LEU 27 Ca -0.29 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.46 1irg h LEU 27 Cb 1.07 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.57 1irg h LEU 27 CO 1.18 0.27 -0.53 -3.20 0.09 0.00 0.00 178.44 176.25 1irg n ASN 28 N -4.47 -2.85 0.15 -0.43 4.05 -0.90 -4.98 115.26 105.82 1irg n ASN 28 Ca 0.08 -3.14 0.19 0.00 0.45 0.00 0.00 54.58 52.15 1irg n ASN 28 Cb 0.27 1.63 0.73 0.00 1.23 0.00 0.00 39.78 43.64 1irg n ASN 28 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1irg h LYS 29 N 4.32 0.00 0.52 1.20 -0.00 -1.73 0.12 116.57 121.01 1irg h LYS 29 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.57 1irg h LYS 29 Cb 1.04 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 33.26 1irg h LYS 29 CO 0.25 0.00 -0.41 1.49 -0.00 0.00 0.00 179.45 180.77 1irg h GLU 30 N 0.00 -0.89 -0.00 0.07 4.57 -1.93 -1.09 114.58 115.31 1irg h GLU 30 Ca 0.15 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1irg h GLU 30 Cb 1.08 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1irg h GLU 30 CO -0.00 -0.59 -0.03 1.63 -1.18 0.00 0.00 179.01 178.83 1irg n LYS 31 N -5.52 0.42 -1.81 1.92 4.01 -0.43 -4.91 118.16 111.84 1irg n LYS 31 Ca -0.12 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1irg n LYS 31 Cb 0.42 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.44 1irg n LYS 31 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1irg n LYS 32 N -1.25 0.00 -3.92 1.97 3.00 0.30 -4.64 118.16 113.62 1irg n LYS 32 Ca 0.13 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.09 1irg n LYS 32 Cb 0.26 -2.21 -0.14 0.00 0.00 0.00 0.00 35.03 32.94 1irg n LYS 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1irg s ILE 33 N -2.87 3.26 -0.06 3.15 1.09 -0.59 -0.56 121.20 124.61 1irg s ILE 33 Ca 0.00 -0.61 0.03 0.00 -1.10 0.00 0.00 60.65 58.97 1irg s ILE 33 Cb 0.00 -2.52 0.00 0.00 -1.06 0.00 0.00 42.46 38.89 1irg s ILE 33 CO 0.00 0.38 -0.16 0.72 -0.10 0.00 0.00 174.94 175.78 1irg s PHE 34 N 1.45 1.71 -0.11 3.97 -0.12 -0.12 0.68 117.98 125.43 1irg s PHE 34 Ca 0.05 -0.58 -0.02 0.00 -0.05 0.00 0.00 56.93 56.33 1irg s PHE 34 Cb -0.15 -1.19 -0.03 0.00 -0.63 0.00 0.00 43.02 41.03 1irg s PHE 34 CO -0.04 -0.24 -0.04 1.14 -0.05 0.00 0.00 175.22 175.99 1irg s GLN 35 N 0.32 3.24 0.15 1.99 -2.07 -0.10 -0.50 119.66 122.69 1irg s GLN 35 Ca -0.10 -0.51 0.07 0.00 -1.82 0.00 0.00 55.36 53.00 1irg s GLN 35 Cb -0.14 -2.79 -0.04 0.00 -1.09 0.00 0.00 33.01 28.95 1irg s GLN 35 CO 0.04 0.47 -0.01 0.42 -1.32 0.00 0.00 175.29 174.88 1irg s ILE 36 N -0.25 3.74 0.00 3.63 1.01 -0.75 -1.40 121.20 127.18 1irg s ILE 36 Ca 0.04 -1.31 -0.07 0.00 0.00 0.00 0.00 60.65 59.31 1irg s ILE 36 Cb -0.13 -2.84 -0.30 0.00 0.01 0.00 0.00 42.46 39.20 1irg s ILE 36 CO 0.02 -0.03 0.87 1.55 0.00 0.00 0.00 174.94 177.35 1irg h PRO 37 N 2.97 0.33 -4.54 2.79 0.13 -1.82 0.24 132.00 132.10 1irg h PRO 37 Ca -0.47 -0.57 -0.29 0.00 -0.87 0.00 0.00 66.00 63.79 1irg h PRO 37 Cb 1.19 0.21 0.10 0.00 0.13 0.00 0.00 31.00 32.63 1irg h PRO 37 CO 0.58 1.23 -0.50 0.91 -0.23 0.00 0.00 178.00 179.98 1irg n TRP 38 N -3.54 -2.12 -1.24 1.56 7.02 -1.26 -1.67 117.44 116.19 1irg n TRP 38 Ca -0.17 0.74 -0.08 0.00 -1.02 0.00 0.00 57.50 56.96 1irg n TRP 38 Cb 1.06 -3.97 -0.04 0.00 -2.42 0.00 0.00 31.31 25.94 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 -3.81 -1.43 0.01 -0.99 2.81 -1.26 -4.79 117.12 107.66 1irg n MET 39 Ca 0.01 0.75 0.23 0.00 -1.81 0.00 0.00 57.70 56.87 1irg n MET 39 Cb 0.55 -4.98 0.70 0.00 -0.71 0.00 0.00 33.22 28.77 1irg n MET 39 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1irg h HIS 40 N 0.00 0.00 -1.72 2.03 2.76 -1.65 0.12 115.15 116.69 1irg h HIS 40 Ca -0.17 0.00 -0.64 0.00 -2.20 0.00 0.00 60.37 57.36 1irg h HIS 40 Cb 0.97 0.00 -0.38 0.00 1.55 0.00 0.00 27.41 29.54 1irg h HIS 40 CO 0.50 0.00 -0.27 0.00 -1.30 0.00 0.00 177.93 176.86 1irg n ALA 41 N -2.36 5.39 -3.86 5.26 0.00 -1.26 -4.91 120.51 118.76 1irg n ALA 41 Ca 0.11 -4.33 -0.30 0.00 0.00 0.00 0.00 53.44 48.92 1irg n ALA 41 Cb 0.82 -0.93 -0.11 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.68 3.78 0.59 0.00 0.00 0.42 -4.89 121.76 117.99 1irg s ALA 42 Ca 0.49 -3.70 0.29 0.00 0.00 0.00 0.00 51.96 49.04 1irg s ALA 42 Cb 0.39 -2.30 1.29 0.00 0.00 0.00 0.00 23.12 22.50 1irg s ALA 42 CO -0.23 -2.09 1.67 -0.09 0.00 0.00 0.00 175.76 175.01 1irg h ARG 43 N 5.80 0.00 0.00 0.00 1.12 -1.91 -2.93 114.38 116.47 1irg h ARG 43 Ca 0.09 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.87 1irg h ARG 43 Cb 0.80 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 30.67 1irg h ARG 43 CO 0.73 0.00 -0.21 1.58 -3.11 0.00 0.00 179.97 178.97 1irg n HIS 44 N -3.55 0.00 1.00 2.20 -0.00 -1.26 -4.94 115.22 108.67 1irg n HIS 44 Ca 0.16 -0.36 0.06 0.00 0.46 0.00 0.00 57.72 58.04 1irg n HIS 44 Cb 1.05 0.43 0.33 0.00 -0.12 0.00 0.00 29.99 31.68 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 0.00 -0.50 1.59 1.57 0.00 -1.11 -2.47 105.19 104.27 1irg n GLY 45 Ca -0.20 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.85 1.65 0.00 1.61 2.14 -1.26 -4.05 117.44 116.69 1irg n TRP 46 Ca 0.08 -0.70 0.00 0.00 2.07 0.00 0.00 57.50 58.95 1irg n TRP 46 Cb 0.04 -0.47 0.00 0.00 -0.81 0.00 0.00 31.31 30.07 1irg n TRP 46 CO 0.00 0.00 0.00 -3.47 2.07 0.00 0.00 177.69 176.29 1irg n ASP 47 N 0.24 0.00 -1.91 -0.67 -0.08 -1.03 -5.00 116.55 108.10 1irg n ASP 47 Ca 0.25 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.53 1irg n ASP 47 Cb 1.02 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.50 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1irg n VAL 48 N 0.00 0.36 -3.72 5.18 0.31 -1.17 -4.98 118.33 114.31 1irg n VAL 48 Ca 0.00 -1.38 -0.28 0.00 -0.01 0.00 0.00 64.34 62.67 1irg n VAL 48 Cb 0.00 1.01 -0.05 0.00 -0.91 0.00 0.00 33.84 33.89 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 -0.08 -1.37 0.05 5.55 2.13 -1.26 -4.75 120.64 120.91 1irg n GLU 49 Ca -0.01 0.09 -0.21 0.00 0.66 0.00 0.00 57.16 57.69 1irg n GLU 49 Cb 0.95 -4.30 -0.15 0.00 0.27 0.00 0.00 31.44 28.22 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 -0.56 0.32 -0.44 5.31 1.79 -1.92 -3.34 116.57 117.73 1irg h LYS 50 Ca -0.39 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.54 1irg h LYS 50 Cb 1.18 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 32.03 1irg h LYS 50 CO 0.58 1.21 0.00 -3.47 -1.08 0.00 0.00 179.45 176.69 1irg n ASP 51 N -3.51 4.31 -1.01 0.86 2.03 -1.26 -4.54 116.55 113.43 1irg n ASP 51 Ca -0.24 -2.68 0.07 0.00 0.52 0.00 0.00 54.79 52.46 1irg n ASP 51 Cb 1.06 -0.53 0.23 0.00 -0.72 0.00 0.00 41.12 41.16 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 0.31 2.65 -0.06 -1.67 0.00 -1.25 -3.74 120.51 116.75 1irg n ALA 52 Ca 0.22 -0.94 -0.14 0.00 0.00 0.00 0.00 53.44 52.58 1irg n ALA 52 Cb 0.87 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 1irg n ALA 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1irg h PRO 53 N 2.78 -0.00 0.04 0.00 0.13 -1.83 -2.84 132.00 130.28 1irg h PRO 53 Ca 0.00 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.00 1irg h PRO 53 Cb 0.84 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1irg h PRO 53 CO 0.07 0.89 -0.67 -0.07 -0.23 0.00 0.00 178.00 178.00 1irg h LEU 54 N -0.90 0.13 -1.41 1.56 4.07 -1.95 -3.24 115.31 113.58 1irg h LEU 54 Ca -0.00 -0.85 0.30 0.00 0.08 0.00 0.00 57.88 57.41 1irg h LEU 54 Cb 0.89 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 1irg h LEU 54 CO 0.00 1.28 1.06 -0.26 -1.08 0.00 0.00 178.44 179.44 1irg h PHE 55 N -0.79 0.00 0.16 1.13 -1.00 -1.72 0.91 116.94 115.62 1irg h PHE 55 Ca -0.16 0.00 -0.23 0.00 2.81 0.00 0.00 57.97 60.40 1irg h PHE 55 Cb 1.30 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.88 1irg h PHE 55 CO 0.20 0.00 -1.03 -0.09 -1.61 0.00 0.00 178.31 175.77 1irg h ARG 56 N 0.00 0.33 -0.49 1.51 1.12 -1.52 -3.13 114.38 112.20 1irg h ARG 56 Ca 0.48 -0.56 0.14 0.00 -1.11 0.00 0.00 59.98 58.93 1irg h ARG 56 Cb 2.60 0.21 -0.02 0.00 -0.01 0.00 0.00 29.97 32.75 1irg h ARG 56 CO -0.01 1.27 0.73 -2.95 -3.11 0.00 0.00 179.97 175.91 1irg h ASN 57 N -0.28 0.00 -1.70 -3.80 7.08 0.80 -3.41 115.58 114.28 1irg h ASN 57 Ca -0.19 0.00 -0.29 0.00 -3.08 0.00 0.00 56.30 52.74 1irg h ASN 57 Cb 1.75 0.00 0.16 0.00 -2.08 0.00 0.00 38.32 38.15 1irg h ASN 57 CO 0.16 0.00 -0.90 0.79 -2.08 0.00 0.00 177.43 175.39 1irg n TRP 58 N -3.28 -1.77 0.00 4.14 5.03 -1.10 -0.57 117.44 119.89 1irg n TRP 58 Ca 0.10 0.26 0.00 0.00 3.03 0.00 0.00 57.50 60.89 1irg n TRP 58 Cb 0.91 -1.42 0.00 0.00 -1.03 0.00 0.00 31.31 29.77 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 -4.02 0.00 -0.35 6.99 0.00 -1.26 -3.32 120.51 118.55 1irg n ALA 59 Ca 0.02 0.00 0.37 0.00 0.00 0.00 0.00 53.44 53.83 1irg n ALA 59 Cb 0.44 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.61 1irg n ALA 59 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1irg h ILE 60 N 0.00 0.25 0.00 0.00 5.03 -1.66 0.12 117.51 121.25 1irg h ILE 60 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1irg h ILE 60 Cb 0.00 0.28 0.00 0.00 -3.03 0.00 0.00 36.82 34.07 1irg h ILE 60 CO 0.00 0.00 0.00 1.57 -0.68 0.00 0.00 178.15 179.04 1irg n HIS 61 N -3.92 0.00 -0.25 1.37 -0.00 0.27 -4.57 115.22 108.12 1irg n HIS 61 Ca 0.27 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.35 1irg n HIS 61 Cb 1.40 -0.08 -0.07 0.00 -0.12 0.00 0.00 29.99 31.12 1irg n HIS 61 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 1irg h THR 62 N 0.00 0.03 0.00 3.57 1.35 -1.74 -3.46 112.91 112.66 1irg h THR 62 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 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 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1irg n GLY 63 N -1.36 0.28 1.20 5.82 0.00 0.41 -4.99 105.19 106.54 1irg n GLY 63 Ca 0.01 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.21 0.00 1.61 5.02 -1.14 -5.02 118.16 118.84 1irg n LYS 64 Ca 0.00 -2.00 0.00 0.00 -2.02 0.00 0.00 58.31 54.29 1irg n LYS 64 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 1irg n LYS 64 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1irg n HIS 65 N 0.19 0.00 -3.60 2.13 -0.00 -1.26 -4.89 115.22 107.79 1irg n HIS 65 Ca 0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.63 1irg n HIS 65 Cb 1.01 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.93 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 0.91 -0.02 1.57 -0.21 -1.26 -3.85 119.66 114.81 1irg s GLN 66 Ca 0.00 0.34 -0.30 0.00 0.02 0.00 0.00 55.36 55.42 1irg s GLN 66 Cb 0.00 0.43 -0.04 0.00 1.00 0.00 0.00 33.01 34.40 1irg s GLN 66 CO 0.00 -0.24 1.11 -1.25 -2.12 0.00 0.00 175.29 172.79 1irg s PRO 67 N -0.82 4.44 0.00 2.91 0.04 -1.26 -2.63 135.00 137.67 1irg s PRO 67 Ca -0.09 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1irg s PRO 67 Cb -0.02 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.05 1irg s PRO 67 CO 0.07 -0.27 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1irg n GLY 68 N 3.16 0.87 0.00 0.56 0.00 -1.26 -4.80 105.19 103.72 1irg n GLY 68 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.07 0.01 -3.66 -0.61 2.08 -1.13 -5.10 119.36 108.87 1irg n ILE 69 Ca 0.00 -0.03 -0.03 0.00 0.56 0.00 0.00 62.75 63.25 1irg n ILE 69 Cb 0.00 0.17 0.02 0.00 -0.75 0.00 0.00 39.64 39.07 1irg n ILE 69 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1irg n ASP 70 N -1.64 -1.24 -4.82 4.38 8.00 -1.08 -4.95 116.55 115.20 1irg n ASP 70 Ca -0.00 -1.73 -0.38 0.00 0.71 0.00 0.00 54.79 53.39 1irg n ASP 70 Cb 0.13 2.03 -0.06 0.00 -0.02 0.00 0.00 41.12 43.20 1irg n ASP 70 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1irg s LYS 71 N -2.04 4.14 -0.13 -1.24 2.20 -1.26 -4.77 119.74 116.63 1irg s LYS 71 Ca 0.13 0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 56.12 1irg s LYS 71 Cb -0.02 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.12 1irg s LYS 71 CO 0.05 0.60 1.09 -1.25 -0.36 0.00 0.00 175.35 175.49 1irg s PRO 72 N -1.31 4.34 -0.34 4.03 0.04 -1.26 -4.91 135.00 135.59 1irg s PRO 72 Ca 0.31 1.49 0.01 0.00 0.04 0.00 0.00 61.00 62.85 1irg s PRO 72 Cb -0.18 -3.60 0.09 0.00 0.04 0.00 0.00 34.50 30.85 1irg s PRO 72 CO 0.19 -0.47 0.06 -0.51 0.04 0.00 0.00 177.00 176.31 1irg s ASP 73 N 1.33 4.88 0.20 6.66 1.11 -1.26 -4.93 116.67 124.65 1irg s ASP 73 Ca 0.50 -1.86 0.25 0.00 0.18 0.00 0.00 52.55 51.63 1irg s ASP 73 Cb -0.19 -1.69 0.88 0.00 1.07 0.00 0.00 42.92 42.99 1irg s ASP 73 CO 0.16 -0.38 1.76 -0.81 1.18 0.00 0.00 175.17 177.08 1irg n PRO 74 N 4.44 0.22 -0.23 8.23 -0.04 -1.26 -3.22 135.00 143.13 1irg n PRO 74 Ca -0.03 0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1irg n PRO 74 Cb 0.42 -1.79 0.04 0.00 -0.04 0.00 0.00 33.50 32.13 1irg n PRO 74 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1irg h LYS 75 N 0.00 0.89 0.10 0.54 2.10 -2.02 -2.91 116.57 115.28 1irg h LYS 75 Ca 0.00 -0.09 -0.18 0.00 -2.00 0.00 0.00 60.65 58.38 1irg h LYS 75 Cb 0.61 -0.18 0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1irg h LYS 75 CO 0.00 0.65 -0.84 0.00 -2.00 0.00 0.00 179.45 177.26 1irg h THR 76 N 0.89 1.42 -1.82 0.07 1.03 -2.00 -3.29 112.91 109.20 1irg h THR 76 Ca 0.23 -2.45 0.53 0.00 -0.01 0.00 0.00 66.41 64.71 1irg h THR 76 Cb -0.00 3.07 -0.07 0.00 -1.07 0.00 0.00 68.15 70.07 1irg h THR 76 CO -0.04 0.67 1.35 -0.50 -0.01 0.00 0.00 175.52 176.99 1irg h TRP 77 N -0.50 0.00 0.07 0.00 6.55 -1.51 0.89 115.95 121.45 1irg h TRP 77 Ca -0.17 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.53 1irg h TRP 77 Cb 1.54 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.85 1irg h TRP 77 CO 0.19 0.00 -0.61 -0.22 -1.05 0.00 0.00 178.44 176.75 1irg h LYS 78 N 0.00 0.28 0.00 0.49 1.63 -1.58 -3.17 116.57 114.22 1irg h LYS 78 Ca 0.87 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1irg h LYS 78 Cb 3.55 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 35.32 1irg h LYS 78 CO -0.01 1.15 0.00 0.00 -3.45 0.00 0.00 179.45 177.14 1irg n ALA 79 N -2.63 1.58 0.98 5.00 0.00 0.29 -1.70 120.51 124.03 1irg n ALA 79 Ca -0.12 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.48 1irg n ALA 79 Cb 0.71 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.95 0.51 -0.02 0.00 3.02 -0.06 -3.97 115.26 112.79 1irg n ASN 80 Ca 0.02 -0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.13 1irg n ASN 80 Cb 0.18 0.26 -0.13 0.00 -0.61 0.00 0.00 39.78 39.47 1irg n ASN 80 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1irg h PHE 81 N 0.00 0.32 -0.26 3.10 3.04 -1.31 -3.32 116.94 118.51 1irg h PHE 81 Ca 0.00 -0.23 0.07 0.00 3.98 0.00 0.00 57.97 61.79 1irg h PHE 81 Cb 0.51 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1irg h PHE 81 CO 0.00 1.47 0.20 -0.09 -2.02 0.00 0.00 178.31 177.87 1irg h ARG 82 N -0.51 0.00 -0.51 1.11 2.43 -1.71 0.70 114.38 115.90 1irg h ARG 82 Ca -0.27 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.84 1irg h ARG 82 Cb 1.59 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.12 1irg h ARG 82 CO 0.01 0.00 0.08 0.00 -1.51 0.00 0.00 179.97 178.55 1irg h ALA 84 N 1.33 1.95 0.13 0.00 0.00 -0.95 0.53 119.26 122.24 1irg h ALA 84 Ca 0.16 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.76 1irg h ALA 84 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1irg h ALA 84 CO 0.01 -0.61 -1.47 0.52 0.00 0.00 0.00 179.25 177.70 1irg h MET 85 N 0.00 0.29 -0.37 0.00 2.07 -1.32 -3.20 114.93 112.41 1irg h MET 85 Ca 0.15 -0.49 0.00 0.00 -2.07 0.00 0.00 59.70 57.29 1irg h MET 85 Cb 1.04 0.18 0.00 0.00 -1.87 0.00 0.00 31.60 30.95 1irg h MET 85 CO -0.00 1.18 0.00 0.09 1.07 0.00 0.00 176.91 179.24 1irg n ASN 86 N -3.50 1.45 -0.83 1.22 3.02 0.17 -4.84 115.26 111.94 1irg n ASN 86 Ca -0.15 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1irg n ASN 86 Cb 1.05 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 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 0.15 0.59 -1.40 6.41 2.88 -0.07 -4.93 113.62 117.26 1irg n SER 87 Ca 0.08 -0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 1irg n SER 87 Cb 0.26 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 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 -1.09 -0.82 2.46 4.32 -1.26 -4.61 117.00 116.00 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 -0.87 0.00 0.00 -1.62 0.00 0.00 43.42 40.93 1irg n LEU 88 CO 0.00 -1.17 0.25 -0.81 -1.22 0.00 0.00 177.39 174.45 1irg n PRO 89 N 1.82 0.61 0.00 3.23 -0.04 -1.26 -2.44 135.00 136.92 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 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.51 0.54 -4.71 3.54 5.68 -1.26 -5.02 116.55 115.83 1irg n ASP 90 Ca 0.00 -0.93 -0.41 0.00 -0.50 0.00 0.00 54.79 52.95 1irg n ASP 90 Cb 0.25 0.06 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1irg s ILE 91 N -0.06 4.97 -0.43 2.12 -4.36 -1.02 -0.67 121.20 121.75 1irg s ILE 91 Ca 0.00 1.65 -0.01 0.00 -0.26 0.00 0.00 60.65 62.02 1irg s ILE 91 Cb 0.00 -4.13 0.12 0.00 1.25 0.00 0.00 42.46 39.69 1irg s ILE 91 CO 0.00 0.19 0.22 -0.70 0.24 0.00 0.00 174.94 174.89 1irg s GLU 92 N 1.06 1.99 0.25 0.37 2.56 0.40 -4.78 118.70 120.55 1irg s GLU 92 Ca 0.42 -1.97 -0.30 0.00 0.00 0.00 0.00 54.97 53.11 1irg s GLU 92 Cb -0.18 -3.53 -0.10 0.00 2.00 0.00 0.00 34.13 32.31 1irg s GLU 92 CO 0.20 -1.07 1.46 -1.83 -0.56 0.00 0.00 175.26 173.46 1irg s GLU 93 N 0.86 4.25 -0.35 4.30 -1.05 -1.26 -1.08 118.70 124.38 1irg s GLU 93 Ca 0.10 2.33 -0.00 0.00 -0.15 0.00 0.00 54.97 57.25 1irg s GLU 93 Cb -0.22 -3.10 0.14 0.00 -0.44 0.00 0.00 34.13 30.51 1irg s GLU 93 CO -0.05 -0.44 0.21 0.08 0.95 0.00 0.00 175.26 176.01 1irg s VAL 94 N 0.02 0.12 -0.31 1.83 1.01 0.21 -4.91 120.40 118.37 1irg s VAL 94 Ca 0.60 -1.66 0.09 0.00 0.00 0.00 0.00 61.98 61.01 1irg s VAL 94 Cb -0.42 -1.10 0.54 0.00 0.00 0.00 0.00 36.38 35.39 1irg s VAL 94 CO 0.43 -0.98 1.53 2.29 0.00 0.00 0.00 175.10 178.38 1irg n LYS 95 N 4.10 1.99 -1.28 2.72 2.85 -1.26 -1.23 118.16 126.05 1irg n LYS 95 Ca 0.11 -3.14 -0.48 0.00 -1.05 0.00 0.00 58.31 53.75 1irg n LYS 95 Cb 0.37 -1.88 -0.05 0.00 -0.65 0.00 0.00 35.03 32.82 1irg n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1irg n ASP 96 N -1.07 -0.49 -0.03 -5.58 5.68 -1.26 -4.86 116.55 108.94 1irg n ASP 96 Ca 0.36 1.01 -0.03 0.00 -0.50 0.00 0.00 54.79 55.64 1irg n ASP 96 Cb 1.12 -0.82 -0.04 0.00 -1.14 0.00 0.00 41.12 40.24 1irg n ASP 96 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1irg n ARG 97 N 1.13 3.05 -2.48 0.11 5.12 -1.26 -4.65 116.66 117.67 1irg n ARG 97 Ca 0.17 -0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.92 1irg n ARG 97 Cb 0.14 -1.14 0.02 0.00 -1.16 0.00 0.00 32.46 30.32 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1irg n SER 98 N -2.19 3.34 0.00 0.55 7.64 -1.26 -4.77 113.62 116.92 1irg n SER 98 Ca -0.09 -3.15 0.00 0.00 1.01 0.00 0.00 58.87 56.65 1irg n SER 98 Cb 0.66 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 -0.45 0.00 -0.03 0.44 -0.00 -1.26 -4.99 119.36 113.07 1irg n ILE 99 Ca 0.26 0.00 -0.06 0.00 -0.00 0.00 0.00 62.75 62.96 1irg n ILE 99 Cb 0.80 -0.03 -0.05 0.00 -0.00 0.00 0.00 39.64 40.37 1irg n ILE 99 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1irg h LYS 100 N 0.00 -0.05 -5.59 0.38 1.63 -1.90 -3.49 116.57 107.54 1irg h LYS 100 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1irg h LYS 100 Cb 0.00 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.61 1irg h LYS 100 CO 0.00 0.30 -0.97 1.63 -3.45 0.00 0.00 179.45 176.96 1irg n LYS 101 N -4.77 -2.63 0.00 1.90 5.02 -1.26 -5.01 118.16 111.42 1irg n LYS 101 Ca -0.04 2.21 0.00 0.00 -2.02 0.00 0.00 58.31 58.46 1irg n LYS 101 Cb 0.18 -3.40 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 1irg n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1irg n GLY 102 N 1.47 0.11 0.00 0.72 0.00 -1.26 -5.06 105.19 101.18 1irg n GLY 102 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1irg n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1irg n ASN 103 N -2.14 0.00 0.00 1.61 4.13 -1.26 -5.08 115.26 112.52 1irg n ASN 103 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1irg n ASN 103 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1irg n ASN 104 N -0.26 0.00 0.00 6.41 5.03 -1.26 -5.12 115.26 120.06 1irg n ASN 104 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1irg n ASN 104 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1irg n ALA 105 N -2.29 0.00 -2.48 5.41 0.00 -1.26 -4.98 120.51 114.90 1irg n ALA 105 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1irg n ALA 105 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 0.00 2.15 -1.07 0.00 0.40 -1.26 -4.86 117.98 113.34 1irg s PHE 106 Ca 0.00 -0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 55.50 1irg s PHE 106 Cb 0.00 -1.23 0.06 0.00 0.51 0.00 0.00 43.02 42.36 1irg s PHE 106 CO 0.00 0.41 1.48 0.50 0.70 0.00 0.00 175.22 178.31 1irg s ARG 107 N -3.68 3.68 -0.46 0.44 3.52 0.84 -4.17 118.95 119.13 1irg s ARG 107 Ca 0.31 -1.38 -0.28 0.00 -0.13 0.00 0.00 55.73 54.25 1irg s ARG 107 Cb 0.03 -5.35 0.00 0.00 -1.56 0.00 0.00 34.95 28.08 1irg s ARG 107 CO 0.14 -2.17 1.51 0.08 -0.81 0.00 0.00 175.30 174.05 1irg s VAL 108 N 4.55 3.75 -0.15 7.11 1.01 -0.36 -1.81 120.40 134.49 1irg s VAL 108 Ca 0.46 0.71 -0.14 0.00 0.00 0.00 0.00 61.98 63.01 1irg s VAL 108 Cb 0.00 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1irg s VAL 108 CO -0.06 -0.85 0.29 -0.31 0.00 0.00 0.00 175.10 174.18 1irg s TYR 109 N 6.18 3.47 -0.36 5.22 2.02 0.34 0.66 117.35 134.88 1irg s TYR 109 Ca 0.62 0.61 -0.11 0.00 -0.37 0.00 0.00 57.07 57.82 1irg s TYR 109 Cb -0.14 -2.33 0.02 0.00 -0.40 0.00 0.00 41.96 39.11 1irg s TYR 109 CO 0.29 0.26 0.20 1.03 -1.57 0.00 0.00 175.55 175.76 1irg s ARG 110 N 0.39 2.90 -1.30 -0.62 0.52 -0.24 -0.95 118.95 119.65 1irg s ARG 110 Ca 0.17 -1.03 -0.14 0.00 -0.52 0.00 0.00 55.73 54.21 1irg s ARG 110 Cb -0.13 -3.70 0.12 0.00 0.52 0.00 0.00 34.95 31.76 1irg s ARG 110 CO 0.04 -0.66 1.77 -1.33 0.02 0.00 0.00 175.30 175.14 1irg n MET 111 N 4.99 3.29 -0.74 3.54 2.81 0.27 -0.45 117.12 130.83 1irg n MET 111 Ca -0.12 -3.39 -0.32 0.00 -1.81 0.00 0.00 57.70 52.05 1irg n MET 111 Cb 0.46 -3.18 0.14 0.00 -0.71 0.00 0.00 33.22 29.94 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 6.02 0.72 0.00 4.03 -0.00 0.15 -4.63 117.00 123.30 1irg n LEU 112 Ca 0.44 0.32 0.15 0.00 -0.00 0.00 0.00 56.01 56.92 1irg n LEU 112 Cb 0.41 -1.28 0.90 0.00 -0.00 0.00 0.00 43.42 43.45 1irg n LEU 112 CO 0.76 -3.16 1.06 -0.81 -0.00 0.00 0.00 177.39 175.24