#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 0.11 0.18 0.52 0.11 -1.26 -5.15 120.40 114.90 1irg s VAL 3 Ca 0.00 -0.89 -0.12 0.00 -2.93 0.00 0.00 61.98 58.04 1irg s VAL 3 Cb 0.00 -1.08 -0.07 0.00 -1.53 0.00 0.00 36.38 33.70 1irg s VAL 3 CO 0.00 -0.49 0.54 -1.61 -3.33 0.00 0.00 175.10 170.21 1irg s GLU 4 N -3.09 3.88 -0.45 1.54 2.02 -1.26 -5.04 118.70 116.30 1irg s GLU 4 Ca -0.01 0.37 0.06 0.00 0.02 0.00 0.00 54.97 55.40 1irg s GLU 4 Cb 0.01 -2.81 0.21 0.00 0.10 0.00 0.00 34.13 31.64 1irg s GLU 4 CO -0.07 0.41 0.46 2.89 0.02 0.00 0.00 175.26 178.97 1irg n ARG 5 N 0.39 0.73 0.00 1.61 -4.01 -1.26 -5.12 116.66 109.01 1irg n ARG 5 Ca -0.03 -3.44 0.00 0.00 -1.04 0.00 0.00 57.85 53.34 1irg n ARG 5 Cb 0.52 -1.61 0.00 0.00 -3.04 0.00 0.00 32.46 28.34 1irg n ARG 5 CO 0.00 0.00 0.00 -1.33 -3.04 0.00 0.00 177.63 173.26 1irg n MET 6 N 2.05 -0.17 -4.34 2.89 2.81 -1.26 -5.01 117.12 114.09 1irg n MET 6 Ca 0.26 0.00 -0.25 0.00 -1.81 0.00 0.00 57.70 55.90 1irg n MET 6 Cb 0.48 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.90 1irg n MET 6 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1irg s ARG 7 N -1.46 2.04 0.12 0.03 3.00 -1.26 -5.04 118.95 116.38 1irg s ARG 7 Ca 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 55.73 54.12 1irg s ARG 7 Cb 0.00 -2.06 -0.03 0.00 0.00 0.00 0.00 34.95 32.86 1irg s ARG 7 CO 0.00 0.38 1.57 1.98 0.00 0.00 0.00 175.30 179.23 1irg h MET 8 N 2.37 0.63 -0.36 3.54 1.85 -1.98 -0.64 114.93 120.34 1irg h MET 8 Ca -0.44 -0.19 0.06 0.00 -0.61 0.00 0.00 59.70 58.52 1irg h MET 8 Cb 1.23 -0.06 -0.08 0.00 0.43 0.00 0.00 31.60 33.12 1irg h MET 8 CO 0.58 0.72 -0.49 0.00 -0.40 0.00 0.00 176.91 177.31 1irg h ARG 9 N 0.45 -0.38 0.00 0.39 2.47 -2.00 -0.44 114.38 114.87 1irg h ARG 9 Ca 0.11 0.03 -0.10 0.00 -1.26 0.00 0.00 59.98 58.75 1irg h ARG 9 Cb 0.42 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1irg h ARG 9 CO 0.01 -0.25 -0.47 -1.00 0.56 0.00 0.00 179.97 178.82 1irg h PRO 10 N -0.39 0.00 0.47 0.04 0.13 -1.97 -1.33 132.00 128.94 1irg h PRO 10 Ca 0.10 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1irg h PRO 10 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1irg h PRO 10 CO -0.56 0.47 -0.34 2.35 -0.23 0.00 0.00 178.00 179.69 1irg h TRP 11 N 0.00 -0.91 -0.40 1.56 7.01 0.50 0.13 115.95 123.84 1irg h TRP 11 Ca -0.00 -0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.87 1irg h TRP 11 Cb 0.87 0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 28.25 1irg h TRP 11 CO 0.00 -0.50 -0.23 1.25 -2.79 0.00 0.00 178.44 176.17 1irg h LEU 12 N -0.79 0.83 -2.13 0.65 5.85 -1.28 -1.52 115.31 116.91 1irg h LEU 12 Ca -0.05 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.44 1irg h LEU 12 Cb 0.67 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1irg h LEU 12 CO 0.02 1.02 0.23 -0.08 -0.34 0.00 0.00 178.44 179.29 1irg h GLU 13 N 0.70 0.00 0.05 1.25 4.81 -0.82 0.16 114.58 120.73 1irg h GLU 13 Ca 0.10 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1irg h GLU 13 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1irg h GLU 13 CO 0.06 0.00 -0.52 1.49 -0.73 0.00 0.00 179.01 179.31 1irg h GLU 14 N 0.00 0.11 -0.12 1.92 4.22 0.20 -1.25 114.58 119.66 1irg h GLU 14 Ca 0.12 -0.19 0.04 0.00 0.08 0.00 0.00 59.36 59.40 1irg h GLU 14 Cb 0.59 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1irg h GLU 14 CO -0.00 1.09 0.12 1.96 -2.18 0.00 0.00 179.01 180.00 1irg h GLN 15 N -0.74 0.00 0.00 1.92 1.08 -0.39 -0.28 115.11 116.70 1irg h GLN 15 Ca -0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1irg h GLN 15 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1irg h GLN 15 CO 0.03 0.00 -0.18 0.82 -0.95 0.00 0.00 178.83 178.55 1irg h ILE 16 N 0.00 0.00 -1.10 2.54 2.04 -1.05 0.29 117.51 120.22 1irg h ILE 16 Ca 0.06 -0.57 0.32 0.00 1.00 0.00 0.00 64.86 65.66 1irg h ILE 16 Cb 0.30 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1irg h ILE 16 CO -0.00 0.00 0.94 0.78 0.00 0.00 0.00 178.15 179.87 1irg h ASN 17 N -0.57 0.00 0.10 1.72 2.35 -1.15 0.34 115.58 118.37 1irg h ASN 17 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 1irg h ASN 17 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1irg h ASN 17 CO 0.00 0.00 -1.82 0.28 -1.65 0.00 0.00 177.43 174.24 1irg h SER 18 N 0.00 0.33 -2.77 5.81 0.02 -1.16 -3.51 113.55 112.27 1irg h SER 18 Ca 0.52 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1irg h SER 18 Cb 2.41 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.84 1irg h SER 18 CO -0.01 1.78 0.00 -3.20 -1.14 0.00 0.00 176.83 174.26 1irg n ASN 19 N -3.71 -1.85 -0.01 3.07 2.85 0.12 -5.03 115.26 110.70 1irg n ASN 19 Ca -0.32 0.00 -0.00 0.00 -0.11 0.00 0.00 54.58 54.15 1irg n ASN 19 Cb 0.96 -0.92 -0.04 0.00 1.24 0.00 0.00 39.78 41.02 1irg n ASN 19 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1irg n THR 20 N -0.18 0.17 -3.99 -0.44 -1.04 -1.09 -4.98 114.28 102.73 1irg n THR 20 Ca 0.00 -0.15 -0.35 0.00 -2.04 0.00 0.00 64.05 61.51 1irg n THR 20 Cb 0.00 -0.30 -0.09 0.00 -1.82 0.00 0.00 70.33 68.12 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 -2.21 4.90 -0.90 12.58 -1.09 -1.26 -5.02 121.20 128.19 1irg s ILE 21 Ca -0.02 0.00 -0.24 0.00 -2.23 0.00 0.00 60.65 58.16 1irg s ILE 21 Cb 0.02 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1irg s ILE 21 CO 0.19 0.49 1.65 -2.16 -1.23 0.00 0.00 174.94 173.89 1irg s PRO 22 N 0.09 3.06 0.00 2.79 0.04 -1.26 -2.44 135.00 137.27 1irg s PRO 22 Ca 0.06 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.58 1irg s PRO 22 Cb -0.12 -5.00 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1irg s PRO 22 CO 0.00 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 174.77 1irg n GLY 23 N 6.56 1.17 3.43 0.56 0.00 -1.26 -4.87 105.19 110.79 1irg n GLY 23 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 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 3.19 -0.03 0.99 2.96 -1.02 -3.04 118.68 121.73 1irg s LEU 24 Ca 0.00 -0.22 -0.29 0.00 -0.22 0.00 0.00 54.13 53.40 1irg s LEU 24 Cb 0.00 -1.80 0.10 0.00 0.50 0.00 0.00 46.19 44.98 1irg s LEU 24 CO 0.00 0.07 1.30 -1.59 -1.32 0.00 0.00 176.35 174.81 1irg s LYS 25 N 0.97 0.31 -0.73 1.98 0.00 -0.41 -4.59 119.74 117.27 1irg s LYS 25 Ca 0.01 -0.20 -0.26 0.00 0.00 0.00 0.00 55.97 55.52 1irg s LYS 25 Cb -0.14 0.08 0.04 0.00 0.00 0.00 0.00 37.83 37.81 1irg s LYS 25 CO 0.01 -0.15 1.20 -1.58 0.00 0.00 0.00 175.35 174.84 1irg s TRP 26 N -2.01 2.40 0.29 1.78 0.52 -1.26 -0.66 118.94 120.00 1irg s TRP 26 Ca 0.31 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 56.22 1irg s TRP 26 Cb -0.01 -4.54 0.58 0.00 -1.15 0.00 0.00 33.47 28.36 1irg s TRP 26 CO -0.01 -1.96 1.84 -0.07 0.02 0.00 0.00 176.95 176.78 1irg h LEU 27 N 12.56 0.90 -5.79 2.99 3.38 0.16 -3.33 115.31 126.19 1irg h LEU 27 Ca -0.26 0.05 -0.35 0.00 0.09 0.00 0.00 57.88 57.41 1irg h LEU 27 Cb 1.05 -0.13 -0.27 0.00 0.09 0.00 0.00 40.66 41.40 1irg h LEU 27 CO 1.26 0.48 -0.71 0.21 0.09 0.00 0.00 178.44 179.77 1irg s ASN 28 N -5.71 0.07 0.67 -0.43 3.84 -1.00 -4.97 114.94 107.41 1irg s ASN 28 Ca -0.12 -2.19 0.40 0.00 0.21 0.00 0.00 52.86 51.16 1irg s ASN 28 Cb 0.22 0.78 2.16 0.00 -0.55 0.00 0.00 41.25 43.87 1irg s ASN 28 CO 0.81 -0.13 2.23 0.50 -2.79 0.00 0.00 177.10 177.71 1irg h LYS 29 N 5.65 0.00 -0.59 0.43 1.63 -1.75 -0.50 116.57 121.44 1irg h LYS 29 Ca 0.14 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 1irg h LYS 29 Cb 1.03 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.61 1irg h LYS 29 CO 0.18 0.00 0.34 1.49 -3.45 0.00 0.00 179.45 178.01 1irg h GLU 30 N 0.00 0.64 -0.23 1.90 4.57 -1.93 -2.19 114.58 117.34 1irg h GLU 30 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1irg h GLU 30 Cb 0.22 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1irg h GLU 30 CO -0.00 0.43 0.00 1.63 -1.18 0.00 0.00 179.01 179.89 1irg n LYS 31 N -4.78 2.16 -2.17 1.92 5.02 -0.37 -4.97 118.16 114.97 1irg n LYS 31 Ca 0.06 -1.99 -0.02 0.00 -2.02 0.00 0.00 58.31 54.33 1irg n LYS 31 Cb 0.11 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.24 -0.85 -3.91 1.97 5.02 -0.34 -4.52 118.16 116.77 1irg n LYS 32 Ca 0.15 0.11 -0.35 0.00 -2.02 0.00 0.00 58.31 56.20 1irg n LYS 32 Cb 0.54 -2.91 -0.14 0.00 -0.02 0.00 0.00 35.03 32.50 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 -3.05 3.30 -0.13 -0.18 1.09 -0.62 -1.04 121.20 120.57 1irg s ILE 33 Ca 0.00 -0.59 0.01 0.00 -1.10 0.00 0.00 60.65 58.97 1irg s ILE 33 Cb -0.00 -2.53 0.02 0.00 -1.06 0.00 0.00 42.46 38.89 1irg s ILE 33 CO 0.10 0.37 -0.14 0.72 -0.10 0.00 0.00 174.94 175.90 1irg s PHE 34 N 1.45 2.04 0.05 3.97 -0.12 -0.49 0.89 117.98 125.77 1irg s PHE 34 Ca 0.05 -1.09 -0.03 0.00 -0.05 0.00 0.00 56.93 55.81 1irg s PHE 34 Cb -0.15 -1.51 -0.04 0.00 -0.63 0.00 0.00 43.02 40.69 1irg s PHE 34 CO -0.03 -0.61 0.25 1.14 -0.05 0.00 0.00 175.22 175.92 1irg s GLN 35 N 1.40 3.50 0.18 1.99 -2.07 0.17 -0.74 119.66 124.09 1irg s GLN 35 Ca 0.02 -0.28 0.11 0.00 -1.82 0.00 0.00 55.36 53.39 1irg s GLN 35 Cb -0.13 -3.02 -0.04 0.00 -1.09 0.00 0.00 33.01 28.72 1irg s GLN 35 CO -0.08 0.60 -0.23 0.42 -1.32 0.00 0.00 175.29 174.68 1irg s ILE 36 N -1.46 2.26 -0.01 3.63 1.01 -0.76 -1.29 121.20 124.58 1irg s ILE 36 Ca 0.33 -1.98 -0.14 0.00 0.00 0.00 0.00 60.65 58.86 1irg s ILE 36 Cb -0.13 -2.06 -0.33 0.00 0.01 0.00 0.00 42.46 39.95 1irg s ILE 36 CO 0.23 -0.12 0.84 1.55 0.00 0.00 0.00 174.94 177.44 1irg h PRO 37 N 3.29 0.47 0.00 2.79 0.13 -1.80 -1.51 132.00 135.36 1irg h PRO 37 Ca -0.46 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 63.87 1irg h PRO 37 Cb 1.20 0.30 0.00 0.00 0.13 0.00 0.00 31.00 32.63 1irg h PRO 37 CO 0.47 1.38 0.00 0.91 -0.23 0.00 0.00 178.00 180.53 1irg n TRP 38 N -3.69 -0.91 -3.44 1.56 7.02 -1.26 -4.02 117.44 112.69 1irg n TRP 38 Ca -0.20 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.04 1irg n TRP 38 Cb 1.08 0.14 -0.11 0.00 -2.42 0.00 0.00 31.31 30.00 1irg n TRP 38 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1irg s MET 39 N 0.00 0.42 -0.02 -0.99 1.00 -1.26 -4.81 119.30 113.64 1irg s MET 39 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 55.69 55.02 1irg s MET 39 Cb 0.00 -0.97 0.18 0.00 0.00 0.00 0.00 34.83 34.04 1irg s MET 39 CO 0.00 -1.11 1.04 0.72 0.00 0.00 0.00 175.02 175.66 1irg n HIS 40 N 4.71 0.34 -0.08 -0.03 8.25 -1.26 -4.01 115.22 123.15 1irg n HIS 40 Ca 0.04 -0.14 -0.11 0.00 -0.26 0.00 0.00 57.72 57.24 1irg n HIS 40 Cb 0.42 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 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 0.09 1.29 -2.93 -1.41 0.00 -1.26 -4.85 120.51 111.44 1irg n ALA 41 Ca 0.07 -0.73 -0.44 0.00 0.00 0.00 0.00 53.44 52.33 1irg n ALA 41 Cb 0.26 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 19.76 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 -2.69 3.32 0.58 0.00 0.00 -1.26 -4.88 121.76 116.84 1irg s ALA 42 Ca -0.26 -1.94 0.37 0.00 0.00 0.00 0.00 51.96 50.13 1irg s ALA 42 Cb 0.05 -3.57 1.33 0.00 0.00 0.00 0.00 23.12 20.94 1irg s ALA 42 CO 0.37 -2.35 1.50 -0.09 0.00 0.00 0.00 175.76 175.19 1irg h ARG 43 N 9.23 0.00 0.00 0.00 2.43 -1.89 -3.37 114.38 120.78 1irg h ARG 43 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1irg h ARG 43 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1irg h ARG 43 CO 1.08 0.00 0.00 1.58 -1.51 0.00 0.00 179.97 181.12 1irg n HIS 44 N -3.63 0.00 -3.28 2.20 -0.00 -1.26 -5.10 115.22 104.16 1irg n HIS 44 Ca 0.30 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.41 1irg n HIS 44 Cb 1.61 0.20 -0.05 0.00 -0.12 0.00 0.00 29.99 31.63 1irg n HIS 44 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 1irg s GLY 45 N -2.79 -0.69 -0.01 1.57 0.00 -1.26 -4.95 107.32 99.19 1irg s GLY 45 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.82 1irg s GLY 45 CO 0.00 3.19 0.67 -2.67 0.00 0.00 0.00 173.10 174.28 1irg n TRP 46 N 4.97 -0.07 0.00 1.90 2.14 -1.26 -4.96 117.44 120.16 1irg n TRP 46 Ca 0.05 -0.36 0.00 0.00 2.07 0.00 0.00 57.50 59.26 1irg n TRP 46 Cb 0.51 0.45 0.00 0.00 -0.81 0.00 0.00 31.31 31.46 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 -0.05 0.00 -3.53 -0.67 8.00 -1.26 -4.88 116.55 114.16 1irg n ASP 47 Ca -0.17 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.06 1irg n ASP 47 Cb 0.55 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 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 0.53 1.04 2.53 0.31 -1.26 -4.60 118.33 116.88 1irg n VAL 48 Ca 0.00 -4.36 0.11 0.00 -0.01 0.00 0.00 64.34 60.08 1irg n VAL 48 Cb 0.00 -1.97 0.06 0.00 -0.91 0.00 0.00 33.84 31.02 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 1.90 0.46 -0.05 5.55 2.13 -1.26 -3.01 120.64 126.36 1irg n GLU 49 Ca 0.25 -0.35 -0.17 0.00 0.66 0.00 0.00 57.16 57.56 1irg n GLU 49 Cb 0.43 -1.49 -0.14 0.00 0.27 0.00 0.00 31.44 30.51 1irg n GLU 49 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1irg n LYS 50 N -0.97 0.70 -0.04 5.31 5.02 -1.26 -4.20 118.16 122.72 1irg n LYS 50 Ca 0.07 0.21 0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1irg n LYS 50 Cb 0.37 -1.65 0.17 0.00 -0.02 0.00 0.00 35.03 33.89 1irg n LYS 50 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1irg n ASP 51 N -3.25 2.95 -0.70 4.39 2.03 -1.26 -4.30 116.55 116.41 1irg n ASP 51 Ca -0.33 -1.95 0.11 0.00 0.52 0.00 0.00 54.79 53.14 1irg n ASP 51 Cb 1.05 -0.05 0.33 0.00 -0.72 0.00 0.00 41.12 41.72 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 1.26 2.49 0.08 -1.67 0.00 -1.16 -3.83 120.51 117.68 1irg n ALA 52 Ca 0.16 -0.63 -0.08 0.00 0.00 0.00 0.00 53.44 52.88 1irg n ALA 52 Cb 0.58 -1.03 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 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 2.74 0.08 0.00 0.00 0.13 -1.79 -2.89 132.00 130.28 1irg h PRO 53 Ca 0.00 -0.11 -0.15 0.00 -0.87 0.00 0.00 66.00 64.87 1irg h PRO 53 Cb 0.60 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 1irg h PRO 53 CO 0.00 0.97 -1.00 1.28 -0.23 0.00 0.00 178.00 179.01 1irg n LEU 54 N -3.51 1.84 -0.25 1.56 4.32 -1.26 -3.70 117.00 116.00 1irg n LEU 54 Ca -0.02 0.50 0.31 0.00 -0.02 0.00 0.00 56.01 56.78 1irg n LEU 54 Cb 0.88 -0.93 0.52 0.00 -1.62 0.00 0.00 43.42 42.27 1irg n LEU 54 CO 0.47 -0.01 1.29 -0.26 -1.22 0.00 0.00 177.39 177.66 1irg h PHE 55 N -1.00 0.00 0.13 -1.77 -1.00 -1.70 0.93 116.94 112.53 1irg h PHE 55 Ca -0.22 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.37 1irg h PHE 55 Cb 1.01 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.58 1irg h PHE 55 CO -0.03 0.00 -0.85 -0.09 -1.61 0.00 0.00 178.31 175.73 1irg h ARG 56 N 0.00 0.27 -1.05 1.51 1.12 -1.62 -3.16 114.38 111.45 1irg h ARG 56 Ca 0.53 -0.46 0.30 0.00 -1.11 0.00 0.00 59.98 59.24 1irg h ARG 56 Cb 2.86 0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 32.95 1irg h ARG 56 CO -0.01 1.22 0.99 -2.95 -3.11 0.00 0.00 179.97 176.11 1irg h ASN 57 N -0.41 0.00 -2.66 -3.80 7.08 0.81 -3.40 115.58 113.21 1irg h ASN 57 Ca -0.16 0.00 -0.56 0.00 -3.08 0.00 0.00 56.30 52.51 1irg h ASN 57 Cb 1.62 0.00 0.21 0.00 -2.08 0.00 0.00 38.32 38.07 1irg h ASN 57 CO 0.13 0.00 -1.08 0.79 -2.08 0.00 0.00 177.43 175.19 1irg n TRP 58 N -3.64 -2.86 0.00 4.14 5.03 -1.13 -1.19 117.44 117.79 1irg n TRP 58 Ca 0.23 0.20 0.00 0.00 3.03 0.00 0.00 57.50 60.95 1irg n TRP 58 Cb 1.32 -1.68 0.00 0.00 -1.03 0.00 0.00 31.31 29.93 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 -2.61 0.00 -0.03 6.99 0.00 -1.26 -4.41 120.51 119.19 1irg n ALA 59 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 1irg n ALA 59 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 0.91 -0.09 0.00 2.08 -0.33 -1.80 119.36 120.12 1irg n ILE 60 Ca 0.00 -0.69 -0.22 0.00 0.56 0.00 0.00 62.75 62.40 1irg n ILE 60 Cb 0.00 -0.42 -0.12 0.00 -0.75 0.00 0.00 39.64 38.35 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 0.06 0.00 1.39 2.76 -1.39 -3.35 115.15 114.62 1irg h HIS 61 Ca -0.25 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1irg h HIS 61 Cb 1.64 -0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.60 1irg h HIS 61 CO 0.00 1.53 0.00 0.25 -1.30 0.00 0.00 177.93 178.41 1irg n THR 62 N -4.33 0.67 -2.18 6.26 -2.24 -1.26 -4.93 114.28 106.27 1irg n THR 62 Ca -0.32 0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.47 1irg n THR 62 Cb 0.72 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1irg n THR 62 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1irg n GLY 63 N 0.61 -0.88 0.31 3.38 0.00 -1.20 -4.97 105.19 102.43 1irg n GLY 63 Ca 0.04 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -0.82 0.00 -3.57 1.61 5.02 -0.75 -5.03 118.16 114.62 1irg n LYS 64 Ca 0.03 -0.49 -0.06 0.00 -2.02 0.00 0.00 58.31 55.77 1irg n LYS 64 Cb 0.34 -0.30 -0.02 0.00 -0.02 0.00 0.00 35.03 35.02 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 0.00 -0.19 -0.08 2.13 5.04 -1.15 -4.96 115.29 116.08 1irg s HIS 65 Ca 0.00 0.14 0.02 0.00 -1.54 0.00 0.00 55.06 53.69 1irg s HIS 65 Cb 0.00 0.52 0.01 0.00 0.04 0.00 0.00 32.58 33.15 1irg s HIS 65 CO 0.00 -0.29 -0.15 -0.65 -2.34 0.00 0.00 174.74 171.31 1irg s GLN 66 N -2.47 1.99 0.00 2.88 -0.21 -1.26 -4.65 119.66 115.94 1irg s GLN 66 Ca 0.08 -0.51 0.29 0.00 0.02 0.00 0.00 55.36 55.24 1irg s GLN 66 Cb -0.01 -1.61 1.49 0.00 1.00 0.00 0.00 33.01 33.88 1irg s GLN 66 CO -0.06 0.04 2.02 -0.35 -2.12 0.00 0.00 175.29 174.82 1irg n PRO 67 N 3.81 0.46 -0.04 2.91 -0.04 -1.26 -2.70 135.00 138.13 1irg n PRO 67 Ca -0.22 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.31 1irg n PRO 67 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 1irg n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1irg n GLY 68 N 1.16 4.10 1.99 0.55 0.00 -1.26 -4.86 105.19 106.87 1irg n GLY 68 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.05 0.01 -3.14 -0.61 -0.00 -1.20 -5.12 119.36 108.24 1irg n ILE 69 Ca 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.67 1irg n ILE 69 Cb 0.48 -0.27 0.00 0.00 -0.00 0.00 0.00 39.64 39.85 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 -4.54 5.68 0.45 4.38 1.11 -1.10 -5.06 116.67 117.60 1irg s ASP 70 Ca 0.00 -0.39 -0.19 0.00 0.18 0.00 0.00 52.55 52.15 1irg s ASP 70 Cb 0.00 -0.78 -0.10 0.00 1.07 0.00 0.00 42.92 43.12 1irg s ASP 70 CO 0.00 -0.68 0.95 -0.54 1.18 0.00 0.00 175.17 176.08 1irg s LYS 71 N -4.30 4.13 0.43 8.23 1.02 -1.26 -4.53 119.74 123.46 1irg s LYS 71 Ca 0.52 1.05 -0.21 0.00 0.02 0.00 0.00 55.97 57.35 1irg s LYS 71 Cb -0.09 -2.18 -0.10 0.00 -0.52 0.00 0.00 37.83 34.94 1irg s LYS 71 CO 0.32 -0.10 0.98 -1.25 -0.92 0.00 0.00 175.35 174.39 1irg s PRO 72 N -3.46 4.13 -0.34 -1.68 0.04 -1.26 -4.90 135.00 127.52 1irg s PRO 72 Ca 0.61 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1irg s PRO 72 Cb -0.09 -2.24 0.14 0.00 0.04 0.00 0.00 34.50 32.35 1irg s PRO 72 CO 0.19 -0.13 0.28 -0.51 0.04 0.00 0.00 177.00 176.87 1irg s ASP 73 N -2.02 2.13 0.00 6.66 1.01 -1.26 -4.96 116.67 118.22 1irg s ASP 73 Ca 0.62 -1.62 0.27 0.00 0.71 0.00 0.00 52.55 52.53 1irg s ASP 73 Cb -0.13 0.12 1.42 0.00 1.01 0.00 0.00 42.92 45.34 1irg s ASP 73 CO 0.17 -0.32 1.92 -0.81 0.21 0.00 0.00 175.17 176.34 1irg n PRO 74 N 4.46 0.52 0.19 8.23 -0.04 -1.26 -3.25 135.00 143.86 1irg n PRO 74 Ca 0.07 0.03 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 1irg n PRO 74 Cb 0.42 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.00 0.01 0.54 2.10 -2.01 -3.19 116.57 114.03 1irg h LYS 75 Ca 0.00 0.00 -0.36 0.00 -2.00 0.00 0.00 60.65 58.29 1irg h LYS 75 Cb 0.17 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.44 1irg h LYS 75 CO 0.00 0.36 -2.28 2.41 -2.00 0.00 0.00 179.45 177.95 1irg n THR 76 N -3.63 1.48 -0.02 0.07 -1.04 -1.20 -4.15 114.28 105.79 1irg n THR 76 Ca -0.01 -0.76 0.23 0.00 -2.04 0.00 0.00 64.05 61.47 1irg n THR 76 Cb 0.48 -0.88 0.72 0.00 -1.82 0.00 0.00 70.33 68.83 1irg n THR 76 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 1irg h TRP 77 N 0.01 0.00 -0.16 -1.42 6.55 -1.62 0.20 115.95 119.51 1irg h TRP 77 Ca -0.51 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.15 1irg h TRP 77 Cb 2.11 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 30.41 1irg h TRP 77 CO 0.01 0.00 -0.65 -0.22 -1.05 0.00 0.00 178.44 176.53 1irg h LYS 78 N 0.00 0.59 -0.10 0.49 3.64 -1.71 -2.43 116.57 117.05 1irg h LYS 78 Ca 0.28 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1irg h LYS 78 Cb 1.27 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1irg h LYS 78 CO -0.00 1.05 -0.05 0.00 -2.27 0.00 0.00 179.45 178.17 1irg h ALA 79 N 0.85 0.14 -0.12 5.00 0.00 -0.81 -1.57 119.26 122.75 1irg h ALA 79 Ca -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1irg h ALA 79 Cb 1.23 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1irg h ALA 79 CO 0.12 -0.09 -0.06 -0.91 0.00 0.00 0.00 179.25 178.31 1irg h ASN 80 N -0.15 0.16 0.20 0.00 2.35 -1.49 -2.30 115.58 114.35 1irg h ASN 80 Ca 0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1irg h ASN 80 Cb 0.50 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1irg h ASN 80 CO 0.01 0.25 -0.10 0.15 -1.65 0.00 0.00 177.43 176.10 1irg h PHE 81 N 0.17 -0.26 -0.56 1.19 3.04 -1.27 -3.08 116.94 116.18 1irg h PHE 81 Ca 0.04 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.14 1irg h PHE 81 Cb 0.23 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.80 1irg h PHE 81 CO 0.00 -0.16 0.81 -0.09 -2.02 0.00 0.00 178.31 176.85 1irg h ARG 82 N -0.57 0.00 0.04 1.11 1.12 -1.28 0.23 114.38 115.02 1irg h ARG 82 Ca -0.03 0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.84 1irg h ARG 82 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.17 1irg h ARG 82 CO 0.05 0.00 -0.02 0.00 -3.11 0.00 0.00 179.97 176.89 1irg h ALA 84 N 0.57 0.09 0.00 0.00 0.00 -0.50 0.69 119.26 120.11 1irg h ALA 84 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1irg h ALA 84 Cb 0.35 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1irg h ALA 84 CO 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.72 1irg h MET 85 N -0.10 0.00 -0.00 0.00 -0.00 -1.50 -1.87 114.93 111.46 1irg h MET 85 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.85 1irg h MET 85 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 1irg h MET 85 CO -0.34 0.00 -0.36 -1.71 -0.00 0.00 0.00 176.91 174.50 1irg n ASN 86 N -2.96 0.53 0.00 -0.10 5.15 0.11 -4.82 115.26 113.17 1irg n ASN 86 Ca 0.01 -0.30 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1irg n ASN 86 Cb 0.31 0.11 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1irg n SER 87 N -1.31 0.00 -1.52 1.20 2.88 0.20 -5.01 113.62 110.06 1irg n SER 87 Ca 0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1irg n SER 87 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.40 -1.08 2.46 4.77 -1.08 -4.61 117.00 116.07 1irg n LEU 88 Ca 0.00 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1irg n LEU 88 Cb 0.00 -0.91 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 1irg n LEU 88 CO 0.00 -1.29 0.35 -0.81 -1.33 0.00 0.00 177.39 174.30 1irg n PRO 89 N 1.86 0.62 -0.25 3.23 -0.04 -1.26 -2.53 135.00 136.63 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 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 1irg n PRO 89 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1irg n ASP 90 N 0.80 0.00 -4.29 3.54 -0.08 -1.26 -4.96 116.55 110.29 1irg n ASP 90 Ca 0.00 -1.34 -0.25 0.00 -1.51 0.00 0.00 54.79 51.69 1irg n ASP 90 Cb 0.31 -0.07 -0.13 0.00 2.34 0.00 0.00 41.12 43.58 1irg n ASP 90 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1irg s ILE 91 N 0.00 1.77 -0.33 5.18 2.07 -1.05 -1.24 121.20 127.59 1irg s ILE 91 Ca 0.00 -1.53 -0.01 0.00 -1.41 0.00 0.00 60.65 57.70 1irg s ILE 91 Cb 0.00 -1.59 0.11 0.00 0.13 0.00 0.00 42.46 41.11 1irg s ILE 91 CO 0.00 -0.01 0.15 -0.70 -1.91 0.00 0.00 174.94 172.46 1irg s GLU 92 N -1.85 0.67 0.34 3.50 2.56 0.14 -4.91 118.70 119.15 1irg s GLU 92 Ca 0.07 -1.15 -0.29 0.00 0.00 0.00 0.00 54.97 53.61 1irg s GLU 92 Cb -0.10 -1.76 -0.11 0.00 2.00 0.00 0.00 34.13 34.16 1irg s GLU 92 CO 0.04 -1.06 1.40 -1.83 -0.56 0.00 0.00 175.26 173.25 1irg s GLU 93 N 1.43 4.25 -0.28 4.30 -1.05 -1.26 -1.33 118.70 124.75 1irg s GLU 93 Ca 0.12 2.37 -0.03 0.00 -0.15 0.00 0.00 54.97 57.28 1irg s GLU 93 Cb -0.19 -3.04 0.11 0.00 -0.44 0.00 0.00 34.13 30.57 1irg s GLU 93 CO -0.19 -0.36 0.18 0.08 0.95 0.00 0.00 175.26 175.92 1irg s VAL 94 N -0.96 -0.18 -0.33 1.83 1.01 0.17 -4.92 120.40 117.01 1irg s VAL 94 Ca 0.52 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.91 1irg s VAL 94 Cb -0.43 -0.96 0.39 0.00 0.00 0.00 0.00 36.38 35.39 1irg s VAL 94 CO 0.55 -0.61 1.43 2.29 0.00 0.00 0.00 175.10 178.77 1irg n LYS 95 N 5.27 2.06 0.00 2.72 2.85 -1.26 -1.01 118.16 128.79 1irg n LYS 95 Ca -0.05 -1.69 0.00 0.00 -1.05 0.00 0.00 58.31 55.52 1irg n LYS 95 Cb 0.44 -1.72 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 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 -0.23 -3.35 0.00 -5.58 9.92 -1.26 -4.90 116.55 111.14 1irg n ASP 96 Ca 0.29 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 1irg n ASP 96 Cb 1.06 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.54 1irg n ASP 96 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1irg n ARG 97 N -0.54 0.00 -0.51 -1.24 0.00 -1.26 -4.95 116.66 108.16 1irg n ARG 97 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 1irg n ARG 97 Cb 0.00 0.00 0.10 0.00 0.00 0.00 0.00 32.46 32.56 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 0.00 3.28 0.00 6.15 7.64 -1.26 -4.55 113.62 124.88 1irg n SER 98 Ca 0.00 -2.65 0.00 0.00 1.01 0.00 0.00 58.87 57.23 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 -0.13 0.00 -1.89 0.44 -0.00 -1.26 -5.08 119.36 111.45 1irg n ILE 99 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.99 1irg n ILE 99 Cb 0.95 -0.03 0.00 0.00 -0.00 0.00 0.00 39.64 40.56 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 -0.31 -0.37 -2.69 0.38 4.81 -1.26 -4.92 118.16 113.80 1irg n LYS 100 Ca 0.00 0.53 -0.06 0.00 -0.87 0.00 0.00 58.31 57.91 1irg n LYS 100 Cb 0.00 -0.51 0.08 0.00 0.02 0.00 0.00 35.03 34.62 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 1.30 0.88 0.00 1.64 2.85 -1.26 -5.08 118.16 118.49 1irg n LYS 101 Ca 0.00 -1.46 0.00 0.00 -1.05 0.00 0.00 58.31 55.80 1irg n LYS 101 Cb 0.17 -0.03 0.00 0.00 -0.65 0.00 0.00 35.03 34.52 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 -0.57 -1.60 0.00 2.58 0.00 -1.26 -5.05 105.19 99.29 1irg n GLY 102 Ca -0.11 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 -0.06 1.61 2.85 -1.26 -5.04 115.26 113.36 1irg n ASN 103 Ca 0.00 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.29 1irg n ASN 103 Cb 0.00 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.89 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1irg n ASN 104 N 0.00 1.82 -2.22 1.20 3.02 -1.26 -5.07 115.26 112.74 1irg n ASN 104 Ca 0.00 0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.58 1irg n ASN 104 Cb 0.00 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1irg n ALA 105 N -3.06 -3.29 -3.52 5.41 0.00 -1.26 -5.04 120.51 109.75 1irg n ALA 105 Ca -0.37 1.51 -0.12 0.00 0.00 0.00 0.00 53.44 54.47 1irg n ALA 105 Cb 1.03 -3.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.36 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 -0.47 -0.63 -0.46 0.00 0.08 -1.26 -4.65 117.98 110.60 1irg s PHE 106 Ca -0.17 1.43 0.03 0.00 0.12 0.00 0.00 56.93 58.33 1irg s PHE 106 Cb 0.01 0.27 0.15 0.00 -0.57 0.00 0.00 43.02 42.88 1irg s PHE 106 CO 0.46 -0.32 0.29 0.50 -0.10 0.00 0.00 175.22 176.06 1irg s ARG 107 N 0.76 1.25 -0.17 0.44 6.06 -0.57 -4.18 118.95 122.54 1irg s ARG 107 Ca -0.04 -2.11 -0.29 0.00 -2.50 0.00 0.00 55.73 50.79 1irg s ARG 107 Cb -0.05 -2.11 -0.02 0.00 0.06 0.00 0.00 34.95 32.82 1irg s ARG 107 CO -0.06 -1.24 1.43 0.08 -2.50 0.00 0.00 175.30 173.02 1irg s VAL 108 N 0.14 3.98 -0.50 7.11 1.01 -0.18 -1.83 120.40 130.13 1irg s VAL 108 Ca 0.22 1.15 -0.16 0.00 0.00 0.00 0.00 61.98 63.20 1irg s VAL 108 Cb -0.15 -3.84 0.10 0.00 0.00 0.00 0.00 36.38 32.49 1irg s VAL 108 CO -0.07 -0.21 0.44 -0.31 0.00 0.00 0.00 175.10 174.96 1irg s TYR 109 N 4.12 3.25 -0.15 5.22 1.51 0.08 0.41 117.35 131.79 1irg s TYR 109 Ca 0.63 -1.12 -0.28 0.00 -1.01 0.00 0.00 57.07 55.29 1irg s TYR 109 Cb -0.24 -3.46 -0.01 0.00 -0.11 0.00 0.00 41.96 38.14 1irg s TYR 109 CO 0.22 -0.90 0.94 0.50 -1.11 0.00 0.00 175.55 175.20 1irg s ARG 110 N 1.61 4.34 -0.02 -0.62 3.52 -0.44 -1.40 118.95 125.94 1irg s ARG 110 Ca 0.04 1.24 -0.02 0.00 -0.13 0.00 0.00 55.73 56.85 1irg s ARG 110 Cb -0.27 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1irg s ARG 110 CO 0.05 -0.38 0.13 -1.64 -0.81 0.00 0.00 175.30 172.64 1irg s MET 111 N 2.29 3.26 0.55 5.12 -1.94 -0.21 0.27 119.30 128.63 1irg s MET 111 Ca 0.44 -0.38 -0.19 0.00 -1.71 0.00 0.00 55.69 53.85 1irg s MET 111 Cb -0.17 -2.99 -0.06 0.00 2.01 0.00 0.00 34.83 33.62 1irg s MET 111 CO 0.13 0.68 1.10 -0.51 -0.01 0.00 0.00 175.02 176.41 1irg s LEU 112 N -1.71 3.71 0.00 -0.03 1.43 -0.37 -4.65 118.68 117.05 1irg s LEU 112 Ca 0.23 2.08 0.28 0.00 -1.03 0.00 0.00 54.13 55.69 1irg s LEU 112 Cb -0.12 -4.57 1.66 0.00 0.03 0.00 0.00 46.19 43.19 1irg s LEU 112 CO 0.14 -1.17 2.00 -0.81 0.23 0.00 0.00 176.35 176.75