#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 5.22 -0.46 0.52 1.01 -1.26 -4.99 120.40 120.44 1irg s VAL 3 Ca 0.00 0.56 -0.32 0.00 0.00 0.00 0.00 61.98 62.22 1irg s VAL 3 Cb 0.00 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.59 1irg s VAL 3 CO 0.00 0.23 2.31 -0.62 0.00 0.00 0.00 175.10 177.02 1irg n GLU 4 N 4.79 0.98 -1.80 2.72 1.02 -1.26 -4.79 120.64 122.31 1irg n GLU 4 Ca -0.09 0.21 -0.30 0.00 -0.02 0.00 0.00 57.16 56.96 1irg n GLU 4 Cb 0.51 -2.59 0.04 0.00 -0.02 0.00 0.00 31.44 29.38 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 8.45 3.19 -0.59 3.49 1.74 -1.26 -4.69 116.66 126.99 1irg n ARG 5 Ca 0.43 -3.82 -0.08 0.00 -0.77 0.00 0.00 57.85 53.60 1irg n ARG 5 Cb 0.28 -2.28 0.12 0.00 -1.02 0.00 0.00 32.46 29.56 1irg n ARG 5 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1irg n MET 6 N -0.75 1.96 -0.73 5.56 0.00 -1.26 -4.71 117.12 117.19 1irg n MET 6 Ca 0.51 -1.55 -0.18 0.00 0.00 0.00 0.00 57.70 56.48 1irg n MET 6 Cb 0.77 -1.67 0.07 0.00 0.00 0.00 0.00 33.22 32.39 1irg n MET 6 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 1irg n ARG 7 N -0.18 -0.91 0.16 3.17 0.00 -1.26 -4.24 116.66 113.40 1irg n ARG 7 Ca 0.27 -0.27 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1irg n ARG 7 Cb 1.01 -1.22 0.50 0.00 0.00 0.00 0.00 32.46 32.75 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 -2.00 0.17 0.63 -0.14 1.85 -1.99 -1.59 114.93 111.86 1irg h MET 8 Ca -0.22 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 58.82 1irg h MET 8 Cb 0.71 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.70 1irg h MET 8 CO 0.14 0.21 -0.46 0.00 -0.40 0.00 0.00 176.91 176.39 1irg h ARG 9 N 0.17 -1.02 -0.10 0.39 3.08 -1.95 -1.62 114.38 113.34 1irg h ARG 9 Ca 0.04 0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 1irg h ARG 9 Cb 0.15 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1irg h ARG 9 CO 0.00 -0.68 -0.33 -1.00 -1.07 0.00 0.00 179.97 176.90 1irg h PRO 10 N -1.05 0.18 0.41 0.04 0.13 -1.81 -0.57 132.00 129.32 1irg h PRO 10 Ca -0.08 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1irg h PRO 10 Cb 0.87 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1irg h PRO 10 CO 0.03 0.49 -0.20 2.35 -0.23 0.00 0.00 178.00 180.45 1irg h TRP 11 N 0.16 -0.51 -0.00 1.56 7.01 -1.03 -1.31 115.95 121.83 1irg h TRP 11 Ca 0.02 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 60.91 1irg h TRP 11 Cb 0.66 0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 1irg h TRP 11 CO 0.01 -0.31 -0.49 -0.07 -2.79 0.00 0.00 178.44 174.79 1irg h LEU 12 N -0.56 0.01 -0.62 0.65 4.07 -1.22 -1.87 115.31 115.78 1irg h LEU 12 Ca -0.06 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 1irg h LEU 12 Cb 0.42 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.13 1irg h LEU 12 CO 0.09 0.49 0.39 -0.08 -1.08 0.00 0.00 178.44 178.25 1irg h GLU 13 N 0.01 0.83 -0.12 1.13 4.81 -0.71 -1.23 114.58 119.31 1irg h GLU 13 Ca -0.00 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.00 1irg h GLU 13 Cb 0.86 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.07 1irg h GLU 13 CO 0.06 0.58 -0.57 0.93 -0.73 0.00 0.00 179.01 179.29 1irg h GLU 14 N 0.84 0.59 -1.00 1.92 4.39 -1.05 -1.62 114.58 118.65 1irg h GLU 14 Ca 0.22 -0.48 0.10 0.00 0.34 0.00 0.00 59.36 59.55 1irg h GLU 14 Cb -0.05 0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 28.62 1irg h GLU 14 CO -0.04 1.10 0.64 1.96 -1.16 0.00 0.00 179.01 181.50 1irg h GLN 15 N 0.22 1.01 0.15 2.33 1.08 -1.06 -0.67 115.11 118.17 1irg h GLN 15 Ca -0.04 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1irg h GLN 15 Cb 1.21 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1irg h GLN 15 CO 0.12 0.67 -0.07 0.82 -0.95 0.00 0.00 178.83 179.42 1irg h ILE 16 N 1.05 0.55 -1.31 2.54 2.04 -1.21 0.95 117.51 122.12 1irg h ILE 16 Ca 0.48 -1.13 0.38 0.00 1.00 0.00 0.00 64.86 65.59 1irg h ILE 16 Cb 0.40 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.37 1irg h ILE 16 CO -0.24 0.16 0.91 -1.13 0.00 0.00 0.00 178.15 177.85 1irg h ASN 17 N -0.98 0.14 0.52 1.72 -1.24 -1.10 0.48 115.58 115.12 1irg h ASN 17 Ca -0.02 0.04 -0.27 0.00 0.71 0.00 0.00 56.30 56.76 1irg h ASN 17 Cb 0.42 0.03 -0.05 0.00 0.73 0.00 0.00 38.32 39.45 1irg h ASN 17 CO 0.03 -0.02 -1.67 -1.54 -1.29 0.00 0.00 177.43 172.95 1irg n SER 18 N -4.33 0.84 -1.96 1.15 3.41 -0.28 -5.03 113.62 107.43 1irg n SER 18 Ca 0.31 0.40 -0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1irg n SER 18 Cb 1.33 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 1irg n SER 18 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1irg n ASN 19 N -3.00 -3.75 0.13 4.04 5.15 0.17 -4.96 115.26 113.03 1irg n ASN 19 Ca -0.16 0.02 0.01 0.00 -0.60 0.00 0.00 54.58 53.85 1irg n ASN 19 Cb 1.01 -2.30 0.00 0.00 -0.53 0.00 0.00 39.78 37.96 1irg n ASN 19 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1irg h THR 20 N 0.23 0.99 -4.13 -0.44 1.03 -1.75 -3.45 112.91 105.40 1irg h THR 20 Ca 0.00 -2.41 -0.45 0.00 -0.01 0.00 0.00 66.41 63.54 1irg h THR 20 Cb 0.86 2.49 -0.28 0.00 -1.07 0.00 0.00 68.15 70.15 1irg h THR 20 CO 0.08 0.57 -0.80 -0.63 -0.01 0.00 0.00 175.52 174.73 1irg s ILE 21 N -2.92 1.00 -1.04 0.00 1.01 -1.26 -5.06 121.20 112.93 1irg s ILE 21 Ca 0.03 -0.62 -0.23 0.00 0.00 0.00 0.00 60.65 59.83 1irg s ILE 21 Cb 0.08 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.68 1irg s ILE 21 CO 0.76 0.22 1.79 -2.16 0.00 0.00 0.00 174.94 175.55 1irg s PRO 22 N -0.46 2.98 0.00 2.79 0.04 -1.26 -2.36 135.00 136.73 1irg s PRO 22 Ca 0.04 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.19 1irg s PRO 22 Cb -0.05 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1irg s PRO 22 CO -0.00 -3.07 0.00 0.41 0.04 0.00 0.00 177.00 174.38 1irg n GLY 23 N 6.47 0.50 3.47 0.56 0.00 -1.26 -4.97 105.19 109.96 1irg n GLY 23 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.08 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 3.32 0.21 0.99 2.96 -0.99 -2.38 118.68 122.79 1irg s LEU 24 Ca 0.00 -0.17 -0.22 0.00 -0.22 0.00 0.00 54.13 53.52 1irg s LEU 24 Cb 0.00 -1.84 0.07 0.00 0.50 0.00 0.00 46.19 44.92 1irg s LEU 24 CO 0.00 0.08 0.96 -1.59 -1.32 0.00 0.00 176.35 174.48 1irg s LYS 25 N 0.92 1.44 -0.66 1.98 0.00 -0.46 -4.60 119.74 118.36 1irg s LYS 25 Ca 0.01 -0.88 -0.23 0.00 0.00 0.00 0.00 55.97 54.87 1irg s LYS 25 Cb -0.14 0.43 0.07 0.00 0.00 0.00 0.00 37.83 38.18 1irg s LYS 25 CO 0.02 -0.67 0.98 -1.58 0.00 0.00 0.00 175.35 174.10 1irg s TRP 26 N -2.62 2.66 0.40 1.78 0.52 -1.26 -0.54 118.94 119.87 1irg s TRP 26 Ca 0.17 -0.48 0.15 0.00 0.02 0.00 0.00 56.10 55.97 1irg s TRP 26 Cb -0.03 -4.30 1.02 0.00 -1.15 0.00 0.00 33.47 29.02 1irg s TRP 26 CO 0.05 -1.66 1.84 -0.07 0.02 0.00 0.00 176.95 177.14 1irg h LEU 27 N 11.43 0.48 -5.91 2.99 3.38 0.09 -3.33 115.31 124.44 1irg h LEU 27 Ca -0.29 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 1irg h LEU 27 Cb 1.07 -0.04 -0.20 0.00 0.09 0.00 0.00 40.66 41.59 1irg h LEU 27 CO 1.18 0.18 -0.48 0.20 0.09 0.00 0.00 178.44 179.62 1irg s ASN 28 N -5.58 -1.27 0.60 -0.43 0.02 -1.07 -5.00 114.94 102.22 1irg s ASN 28 Ca -0.09 -0.99 0.34 0.00 -1.02 0.00 0.00 52.86 51.10 1irg s ASN 28 Cb 0.23 1.82 1.94 0.00 0.02 0.00 0.00 41.25 45.26 1irg s ASN 28 CO 0.79 -0.16 2.25 0.50 0.02 0.00 0.00 177.10 180.50 1irg h LYS 29 N 6.74 0.00 -0.02 -0.60 1.63 -1.77 -0.74 116.57 121.81 1irg h LYS 29 Ca 0.05 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.86 1irg h LYS 29 Cb 1.16 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1irg h LYS 29 CO 0.10 0.02 0.02 1.05 -3.45 0.00 0.00 179.45 177.19 1irg h GLU 30 N 0.00 0.00 -0.01 1.90 4.11 -1.94 -2.16 114.58 116.48 1irg h GLU 30 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1irg h GLU 30 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1irg h GLU 30 CO 0.00 0.00 -0.05 1.63 0.07 0.00 0.00 179.01 180.66 1irg n LYS 31 N -4.49 0.83 -2.41 1.06 5.02 -0.42 -5.00 118.16 112.75 1irg n LYS 31 Ca -0.02 -0.83 -0.00 0.00 -2.02 0.00 0.00 58.31 55.43 1irg n LYS 31 Cb 0.11 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 1irg n LYS 31 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1irg n LYS 32 N 0.21 -0.09 -3.78 1.97 3.00 -0.43 -4.61 118.16 114.43 1irg n LYS 32 Ca 0.04 0.01 -0.36 0.00 -0.00 0.00 0.00 58.31 58.00 1irg n LYS 32 Cb 0.19 -2.54 -0.12 0.00 0.00 0.00 0.00 35.03 32.56 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 -3.00 4.49 -0.12 3.15 1.09 -0.65 -1.00 121.20 125.15 1irg s ILE 33 Ca 0.01 -0.11 0.00 0.00 -1.10 0.00 0.00 60.65 59.45 1irg s ILE 33 Cb -0.00 -3.09 0.02 0.00 -1.06 0.00 0.00 42.46 38.32 1irg s ILE 33 CO 0.01 0.34 -0.12 0.72 -0.10 0.00 0.00 174.94 175.79 1irg s PHE 34 N 1.47 1.88 -0.17 3.97 -0.71 -0.36 0.83 117.98 124.88 1irg s PHE 34 Ca 0.06 -0.97 -0.15 0.00 -1.04 0.00 0.00 56.93 54.82 1irg s PHE 34 Cb -0.15 -1.42 -0.04 0.00 -1.21 0.00 0.00 43.02 40.20 1irg s PHE 34 CO 0.04 -0.56 0.35 -1.14 -1.34 0.00 0.00 175.22 172.58 1irg s GLN 35 N 1.41 4.23 0.09 1.99 0.74 0.30 -1.28 119.66 127.14 1irg s GLN 35 Ca 0.02 0.17 0.03 0.00 0.05 0.00 0.00 55.36 55.63 1irg s GLN 35 Cb -0.13 -3.48 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1irg s GLN 35 CO -0.07 0.11 0.07 0.42 -0.55 0.00 0.00 175.29 175.27 1irg s ILE 36 N 0.86 4.45 -0.02 -2.34 1.01 -0.69 -1.35 121.20 123.13 1irg s ILE 36 Ca 0.18 -0.83 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1irg s ILE 36 Cb -0.14 -3.16 -0.33 0.00 0.01 0.00 0.00 42.46 38.84 1irg s ILE 36 CO 0.06 0.10 0.83 1.55 0.00 0.00 0.00 174.94 177.48 1irg h PRO 37 N 3.22 0.45 -3.98 2.79 0.13 -1.72 -1.60 132.00 131.29 1irg h PRO 37 Ca -0.47 -0.77 -0.18 0.00 -0.87 0.00 0.00 66.00 63.72 1irg h PRO 37 Cb 1.17 0.29 0.09 0.00 0.13 0.00 0.00 31.00 32.67 1irg h PRO 37 CO 0.65 1.37 -0.42 0.91 -0.23 0.00 0.00 178.00 180.28 1irg n TRP 38 N -3.72 -1.18 -4.05 1.56 7.02 -1.26 -3.18 117.44 112.63 1irg n TRP 38 Ca -0.20 0.50 0.03 0.00 -1.02 0.00 0.00 57.50 56.80 1irg n TRP 38 Cb 1.06 -3.65 -0.01 0.00 -2.42 0.00 0.00 31.31 26.30 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 -2.67 -0.38 -0.66 -0.99 2.81 -1.26 -4.85 117.12 109.12 1irg n MET 39 Ca -0.15 0.25 -0.03 0.00 -1.81 0.00 0.00 57.70 55.96 1irg n MET 39 Cb 0.59 -0.46 -0.03 0.00 -0.71 0.00 0.00 33.22 32.61 1irg n MET 39 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 1irg n HIS 40 N -1.77 0.00 0.00 2.03 -0.00 -1.26 -4.80 115.22 109.42 1irg n HIS 40 Ca 0.00 -0.21 0.00 0.00 0.46 0.00 0.00 57.72 57.98 1irg n HIS 40 Cb 0.09 0.34 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 1irg n HIS 40 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1irg n ALA 41 N 0.00 0.00 -1.60 1.57 0.00 -1.26 -5.06 120.51 114.16 1irg n ALA 41 Ca -0.12 0.00 -0.57 0.00 0.00 0.00 0.00 53.44 52.75 1irg n ALA 41 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 1irg n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1irg n ALA 42 N -3.00 -1.76 -0.19 0.00 0.00 -1.26 -4.73 120.51 109.57 1irg n ALA 42 Ca 0.00 0.52 0.30 0.00 0.00 0.00 0.00 53.44 54.26 1irg n ALA 42 Cb 0.00 -1.98 0.71 0.00 0.00 0.00 0.00 19.45 18.18 1irg n ALA 42 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1irg h ARG 43 N 4.55 0.00 0.00 0.00 1.12 -1.98 -3.40 114.38 114.66 1irg h ARG 43 Ca -0.48 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 1irg h ARG 43 Cb 1.37 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.33 1irg h ARG 43 CO 0.79 0.00 0.00 1.58 -3.11 0.00 0.00 179.97 179.23 1irg n HIS 44 N -3.97 -0.39 -3.27 2.20 -0.00 -1.26 -5.09 115.22 103.45 1irg n HIS 44 Ca 0.20 0.00 -0.12 0.00 0.46 0.00 0.00 57.72 58.26 1irg n HIS 44 Cb 1.09 0.29 -0.05 0.00 -0.12 0.00 0.00 29.99 31.19 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 -2.45 -0.38 0.00 1.57 0.00 -1.26 -4.93 107.32 99.86 1irg s GLY 45 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.99 1irg s GLY 45 CO 0.00 3.02 0.67 -2.67 0.00 0.00 0.00 173.10 174.13 1irg n TRP 46 N 4.05 0.00 0.00 1.90 2.14 -1.26 -4.88 117.44 119.38 1irg n TRP 46 Ca 0.13 -0.25 0.00 0.00 2.07 0.00 0.00 57.50 59.45 1irg n TRP 46 Cb 0.49 0.37 0.00 0.00 -0.81 0.00 0.00 31.31 31.36 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 0.00 0.00 -3.52 -0.67 2.03 -1.26 -4.92 116.55 108.21 1irg n ASP 47 Ca -0.14 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.90 1irg n ASP 47 Cb 0.54 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.86 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1irg n VAL 48 N 0.00 2.06 1.48 5.18 0.31 -1.26 -4.33 118.33 121.77 1irg n VAL 48 Ca 0.00 -5.09 0.14 0.00 -0.01 0.00 0.00 64.34 59.38 1irg n VAL 48 Cb 0.00 -2.11 0.75 0.00 -0.91 0.00 0.00 33.84 31.57 1irg n VAL 48 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1irg n GLU 49 N 1.13 0.59 -0.08 5.55 0.28 -1.26 -1.28 120.64 125.57 1irg n GLU 49 Ca 0.27 0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 57.16 1irg n GLU 49 Cb 0.40 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.63 1irg n GLU 49 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1irg n LYS 50 N -1.17 0.68 -0.04 3.44 4.76 -1.26 -4.33 118.16 120.24 1irg n LYS 50 Ca 0.16 0.13 0.08 0.00 -2.87 0.00 0.00 58.31 55.82 1irg n LYS 50 Cb 0.17 -1.61 0.09 0.00 -1.84 0.00 0.00 35.03 31.84 1irg n LYS 50 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1irg n ASP 51 N -3.02 2.52 -0.83 4.39 2.03 -1.19 -4.48 116.55 115.97 1irg n ASP 51 Ca -0.32 -1.73 0.08 0.00 0.52 0.00 0.00 54.79 53.34 1irg n ASP 51 Cb 1.08 -0.05 0.23 0.00 -0.72 0.00 0.00 41.12 41.67 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 0.94 2.44 0.12 -1.67 0.00 -0.41 -3.95 120.51 117.99 1irg n ALA 52 Ca 0.11 -0.78 -0.00 0.00 0.00 0.00 0.00 53.44 52.76 1irg n ALA 52 Cb 0.43 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 18.96 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 2.76 0.00 0.00 0.00 0.13 -1.81 -2.85 132.00 130.22 1irg h PRO 53 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 1irg h PRO 53 Cb 0.63 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1irg h PRO 53 CO 0.00 0.65 -0.91 1.28 -0.23 0.00 0.00 178.00 178.79 1irg n LEU 54 N -3.40 1.88 -0.60 1.56 4.32 -1.26 -3.94 117.00 115.56 1irg n LEU 54 Ca 0.01 0.47 0.45 0.00 -0.02 0.00 0.00 56.01 56.92 1irg n LEU 54 Cb 0.74 -0.82 0.70 0.00 -1.62 0.00 0.00 43.42 42.42 1irg n LEU 54 CO 0.42 -0.27 1.28 0.49 -1.22 0.00 0.00 177.39 178.09 1irg n PHE 55 N -4.51 0.00 -0.02 -1.77 3.72 -1.25 0.13 117.46 113.76 1irg n PHE 55 Ca -0.15 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.13 1irg n PHE 55 Cb 0.44 -0.42 -0.10 0.00 -0.94 0.00 0.00 39.48 38.46 1irg n PHE 55 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1irg h ARG 56 N 0.00 -0.05 -1.13 -1.08 2.43 -1.66 -3.11 114.38 109.78 1irg h ARG 56 Ca 0.80 0.00 0.33 0.00 -0.81 0.00 0.00 59.98 60.30 1irg h ARG 56 Cb 3.24 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 32.76 1irg h ARG 56 CO -0.01 0.60 1.11 -2.95 -1.51 0.00 0.00 179.97 177.21 1irg h ASN 57 N -0.78 0.00 0.00 -3.80 7.08 0.10 -2.64 115.58 115.54 1irg h ASN 57 Ca -0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.21 1irg h ASN 57 Cb 0.67 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.91 1irg h ASN 57 CO 0.01 0.00 0.00 0.79 -2.08 0.00 0.00 177.43 176.15 1irg n TRP 58 N -3.52 0.00 -0.31 4.14 5.03 -1.16 0.11 117.44 121.73 1irg n TRP 58 Ca 0.25 0.00 0.26 0.00 3.03 0.00 0.00 57.50 61.05 1irg n TRP 58 Cb 1.46 -0.31 0.59 0.00 -1.03 0.00 0.00 31.31 32.02 1irg n TRP 58 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1irg h ALA 59 N -1.31 2.52 -1.57 6.99 0.00 -1.71 -2.72 119.26 121.46 1irg h ALA 59 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1irg h ALA 59 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1irg h ALA 59 CO 0.00 -0.89 0.00 -0.89 0.00 0.00 0.00 179.25 177.47 1irg n ILE 60 N -4.48 0.00 0.00 0.00 2.08 0.23 -1.91 119.36 115.28 1irg n ILE 60 Ca 0.25 0.24 0.00 0.00 0.56 0.00 0.00 62.75 63.80 1irg n ILE 60 Cb 0.98 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.79 1irg n ILE 60 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1irg n HIS 61 N -1.74 0.00 -0.28 1.39 -0.00 0.31 -0.27 115.22 114.63 1irg n HIS 61 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1irg n HIS 61 Cb 0.00 -0.26 0.21 0.00 -0.00 0.00 0.00 29.99 29.94 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 0.32 -0.17 3.57 1.35 -1.53 -3.46 112.91 112.98 1irg h THR 62 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1irg h THR 62 Cb 0.00 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 66.58 1irg h THR 62 CO 0.00 0.03 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 1irg n GLY 63 N -1.41 0.72 1.79 5.82 0.00 0.63 -5.04 105.19 107.71 1irg n GLY 63 Ca 0.17 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.09 2.22 0.00 1.61 5.02 -0.80 -5.01 118.16 121.11 1irg n LYS 64 Ca 0.00 -3.52 0.00 0.00 -2.02 0.00 0.00 58.31 52.77 1irg n LYS 64 Cb 0.03 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.38 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 -0.62 0.00 -3.58 2.13 -0.00 -1.10 -4.83 115.22 107.23 1irg n HIS 65 Ca 0.25 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.86 1irg n HIS 65 Cb 0.89 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.78 1irg n HIS 65 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1irg s GLN 66 N -2.00 0.27 0.35 1.57 0.74 -1.26 -4.69 119.66 114.64 1irg s GLN 66 Ca 0.00 0.79 -0.26 0.00 0.05 0.00 0.00 55.36 55.94 1irg s GLN 66 Cb 0.00 -0.05 -0.09 0.00 1.10 0.00 0.00 33.01 33.97 1irg s GLN 66 CO 0.00 -0.38 1.04 -1.25 -0.55 0.00 0.00 175.29 174.15 1irg s PRO 67 N 2.53 4.40 0.00 1.67 0.04 -1.26 -2.76 135.00 139.62 1irg s PRO 67 Ca 0.03 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1irg s PRO 67 Cb -0.13 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.61 1irg s PRO 67 CO -0.12 0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.39 1irg n GLY 68 N 0.66 2.96 0.14 0.56 0.00 -1.26 -4.76 105.19 103.49 1irg n GLY 68 Ca 0.02 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1irg n GLY 68 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1irg n ILE 69 N 0.00 1.52 -4.33 -0.61 3.06 -1.23 -5.00 119.36 112.78 1irg n ILE 69 Ca 0.00 -0.44 -0.24 0.00 -2.50 0.00 0.00 62.75 59.57 1irg n ILE 69 Cb 0.00 -1.75 -0.12 0.00 0.54 0.00 0.00 39.64 38.31 1irg n ILE 69 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1irg s ASP 70 N -7.22 2.74 0.66 9.51 1.01 -1.11 -5.12 116.67 117.15 1irg s ASP 70 Ca -0.38 -0.78 -0.17 0.00 0.71 0.00 0.00 52.55 51.93 1irg s ASP 70 Cb 0.13 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.90 1irg s ASP 70 CO 0.52 0.04 1.25 -1.59 0.21 0.00 0.00 175.17 175.60 1irg s LYS 71 N -2.35 2.49 -0.13 8.23 -2.85 -1.26 -4.53 119.74 119.33 1irg s LYS 71 Ca 0.12 1.93 -0.29 0.00 -1.00 0.00 0.00 55.97 56.73 1irg s LYS 71 Cb -0.08 -1.86 -0.01 0.00 -2.06 0.00 0.00 37.83 33.83 1irg s LYS 71 CO 0.06 -1.61 1.05 -1.25 0.10 0.00 0.00 175.35 173.70 1irg s PRO 72 N -3.53 4.36 -0.49 1.78 0.04 -1.26 -4.97 135.00 130.93 1irg s PRO 72 Ca 0.79 1.43 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1irg s PRO 72 Cb -0.34 -3.58 0.13 0.00 0.04 0.00 0.00 34.50 30.75 1irg s PRO 72 CO 0.40 -0.43 0.25 -0.51 0.04 0.00 0.00 177.00 176.75 1irg s ASP 73 N 1.22 4.70 0.00 6.66 1.01 -1.26 -4.91 116.67 124.09 1irg s ASP 73 Ca 0.49 -2.70 0.25 0.00 0.71 0.00 0.00 52.55 51.29 1irg s ASP 73 Cb -0.18 -1.70 1.08 0.00 1.01 0.00 0.00 42.92 43.13 1irg s ASP 73 CO 0.15 -0.32 1.80 -0.81 0.21 0.00 0.00 175.17 176.20 1irg n PRO 74 N 3.58 0.04 -0.07 8.23 -0.04 -1.26 -3.35 135.00 142.12 1irg n PRO 74 Ca 0.05 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.50 1irg n PRO 74 Cb 0.36 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.42 1irg n PRO 74 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1irg h LYS 75 N 0.00 0.74 0.04 0.54 3.64 -1.91 -3.00 116.57 116.62 1irg h LYS 75 Ca 0.00 -0.31 -0.28 0.00 -1.27 0.00 0.00 60.65 58.80 1irg h LYS 75 Cb 0.41 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 1irg h LYS 75 CO 0.00 0.91 -1.50 1.15 -2.27 0.00 0.00 179.45 177.74 1irg h THR 76 N 0.64 1.13 -0.08 1.00 2.02 -1.99 -3.25 112.91 112.37 1irg h THR 76 Ca 0.09 -2.89 0.02 0.00 0.77 0.00 0.00 66.41 64.40 1irg h THR 76 Cb 0.75 2.62 -0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1irg h THR 76 CO 0.06 0.72 0.15 -0.50 0.37 0.00 0.00 175.52 176.31 1irg h TRP 77 N 0.02 0.00 0.09 3.16 6.55 -1.55 -0.88 115.95 123.35 1irg h TRP 77 Ca -0.21 0.00 -0.33 0.00 0.95 0.00 0.00 58.89 59.30 1irg h TRP 77 Cb 1.95 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 30.23 1irg h TRP 77 CO 0.02 0.00 -1.82 0.87 -1.05 0.00 0.00 178.44 176.46 1irg h LYS 78 N 0.00 0.18 0.00 0.49 1.57 -1.59 -3.30 116.57 113.92 1irg h LYS 78 Ca 0.04 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1irg h LYS 78 Cb 0.33 0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1irg h LYS 78 CO -0.00 0.98 -0.07 0.00 -0.57 0.00 0.00 179.45 179.79 1irg h ALA 79 N 0.43 1.05 0.00 3.86 0.00 -1.24 -1.89 119.26 121.48 1irg h ALA 79 Ca -0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1irg h ALA 79 Cb 2.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1irg h ALA 79 CO 0.10 0.08 -0.33 -0.91 0.00 0.00 0.00 179.25 178.19 1irg h ASN 80 N 0.00 0.00 1.27 0.00 -0.26 -1.37 -3.25 115.58 111.97 1irg h ASN 80 Ca -0.00 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.54 1irg h ASN 80 Cb 0.45 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1irg h ASN 80 CO 0.01 0.04 -0.52 0.15 -1.06 0.00 0.00 177.43 176.05 1irg h PHE 81 N 0.00 0.00 0.00 1.19 3.04 -1.41 -3.08 116.94 116.68 1irg h PHE 81 Ca 0.00 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1irg h PHE 81 Cb 0.79 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.30 1irg h PHE 81 CO 0.00 0.52 -0.09 0.00 -2.02 0.00 0.00 178.31 176.72 1irg h ARG 82 N 0.00 0.00 -0.15 1.11 2.47 -1.58 -2.93 114.38 113.29 1irg h ARG 82 Ca -0.01 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.54 1irg h ARG 82 Cb 1.30 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1irg h ARG 82 CO 0.07 0.09 -0.64 0.00 0.56 0.00 0.00 179.97 180.05 1irg h ALA 84 N 0.89 1.25 0.06 0.00 0.00 -1.62 0.37 119.26 120.21 1irg h ALA 84 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1irg h ALA 84 Cb 1.20 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 1irg h ALA 84 CO 0.12 -0.25 -1.74 0.52 0.00 0.00 0.00 179.25 177.90 1irg h MET 85 N 0.00 0.13 -0.02 0.00 2.07 -1.61 -3.27 114.93 112.23 1irg h MET 85 Ca 0.00 -0.22 0.00 0.00 -2.07 0.00 0.00 59.70 57.41 1irg h MET 85 Cb 0.53 0.08 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 1irg h MET 85 CO 0.00 0.86 0.00 0.27 1.07 0.00 0.00 176.91 179.11 1irg n ASN 86 N -3.27 0.16 -0.97 1.22 6.94 0.12 -4.80 115.26 114.67 1irg n ASN 86 Ca -0.21 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 1irg n ASN 86 Cb 1.05 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.45 1irg n ASN 86 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1irg n SER 87 N -0.57 0.46 -1.72 0.53 2.88 -0.60 -4.90 113.62 109.69 1irg n SER 87 Ca 0.09 -0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 1irg n SER 87 Cb 0.06 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.40 -0.75 2.46 4.32 -1.26 -4.62 117.00 114.74 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 -0.90 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 1irg n LEU 88 CO 0.00 -1.56 0.24 -0.81 -1.22 0.00 0.00 177.39 174.04 1irg n PRO 89 N 1.89 0.63 0.00 3.23 -0.04 -1.26 -2.43 135.00 137.02 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 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 0.44 0.92 -4.79 3.54 9.92 -1.26 -5.01 116.55 120.31 1irg n ASP 90 Ca 0.00 -1.04 -0.38 0.00 -0.53 0.00 0.00 54.79 52.83 1irg n ASP 90 Cb 0.24 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.66 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 -0.04 4.97 -0.39 0.53 -4.36 -1.02 -1.36 121.20 119.53 1irg s ILE 91 Ca 0.00 1.04 0.03 0.00 -0.26 0.00 0.00 60.65 61.46 1irg s ILE 91 Cb 0.00 -3.83 0.11 0.00 1.25 0.00 0.00 42.46 39.99 1irg s ILE 91 CO 0.00 0.48 0.11 -1.61 0.24 0.00 0.00 174.94 174.16 1irg s GLU 92 N -0.51 1.65 0.15 0.37 2.02 0.11 -4.77 118.70 117.71 1irg s GLU 92 Ca 0.27 -2.02 -0.30 0.00 0.02 0.00 0.00 54.97 52.94 1irg s GLU 92 Cb -0.17 -3.28 -0.08 0.00 0.10 0.00 0.00 34.13 30.70 1irg s GLU 92 CO 0.15 -0.99 1.29 -1.83 0.02 0.00 0.00 175.26 173.90 1irg s GLU 93 N 0.70 4.40 -0.35 1.61 4.04 -1.25 -1.05 118.70 126.80 1irg s GLU 93 Ca 0.12 1.97 0.02 0.00 0.04 0.00 0.00 54.97 57.11 1irg s GLU 93 Cb -0.21 -3.25 0.11 0.00 0.02 0.00 0.00 34.13 30.80 1irg s GLU 93 CO -0.06 -0.27 0.10 0.08 -1.84 0.00 0.00 175.26 173.27 1irg s VAL 94 N 0.52 1.59 -0.17 1.83 1.01 0.17 -4.88 120.40 120.47 1irg s VAL 94 Ca 0.58 -2.01 0.14 0.00 0.00 0.00 0.00 61.98 60.70 1irg s VAL 94 Cb -0.34 -2.17 0.36 0.00 0.00 0.00 0.00 36.38 34.23 1irg s VAL 94 CO 0.34 -0.67 1.19 2.29 0.00 0.00 0.00 175.10 178.24 1irg n LYS 95 N 4.38 1.43 0.00 2.72 2.85 -1.26 -1.51 118.16 126.77 1irg n LYS 95 Ca 0.02 -2.98 0.00 0.00 -1.05 0.00 0.00 58.31 54.30 1irg n LYS 95 Cb 0.41 -1.54 0.00 0.00 -0.65 0.00 0.00 35.03 33.25 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 -1.22 -2.79 0.03 -5.58 8.00 -1.26 -4.29 116.55 109.44 1irg n ASP 96 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1irg n ASP 96 Cb 0.68 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 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 -0.10 0.00 -2.29 -1.24 3.00 -1.26 -4.93 116.66 109.84 1irg n ARG 97 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.65 1irg n ARG 97 Cb 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 32.46 32.42 1irg n ARG 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1irg n SER 98 N -2.79 4.13 0.00 6.15 7.64 -1.26 -4.76 113.62 122.74 1irg n SER 98 Ca 0.00 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.48 1irg n SER 98 Cb 0.05 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 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 -0.61 0.00 -3.00 0.44 -0.00 -1.26 -5.02 119.36 109.91 1irg n ILE 99 Ca 0.35 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.67 1irg n ILE 99 Cb 0.87 -0.08 -0.05 0.00 -0.00 0.00 0.00 39.64 40.38 1irg n ILE 99 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1irg s LYS 100 N -1.18 3.24 -0.30 0.38 2.36 -1.26 -4.80 119.74 118.18 1irg s LYS 100 Ca 0.00 -0.54 0.19 0.00 -2.55 0.00 0.00 55.97 53.07 1irg s LYS 100 Cb 0.00 -4.06 0.47 0.00 -1.05 0.00 0.00 37.83 33.19 1irg s LYS 100 CO 0.00 -1.33 1.10 1.63 1.55 0.00 0.00 175.35 178.31 1irg n LYS 101 N 6.79 1.44 0.00 4.03 5.02 -1.26 -4.90 118.16 129.27 1irg n LYS 101 Ca -0.02 -3.09 0.00 0.00 -2.02 0.00 0.00 58.31 53.17 1irg n LYS 101 Cb 0.47 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 -0.48 2.10 0.18 0.72 0.00 -1.26 -4.93 105.19 101.52 1irg n GLY 102 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1irg n GLY 102 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1irg h ASN 103 N 0.00 -0.30 0.38 1.61 -0.73 -1.91 -3.37 115.58 111.26 1irg h ASN 103 Ca 0.00 -0.12 -0.12 0.00 1.87 0.00 0.00 56.30 57.94 1irg h ASN 103 Cb 0.00 0.08 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1irg h ASN 103 CO 0.00 0.18 -1.72 0.59 -0.37 0.00 0.00 177.43 176.12 1irg n ASN 104 N -5.01 0.40 -2.88 1.15 4.13 -1.26 -5.04 115.26 106.75 1irg n ASN 104 Ca -0.06 0.17 -0.01 0.00 1.68 0.00 0.00 54.58 56.36 1irg n ASN 104 Cb 0.20 1.00 -0.01 0.00 -1.54 0.00 0.00 39.78 39.44 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 -2.37 -2.90 -3.49 5.41 0.00 -1.26 -5.00 120.51 110.90 1irg n ALA 105 Ca -0.10 0.53 -0.16 0.00 0.00 0.00 0.00 53.44 53.71 1irg n ALA 105 Cb 0.75 -1.23 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.23 -0.61 -0.31 0.00 0.08 -1.19 -4.53 117.98 110.19 1irg s PHE 106 Ca -0.03 1.23 0.02 0.00 0.12 0.00 0.00 56.93 58.27 1irg s PHE 106 Cb 0.00 0.31 0.16 0.00 -0.57 0.00 0.00 43.02 42.92 1irg s PHE 106 CO 0.50 -0.49 0.40 0.50 -0.10 0.00 0.00 175.22 176.03 1irg s ARG 107 N -0.68 0.46 -0.34 0.44 3.52 -0.60 -4.50 118.95 117.25 1irg s ARG 107 Ca -0.08 -0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 55.21 1irg s ARG 107 Cb -0.02 -0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.00 1irg s ARG 107 CO 0.06 -1.07 0.89 0.08 -0.81 0.00 0.00 175.30 174.45 1irg s VAL 108 N 2.33 4.66 -0.22 7.11 1.01 -0.57 -1.70 120.40 133.02 1irg s VAL 108 Ca 0.11 1.24 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 1irg s VAL 108 Cb -0.13 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1irg s VAL 108 CO -0.26 -0.43 0.13 -0.31 0.00 0.00 0.00 175.10 174.24 1irg s TYR 109 N 3.29 3.31 -0.27 5.22 1.51 -0.40 0.44 117.35 130.46 1irg s TYR 109 Ca 0.37 0.19 -0.10 0.00 -1.01 0.00 0.00 57.07 56.52 1irg s TYR 109 Cb -0.13 -2.21 -0.04 0.00 -0.11 0.00 0.00 41.96 39.47 1irg s TYR 109 CO 0.16 0.11 0.15 0.50 -1.11 0.00 0.00 175.55 175.36 1irg s ARG 110 N 0.80 3.86 -0.27 -0.62 3.52 -0.21 -1.22 118.95 124.80 1irg s ARG 110 Ca 0.07 -0.37 -0.11 0.00 -0.13 0.00 0.00 55.73 55.19 1irg s ARG 110 Cb -0.13 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.68 1irg s ARG 110 CO 0.02 -0.17 0.18 -1.64 -0.81 0.00 0.00 175.30 172.88 1irg s MET 111 N 1.67 3.96 0.59 5.12 -1.94 -0.17 0.09 119.30 128.62 1irg s MET 111 Ca 0.07 -0.32 -0.11 0.00 -1.71 0.00 0.00 55.69 53.63 1irg s MET 111 Cb -0.16 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.03 1irg s MET 111 CO 0.08 -0.12 0.99 -0.51 -0.01 0.00 0.00 175.02 175.45 1irg s LEU 112 N 1.57 3.32 0.00 -0.03 1.43 -0.47 -4.41 118.68 120.09 1irg s LEU 112 Ca 0.07 1.36 0.28 0.00 -1.03 0.00 0.00 54.13 54.81 1irg s LEU 112 Cb -0.15 -4.39 1.69 0.00 0.03 0.00 0.00 46.19 43.36 1irg s LEU 112 CO 0.09 -0.80 2.03 -0.81 0.23 0.00 0.00 176.35 177.08