#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 0.15 -0.36 0.52 0.11 -1.26 -5.02 120.40 114.54 1irg s VAL 3 Ca 0.00 0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 59.16 1irg s VAL 3 Cb 0.00 -0.26 0.23 0.00 -1.53 0.00 0.00 36.38 34.82 1irg s VAL 3 CO 0.00 0.15 2.06 -1.84 -3.33 0.00 0.00 175.10 172.14 1irg n GLU 4 N 4.26 1.91 -1.53 1.54 0.28 -1.26 -4.65 120.64 121.20 1irg n GLU 4 Ca -0.24 -1.76 -0.29 0.00 -0.16 0.00 0.00 57.16 54.71 1irg n GLU 4 Cb 0.50 -1.70 -0.06 0.00 1.43 0.00 0.00 31.44 31.61 1irg n GLU 4 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1irg n ARG 5 N 0.26 3.00 -0.03 3.44 1.74 -1.26 -4.96 116.66 118.86 1irg n ARG 5 Ca 0.34 -2.40 -0.03 0.00 -0.77 0.00 0.00 57.85 54.98 1irg n ARG 5 Cb 0.58 -2.29 0.03 0.00 -1.02 0.00 0.00 32.46 29.76 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 1.56 -2.24 0.00 5.56 0.00 -1.26 -5.07 117.12 115.66 1irg n MET 6 Ca 0.54 -0.15 0.00 0.00 0.00 0.00 0.00 57.70 58.09 1irg n MET 6 Cb 0.51 -0.19 0.00 0.00 0.00 0.00 0.00 33.22 33.54 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 -2.36 0.00 -0.16 3.17 3.00 -1.26 -5.02 116.66 114.03 1irg n ARG 7 Ca 0.01 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.77 1irg n ARG 7 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.52 1irg n ARG 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1irg h MET 8 N 0.00 0.75 0.22 -0.14 1.85 -1.98 -0.72 114.93 114.91 1irg h MET 8 Ca 0.00 -0.17 0.01 0.00 -0.61 0.00 0.00 59.70 58.93 1irg h MET 8 Cb 0.00 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 31.90 1irg h MET 8 CO 0.00 0.73 -0.31 0.00 -0.40 0.00 0.00 176.91 176.93 1irg h ARG 9 N 0.63 -0.57 -0.00 0.39 3.08 -1.99 -0.94 114.38 114.98 1irg h ARG 9 Ca 0.15 0.04 -0.13 0.00 0.07 0.00 0.00 59.98 60.11 1irg h ARG 9 Cb 0.31 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1irg h ARG 9 CO -0.00 -0.38 -0.60 -1.00 -1.07 0.00 0.00 179.97 176.92 1irg h PRO 10 N -0.59 0.01 -0.09 0.04 0.13 -1.95 -0.47 132.00 129.07 1irg h PRO 10 Ca 0.01 -0.01 -0.16 0.00 -0.87 0.00 0.00 66.00 64.97 1irg h PRO 10 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1irg h PRO 10 CO -0.11 0.61 -0.64 2.35 -0.23 0.00 0.00 178.00 179.97 1irg h TRP 11 N 0.01 0.47 0.03 1.56 7.01 -0.92 -0.44 115.95 123.66 1irg h TRP 11 Ca -0.01 -0.19 -0.24 0.00 2.11 0.00 0.00 58.89 60.57 1irg h TRP 11 Cb 1.06 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 28.02 1irg h TRP 11 CO 0.00 0.90 -1.14 1.25 -2.79 0.00 0.00 178.44 176.66 1irg h LEU 12 N 0.26 0.10 -0.90 0.65 5.85 -1.09 -1.79 115.31 118.39 1irg h LEU 12 Ca -0.01 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1irg h LEU 12 Cb 1.18 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1irg h LEU 12 CO 0.11 1.09 -0.46 -0.08 -0.34 0.00 0.00 178.44 178.76 1irg h GLU 13 N 0.02 0.20 0.02 1.25 4.81 -0.95 -1.09 114.58 118.84 1irg h GLU 13 Ca -0.07 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1irg h GLU 13 Cb 1.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.23 1irg h GLU 13 CO 0.14 0.62 -0.01 0.93 -0.73 0.00 0.00 179.01 179.96 1irg h GLU 14 N 0.16 -0.03 -0.92 1.92 4.39 -1.05 -0.80 114.58 118.25 1irg h GLU 14 Ca 0.01 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.80 1irg h GLU 14 Cb 0.89 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.47 1irg h GLU 14 CO 0.07 0.70 0.56 1.96 -1.16 0.00 0.00 179.01 181.15 1irg h GLN 15 N -0.89 0.93 -0.26 2.33 1.08 -1.32 -0.42 115.11 116.57 1irg h GLN 15 Ca -0.00 -0.06 -0.15 0.00 -1.45 0.00 0.00 58.65 56.99 1irg h GLN 15 Cb 0.75 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.96 1irg h GLN 15 CO 0.01 0.62 -0.42 0.82 -0.95 0.00 0.00 178.83 178.90 1irg h ILE 16 N 0.96 1.30 0.00 2.54 2.04 -1.26 -0.19 117.51 122.90 1irg h ILE 16 Ca 0.43 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 1irg h ILE 16 Cb 0.33 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1irg h ILE 16 CO -0.22 0.52 -0.12 0.78 0.00 0.00 0.00 178.15 179.11 1irg h ASN 17 N 0.48 0.00 0.64 1.72 2.35 -0.24 -2.32 115.58 118.21 1irg h ASN 17 Ca 0.02 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 1irg h ASN 17 Cb 1.02 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.35 1irg h ASN 17 CO 0.10 0.12 -1.50 -1.28 -1.65 0.00 0.00 177.43 173.21 1irg h SER 18 N 0.00 0.00 -3.40 5.81 0.87 -0.97 -3.49 113.55 112.36 1irg h SER 18 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1irg h SER 18 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1irg h SER 18 CO 0.02 0.80 -0.03 -3.20 -0.53 0.00 0.00 176.83 173.89 1irg n ASN 19 N -3.00 -2.94 0.08 6.23 5.15 -0.09 -4.97 115.26 115.71 1irg n ASN 19 Ca -0.12 -0.03 -0.11 0.00 -0.60 0.00 0.00 54.58 53.71 1irg n ASN 19 Cb 0.94 -1.64 -0.13 0.00 -0.53 0.00 0.00 39.78 38.42 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 0.02 1.61 -4.57 -0.44 1.03 -1.82 -3.45 112.91 105.29 1irg h THR 20 Ca -0.02 -3.25 -0.70 0.00 -0.01 0.00 0.00 66.41 62.43 1irg h THR 20 Cb 1.01 2.89 -0.30 0.00 -1.07 0.00 0.00 68.15 70.69 1irg h THR 20 CO 0.06 0.94 -0.89 -0.63 -0.01 0.00 0.00 175.52 174.98 1irg s ILE 21 N -2.68 2.05 -2.00 0.00 -1.09 -1.26 -4.99 121.20 111.22 1irg s ILE 21 Ca -0.01 -1.14 0.19 0.00 -2.23 0.00 0.00 60.65 57.46 1irg s ILE 21 Cb 0.09 -1.71 0.54 0.00 -1.58 0.00 0.00 42.46 39.80 1irg s ILE 21 CO 0.85 0.55 1.55 -0.81 -1.23 0.00 0.00 174.94 175.86 1irg n PRO 22 N 2.36 0.71 0.00 2.79 -0.04 -1.26 -2.45 135.00 137.11 1irg n PRO 22 Ca -0.16 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.31 1irg n PRO 22 Cb 0.51 -1.42 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1irg n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1irg n GLY 23 N 0.38 0.17 3.30 0.55 0.00 -1.26 -4.98 105.19 103.35 1irg n GLY 23 Ca 0.14 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.46 2.33 0.00 0.99 2.96 -1.02 -1.58 118.68 120.90 1irg s LEU 24 Ca 0.01 -0.45 -0.23 0.00 -0.22 0.00 0.00 54.13 53.24 1irg s LEU 24 Cb 0.01 -1.47 0.08 0.00 0.50 0.00 0.00 46.19 45.30 1irg s LEU 24 CO 0.05 0.20 1.06 2.29 -1.32 0.00 0.00 176.35 178.62 1irg n LYS 25 N 3.27 0.29 -2.94 1.98 0.00 -0.49 -4.51 118.16 115.76 1irg n LYS 25 Ca -0.18 -0.87 -0.44 0.00 -0.00 0.00 0.00 58.31 56.82 1irg n LYS 25 Cb 0.53 1.32 -0.04 0.00 -0.00 0.00 0.00 35.03 36.84 1irg n LYS 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1irg s TRP 26 N -2.28 2.80 0.28 5.58 0.23 -1.26 -1.13 118.94 123.17 1irg s TRP 26 Ca 0.25 -0.74 0.32 0.00 -2.03 0.00 0.00 56.10 53.90 1irg s TRP 26 Cb -0.01 -4.21 1.48 0.00 0.03 0.00 0.00 33.47 30.76 1irg s TRP 26 CO 0.01 -1.53 2.04 -0.07 0.96 0.00 0.00 176.95 178.36 1irg h LEU 27 N 10.86 0.00 -5.11 2.99 3.38 -0.36 -3.34 115.31 123.74 1irg h LEU 27 Ca -0.26 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.45 1irg h LEU 27 Cb 1.07 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.65 1irg h LEU 27 CO 1.15 0.08 -0.55 0.59 0.09 0.00 0.00 178.44 179.80 1irg n ASN 28 N -3.29 -2.47 0.03 -0.43 3.02 -0.88 -4.97 115.26 106.26 1irg n ASN 28 Ca -0.01 -3.32 0.21 0.00 -0.03 0.00 0.00 54.58 51.44 1irg n ASN 28 Cb 0.27 1.59 0.73 0.00 -0.61 0.00 0.00 39.78 41.77 1irg n ASN 28 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1irg h LYS 29 N 3.81 0.00 -0.75 3.52 1.63 -1.74 0.38 116.57 123.42 1irg h LYS 29 Ca -0.12 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1irg h LYS 29 Cb 1.03 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.61 1irg h LYS 29 CO 0.31 0.00 0.46 1.05 -3.45 0.00 0.00 179.45 177.82 1irg h GLU 30 N 0.00 0.85 -0.02 1.90 4.11 -1.94 -1.93 114.58 117.55 1irg h GLU 30 Ca 0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1irg h GLU 30 Cb 1.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1irg h GLU 30 CO -0.00 0.56 -0.16 1.63 0.07 0.00 0.00 179.01 181.11 1irg n LYS 31 N -4.66 1.94 -2.09 1.06 5.02 0.38 -4.97 118.16 114.84 1irg n LYS 31 Ca 0.09 -1.61 -0.01 0.00 -2.02 0.00 0.00 58.31 54.77 1irg n LYS 31 Cb 0.12 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 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 0.88 -0.21 -4.13 1.97 3.00 0.11 -4.22 118.16 115.56 1irg n LYS 32 Ca 0.12 0.03 -0.34 0.00 -0.00 0.00 0.00 58.31 58.12 1irg n LYS 32 Cb 0.55 -2.60 -0.14 0.00 0.00 0.00 0.00 35.03 32.84 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 -3.01 3.33 -0.04 3.15 1.09 -0.53 -0.58 121.20 124.61 1irg s ILE 33 Ca 0.00 -0.52 0.04 0.00 -1.10 0.00 0.00 60.65 59.07 1irg s ILE 33 Cb -0.00 -2.49 -0.00 0.00 -1.06 0.00 0.00 42.46 38.91 1irg s ILE 33 CO 0.02 0.45 -0.14 0.72 -0.10 0.00 0.00 174.94 175.89 1irg s PHE 34 N 1.14 1.45 -0.09 3.97 -0.71 -0.42 0.44 117.98 123.76 1irg s PHE 34 Ca 0.02 -0.41 0.02 0.00 -1.04 0.00 0.00 56.93 55.51 1irg s PHE 34 Cb -0.14 -1.00 -0.02 0.00 -1.21 0.00 0.00 43.02 40.65 1irg s PHE 34 CO -0.01 -0.15 -0.13 -1.14 -1.34 0.00 0.00 175.22 172.44 1irg s GLN 35 N 0.13 2.94 0.18 1.99 0.74 -0.28 -0.37 119.66 124.99 1irg s GLN 35 Ca -0.04 -0.69 0.07 0.00 0.05 0.00 0.00 55.36 54.75 1irg s GLN 35 Cb -0.11 -2.51 -0.04 0.00 1.10 0.00 0.00 33.01 31.45 1irg s GLN 35 CO 0.02 0.43 0.04 0.42 -0.55 0.00 0.00 175.29 175.65 1irg s ILE 36 N -0.21 3.94 -0.01 -2.34 1.01 -0.77 -1.40 121.20 121.42 1irg s ILE 36 Ca 0.01 -1.35 -0.08 0.00 0.00 0.00 0.00 60.65 59.22 1irg s ILE 36 Cb -0.13 -3.00 -0.30 0.00 0.01 0.00 0.00 42.46 39.04 1irg s ILE 36 CO 0.03 -0.13 0.81 1.55 0.00 0.00 0.00 174.94 177.20 1irg h PRO 37 N 2.54 0.35 0.00 2.79 0.13 -1.60 -0.34 132.00 135.87 1irg h PRO 37 Ca -0.47 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.07 1irg h PRO 37 Cb 1.21 0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1irg h PRO 37 CO 0.60 1.24 0.00 0.91 -0.23 0.00 0.00 178.00 180.52 1irg n TRP 38 N -3.54 -0.70 -3.01 1.56 7.02 -1.26 -4.16 117.44 113.35 1irg n TRP 38 Ca -0.19 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 55.94 1irg n TRP 38 Cb 1.06 0.12 -0.02 0.00 -2.42 0.00 0.00 31.31 30.05 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 -0.15 3.96 0.13 -0.99 2.81 -1.26 -4.36 117.12 117.26 1irg n MET 39 Ca 0.00 -4.68 0.12 0.00 -1.81 0.00 0.00 57.70 51.33 1irg n MET 39 Cb 0.00 -2.38 0.49 0.00 -0.71 0.00 0.00 33.22 30.62 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 0.52 0.85 -3.16 2.03 8.25 -1.26 -3.41 115.22 119.04 1irg n HIS 40 Ca 0.33 0.33 -0.27 0.00 -0.26 0.00 0.00 57.72 57.85 1irg n HIS 40 Cb 0.35 -1.03 -0.06 0.00 1.12 0.00 0.00 29.99 30.37 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 -1.79 4.42 -2.56 -1.41 0.00 -1.26 -4.95 120.51 112.96 1irg n ALA 41 Ca 0.02 -4.74 -0.42 0.00 0.00 0.00 0.00 53.44 48.30 1irg n ALA 41 Cb 0.25 -0.82 0.01 0.00 0.00 0.00 0.00 19.45 18.89 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 0.25 5.64 -0.18 0.00 0.00 -1.22 -4.76 120.51 120.25 1irg n ALA 42 Ca 0.31 -4.50 0.29 0.00 0.00 0.00 0.00 53.44 49.54 1irg n ALA 42 Cb 0.40 -2.61 0.67 0.00 0.00 0.00 0.00 19.45 17.91 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 5.22 0.00 0.00 0.00 9.65 -1.94 -3.34 114.38 123.98 1irg h ARG 43 Ca 0.39 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.27 1irg h ARG 43 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 1irg h ARG 43 CO 1.44 0.00 0.00 1.58 2.80 0.00 0.00 179.97 185.79 1irg n HIS 44 N -3.72 0.00 0.00 2.20 -0.00 -1.26 -5.02 115.22 107.42 1irg n HIS 44 Ca 0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.38 1irg n HIS 44 Cb 1.17 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 31.04 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 0.00 2.40 1.57 0.00 -1.25 -4.98 105.19 102.92 1irg n GLY 45 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.69 -1.71 0.00 1.61 2.14 -1.26 -3.95 117.44 112.58 1irg n TRP 46 Ca 0.00 0.04 0.00 0.00 2.07 0.00 0.00 57.50 59.61 1irg n TRP 46 Cb 0.18 -0.93 0.00 0.00 -0.81 0.00 0.00 31.31 29.75 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 -1.37 0.00 -2.75 -0.67 9.92 -1.26 -4.87 116.55 115.55 1irg n ASP 47 Ca 0.01 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.23 1irg n ASP 47 Cb 0.44 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 40.96 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 1.06 0.00 2.53 0.31 -1.25 -4.70 118.33 116.28 1irg n VAL 48 Ca 0.00 -2.85 0.00 0.00 -0.01 0.00 0.00 64.34 61.48 1irg n VAL 48 Cb 0.00 1.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.95 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 -0.41 0.00 0.10 5.55 2.13 -1.26 -4.92 120.64 121.82 1irg n GLU 49 Ca 0.07 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.82 1irg n GLU 49 Cb 0.81 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.49 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 0.00 -0.33 -1.84 5.31 1.79 -1.96 -2.27 116.57 117.27 1irg h LYS 50 Ca 0.00 0.02 -0.26 0.00 -2.18 0.00 0.00 60.65 58.24 1irg h LYS 50 Cb 0.00 0.08 -0.10 0.00 -1.58 0.00 0.00 32.23 30.63 1irg h LYS 50 CO 0.00 -0.22 0.14 -3.47 -1.08 0.00 0.00 179.45 174.82 1irg n ASP 51 N -3.41 5.94 -0.05 0.86 -0.08 -1.26 -4.30 116.55 114.24 1irg n ASP 51 Ca -0.04 -2.82 -0.22 0.00 -1.51 0.00 0.00 54.79 50.20 1irg n ASP 51 Cb 0.16 -1.19 -0.13 0.00 2.34 0.00 0.00 41.12 42.30 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1irg n ALA 52 N 1.19 0.86 -1.00 -1.67 0.00 -0.85 -4.17 120.51 114.87 1irg n ALA 52 Ca 0.30 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1irg n ALA 52 Cb 0.62 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.49 1irg n ALA 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1irg n PRO 53 N -3.96 0.00 0.27 0.00 -0.04 -1.26 -2.77 135.00 127.24 1irg n PRO 53 Ca -0.33 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1irg n PRO 53 Cb 0.87 -0.42 0.76 0.00 -0.04 0.00 0.00 33.50 34.67 1irg n PRO 53 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 1irg h LEU 54 N 0.00 0.00 0.03 1.53 -0.00 -1.88 0.50 115.31 115.49 1irg h LEU 54 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.60 1irg h LEU 54 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.68 1irg h LEU 54 CO 0.00 0.00 -1.13 0.15 -0.00 0.00 0.00 178.44 177.46 1irg h PHE 55 N 0.00 0.93 0.00 0.17 3.04 -1.73 -2.44 116.94 116.90 1irg h PHE 55 Ca 0.05 -0.55 0.00 0.00 3.98 0.00 0.00 57.97 61.45 1irg h PHE 55 Cb 0.84 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1irg h PHE 55 CO 0.00 1.39 0.00 -0.09 -2.02 0.00 0.00 178.31 177.59 1irg h ARG 56 N 0.30 0.00 0.00 1.11 1.12 0.03 -1.98 114.38 114.96 1irg h ARG 56 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 1irg h ARG 56 Cb 1.80 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.76 1irg h ARG 56 CO 0.21 0.00 0.00 -1.71 -3.11 0.00 0.00 179.97 175.36 1irg n ASN 57 N -2.46 0.17 0.00 -3.80 5.15 0.37 -3.84 115.26 110.84 1irg n ASN 57 Ca 0.03 0.56 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 1irg n ASN 57 Cb 0.30 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 38.96 1irg n ASN 57 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1irg n TRP 58 N -1.70 0.00 -0.41 1.20 5.03 -0.74 0.04 117.44 120.85 1irg n TRP 58 Ca 0.02 0.00 0.33 0.00 3.03 0.00 0.00 57.50 60.88 1irg n TRP 58 Cb 0.10 0.00 0.54 0.00 -1.03 0.00 0.00 31.31 30.93 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 -2.29 1.15 -0.60 6.99 0.00 -1.25 -1.61 120.51 122.91 1irg n ALA 59 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1irg n ALA 59 Cb 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 -3.91 0.00 0.00 0.00 2.08 -1.19 -1.54 119.36 114.79 1irg n ILE 60 Ca 0.31 0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.82 1irg n ILE 60 Cb 1.28 -0.78 0.00 0.00 -0.75 0.00 0.00 39.64 39.39 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 -1.34 0.00 -0.34 1.39 -0.00 0.11 -1.82 115.22 113.21 1irg n HIS 61 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1irg n HIS 61 Cb 0.00 -0.30 0.25 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 0.03 0.00 3.57 1.35 -1.34 -3.45 112.91 113.07 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 0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.44 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 -1.52 0.89 0.21 5.82 0.00 -0.76 -5.04 105.19 104.79 1irg n GLY 63 Ca 0.21 -0.82 0.05 0.00 0.00 0.00 0.00 46.02 45.46 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 0.91 0.00 1.61 5.02 -0.59 -5.01 118.16 120.09 1irg n LYS 64 Ca 0.00 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.45 1irg n LYS 64 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.79 0.00 -3.66 2.13 -0.00 -1.03 -4.88 115.22 106.99 1irg n HIS 65 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.65 1irg n HIS 65 Cb 0.62 0.00 -0.08 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 0.78 -0.31 1.57 -0.21 -1.26 -4.55 119.66 113.67 1irg s GLN 66 Ca 0.00 0.29 -0.29 0.00 0.02 0.00 0.00 55.36 55.38 1irg s GLN 66 Cb 0.00 0.36 0.00 0.00 1.00 0.00 0.00 33.01 34.38 1irg s GLN 66 CO 0.00 -0.19 1.26 -1.25 -2.12 0.00 0.00 175.29 172.98 1irg s PRO 67 N -0.71 3.94 0.00 2.91 0.04 -1.26 -2.21 135.00 137.70 1irg s PRO 67 Ca -0.08 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1irg s PRO 67 Cb -0.03 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1irg s PRO 67 CO 0.05 -1.09 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1irg n GLY 68 N 4.25 2.98 0.68 0.56 0.00 -1.26 -4.80 105.19 107.61 1irg n GLY 68 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.48 0.00 -3.60 -0.61 5.41 -1.18 -5.01 119.36 113.89 1irg n ILE 69 Ca 0.00 -0.43 -0.03 0.00 1.00 0.00 0.00 62.75 63.29 1irg n ILE 69 Cb 0.00 1.36 -0.02 0.00 -0.71 0.00 0.00 39.64 40.27 1irg n ILE 69 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1irg s ASP 70 N -1.86 -0.13 0.40 4.38 2.15 -0.94 -4.87 116.67 115.80 1irg s ASP 70 Ca 0.21 -0.05 -0.12 0.00 0.43 0.00 0.00 52.55 53.01 1irg s ASP 70 Cb 0.16 0.18 -0.07 0.00 -0.30 0.00 0.00 42.92 42.89 1irg s ASP 70 CO 0.33 -0.31 0.79 -0.54 -0.17 0.00 0.00 175.17 175.27 1irg s LYS 71 N -2.51 3.86 0.36 4.34 3.01 -1.26 -4.59 119.74 122.96 1irg s LYS 71 Ca 0.10 0.58 -0.25 0.00 -1.01 0.00 0.00 55.97 55.40 1irg s LYS 71 Cb 0.01 -2.37 -0.10 0.00 -1.01 0.00 0.00 37.83 34.36 1irg s LYS 71 CO -0.04 -0.01 0.99 -1.25 0.51 0.00 0.00 175.35 175.54 1irg s PRO 72 N -3.64 4.38 -0.31 -1.68 0.04 -1.26 -4.84 135.00 127.69 1irg s PRO 72 Ca 0.53 1.39 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1irg s PRO 72 Cb -0.10 -2.63 0.13 0.00 0.04 0.00 0.00 34.50 31.93 1irg s PRO 72 CO 0.27 0.08 0.24 0.16 0.04 0.00 0.00 177.00 177.79 1irg s ASP 73 N -1.65 2.41 0.12 6.66 -4.77 -1.26 -4.99 116.67 113.19 1irg s ASP 73 Ca 0.54 -1.21 -0.02 0.00 -3.30 0.00 0.00 52.55 48.56 1irg s ASP 73 Cb -0.19 0.11 -0.15 0.00 -1.09 0.00 0.00 42.92 41.60 1irg s ASP 73 CO 0.24 -0.38 1.26 1.55 0.70 0.00 0.00 175.17 178.54 1irg h PRO 74 N 8.01 0.28 0.09 2.11 0.13 -1.98 -2.95 132.00 137.69 1irg h PRO 74 Ca -0.11 -0.37 0.02 0.00 -0.87 0.00 0.00 66.00 64.67 1irg h PRO 74 Cb 1.04 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.24 1irg h PRO 74 CO 0.35 1.11 -0.40 -0.22 -0.23 0.00 0.00 178.00 178.60 1irg h LYS 75 N 0.13 -0.59 0.00 0.86 1.63 -2.01 -0.87 116.57 115.71 1irg h LYS 75 Ca -0.09 0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 1irg h LYS 75 Cb 1.72 0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 33.47 1irg h LYS 75 CO 0.17 -0.39 -0.32 1.15 -3.45 0.00 0.00 179.45 176.61 1irg h THR 76 N -0.61 0.98 -0.98 1.00 2.02 -2.00 -2.80 112.91 110.51 1irg h THR 76 Ca 0.03 -1.21 0.13 0.00 0.77 0.00 0.00 66.41 66.13 1irg h THR 76 Cb 0.65 1.70 -0.08 0.00 -1.74 0.00 0.00 68.15 68.68 1irg h THR 76 CO -0.25 0.31 0.62 -0.50 0.37 0.00 0.00 175.52 176.07 1irg h TRP 77 N 0.00 1.09 0.01 3.16 6.55 -0.99 -1.62 115.95 124.15 1irg h TRP 77 Ca -0.00 0.03 -0.05 0.00 0.95 0.00 0.00 58.89 59.82 1irg h TRP 77 Cb 0.67 -0.34 0.00 0.00 -0.86 0.00 0.00 29.16 28.63 1irg h TRP 77 CO 0.00 0.42 -0.20 -0.22 -1.05 0.00 0.00 178.44 177.40 1irg h LYS 78 N 0.94 0.11 -0.26 0.49 3.64 -1.18 -3.15 116.57 117.15 1irg h LYS 78 Ca 0.49 -0.14 0.08 0.00 -1.27 0.00 0.00 60.65 59.81 1irg h LYS 78 Cb 0.54 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1irg h LYS 78 CO -0.26 0.94 0.53 0.00 -2.27 0.00 0.00 179.45 178.39 1irg h ALA 79 N 0.18 1.87 -0.02 5.00 0.00 -1.30 0.12 119.26 125.10 1irg h ALA 79 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1irg h ALA 79 Cb 1.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1irg h ALA 79 CO 0.04 -0.67 -0.26 -0.91 0.00 0.00 0.00 179.25 177.46 1irg h ASN 80 N 0.00 0.26 0.56 0.00 2.35 -1.27 -3.29 115.58 114.19 1irg h ASN 80 Ca 0.13 -0.72 -0.03 0.00 -0.55 0.00 0.00 56.30 55.13 1irg h ASN 80 Cb 1.19 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.48 1irg h ASN 80 CO -0.00 0.95 -0.27 0.15 -1.65 0.00 0.00 177.43 176.60 1irg h PHE 81 N -0.40 -0.70 -1.60 1.19 3.04 -0.83 -2.44 116.94 115.20 1irg h PHE 81 Ca -0.03 -0.02 0.46 0.00 3.98 0.00 0.00 57.97 62.37 1irg h PHE 81 Cb 0.97 0.23 -0.06 0.00 2.56 0.00 0.00 35.95 39.64 1irg h PHE 81 CO 0.16 -0.39 1.19 -2.13 -2.02 0.00 0.00 178.31 175.12 1irg n ARG 82 N -5.37 0.00 -0.04 1.11 3.00 -0.82 0.13 116.66 114.67 1irg n ARG 82 Ca -0.12 0.91 -0.16 0.00 -0.00 0.00 0.00 57.85 58.48 1irg n ARG 82 Cb 0.33 -2.11 -0.13 0.00 0.00 0.00 0.00 32.46 30.55 1irg n ARG 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1irg h ALA 84 N 0.04 3.04 0.04 0.00 0.00 0.12 0.68 119.26 123.16 1irg h ALA 84 Ca -0.04 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.56 1irg h ALA 84 Cb 1.15 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1irg h ALA 84 CO 0.04 -1.48 -1.79 0.00 0.00 0.00 0.00 179.25 176.02 1irg n MET 85 N -4.30 0.67 -0.53 0.00 3.85 -1.10 -3.87 117.12 111.83 1irg n MET 85 Ca 0.31 0.29 -0.04 0.00 -1.00 0.00 0.00 57.70 57.26 1irg n MET 85 Cb 1.35 -1.77 0.15 0.00 -1.05 0.00 0.00 33.22 31.91 1irg n MET 85 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1irg n ASN 86 N -3.17 3.41 0.00 3.17 3.02 0.20 -4.85 115.26 117.04 1irg n ASN 86 Ca -0.21 -2.63 0.00 0.00 -0.03 0.00 0.00 54.58 51.71 1irg n ASN 86 Cb 1.05 -0.63 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1irg n ASN 86 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1irg n SER 87 N 0.02 0.01 -1.16 6.41 7.64 0.67 -4.95 113.62 122.26 1irg n SER 87 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1irg n SER 87 Cb 0.90 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.10 1irg n SER 87 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1irg n LEU 88 N 0.00 -0.17 0.00 -3.43 4.32 -1.26 -4.63 117.00 111.83 1irg n LEU 88 Ca 0.00 0.56 0.04 0.00 -0.02 0.00 0.00 56.01 56.59 1irg n LEU 88 Cb 0.00 -0.84 0.27 0.00 -1.62 0.00 0.00 43.42 41.23 1irg n LEU 88 CO 0.00 -0.89 0.50 -0.81 -1.22 0.00 0.00 177.39 174.97 1irg n PRO 89 N 1.78 0.54 -0.01 3.23 -0.04 -1.26 -2.19 135.00 137.06 1irg n PRO 89 Ca 0.00 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.58 1irg n PRO 89 Cb 0.00 -1.26 0.14 0.00 -0.04 0.00 0.00 33.50 32.34 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 -0.76 2.92 -4.45 3.54 5.75 -1.26 -4.91 116.55 117.39 1irg n ASP 90 Ca 0.07 -1.97 -0.31 0.00 -0.01 0.00 0.00 54.79 52.57 1irg n ASP 90 Cb 0.03 -0.01 -0.13 0.00 -1.03 0.00 0.00 41.12 39.98 1irg n ASP 90 CO 0.00 0.00 0.00 -0.51 -0.11 0.00 0.00 177.20 176.58 1irg s ILE 91 N -1.97 2.73 -0.00 2.12 2.07 -0.93 0.22 121.20 125.43 1irg s ILE 91 Ca 0.29 -1.20 0.04 0.00 -1.41 0.00 0.00 60.65 58.38 1irg s ILE 91 Cb 0.20 -2.14 -0.01 0.00 0.13 0.00 0.00 42.46 40.64 1irg s ILE 91 CO 0.30 0.35 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.94 1irg s GLU 92 N -1.40 1.03 0.20 3.50 2.02 -0.10 -4.94 118.70 119.01 1irg s GLU 92 Ca 0.14 -0.49 -0.14 0.00 0.02 0.00 0.00 54.97 54.51 1irg s GLU 92 Cb -0.10 -1.00 -0.07 0.00 0.10 0.00 0.00 34.13 33.05 1irg s GLU 92 CO 0.05 0.27 0.59 -1.83 0.02 0.00 0.00 175.26 174.36 1irg s GLU 93 N -0.39 3.96 -0.42 1.61 -1.05 -1.26 -0.58 118.70 120.57 1irg s GLU 93 Ca 0.05 0.49 0.04 0.00 -0.15 0.00 0.00 54.97 55.40 1irg s GLU 93 Cb -0.05 -2.79 0.17 0.00 -0.44 0.00 0.00 34.13 31.02 1irg s GLU 93 CO -0.00 0.39 0.45 0.08 0.95 0.00 0.00 175.26 177.12 1irg s VAL 94 N -1.63 -0.25 -0.38 1.83 1.01 0.28 -4.92 120.40 116.35 1irg s VAL 94 Ca 0.43 -1.61 0.06 0.00 0.00 0.00 0.00 61.98 60.86 1irg s VAL 94 Cb -0.14 -0.72 0.62 0.00 0.00 0.00 0.00 36.38 36.15 1irg s VAL 94 CO 0.20 -0.69 1.75 2.29 0.00 0.00 0.00 175.10 178.65 1irg n LYS 95 N 3.40 2.29 -2.92 2.72 2.85 -1.26 -1.02 118.16 124.22 1irg n LYS 95 Ca 0.20 -3.07 -0.02 0.00 -1.05 0.00 0.00 58.31 54.37 1irg n LYS 95 Cb 0.49 -2.06 -0.01 0.00 -0.65 0.00 0.00 35.03 32.79 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 -1.02 -5.48 0.27 -5.58 8.00 -1.26 -4.76 116.55 106.72 1irg n ASP 96 Ca 0.49 1.02 0.12 0.00 0.71 0.00 0.00 54.79 57.13 1irg n ASP 96 Cb 1.43 -3.08 0.78 0.00 -0.02 0.00 0.00 41.12 40.22 1irg n ASP 96 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1irg h ARG 97 N 4.26 0.00 0.00 -1.24 2.43 -1.96 -3.36 114.38 114.51 1irg h ARG 97 Ca -0.16 0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.82 1irg h ARG 97 Cb 0.56 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 29.97 1irg h ARG 97 CO 0.02 0.04 -0.27 0.43 -1.51 0.00 0.00 179.97 178.68 1irg n SER 98 N -4.02 -1.96 0.00 -3.80 7.64 -1.26 -5.04 113.62 105.18 1irg n SER 98 Ca -0.03 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.83 1irg n SER 98 Cb 0.13 1.61 0.00 0.00 -1.01 0.00 0.00 64.21 64.94 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 0.28 0.00 -2.96 0.44 2.08 -1.26 -4.98 119.36 112.96 1irg n ILE 99 Ca 0.01 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 62.88 1irg n ILE 99 Cb 0.73 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.62 1irg n ILE 99 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 1irg n LYS 100 N -2.40 3.39 -3.39 0.38 5.02 -1.26 -4.83 118.16 115.07 1irg n LYS 100 Ca 0.00 -3.89 -0.26 0.00 -2.02 0.00 0.00 58.31 52.14 1irg n LYS 100 Cb 0.00 -3.00 -0.09 0.00 -0.02 0.00 0.00 35.03 31.93 1irg n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1irg n LYS 101 N 5.33 1.24 0.00 1.97 5.02 -1.26 -3.98 118.16 126.48 1irg n LYS 101 Ca 0.36 -3.77 0.00 0.00 -2.02 0.00 0.00 58.31 52.88 1irg n LYS 101 Cb 0.42 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 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 1.64 1.50 0.03 0.72 0.00 -1.26 -4.99 105.19 102.82 1irg n GLY 102 Ca 0.25 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.25 0.00 1.61 4.13 -1.26 -4.81 115.26 115.18 1irg n ASN 103 Ca 0.00 -0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.22 1irg n ASN 103 Cb 0.00 1.61 0.00 0.00 -1.54 0.00 0.00 39.78 39.85 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 -2.24 0.00 -2.72 6.41 3.02 -1.26 -5.04 115.26 113.43 1irg n ASN 104 Ca -0.02 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.50 1irg n ASN 104 Cb 0.54 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.69 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 -2.63 -3.37 -4.13 5.41 0.00 -1.26 -4.88 120.51 109.65 1irg n ALA 105 Ca 0.00 1.30 -0.14 0.00 0.00 0.00 0.00 53.44 54.60 1irg n ALA 105 Cb 0.00 -2.60 -0.02 0.00 0.00 0.00 0.00 19.45 16.83 1irg n ALA 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1irg n PHE 106 N 1.28 0.02 -3.64 0.00 3.01 -1.26 -4.77 117.46 112.10 1irg n PHE 106 Ca -0.19 -1.09 -0.39 0.00 1.01 0.00 0.00 57.45 56.80 1irg n PHE 106 Cb 0.32 -0.16 -0.09 0.00 -0.01 0.00 0.00 39.48 39.54 1irg n PHE 106 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1irg s ARG 107 N -2.87 2.60 -0.48 -1.08 3.52 -0.14 -4.23 118.95 116.27 1irg s ARG 107 Ca 0.04 -2.27 -0.29 0.00 -0.13 0.00 0.00 55.73 53.09 1irg s ARG 107 Cb -0.00 -3.84 0.02 0.00 -1.56 0.00 0.00 34.95 29.56 1irg s ARG 107 CO 0.03 -1.18 1.28 0.08 -0.81 0.00 0.00 175.30 174.70 1irg s VAL 108 N 0.43 4.01 -0.42 7.11 1.01 -0.19 -1.84 120.40 130.51 1irg s VAL 108 Ca 0.14 0.99 -0.15 0.00 0.00 0.00 0.00 61.98 62.96 1irg s VAL 108 Cb -0.20 -4.46 0.03 0.00 0.00 0.00 0.00 36.38 31.74 1irg s VAL 108 CO -0.04 -1.00 0.32 -0.31 0.00 0.00 0.00 175.10 174.07 1irg s TYR 109 N 5.10 3.24 -0.26 5.22 2.02 0.50 0.98 117.35 134.16 1irg s TYR 109 Ca 0.52 -0.68 -0.20 0.00 -0.37 0.00 0.00 57.07 56.35 1irg s TYR 109 Cb -0.10 -2.71 -0.02 0.00 -0.40 0.00 0.00 41.96 38.74 1irg s TYR 109 CO 0.30 -0.64 0.59 1.03 -1.57 0.00 0.00 175.55 175.27 1irg s ARG 110 N 1.67 4.07 -0.51 -0.62 0.52 0.25 -1.30 118.95 123.03 1irg s ARG 110 Ca 0.05 0.45 -0.19 0.00 -0.52 0.00 0.00 55.73 55.51 1irg s ARG 110 Cb -0.20 -3.66 0.06 0.00 0.52 0.00 0.00 34.95 31.67 1irg s ARG 110 CO 0.09 -0.41 0.63 -1.64 0.02 0.00 0.00 175.30 173.99 1irg s MET 111 N 2.45 3.12 0.82 3.54 -1.94 0.25 -0.93 119.30 126.62 1irg s MET 111 Ca 0.24 -0.92 -0.15 0.00 -1.71 0.00 0.00 55.69 53.15 1irg s MET 111 Cb -0.15 -4.11 -0.03 0.00 2.01 0.00 0.00 34.83 32.55 1irg s MET 111 CO 0.09 -1.24 0.33 1.28 -0.01 0.00 0.00 175.02 175.48 1irg n LEU 112 N 6.17 -0.37 0.00 -0.03 4.77 0.13 -4.43 117.00 123.24 1irg n LEU 112 Ca -0.07 0.46 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 1irg n LEU 112 Cb 0.45 -1.15 0.81 0.00 -2.33 0.00 0.00 43.42 41.19 1irg n LEU 112 CO 0.54 -3.64 0.98 -0.81 -1.33 0.00 0.00 177.39 173.13