#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 -0.01 0.52 0.11 -1.26 -5.08 120.40 114.79 1irg s VAL 3 Ca 0.00 -0.87 -0.17 0.00 -2.93 0.00 0.00 61.98 58.02 1irg s VAL 3 Cb 0.00 -1.09 -0.09 0.00 -1.53 0.00 0.00 36.38 33.67 1irg s VAL 3 CO 0.00 -0.48 0.81 -0.33 -3.33 0.00 0.00 175.10 171.77 1irg h GLU 4 N 3.01 -0.58 -1.68 1.54 5.08 -2.08 -3.42 114.58 116.46 1irg h GLU 4 Ca -0.33 0.04 -0.51 0.00 -1.00 0.00 0.00 59.36 57.57 1irg h GLU 4 Cb 1.20 0.13 -0.35 0.00 0.50 0.00 0.00 28.75 30.24 1irg h GLU 4 CO 0.50 -0.38 -1.01 0.54 -1.00 0.00 0.00 179.01 177.65 1irg n ARG 5 N -4.57 0.72 -3.18 2.33 1.74 -1.26 -5.00 116.66 107.43 1irg n ARG 5 Ca -0.07 -2.98 -0.13 0.00 -0.77 0.00 0.00 57.85 53.89 1irg n ARG 5 Cb 0.24 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 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 1.45 -0.83 -0.42 5.56 2.81 -1.26 -4.84 117.12 119.59 1irg n MET 6 Ca 0.19 0.40 -0.29 0.00 -1.81 0.00 0.00 57.70 56.19 1irg n MET 6 Cb 0.55 -1.17 0.26 0.00 -0.71 0.00 0.00 33.22 32.14 1irg n MET 6 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1irg n ARG 7 N -1.62 -3.15 0.17 0.03 3.00 -1.26 -4.57 116.66 109.26 1irg n ARG 7 Ca -0.17 -0.91 0.02 0.00 -0.00 0.00 0.00 57.85 56.79 1irg n ARG 7 Cb 0.37 -1.98 0.35 0.00 0.00 0.00 0.00 32.46 31.21 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 -2.93 0.04 0.89 -0.14 4.05 -1.98 -0.28 114.93 114.59 1irg h MET 8 Ca -0.53 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 58.83 1irg h MET 8 Cb 1.31 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.11 1irg h MET 8 CO 0.39 0.39 -0.43 0.00 0.23 0.00 0.00 176.91 177.49 1irg h ARG 9 N 0.04 -1.15 0.00 0.39 3.08 -2.00 -0.78 114.38 113.96 1irg h ARG 9 Ca 0.00 0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1irg h ARG 9 Cb 0.63 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 1irg h ARG 9 CO 0.05 -0.77 -0.30 -1.00 -1.07 0.00 0.00 179.97 176.88 1irg h PRO 10 N -1.20 0.00 -0.27 0.04 0.13 -1.89 -1.47 132.00 127.35 1irg h PRO 10 Ca -0.12 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.89 1irg h PRO 10 Cb 0.92 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.04 1irg h PRO 10 CO 0.20 0.30 -0.33 2.35 -0.23 0.00 0.00 178.00 180.28 1irg h TRP 11 N 0.00 0.66 0.11 1.56 7.01 -0.81 -0.08 115.95 124.41 1irg h TRP 11 Ca -0.00 -0.17 -0.28 0.00 2.11 0.00 0.00 58.89 60.54 1irg h TRP 11 Cb 0.72 -0.15 0.02 0.00 -2.10 0.00 0.00 29.16 27.64 1irg h TRP 11 CO 0.00 0.83 -1.20 1.25 -2.79 0.00 0.00 178.44 176.53 1irg h LEU 12 N 0.49 0.68 -1.51 0.65 5.85 -0.77 -1.61 115.31 119.09 1irg h LEU 12 Ca 0.06 -0.65 -0.05 0.00 0.84 0.00 0.00 57.88 58.08 1irg h LEU 12 Cb 0.81 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1irg h LEU 12 CO 0.07 1.47 -0.24 -0.08 -0.34 0.00 0.00 178.44 179.31 1irg h GLU 13 N 0.20 0.00 0.06 1.25 4.81 -1.09 -1.44 114.58 118.36 1irg h GLU 13 Ca -0.16 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1irg h GLU 13 Cb 1.88 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.27 1irg h GLU 13 CO 0.22 0.24 -0.43 0.93 -0.73 0.00 0.00 179.01 179.24 1irg h GLU 14 N 0.00 0.19 -0.04 1.92 5.08 -0.94 -0.95 114.58 119.84 1irg h GLU 14 Ca -0.00 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.10 1irg h GLU 14 Cb 0.43 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1irg h GLU 14 CO 0.03 1.09 -0.09 1.96 -1.00 0.00 0.00 179.01 181.00 1irg h GLN 15 N -0.57 -0.13 0.09 2.33 1.08 -1.10 -1.02 115.11 115.78 1irg h GLN 15 Ca -0.07 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1irg h GLN 15 Cb 1.29 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 1irg h GLN 15 CO 0.08 -0.09 -0.04 0.82 -0.95 0.00 0.00 178.83 178.65 1irg h ILE 16 N -0.14 1.09 -1.01 2.54 2.04 -1.38 0.21 117.51 120.87 1irg h ILE 16 Ca 0.05 -0.67 0.23 0.00 1.00 0.00 0.00 64.86 65.48 1irg h ILE 16 Cb 0.21 1.52 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 1irg h ILE 16 CO -0.12 0.16 0.62 0.78 0.00 0.00 0.00 178.15 179.59 1irg h ASN 17 N -0.42 0.64 1.25 1.72 4.21 -1.00 0.31 115.58 122.28 1irg h ASN 17 Ca -0.01 0.11 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 1irg h ASN 17 Cb 0.36 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.55 1irg h ASN 17 CO 0.02 0.15 -0.78 -1.28 -1.29 0.00 0.00 177.43 174.25 1irg h SER 18 N 0.58 0.00 -3.55 5.81 0.87 -1.02 -3.49 113.55 112.75 1irg h SER 18 Ca 0.61 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1irg h SER 18 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1irg h SER 18 CO -0.39 0.20 -0.06 0.59 -0.53 0.00 0.00 176.83 176.63 1irg n ASN 19 N -2.90 -3.39 0.10 6.23 3.02 0.11 -4.96 115.26 113.47 1irg n ASN 19 Ca -0.01 0.05 -0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1irg n ASN 19 Cb 0.63 -2.03 -0.04 0.00 -0.61 0.00 0.00 39.78 37.73 1irg n ASN 19 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1irg h THR 20 N 0.29 1.29 -3.67 3.41 1.03 -1.73 -3.45 112.91 110.08 1irg h THR 20 Ca 0.00 -2.81 -0.22 0.00 -0.01 0.00 0.00 66.41 63.37 1irg h THR 20 Cb 0.63 2.63 -0.28 0.00 -1.07 0.00 0.00 68.15 70.06 1irg h THR 20 CO 0.06 0.73 -0.69 -0.63 -0.01 0.00 0.00 175.52 174.98 1irg s ILE 21 N -2.85 -0.00 -2.00 0.00 -1.09 -1.26 -5.01 121.20 108.98 1irg s ILE 21 Ca 0.02 0.00 0.17 0.00 -2.23 0.00 0.00 60.65 58.62 1irg s ILE 21 Cb 0.09 -0.05 0.49 0.00 -1.58 0.00 0.00 42.46 41.41 1irg s ILE 21 CO 0.78 0.00 1.49 -0.81 -1.23 0.00 0.00 174.94 175.17 1irg n PRO 22 N 3.08 0.73 -0.00 2.79 -0.04 -1.26 -2.40 135.00 137.90 1irg n PRO 22 Ca -0.12 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1irg n PRO 22 Cb 0.60 -1.37 -0.09 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.40 -0.48 3.32 0.55 0.00 -1.26 -4.92 105.19 102.81 1irg n GLY 23 Ca 0.13 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.36 2.50 0.00 0.99 2.96 -1.01 -2.55 118.68 118.20 1irg s LEU 24 Ca -0.00 -0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 53.25 1irg s LEU 24 Cb 0.10 -1.54 0.08 0.00 0.50 0.00 0.00 46.19 45.33 1irg s LEU 24 CO 0.58 0.17 1.16 2.29 -1.32 0.00 0.00 176.35 179.23 1irg n LYS 25 N 3.45 0.16 -2.94 1.98 -0.00 -0.66 -4.56 118.16 115.59 1irg n LYS 25 Ca -0.18 -0.69 -0.42 0.00 -0.00 0.00 0.00 58.31 57.02 1irg n LYS 25 Cb 0.53 1.15 -0.05 0.00 -0.00 0.00 0.00 35.03 36.66 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 -2.12 3.22 -0.21 5.58 0.52 -1.26 -0.92 118.94 123.75 1irg s TRP 26 Ca 0.27 0.86 0.18 0.00 0.02 0.00 0.00 56.10 57.43 1irg s TRP 26 Cb -0.01 -3.20 0.21 0.00 -1.15 0.00 0.00 33.47 29.33 1irg s TRP 26 CO -0.01 -0.54 1.52 1.37 0.02 0.00 0.00 176.95 179.31 1irg h LEU 27 N 9.42 0.00 -5.05 2.99 -0.00 -1.13 -3.39 115.31 118.15 1irg h LEU 27 Ca -0.24 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 57.40 1irg h LEU 27 Cb 1.10 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.60 1irg h LEU 27 CO 0.88 0.35 -0.52 0.59 -0.00 0.00 0.00 178.44 179.73 1irg n ASN 28 N -3.20 -2.76 0.16 0.17 5.03 -0.99 -4.98 115.26 108.69 1irg n ASN 28 Ca 0.02 -3.27 0.10 0.00 0.87 0.00 0.00 54.58 52.30 1irg n ASN 28 Cb 0.66 1.71 0.52 0.00 -1.02 0.00 0.00 39.78 41.65 1irg n ASN 28 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1irg n LYS 29 N 1.66 0.12 -0.24 3.52 0.00 -1.26 -1.24 118.16 120.74 1irg n LYS 29 Ca 0.10 0.62 -0.05 0.00 -0.00 0.00 0.00 58.31 58.98 1irg n LYS 29 Cb 0.62 -2.00 0.06 0.00 -0.00 0.00 0.00 35.03 33.71 1irg n LYS 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 1irg h GLU 30 N 0.00 0.84 -0.56 -1.58 4.11 -1.93 -1.26 114.58 114.19 1irg h GLU 30 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1irg h GLU 30 Cb 0.18 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1irg h GLU 30 CO 0.00 0.56 0.00 1.63 0.07 0.00 0.00 179.01 181.27 1irg n LYS 31 N -4.65 3.68 -3.11 1.06 5.02 -0.37 -4.94 118.16 114.85 1irg n LYS 31 Ca 0.06 -2.84 -0.14 0.00 -2.02 0.00 0.00 58.31 53.38 1irg n LYS 31 Cb 0.05 -1.87 0.07 0.00 -0.02 0.00 0.00 35.03 33.26 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 0.81 -5.12 -3.89 1.97 5.02 -0.48 -4.34 118.16 112.13 1irg n LYS 32 Ca 0.24 0.63 -0.35 0.00 -2.02 0.00 0.00 58.31 56.81 1irg n LYS 32 Cb 0.88 -5.01 -0.13 0.00 -0.02 0.00 0.00 35.03 30.75 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 -3.26 3.79 0.01 -0.18 1.09 -0.62 -0.66 121.20 121.36 1irg s ILE 33 Ca 0.08 -0.35 0.04 0.00 -1.10 0.00 0.00 60.65 59.32 1irg s ILE 33 Cb -0.04 -2.74 -0.01 0.00 -1.06 0.00 0.00 42.46 38.61 1irg s ILE 33 CO 0.54 0.40 -0.13 0.72 -0.10 0.00 0.00 174.94 176.37 1irg s PHE 34 N 1.43 1.17 0.06 3.97 -0.71 0.01 -0.50 117.98 123.42 1irg s PHE 34 Ca 0.05 -0.26 0.08 0.00 -1.04 0.00 0.00 56.93 55.76 1irg s PHE 34 Cb -0.15 -0.74 -0.03 0.00 -1.21 0.00 0.00 43.02 40.89 1irg s PHE 34 CO 0.00 -0.00 -0.20 1.14 -1.34 0.00 0.00 175.22 174.81 1irg s GLN 35 N -0.56 1.92 0.18 1.99 1.03 -0.10 0.23 119.66 124.36 1irg s GLN 35 Ca 0.04 -1.07 0.10 0.00 0.04 0.00 0.00 55.36 54.47 1irg s GLN 35 Cb -0.06 -2.11 -0.04 0.00 0.03 0.00 0.00 33.01 30.82 1irg s GLN 35 CO 0.00 0.52 -0.18 0.42 -2.54 0.00 0.00 175.29 173.51 1irg s ILE 36 N -0.95 2.73 0.00 3.63 1.01 -0.78 -1.66 121.20 125.19 1irg s ILE 36 Ca 0.15 -1.83 -0.13 0.00 0.00 0.00 0.00 60.65 58.84 1irg s ILE 36 Cb -0.10 -2.32 -0.33 0.00 0.01 0.00 0.00 42.46 39.71 1irg s ILE 36 CO 0.05 -0.09 0.88 1.55 0.00 0.00 0.00 174.94 177.34 1irg h PRO 37 N 3.15 0.47 0.00 2.79 0.13 -1.81 0.38 132.00 137.10 1irg h PRO 37 Ca -0.47 -0.80 0.00 0.00 -0.87 0.00 0.00 66.00 63.86 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 0.50 1.38 0.00 0.91 -0.23 0.00 0.00 178.00 180.56 1irg n TRP 38 N -3.65 0.00 -4.13 1.56 7.02 -1.26 -4.50 117.44 112.48 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 1.09 0.04 -0.10 0.00 -2.42 0.00 0.00 31.31 29.92 1irg n TRP 38 CO 0.00 0.00 0.00 1.41 -2.02 0.00 0.00 177.69 177.08 1irg s MET 39 N 0.00 3.73 -0.01 -0.99 -2.45 -1.26 -4.72 119.30 113.60 1irg s MET 39 Ca 0.00 -0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.08 1irg s MET 39 Cb 0.00 -3.09 0.02 0.00 1.25 0.00 0.00 34.83 33.01 1irg s MET 39 CO 0.00 0.37 0.75 1.58 1.05 0.00 0.00 175.02 178.77 1irg n HIS 40 N 3.20 0.00 0.00 4.11 -0.00 -1.26 -4.97 115.22 116.30 1irg n HIS 40 Ca -0.17 -0.20 0.00 0.00 0.46 0.00 0.00 57.72 57.81 1irg n HIS 40 Cb 0.53 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 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 -0.23 1.86 -1.72 1.57 0.00 -1.26 -5.08 120.51 115.64 1irg n ALA 41 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.02 1irg n ALA 41 Cb 0.47 0.00 -0.02 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 -1.16 2.03 -0.22 0.00 0.00 -1.26 -4.79 120.51 115.12 1irg n ALA 42 Ca 0.00 0.39 0.31 0.00 0.00 0.00 0.00 53.44 54.14 1irg n ALA 42 Cb 0.00 -2.39 0.69 0.00 0.00 0.00 0.00 19.45 17.74 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 4.57 0.00 0.00 0.00 9.65 -1.98 -3.40 114.38 123.23 1irg h ARG 43 Ca -0.46 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1irg h ARG 43 Cb 1.24 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1irg h ARG 43 CO 0.78 0.00 0.00 0.72 2.80 0.00 0.00 179.97 184.27 1irg n HIS 44 N -3.82 -2.39 0.00 2.20 8.25 -1.26 -5.09 115.22 113.10 1irg n HIS 44 Ca 0.22 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 1irg n HIS 44 Cb 1.20 1.07 0.00 0.00 1.12 0.00 0.00 29.99 33.38 1irg n HIS 44 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1irg n GLY 45 N -0.80 2.42 1.86 -1.41 0.00 -1.26 -4.88 105.19 101.12 1irg n GLY 45 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 1irg n GLY 45 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1irg n TRP 46 N 0.00 -1.56 0.00 1.61 2.14 -1.26 -4.34 117.44 114.03 1irg n TRP 46 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1irg n TRP 46 Cb 0.00 -1.04 0.00 0.00 -0.81 0.00 0.00 31.31 29.46 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 -0.44 0.00 -2.88 -0.67 9.92 -1.26 -4.98 116.55 116.23 1irg n ASP 47 Ca -0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 1irg n ASP 47 Cb 0.29 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1irg n VAL 48 N 0.00 0.61 0.05 2.53 0.31 -1.26 -4.37 118.33 116.20 1irg n VAL 48 Ca 0.00 -3.82 0.21 0.00 -0.01 0.00 0.00 64.34 60.73 1irg n VAL 48 Cb 0.00 0.17 0.67 0.00 -0.91 0.00 0.00 33.84 33.77 1irg n VAL 48 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1irg h GLU 49 N 2.99 0.00 0.08 5.55 4.81 -1.97 1.33 114.58 127.37 1irg h GLU 49 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1irg h GLU 49 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1irg h GLU 49 CO 0.52 0.00 -0.04 0.87 -0.73 0.00 0.00 179.01 179.63 1irg h LYS 50 N 0.00 -0.10 -0.28 1.92 6.56 -1.90 -3.18 116.57 119.58 1irg h LYS 50 Ca 0.24 0.01 -0.18 0.00 -1.06 0.00 0.00 60.65 59.66 1irg h LYS 50 Cb 1.48 0.02 -0.12 0.00 -0.57 0.00 0.00 32.23 33.04 1irg h LYS 50 CO -0.00 0.07 -0.34 -0.25 -2.06 0.00 0.00 179.45 176.86 1irg n ASP 51 N -5.07 2.66 0.09 0.86 8.00 0.56 -4.72 116.55 118.93 1irg n ASP 51 Ca -0.08 -3.84 -0.22 0.00 0.71 0.00 0.00 54.79 51.36 1irg n ASP 51 Cb 0.13 -0.56 -0.14 0.00 -0.02 0.00 0.00 41.12 40.53 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1irg h ALA 52 N 1.21 -0.08 0.00 2.24 0.00 0.16 -2.00 119.26 120.78 1irg h ALA 52 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1irg h ALA 52 Cb 1.34 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1irg h ALA 52 CO 0.32 0.54 0.00 -0.35 0.00 0.00 0.00 179.25 179.76 1irg n PRO 53 N -3.93 0.04 -0.05 0.00 -0.04 -1.26 -3.12 135.00 126.64 1irg n PRO 53 Ca -0.14 0.18 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1irg n PRO 53 Cb 0.93 -1.56 -0.01 0.00 -0.04 0.00 0.00 33.50 32.82 1irg n PRO 53 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1irg n LEU 54 N -1.64 1.18 -0.54 1.53 4.32 -1.23 -3.69 117.00 116.94 1irg n LEU 54 Ca 0.05 0.41 0.40 0.00 -0.02 0.00 0.00 56.01 56.85 1irg n LEU 54 Cb 0.26 -0.71 0.62 0.00 -1.62 0.00 0.00 43.42 41.97 1irg n LEU 54 CO 0.20 -0.45 1.12 0.49 -1.22 0.00 0.00 177.39 177.54 1irg n PHE 55 N -3.76 0.02 -0.07 -1.77 3.72 -0.75 0.17 117.46 115.02 1irg n PHE 55 Ca -0.06 0.02 -0.15 0.00 -0.05 0.00 0.00 57.45 57.21 1irg n PHE 55 Cb 0.22 -0.40 -0.13 0.00 -0.94 0.00 0.00 39.48 38.23 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 0.01 -0.63 -1.08 9.65 -1.71 -3.18 114.38 117.45 1irg h ARG 56 Ca 0.71 -0.02 0.18 0.00 -1.10 0.00 0.00 59.98 59.76 1irg h ARG 56 Cb 2.85 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 31.41 1irg h ARG 56 CO -0.02 1.01 0.77 -2.95 2.80 0.00 0.00 179.97 181.58 1irg h ASN 57 N -0.98 0.00 -1.88 -3.80 7.08 0.17 -3.40 115.58 112.76 1irg h ASN 57 Ca -0.04 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.01 1irg h ASN 57 Cb 1.05 0.00 0.10 0.00 -2.08 0.00 0.00 38.32 37.39 1irg h ASN 57 CO -0.01 0.00 -0.08 0.79 -2.08 0.00 0.00 177.43 176.04 1irg n TRP 58 N -3.42 -2.45 0.00 4.14 5.03 -0.88 0.41 117.44 120.26 1irg n TRP 58 Ca 0.13 -0.05 0.00 0.00 3.03 0.00 0.00 57.50 60.61 1irg n TRP 58 Cb 0.99 -1.26 0.00 0.00 -1.03 0.00 0.00 31.31 30.01 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 -4.27 0.00 0.18 6.99 0.00 -1.26 -2.58 120.51 119.56 1irg n ALA 59 Ca -0.09 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.51 1irg n ALA 59 Cb 0.28 0.00 0.60 0.00 0.00 0.00 0.00 19.45 20.33 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 0.11 0.00 0.00 2.04 -1.60 -0.03 117.51 118.04 1irg h ILE 60 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1irg h ILE 60 Cb 0.00 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1irg h ILE 60 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 178.15 179.72 1irg n HIS 61 N -3.13 0.00 -0.34 1.37 -0.00 0.17 -4.53 115.22 108.76 1irg n HIS 61 Ca 0.05 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.34 1irg n HIS 61 Cb 0.74 0.00 0.23 0.00 -0.12 0.00 0.00 29.99 30.84 1irg n HIS 61 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1irg n THR 62 N -0.41 -0.40 0.00 3.57 -2.24 -1.22 -4.79 114.28 108.79 1irg n THR 62 Ca 0.00 2.13 0.00 0.00 -2.27 0.00 0.00 64.05 63.91 1irg n THR 62 Cb 0.00 -3.06 0.00 0.00 -2.10 0.00 0.00 70.33 65.17 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 -1.52 0.72 0.00 3.38 0.00 -0.04 -5.02 105.19 102.71 1irg n GLY 63 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1irg n GLY 63 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1irg n LYS 64 N 0.00 0.22 -3.64 1.61 5.02 -1.10 -5.04 118.16 115.23 1irg n LYS 64 Ca 0.00 -0.56 -0.03 0.00 -2.02 0.00 0.00 58.31 55.70 1irg n LYS 64 Cb 0.00 -0.78 -0.01 0.00 -0.02 0.00 0.00 35.03 34.21 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 -0.20 -0.15 -0.20 2.13 5.04 -1.25 -4.97 115.29 115.69 1irg s HIS 65 Ca 0.00 -0.02 -0.10 0.00 -1.54 0.00 0.00 55.06 53.40 1irg s HIS 65 Cb 0.00 0.57 0.07 0.00 0.04 0.00 0.00 32.58 33.26 1irg s HIS 65 CO 0.00 -0.51 0.47 -0.65 -2.34 0.00 0.00 174.74 171.71 1irg s GLN 66 N -2.87 0.44 0.29 2.88 -0.21 -1.26 -3.36 119.66 115.57 1irg s GLN 66 Ca 0.11 0.95 -0.29 0.00 0.02 0.00 0.00 55.36 56.15 1irg s GLN 66 Cb 0.00 0.13 -0.09 0.00 1.00 0.00 0.00 33.01 34.05 1irg s GLN 66 CO -0.03 -0.18 1.06 -1.25 -2.12 0.00 0.00 175.29 172.77 1irg s PRO 67 N 1.78 4.61 0.00 2.91 0.04 -1.26 -2.83 135.00 140.25 1irg s PRO 67 Ca -0.08 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.66 1irg s PRO 67 Cb -0.09 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.35 1irg s PRO 67 CO -0.14 0.21 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1irg n GLY 68 N 1.10 0.77 1.27 0.56 0.00 -1.26 -4.83 105.19 102.81 1irg n GLY 68 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.31 0.00 -4.26 -0.61 5.41 -1.21 -5.14 119.36 111.24 1irg n ILE 69 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 1irg n ILE 69 Cb 0.00 -0.33 -0.04 0.00 -0.71 0.00 0.00 39.64 38.56 1irg n ILE 69 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1irg n ASP 70 N -2.15 0.94 -4.83 4.38 -0.08 -1.13 -5.09 116.55 108.59 1irg n ASP 70 Ca 0.00 -2.19 -0.36 0.00 -1.51 0.00 0.00 54.79 50.74 1irg n ASP 70 Cb 0.01 0.60 -0.06 0.00 2.34 0.00 0.00 41.12 44.01 1irg n ASP 70 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1irg s LYS 71 N -2.84 4.12 0.40 -0.67 -2.85 -1.26 -4.75 119.74 111.89 1irg s LYS 71 Ca 0.12 0.68 -0.23 0.00 -1.00 0.00 0.00 55.97 55.54 1irg s LYS 71 Cb 0.01 -2.94 -0.10 0.00 -2.06 0.00 0.00 37.83 32.73 1irg s LYS 71 CO 0.09 0.46 0.97 -1.25 0.10 0.00 0.00 175.35 175.72 1irg s PRO 72 N -1.87 4.29 -0.29 1.78 0.04 -1.26 -4.92 135.00 132.76 1irg s PRO 72 Ca 0.39 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 1irg s PRO 72 Cb -0.16 -2.40 0.13 0.00 0.04 0.00 0.00 34.50 32.11 1irg s PRO 72 CO 0.20 0.01 0.26 -0.51 0.04 0.00 0.00 177.00 177.00 1irg s ASP 73 N -1.92 2.05 0.32 6.66 1.01 -1.26 -4.99 116.67 118.53 1irg s ASP 73 Ca 0.58 -0.87 0.26 0.00 0.71 0.00 0.00 52.55 53.23 1irg s ASP 73 Cb -0.14 0.34 0.75 0.00 1.01 0.00 0.00 42.92 44.88 1irg s ASP 73 CO 0.19 -0.40 1.74 1.55 0.21 0.00 0.00 175.17 178.46 1irg h PRO 74 N 8.29 0.00 0.38 8.23 0.13 -1.97 -3.29 132.00 143.77 1irg h PRO 74 Ca -0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1irg h PRO 74 Cb 1.06 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1irg h PRO 74 CO 0.36 0.00 -0.35 -0.22 -0.23 0.00 0.00 178.00 177.55 1irg h LYS 75 N 0.00 -0.72 -0.15 0.86 3.11 -2.01 -2.40 116.57 115.26 1irg h LYS 75 Ca 0.00 0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.77 1irg h LYS 75 Cb 0.74 0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 32.12 1irg h LYS 75 CO 0.00 -0.48 -0.43 1.15 -2.81 0.00 0.00 179.45 176.88 1irg h THR 76 N -0.75 1.31 -0.76 1.00 2.02 -2.01 -3.07 112.91 110.65 1irg h THR 76 Ca -0.03 -1.59 0.14 0.00 0.77 0.00 0.00 66.41 65.70 1irg h THR 76 Cb 0.66 1.67 -0.09 0.00 -1.74 0.00 0.00 68.15 68.65 1irg h THR 76 CO -0.05 0.49 0.31 -0.50 0.37 0.00 0.00 175.52 176.14 1irg h TRP 77 N 0.30 0.53 -0.05 3.16 6.55 -1.54 0.17 115.95 125.08 1irg h TRP 77 Ca 0.02 0.04 -0.06 0.00 0.95 0.00 0.00 58.89 59.84 1irg h TRP 77 Cb 0.88 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 29.05 1irg h TRP 77 CO 0.02 0.07 -0.26 -0.22 -1.05 0.00 0.00 178.44 177.01 1irg h LYS 78 N 0.46 0.08 0.00 0.49 1.63 -1.34 -2.15 116.57 115.73 1irg h LYS 78 Ca 0.42 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.14 1irg h LYS 78 Cb 0.63 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1irg h LYS 78 CO -0.40 0.33 -0.26 0.00 -3.45 0.00 0.00 179.45 175.67 1irg h ALA 79 N 1.67 1.12 0.14 5.00 0.00 -0.71 -3.16 119.26 123.31 1irg h ALA 79 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1irg h ALA 79 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1irg h ALA 79 CO 0.04 0.33 -0.07 -0.91 0.00 0.00 0.00 179.25 178.64 1irg h ASN 80 N 0.00 -0.16 -0.80 0.00 -0.26 -0.85 -3.05 115.58 110.46 1irg h ASN 80 Ca -0.00 -0.29 0.19 0.00 -0.56 0.00 0.00 56.30 55.64 1irg h ASN 80 Cb 0.68 0.04 -0.13 0.00 -1.06 0.00 0.00 38.32 37.85 1irg h ASN 80 CO 0.03 0.23 0.12 0.15 -1.06 0.00 0.00 177.43 176.90 1irg h PHE 81 N -0.57 0.15 -0.72 1.19 3.04 -1.57 0.32 116.94 118.79 1irg h PHE 81 Ca -0.02 0.05 0.08 0.00 3.98 0.00 0.00 57.97 62.06 1irg h PHE 81 Cb 0.44 0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.94 1irg h PHE 81 CO 0.04 -0.20 0.39 0.00 -2.02 0.00 0.00 178.31 176.52 1irg h ARG 82 N 0.17 0.66 -0.33 1.11 2.47 -1.59 -0.01 114.38 116.86 1irg h ARG 82 Ca 0.46 -0.04 -0.05 0.00 -1.26 0.00 0.00 59.98 59.09 1irg h ARG 82 Cb 0.86 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 29.01 1irg h ARG 82 CO -0.63 0.44 -0.01 0.00 0.56 0.00 0.00 179.97 180.33 1irg h ALA 84 N 1.50 1.91 0.06 0.00 0.00 0.23 0.61 119.26 123.56 1irg h ALA 84 Ca 0.11 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.68 1irg h ALA 84 Cb 0.33 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1irg h ALA 84 CO 0.01 -0.69 -1.84 -1.33 0.00 0.00 0.00 179.25 175.39 1irg n MET 85 N -3.23 0.69 0.00 0.00 2.00 -0.55 -3.65 117.12 112.38 1irg n MET 85 Ca 0.05 0.28 0.12 0.00 0.00 0.00 0.00 57.70 58.15 1irg n MET 85 Cb 0.67 -1.75 0.71 0.00 0.00 0.00 0.00 33.22 32.85 1irg n MET 85 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1irg n ASN 86 N -3.24 0.00 -0.02 7.83 6.94 0.19 -4.76 115.26 122.20 1irg n ASN 86 Ca -0.24 -0.93 0.00 0.00 -0.02 0.00 0.00 54.58 53.39 1irg n ASN 86 Cb 1.05 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.47 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 -0.95 0.00 -1.51 0.53 2.88 -0.14 -4.91 113.62 109.52 1irg n SER 87 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1irg n SER 87 Cb 0.08 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 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 -1.59 -0.95 2.46 4.32 -1.26 -4.61 117.00 115.37 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 -1.31 0.28 -0.81 -1.22 0.00 0.00 177.39 174.34 1irg n PRO 89 N 1.84 0.60 0.00 3.23 -0.04 -1.26 -2.55 135.00 136.82 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 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.25 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 0.65 0.30 -4.82 3.54 8.00 -1.26 -4.97 116.55 118.00 1irg n ASP 90 Ca 0.00 -1.04 -0.35 0.00 0.71 0.00 0.00 54.79 54.11 1irg n ASP 90 Cb 0.28 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 1irg n ASP 90 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1irg s ILE 91 N -0.04 4.55 -0.36 0.53 -4.36 -1.06 -0.93 121.20 119.53 1irg s ILE 91 Ca 0.00 1.28 -0.00 0.00 -0.26 0.00 0.00 60.65 61.67 1irg s ILE 91 Cb 0.00 -3.82 0.12 0.00 1.25 0.00 0.00 42.46 40.01 1irg s ILE 91 CO 0.00 0.11 0.17 -0.70 0.24 0.00 0.00 174.94 174.76 1irg s GLU 92 N -2.22 0.81 0.19 0.37 2.56 0.22 -4.79 118.70 115.84 1irg s GLU 92 Ca 0.47 -1.37 -0.33 0.00 0.00 0.00 0.00 54.97 53.73 1irg s GLU 92 Cb -0.15 -1.87 -0.13 0.00 2.00 0.00 0.00 34.13 33.98 1irg s GLU 92 CO 0.20 -1.09 1.61 -0.85 -0.56 0.00 0.00 175.26 174.57 1irg n GLU 93 N 4.30 2.38 -3.44 4.30 0.28 -1.26 -1.11 120.64 126.09 1irg n GLU 93 Ca 0.04 0.86 -0.28 0.00 -0.16 0.00 0.00 57.16 57.62 1irg n GLU 93 Cb 0.38 -2.65 -0.11 0.00 1.43 0.00 0.00 31.44 30.49 1irg n GLU 93 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1irg s VAL 94 N 0.87 0.14 -0.43 3.84 1.01 0.23 -4.90 120.40 121.15 1irg s VAL 94 Ca 0.76 -1.83 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1irg s VAL 94 Cb -0.61 -1.11 0.18 0.00 0.00 0.00 0.00 36.38 34.84 1irg s VAL 94 CO 0.37 -1.01 1.03 2.29 0.00 0.00 0.00 175.10 177.78 1irg n LYS 95 N 3.85 1.61 -1.57 2.72 2.85 -1.26 -0.52 118.16 125.84 1irg n LYS 95 Ca 0.15 -0.75 0.03 0.00 -1.05 0.00 0.00 58.31 56.69 1irg n LYS 95 Cb 0.39 -1.47 -0.02 0.00 -0.65 0.00 0.00 35.03 33.28 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 0.12 -8.46 0.00 -5.58 8.00 -1.26 -4.70 116.55 104.67 1irg n ASP 96 Ca 0.11 1.83 0.00 0.00 0.71 0.00 0.00 54.79 57.44 1irg n ASP 96 Cb 0.65 -5.13 0.00 0.00 -0.02 0.00 0.00 41.12 36.61 1irg n ASP 96 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1irg n ARG 97 N -2.92 0.00 -2.76 -1.24 3.00 -1.26 -4.97 116.66 106.51 1irg n ARG 97 Ca -0.02 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.78 1irg n ARG 97 Cb 0.53 -0.02 0.04 0.00 0.00 0.00 0.00 32.46 33.01 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 -1.44 1.59 0.14 0.55 7.64 -1.26 -4.92 113.62 115.92 1irg n SER 98 Ca 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 58.87 57.55 1irg n SER 98 Cb 0.00 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.70 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 -0.39 0.00 -2.39 0.44 -0.00 -1.26 -4.93 119.36 110.84 1irg n ILE 99 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 62.75 62.41 1irg n ILE 99 Cb 0.81 -0.43 0.00 0.00 -0.00 0.00 0.00 39.64 40.03 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 -3.38 3.79 -3.52 0.38 4.81 -1.26 -4.80 118.16 114.18 1irg n LYS 100 Ca 0.00 -3.64 -0.27 0.00 -0.87 0.00 0.00 58.31 53.53 1irg n LYS 100 Cb 0.00 -2.86 -0.09 0.00 0.02 0.00 0.00 35.03 32.10 1irg n LYS 100 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1irg n LYS 101 N 3.40 1.64 0.01 1.64 4.01 -1.26 -4.66 118.16 122.94 1irg n LYS 101 Ca 0.40 -4.13 -0.01 0.00 -0.51 0.00 0.00 58.31 54.06 1irg n LYS 101 Cb 0.35 -1.99 -0.00 0.00 -0.51 0.00 0.00 35.03 32.88 1irg n LYS 101 CO 0.00 0.00 0.00 0.78 -1.11 0.00 0.00 177.40 177.07 1irg h GLY 102 N 4.73 -0.06 -1.66 0.72 0.00 -2.02 -3.46 103.07 101.32 1irg h GLY 102 Ca 0.17 0.02 -0.09 0.00 0.00 0.00 0.00 47.33 47.44 1irg h GLY 102 CO 0.66 -0.02 -0.19 1.16 0.00 0.00 0.00 176.54 178.15 1irg n ASN 103 N -2.73 -0.66 0.18 0.19 6.94 -1.26 -5.01 115.26 112.90 1irg n ASN 103 Ca -0.01 -1.34 0.00 0.00 -0.02 0.00 0.00 54.58 53.21 1irg n ASN 103 Cb 0.02 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1irg n ASN 103 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1irg n ASN 104 N 0.00 -1.80 -2.82 0.53 2.85 -1.26 -5.11 115.26 107.65 1irg n ASN 104 Ca -0.19 0.65 -0.04 0.00 -0.11 0.00 0.00 54.58 54.90 1irg n ASN 104 Cb 0.55 1.81 0.00 0.00 1.24 0.00 0.00 39.78 43.39 1irg n ASN 104 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1irg n ALA 105 N -3.45 -3.20 -2.71 5.20 0.00 -1.26 -5.00 120.51 110.09 1irg n ALA 105 Ca 0.00 0.66 -0.20 0.00 0.00 0.00 0.00 53.44 53.90 1irg n ALA 105 Cb 0.00 -1.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.58 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 -1.88 3.31 -1.12 0.00 0.40 -1.26 -4.99 117.98 112.44 1irg s PHE 106 Ca 0.09 -0.06 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 1irg s PHE 106 Cb -0.02 -1.80 0.03 0.00 0.51 0.00 0.00 43.02 41.73 1irg s PHE 106 CO 0.73 0.19 1.68 0.50 0.70 0.00 0.00 175.22 179.02 1irg s ARG 107 N -4.11 3.44 -0.57 0.44 6.06 0.13 -4.12 118.95 120.22 1irg s ARG 107 Ca 0.40 -1.31 -0.27 0.00 -2.50 0.00 0.00 55.73 52.05 1irg s ARG 107 Cb -0.09 -5.36 -0.02 0.00 0.06 0.00 0.00 34.95 29.54 1irg s ARG 107 CO 0.31 -2.61 1.81 0.08 -2.50 0.00 0.00 175.30 172.39 1irg s VAL 108 N 6.20 3.41 -0.04 7.11 1.01 0.32 -1.86 120.40 136.54 1irg s VAL 108 Ca 0.55 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.60 1irg s VAL 108 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1irg s VAL 108 CO 0.00 -0.88 0.61 -0.31 0.00 0.00 0.00 175.10 174.52 1irg s TYR 109 N 8.51 3.62 -0.21 5.22 1.51 0.14 0.78 117.35 136.91 1irg s TYR 109 Ca 0.67 1.16 -0.06 0.00 -1.01 0.00 0.00 57.07 57.83 1irg s TYR 109 Cb -0.14 -2.66 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1irg s TYR 109 CO 0.23 0.24 0.02 0.50 -1.11 0.00 0.00 175.55 175.43 1irg s ARG 110 N 0.26 3.66 -0.20 -0.62 3.52 -0.26 -0.81 118.95 124.50 1irg s ARG 110 Ca 0.32 -0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 55.36 1irg s ARG 110 Cb -0.17 -3.16 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1irg s ARG 110 CO 0.16 -0.02 0.07 -1.64 -0.81 0.00 0.00 175.30 173.06 1irg s MET 111 N 1.10 3.89 0.20 5.12 -1.94 0.16 0.73 119.30 128.56 1irg s MET 111 Ca 0.03 -0.38 -0.28 0.00 -1.71 0.00 0.00 55.69 53.36 1irg s MET 111 Cb -0.14 -3.25 -0.08 0.00 2.01 0.00 0.00 34.83 33.37 1irg s MET 111 CO 0.02 0.15 0.86 -0.51 -0.01 0.00 0.00 175.02 175.53 1irg s LEU 112 N 0.70 4.62 0.00 -0.03 1.43 -0.10 -4.27 118.68 121.03 1irg s LEU 112 Ca 0.03 1.79 0.29 0.00 -1.03 0.00 0.00 54.13 55.21 1irg s LEU 112 Cb -0.13 -3.45 1.70 0.00 0.03 0.00 0.00 46.19 44.34 1irg s LEU 112 CO 0.02 0.17 2.04 -0.81 0.23 0.00 0.00 176.35 178.00