#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1irg n VAL 3 N 0.00-10.67 -2.80 0.52 0.31 -1.26 -5.01 118.33 99.43 1irg n VAL 3 Ca 0.00 0.49 -0.22 0.00 -0.01 0.00 0.00 64.34 64.60 1irg n VAL 3 Cb 0.00 -7.14 0.02 0.00 -0.91 0.00 0.00 33.84 25.82 1irg n VAL 3 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1irg s GLU 4 N -2.73 2.80 -1.02 5.55 2.12 -1.26 -4.98 118.70 119.18 1irg s GLU 4 Ca 0.16 -0.62 -0.05 0.00 0.36 0.00 0.00 54.97 54.82 1irg s GLU 4 Cb -0.04 -2.52 0.07 0.00 0.26 0.00 0.00 34.13 31.90 1irg s GLU 4 CO 0.75 -0.50 2.60 0.54 -0.54 0.00 0.00 175.26 178.10 1irg n ARG 5 N -2.22 3.77 0.00 4.30 1.74 -1.26 -4.95 116.66 118.03 1irg n ARG 5 Ca 0.05 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 1irg n ARG 5 Cb 0.59 -2.47 0.00 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 1.61 1.48 -3.66 5.56 0.00 -1.26 -5.06 117.12 115.78 1irg n MET 6 Ca 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 58.17 1irg n MET 6 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.53 1irg n MET 6 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1irg s ARG 7 N 0.00 0.99 0.37 3.17 6.06 -1.26 -5.03 118.95 123.26 1irg s ARG 7 Ca 0.00 -0.61 0.08 0.00 -2.50 0.00 0.00 55.73 52.70 1irg s ARG 7 Cb 0.00 0.44 0.74 0.00 0.06 0.00 0.00 34.95 36.19 1irg s ARG 7 CO 0.00 -0.37 1.92 1.98 -2.50 0.00 0.00 175.30 176.33 1irg h MET 8 N 2.64 0.34 0.32 5.12 1.85 -1.98 -1.30 114.93 121.92 1irg h MET 8 Ca -0.33 -0.07 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 1irg h MET 8 Cb 1.23 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 33.18 1irg h MET 8 CO 0.46 0.43 -0.48 0.00 -0.40 0.00 0.00 176.91 176.92 1irg h ARG 9 N 0.33 -0.82 0.00 0.39 3.08 -2.00 -1.54 114.38 113.82 1irg h ARG 9 Ca 0.07 0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 1irg h ARG 9 Cb 0.33 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1irg h ARG 9 CO 0.01 -0.55 -0.45 -1.00 -1.07 0.00 0.00 179.97 176.91 1irg h PRO 10 N -0.85 0.00 -0.49 0.04 0.13 -1.96 -1.64 132.00 127.23 1irg h PRO 10 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1irg h PRO 10 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1irg h PRO 10 CO -0.16 0.45 0.31 2.35 -0.23 0.00 0.00 178.00 180.73 1irg h TRP 11 N 0.00 0.63 -0.08 1.56 7.01 -0.72 -1.28 115.95 123.07 1irg h TRP 11 Ca -0.00 0.01 -0.20 0.00 2.11 0.00 0.00 58.89 60.80 1irg h TRP 11 Cb 0.81 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1irg h TRP 11 CO 0.00 0.42 -0.75 1.25 -2.79 0.00 0.00 178.44 176.57 1irg h LEU 12 N 0.66 0.79 -0.91 0.65 5.85 -1.16 -1.72 115.31 119.47 1irg h LEU 12 Ca 0.18 -0.68 0.18 0.00 0.84 0.00 0.00 57.88 58.39 1irg h LEU 12 Cb -0.04 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.65 1irg h LEU 12 CO -0.04 1.35 0.49 -0.08 -0.34 0.00 0.00 178.44 179.82 1irg h GLU 13 N 0.29 0.61 0.05 1.25 4.81 -1.02 -1.34 114.58 119.23 1irg h GLU 13 Ca -0.07 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1irg h GLU 13 Cb 1.40 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1irg h GLU 13 CO 0.15 0.40 -0.02 1.49 -0.73 0.00 0.00 179.01 180.30 1irg h GLU 14 N 0.63 -0.07 -0.80 1.92 4.81 -1.20 -1.16 114.58 118.71 1irg h GLU 14 Ca 0.52 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.86 1irg h GLU 14 Cb 0.82 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.09 1irg h GLU 14 CO -0.40 0.55 -0.48 1.96 -0.73 0.00 0.00 179.01 179.91 1irg h GLN 15 N -0.87 -0.11 -0.31 1.92 1.08 -0.77 0.41 115.11 116.46 1irg h GLN 15 Ca -0.01 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1irg h GLN 15 Cb 0.65 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 1irg h GLN 15 CO 0.01 -0.07 0.08 0.82 -0.95 0.00 0.00 178.83 178.72 1irg h ILE 16 N -0.11 1.21 0.00 2.54 2.04 -1.37 0.47 117.51 122.29 1irg h ILE 16 Ca 0.21 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.36 1irg h ILE 16 Cb 0.53 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 1irg h ILE 16 CO -0.83 0.24 0.00 0.59 0.00 0.00 0.00 178.15 178.14 1irg n ASN 17 N -4.67 0.00 -0.41 1.72 4.13 0.51 -2.15 115.26 114.40 1irg n ASN 17 Ca -0.02 0.61 0.33 0.00 1.68 0.00 0.00 54.58 57.18 1irg n ASN 17 Cb 0.18 -0.11 0.61 0.00 -1.54 0.00 0.00 39.78 38.92 1irg n ASN 17 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1irg h SER 18 N 0.00 0.30 -3.34 6.41 0.87 -0.46 -3.46 113.55 113.88 1irg h SER 18 Ca 0.00 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1irg h SER 18 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 1irg h SER 18 CO 0.00 -0.14 -0.05 -3.20 -0.53 0.00 0.00 176.83 172.92 1irg n ASN 19 N -4.73 -2.87 -0.02 6.23 2.85 0.14 -4.99 115.26 111.88 1irg n ASN 19 Ca 0.34 0.04 -0.08 0.00 -0.11 0.00 0.00 54.58 54.78 1irg n ASN 19 Cb 1.29 -1.64 -0.14 0.00 1.24 0.00 0.00 39.78 40.53 1irg n ASN 19 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1irg h THR 20 N 0.21 0.86 -3.58 -0.44 1.35 -1.79 -3.45 112.91 106.06 1irg h THR 20 Ca 0.00 -2.70 -0.67 0.00 -0.55 0.00 0.00 66.41 62.49 1irg h THR 20 Cb 0.47 2.42 -0.32 0.00 -1.73 0.00 0.00 68.15 68.98 1irg h THR 20 CO 0.03 0.49 -0.88 -0.63 -0.25 0.00 0.00 175.52 174.29 1irg s ILE 21 N -2.62 1.98 0.17 6.82 1.09 -1.26 -5.00 121.20 122.38 1irg s ILE 21 Ca -0.04 -0.99 0.17 0.00 -1.10 0.00 0.00 60.65 58.69 1irg s ILE 21 Cb 0.08 -1.70 0.10 0.00 -1.06 0.00 0.00 42.46 39.88 1irg s ILE 21 CO 0.82 0.54 1.70 1.55 -0.10 0.00 0.00 174.94 179.45 1irg h PRO 22 N 6.50 0.00 0.00 2.79 0.13 -1.93 -2.60 132.00 136.89 1irg h PRO 22 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1irg h PRO 22 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1irg h PRO 22 CO 0.47 0.43 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 1irg n GLY 23 N 0.28 -1.53 3.04 1.56 0.00 -1.26 -4.69 105.19 102.60 1irg n GLY 23 Ca -0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.46 1.69 0.00 0.99 2.96 -0.98 -2.09 118.68 117.79 1irg s LEU 24 Ca 0.13 -0.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1irg s LEU 24 Cb 0.16 -0.88 0.00 0.00 0.50 0.00 0.00 46.19 45.98 1irg s LEU 24 CO 0.53 0.05 0.00 2.29 -1.32 0.00 0.00 176.35 177.90 1irg n LYS 25 N 3.77 -2.01 -2.62 1.98 -0.00 -0.55 -4.38 118.16 114.36 1irg n LYS 25 Ca -0.22 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.66 1irg n LYS 25 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.52 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 -2.00 2.58 0.50 5.58 0.52 -1.26 -0.88 118.94 123.98 1irg s TRP 26 Ca 0.00 0.25 0.25 0.00 0.02 0.00 0.00 56.10 56.62 1irg s TRP 26 Cb 0.00 -4.47 1.50 0.00 -1.15 0.00 0.00 33.47 29.35 1irg s TRP 26 CO 0.00 -1.64 2.14 -0.07 0.02 0.00 0.00 176.95 177.40 1irg h LEU 27 N 11.98 0.00 -5.13 2.99 3.38 -0.24 -3.35 115.31 124.94 1irg h LEU 27 Ca -0.26 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.58 1irg h LEU 27 Cb 1.06 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.64 1irg h LEU 27 CO 1.19 0.07 -0.48 0.20 0.09 0.00 0.00 178.44 179.51 1irg s ASN 28 N -6.41 -1.44 0.64 -0.43 0.02 -1.07 -4.98 114.94 101.27 1irg s ASN 28 Ca -0.04 -1.59 0.39 0.00 -1.02 0.00 0.00 52.86 50.60 1irg s ASN 28 Cb 0.15 1.88 2.17 0.00 0.02 0.00 0.00 41.25 45.47 1irg s ASN 28 CO 0.60 -0.07 2.30 0.50 0.02 0.00 0.00 177.10 180.45 1irg h LYS 29 N 5.25 0.00 -0.87 -0.60 1.63 -1.75 0.35 116.57 120.58 1irg h LYS 29 Ca 0.06 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.93 1irg h LYS 29 Cb 1.12 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.69 1irg h LYS 29 CO 0.02 0.00 0.54 1.05 -3.45 0.00 0.00 179.45 177.61 1irg h GLU 30 N 0.00 0.94 -0.02 1.90 4.11 -1.94 -1.48 114.58 118.09 1irg h GLU 30 Ca 0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1irg h GLU 30 Cb 0.07 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1irg h GLU 30 CO -0.00 0.62 -0.41 1.63 0.07 0.00 0.00 179.01 180.92 1irg n LYS 31 N -4.63 1.38 -2.01 1.06 4.76 -0.26 -4.98 118.16 113.49 1irg n LYS 31 Ca 0.13 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 1irg n LYS 31 Cb 0.20 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 1irg n LYS 31 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1irg n LYS 32 N 0.11 0.00 -4.11 1.97 5.02 -0.05 -4.61 118.16 116.49 1irg n LYS 32 Ca 0.09 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.04 1irg n LYS 32 Cb 0.46 -2.32 -0.14 0.00 -0.02 0.00 0.00 35.03 33.01 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 -2.88 3.41 -0.06 -0.18 1.09 -0.65 -0.96 121.20 120.97 1irg s ILE 33 Ca 0.00 -0.49 0.01 0.00 -1.10 0.00 0.00 60.65 59.07 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 0.00 0.45 -0.07 0.72 -0.10 0.00 0.00 174.94 175.93 1irg s PHE 34 N 1.15 1.07 -0.02 3.97 -0.71 -0.26 0.55 117.98 123.74 1irg s PHE 34 Ca 0.02 -0.38 0.02 0.00 -1.04 0.00 0.00 56.93 55.55 1irg s PHE 34 Cb -0.14 -0.87 -0.03 0.00 -1.21 0.00 0.00 43.02 40.76 1irg s PHE 34 CO -0.01 -0.26 -0.05 1.14 -1.34 0.00 0.00 175.22 174.70 1irg s GLN 35 N 0.95 2.69 0.17 1.99 1.03 -0.06 -0.39 119.66 126.03 1irg s GLN 35 Ca -0.10 -0.63 0.07 0.00 0.04 0.00 0.00 55.36 54.74 1irg s GLN 35 Cb -0.15 -2.58 -0.04 0.00 0.03 0.00 0.00 33.01 30.27 1irg s GLN 35 CO 0.00 0.63 -0.00 0.42 -2.54 0.00 0.00 175.29 173.80 1irg s ILE 36 N -0.96 3.73 0.00 3.63 1.01 -0.76 -1.48 121.20 126.38 1irg s ILE 36 Ca 0.16 -1.40 -0.08 0.00 0.00 0.00 0.00 60.65 59.32 1irg s ILE 36 Cb -0.11 -2.87 -0.30 0.00 0.01 0.00 0.00 42.46 39.18 1irg s ILE 36 CO 0.06 -0.10 0.87 1.55 0.00 0.00 0.00 174.94 177.32 1irg h PRO 37 N 2.74 0.36 -3.91 2.79 0.13 -1.74 0.24 132.00 132.62 1irg h PRO 37 Ca -0.47 -0.61 -0.30 0.00 -0.87 0.00 0.00 66.00 63.74 1irg h PRO 37 Cb 1.20 0.23 0.07 0.00 0.13 0.00 0.00 31.00 32.63 1irg h PRO 37 CO 0.58 1.26 -0.48 0.91 -0.23 0.00 0.00 178.00 180.04 1irg n TRP 38 N -3.56 -1.74 -1.47 1.56 7.02 -1.26 -4.52 117.44 113.48 1irg n TRP 38 Ca -0.18 0.53 0.00 0.00 -1.02 0.00 0.00 57.50 56.83 1irg n TRP 38 Cb 1.06 -3.79 0.00 0.00 -2.42 0.00 0.00 31.31 26.16 1irg n TRP 38 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1irg n MET 39 N -3.47 -4.19 -2.94 -0.99 2.81 -1.26 -4.91 117.12 102.18 1irg n MET 39 Ca -0.05 3.08 -0.19 0.00 -1.81 0.00 0.00 57.70 58.74 1irg n MET 39 Cb 0.57 -3.45 -0.01 0.00 -0.71 0.00 0.00 33.22 29.62 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 -0.46 1.58 0.02 2.03 -0.00 -1.26 -4.90 115.22 112.22 1irg n HIS 40 Ca 0.00 -3.54 0.00 0.00 0.46 0.00 0.00 57.72 54.64 1irg n HIS 40 Cb 0.00 -0.39 0.00 0.00 -0.12 0.00 0.00 29.99 29.48 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 0.01 0.44 -2.98 1.57 0.00 -1.26 -5.12 120.51 113.16 1irg n ALA 41 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.66 1irg n ALA 41 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.10 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 -2.59 0.09 0.76 0.00 0.00 -1.25 -5.03 120.51 112.51 1irg n ALA 42 Ca 0.00 -0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.37 1irg n ALA 42 Cb 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.38 1irg n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1irg n ARG 43 N -1.10 0.65 0.00 0.00 0.63 -1.26 -4.80 116.66 110.78 1irg n ARG 43 Ca 0.01 -0.03 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1irg n ARG 43 Cb 0.05 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.54 1irg n ARG 43 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1irg n HIS 44 N -1.57 -0.54 0.00 -0.14 -0.00 -1.26 -5.15 115.22 106.57 1irg n HIS 44 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 1irg n HIS 44 Cb 0.33 0.21 0.00 0.00 -0.12 0.00 0.00 29.99 30.41 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 -0.04 2.61 2.22 1.57 0.00 -1.26 -4.91 105.19 105.38 1irg n GLY 45 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.75 0.00 1.61 2.14 -1.26 -4.01 117.44 114.17 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 -0.91 0.00 0.00 -0.81 0.00 0.00 31.31 29.59 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 -1.20 0.00 -3.41 -0.67 8.00 -1.26 -4.82 116.55 113.18 1irg n ASP 47 Ca 0.00 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.23 1irg n ASP 47 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.97 0.12 2.53 0.31 -1.26 -3.74 118.33 115.32 1irg n VAL 48 Ca 0.00 -3.57 0.11 0.00 -0.01 0.00 0.00 64.34 60.87 1irg n VAL 48 Cb 0.00 -1.71 -0.15 0.00 -0.91 0.00 0.00 33.84 31.07 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 2.67 0.58 0.04 5.55 0.28 -1.26 -3.92 120.64 124.57 1irg n GLU 49 Ca 0.29 -0.15 -0.20 0.00 -0.16 0.00 0.00 57.16 56.94 1irg n GLU 49 Cb 0.47 -1.54 -0.11 0.00 1.43 0.00 0.00 31.44 31.69 1irg n GLU 49 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 1irg h LYS 50 N 0.00 0.57 -0.94 3.44 1.57 -2.02 -3.20 116.57 116.00 1irg h LYS 50 Ca 0.00 -0.66 -0.32 0.00 -1.87 0.00 0.00 60.65 57.79 1irg h LYS 50 Cb 0.94 0.20 -0.19 0.00 0.08 0.00 0.00 32.23 33.26 1irg h LYS 50 CO 0.00 1.27 0.41 -0.25 -0.57 0.00 0.00 179.45 180.31 1irg n ASP 51 N -3.97 3.80 0.00 0.86 9.92 -1.26 -4.33 116.55 121.57 1irg n ASP 51 Ca -0.12 -3.14 -0.21 0.00 -0.53 0.00 0.00 54.79 50.79 1irg n ASP 51 Cb 0.84 -0.74 -0.14 0.00 -0.64 0.00 0.00 41.12 40.44 1irg n ASP 51 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1irg n ALA 52 N -0.52 0.87 -0.68 2.24 0.00 -1.21 -3.28 120.51 117.93 1irg n ALA 52 Ca 0.41 -0.58 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 1irg n ALA 52 Cb 1.33 -0.68 -0.07 0.00 0.00 0.00 0.00 19.45 20.03 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 -3.53 1.37 0.00 0.00 -0.04 -1.26 -1.61 135.00 129.92 1irg n PRO 53 Ca -0.32 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1irg n PRO 53 Cb 1.03 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1irg n PRO 53 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1irg n LEU 54 N 1.97 0.00 0.05 1.53 -0.00 -1.26 -4.80 117.00 114.49 1irg n LEU 54 Ca 0.18 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 56.07 1irg n LEU 54 Cb 0.65 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.93 1irg n LEU 54 CO 0.06 0.00 -0.20 0.15 -0.00 0.00 0.00 177.39 177.39 1irg h PHE 55 N 0.00 0.25 0.00 1.47 3.04 -1.62 -2.78 116.94 117.31 1irg h PHE 55 Ca 0.00 -0.19 -0.02 0.00 3.98 0.00 0.00 57.97 61.75 1irg h PHE 55 Cb 0.00 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.50 1irg h PHE 55 CO 0.00 1.20 -0.08 -0.09 -2.02 0.00 0.00 178.31 177.33 1irg h ARG 56 N 0.04 0.00 0.00 1.11 1.12 -1.47 -2.06 114.38 113.12 1irg h ARG 56 Ca -0.17 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 1irg h ARG 56 Cb 1.94 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.90 1irg h ARG 56 CO 0.14 0.08 0.00 -1.71 -3.11 0.00 0.00 179.97 175.37 1irg n ASN 57 N -3.17 0.00 0.00 -3.80 5.15 -1.05 -3.80 115.26 108.59 1irg n ASN 57 Ca 0.01 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 1irg n ASN 57 Cb 0.40 -0.44 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 -1.44 0.00 -0.25 1.20 5.03 -0.77 -0.34 117.44 120.87 1irg n TRP 58 Ca 0.04 0.00 0.12 0.00 3.03 0.00 0.00 57.50 60.69 1irg n TRP 58 Cb 0.14 -0.10 0.23 0.00 -1.03 0.00 0.00 31.31 30.55 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 -0.80 0.40 -0.25 6.99 0.00 -1.25 -1.00 120.51 124.60 1irg n ALA 59 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1irg n ALA 59 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -4.99 0.00 0.00 0.00 2.08 -1.23 -1.87 119.36 113.35 1irg n ILE 60 Ca 0.18 0.50 0.00 0.00 0.56 0.00 0.00 62.75 63.99 1irg n ILE 60 Cb 0.59 -1.28 0.00 0.00 -0.75 0.00 0.00 39.64 38.20 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 -1.63 0.00 -0.33 1.39 -0.00 0.54 -0.32 115.22 114.88 1irg n HIS 61 Ca 0.00 0.00 0.24 0.00 0.46 0.00 0.00 57.72 58.42 1irg n HIS 61 Cb 0.00 -0.22 0.46 0.00 -0.12 0.00 0.00 29.99 30.11 1irg n HIS 61 CO 0.00 0.00 0.00 1.79 0.46 0.00 0.00 176.34 178.59 1irg h THR 62 N 0.00 0.08 -0.08 3.57 1.35 -1.18 -3.44 112.91 113.21 1irg h THR 62 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1irg h THR 62 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1irg h THR 62 CO 0.00 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1irg n GLY 63 N -1.34 1.27 2.09 5.82 0.00 0.56 -4.99 105.19 108.60 1irg n GLY 63 Ca 0.31 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.85 2.99 0.00 1.61 4.76 -0.78 -4.83 118.16 121.06 1irg n LYS 64 Ca 0.00 -3.65 0.00 0.00 -2.87 0.00 0.00 58.31 51.79 1irg n LYS 64 Cb 0.20 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 1irg n LYS 64 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1irg n HIS 65 N -0.86 0.00 -0.65 2.13 -0.00 -1.16 -4.86 115.22 109.83 1irg n HIS 65 Ca 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.24 1irg n HIS 65 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.85 1irg n HIS 65 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 1irg n GLN 66 N -0.64 -1.52 -2.44 1.57 7.27 -1.23 -2.07 117.38 118.31 1irg n GLN 66 Ca 0.00 1.19 -0.42 0.00 0.07 0.00 0.00 57.00 57.84 1irg n GLN 66 Cb 0.00 -1.19 -0.02 0.00 2.41 0.00 0.00 30.24 31.43 1irg n GLN 66 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1irg s PRO 67 N -3.16 3.47 0.00 3.69 0.04 -1.26 -1.84 135.00 135.94 1irg s PRO 67 Ca 0.00 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1irg s PRO 67 Cb 0.00 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1irg s PRO 67 CO 0.00 -1.72 0.00 0.41 0.04 0.00 0.00 177.00 175.73 1irg n GLY 68 N 5.12 2.11 0.32 0.56 0.00 -1.26 -4.91 105.19 107.13 1irg n GLY 68 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.52 -4.58 -0.61 5.41 -1.13 -5.06 119.36 113.92 1irg n ILE 69 Ca 0.00 -0.17 -0.27 0.00 1.00 0.00 0.00 62.75 63.31 1irg n ILE 69 Cb 0.00 -1.16 -0.11 0.00 -0.71 0.00 0.00 39.64 37.67 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 -5.29 3.72 0.35 4.38 2.15 -0.77 -5.03 116.67 116.19 1irg s ASP 70 Ca -0.13 -1.30 -0.14 0.00 0.43 0.00 0.00 52.55 51.41 1irg s ASP 70 Cb 0.04 -0.36 -0.08 0.00 -0.30 0.00 0.00 42.92 42.22 1irg s ASP 70 CO 0.19 -0.36 0.75 -0.54 -0.17 0.00 0.00 175.17 175.04 1irg s LYS 71 N -3.68 3.95 -0.81 4.34 3.01 -1.26 -4.63 119.74 120.65 1irg s LYS 71 Ca 0.34 0.63 -0.25 0.00 -1.01 0.00 0.00 55.97 55.68 1irg s LYS 71 Cb 0.07 -2.41 0.01 0.00 -1.01 0.00 0.00 37.83 34.49 1irg s LYS 71 CO 0.17 0.10 1.54 -1.25 0.51 0.00 0.00 175.35 176.42 1irg s PRO 72 N -3.22 3.09 -0.41 -1.68 0.04 -1.26 -4.91 135.00 126.66 1irg s PRO 72 Ca 0.54 -0.31 -0.08 0.00 0.04 0.00 0.00 61.00 61.19 1irg s PRO 72 Cb -0.10 -4.66 0.08 0.00 0.04 0.00 0.00 34.50 29.85 1irg s PRO 72 CO 0.21 -2.46 0.23 -0.51 0.04 0.00 0.00 177.00 174.51 1irg s ASP 73 N 5.56 5.55 0.00 6.66 1.11 -1.26 -4.92 116.67 129.37 1irg s ASP 73 Ca 0.49 -1.51 0.25 0.00 0.18 0.00 0.00 52.55 51.96 1irg s ASP 73 Cb -0.07 -1.95 1.25 0.00 1.07 0.00 0.00 42.92 43.22 1irg s ASP 73 CO 0.07 -0.51 1.83 -0.81 1.18 0.00 0.00 175.17 176.93 1irg n PRO 74 N 4.87 0.36 0.14 8.23 -0.04 -1.26 -2.99 135.00 144.31 1irg n PRO 74 Ca -0.10 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1irg n PRO 74 Cb 0.43 -1.50 0.03 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 0.00 0.00 0.54 3.64 -1.98 -3.22 116.57 115.55 1irg h LYS 75 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1irg h LYS 75 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1irg h LYS 75 CO 0.00 0.45 -1.02 2.41 -2.27 0.00 0.00 179.45 179.02 1irg n THR 76 N -3.20 0.04 1.55 1.00 -1.04 -1.16 -3.85 114.28 107.61 1irg n THR 76 Ca 0.02 -0.11 0.15 0.00 -2.04 0.00 0.00 64.05 62.06 1irg n THR 76 Cb 0.72 0.57 0.75 0.00 -1.82 0.00 0.00 70.33 70.55 1irg n THR 76 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1irg n TRP 77 N -1.70 0.00 -0.00 -1.42 8.01 -1.22 -3.43 117.44 117.69 1irg n TRP 77 Ca 0.03 0.00 0.03 0.00 -1.31 0.00 0.00 57.50 56.25 1irg n TRP 77 Cb 0.38 -0.18 -0.05 0.00 -2.01 0.00 0.00 31.31 29.45 1irg n TRP 77 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.69 177.85 1irg n LYS 78 N -1.09 0.32 0.08 -0.99 3.00 -1.25 -4.48 118.16 113.75 1irg n LYS 78 Ca 0.17 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.31 58.32 1irg n LYS 78 Cb 0.23 -1.15 -0.04 0.00 0.00 0.00 0.00 35.03 34.07 1irg n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1irg h ALA 79 N 0.58 0.43 -0.09 3.14 0.00 -1.66 -2.97 119.26 118.70 1irg h ALA 79 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1irg h ALA 79 Cb 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1irg h ALA 79 CO 0.00 0.92 0.00 0.09 0.00 0.00 0.00 179.25 180.26 1irg n ASN 80 N -3.65 0.64 -0.12 0.00 3.02 -1.22 -3.66 115.26 110.27 1irg n ASN 80 Ca -0.05 -1.70 -0.18 0.00 -0.03 0.00 0.00 54.58 52.63 1irg n ASN 80 Cb 0.84 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.85 1irg n ASN 80 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1irg n PHE 81 N -0.29 0.00 0.07 3.10 -0.00 -1.13 -4.22 117.46 115.00 1irg n PHE 81 Ca 0.11 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.74 1irg n PHE 81 Cb 0.14 -0.91 0.71 0.00 -0.00 0.00 0.00 39.48 39.42 1irg n PHE 81 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 1irg h ARG 82 N -0.10 0.00 -0.21 -4.13 1.12 -1.62 0.15 114.38 109.59 1irg h ARG 82 Ca -0.54 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.19 1irg h ARG 82 Cb 1.79 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.74 1irg h ARG 82 CO -0.12 0.00 -0.45 0.00 -3.11 0.00 0.00 179.97 176.29 1irg h ALA 84 N 1.08 1.89 0.00 0.00 0.00 -0.86 0.46 119.26 121.83 1irg h ALA 84 Ca 0.03 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.63 1irg h ALA 84 Cb 0.95 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 1irg h ALA 84 CO 0.08 -0.59 -1.74 -1.33 0.00 0.00 0.00 179.25 175.67 1irg n MET 85 N -3.42 0.64 0.00 0.00 2.81 -0.93 -3.66 117.12 112.56 1irg n MET 85 Ca 0.05 0.29 0.11 0.00 -1.81 0.00 0.00 57.70 56.34 1irg n MET 85 Cb 0.58 -1.78 0.68 0.00 -0.71 0.00 0.00 33.22 31.98 1irg n MET 85 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1irg n ASN 86 N -3.04 0.00 -0.30 7.83 6.94 0.15 -4.79 115.26 122.04 1irg n ASN 86 Ca -0.18 -1.24 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 1irg n ASN 86 Cb 1.06 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.48 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 -0.87 0.38 -1.54 0.53 2.88 -0.50 -4.92 113.62 109.58 1irg n SER 87 Ca 0.17 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 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 -1.73 -0.89 2.46 4.32 -1.26 -4.61 117.00 115.29 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 -1.35 0.28 -0.81 -1.22 0.00 0.00 177.39 174.29 1irg n PRO 89 N 1.85 0.63 0.00 3.23 -0.04 -1.26 -2.45 135.00 136.96 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 0.58 0.53 -4.73 3.54 9.92 -1.26 -5.01 116.55 120.11 1irg n ASP 90 Ca 0.00 -0.97 -0.40 0.00 -0.53 0.00 0.00 54.79 52.89 1irg n ASP 90 Cb 0.28 0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.73 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 -0.02 4.90 -0.33 0.53 -4.36 -1.02 -0.72 121.20 120.18 1irg s ILE 91 Ca 0.00 1.58 0.03 0.00 -0.26 0.00 0.00 60.65 62.01 1irg s ILE 91 Cb 0.00 -4.10 0.10 0.00 1.25 0.00 0.00 42.46 39.71 1irg s ILE 91 CO 0.00 0.29 0.05 -0.70 0.24 0.00 0.00 174.94 174.82 1irg s GLU 92 N 0.48 1.42 0.35 0.37 2.56 0.64 -4.79 118.70 119.72 1irg s GLU 92 Ca 0.39 -1.76 -0.29 0.00 0.00 0.00 0.00 54.97 53.32 1irg s GLU 92 Cb -0.19 -3.05 -0.11 0.00 2.00 0.00 0.00 34.13 32.78 1irg s GLU 92 CO 0.21 -0.93 1.47 -1.83 -0.56 0.00 0.00 175.26 173.63 1irg s GLU 93 N 0.99 4.15 -0.39 4.30 -1.05 -1.26 -1.19 118.70 124.26 1irg s GLU 93 Ca 0.10 2.51 0.05 0.00 -0.15 0.00 0.00 54.97 57.48 1irg s GLU 93 Cb -0.19 -3.00 0.16 0.00 -0.44 0.00 0.00 34.13 30.67 1irg s GLU 93 CO -0.10 -0.49 0.47 0.08 0.95 0.00 0.00 175.26 176.17 1irg s VAL 94 N -0.92 -0.56 -0.36 1.83 1.01 0.33 -4.90 120.40 116.84 1irg s VAL 94 Ca 0.54 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1irg s VAL 94 Cb -0.45 -0.44 0.67 0.00 0.00 0.00 0.00 36.38 36.16 1irg s VAL 94 CO 0.59 -0.39 1.79 2.29 0.00 0.00 0.00 175.10 179.37 1irg n LYS 95 N 4.24 2.84 -3.13 2.72 2.85 -1.25 -0.84 118.16 125.59 1irg n LYS 95 Ca 0.12 -3.06 -0.10 0.00 -1.05 0.00 0.00 58.31 54.21 1irg n LYS 95 Cb 0.49 -2.13 0.01 0.00 -0.65 0.00 0.00 35.03 32.75 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 -0.71 -6.79 0.14 -5.58 9.92 -1.26 -4.71 116.55 107.56 1irg n ASP 96 Ca 0.47 0.51 0.00 0.00 -0.53 0.00 0.00 54.79 55.24 1irg n ASP 96 Cb 1.43 -2.85 0.29 0.00 -0.64 0.00 0.00 41.12 39.35 1irg n ASP 96 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1irg h ARG 97 N 2.94 0.10 0.00 -1.24 9.65 -1.99 -3.40 114.38 120.44 1irg h ARG 97 Ca -0.14 -0.05 -0.20 0.00 -1.10 0.00 0.00 59.98 58.50 1irg h ARG 97 Cb 0.88 -0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.32 1irg h ARG 97 CO 0.10 0.49 -0.31 0.43 2.80 0.00 0.00 179.97 183.48 1irg n SER 98 N -4.05 -2.13 0.00 -3.80 7.64 -1.26 -5.07 113.62 104.96 1irg n SER 98 Ca -0.02 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1irg n SER 98 Cb 0.45 1.67 0.00 0.00 -1.01 0.00 0.00 64.21 65.32 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 0.67 0.00 -0.05 0.44 5.41 -1.26 -5.02 119.36 119.54 1irg n ILE 99 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.76 1irg n ILE 99 Cb 0.70 -0.12 -0.01 0.00 -0.71 0.00 0.00 39.64 39.50 1irg n ILE 99 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1irg h LYS 100 N 0.00 0.00 -5.55 0.38 1.57 -1.97 -3.50 116.57 107.50 1irg h LYS 100 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1irg h LYS 100 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1irg h LYS 100 CO 0.00 0.00 -0.92 1.63 -0.57 0.00 0.00 179.45 179.59 1irg n LYS 101 N -4.18 -2.48 0.00 3.15 5.02 -1.26 -4.66 118.16 113.76 1irg n LYS 101 Ca -0.05 2.13 0.00 0.00 -2.02 0.00 0.00 58.31 58.37 1irg n LYS 101 Cb 0.18 -4.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.96 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 0.57 1.87 0.11 0.72 0.00 -1.26 -4.93 105.19 102.27 1irg n GLY 102 Ca 0.02 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 1.09 0.00 1.61 5.15 -1.26 -4.87 115.26 116.98 1irg n ASN 103 Ca 0.00 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.05 1irg n ASN 103 Cb 0.00 0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.94 1irg n ASN 103 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1irg n ASN 104 N -1.17 0.00 -0.41 1.20 3.02 -1.26 -5.06 115.26 111.58 1irg n ASN 104 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1irg n ASN 104 Cb 0.36 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.53 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 -3.00 0.00 -2.73 5.41 0.00 -1.26 -5.08 120.51 113.85 1irg n ALA 105 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1irg n ALA 105 Cb 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.79 0.29 -1.10 0.00 0.08 -1.26 -4.87 117.98 108.32 1irg s PHE 106 Ca 0.00 -0.66 -0.21 0.00 0.12 0.00 0.00 56.93 56.17 1irg s PHE 106 Cb 0.00 -0.02 0.06 0.00 -0.57 0.00 0.00 43.02 42.49 1irg s PHE 106 CO 0.00 -0.69 1.52 0.50 -0.10 0.00 0.00 175.22 176.45 1irg s ARG 107 N -3.93 3.71 -0.49 0.44 3.52 0.85 -3.83 118.95 119.23 1irg s ARG 107 Ca 0.13 -1.42 -0.28 0.00 -0.13 0.00 0.00 55.73 54.04 1irg s ARG 107 Cb 0.03 -5.39 -0.01 0.00 -1.56 0.00 0.00 34.95 28.02 1irg s ARG 107 CO -0.03 -2.20 1.75 0.08 -0.81 0.00 0.00 175.30 174.08 1irg s VAL 108 N 4.64 3.50 -0.17 7.11 1.01 -0.02 -1.83 120.40 134.65 1irg s VAL 108 Ca 0.48 0.42 -0.16 0.00 0.00 0.00 0.00 61.98 62.73 1irg s VAL 108 Cb 0.01 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 1irg s VAL 108 CO -0.05 -0.75 0.37 -0.31 0.00 0.00 0.00 175.10 174.37 1irg s TYR 109 N 7.61 3.44 -0.28 5.22 2.02 0.47 0.12 117.35 135.95 1irg s TYR 109 Ca 0.69 0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 57.99 1irg s TYR 109 Cb -0.16 -2.46 -0.01 0.00 -0.40 0.00 0.00 41.96 38.93 1irg s TYR 109 CO 0.27 0.12 0.08 0.50 -1.57 0.00 0.00 175.55 174.96 1irg s ARG 110 N 0.83 3.31 -1.17 -0.62 3.52 -0.33 -1.10 118.95 123.39 1irg s ARG 110 Ca 0.20 -0.72 -0.13 0.00 -0.13 0.00 0.00 55.73 54.95 1irg s ARG 110 Cb -0.14 -3.38 0.19 0.00 -1.56 0.00 0.00 34.95 30.06 1irg s ARG 110 CO 0.07 -0.36 1.35 -1.64 -0.81 0.00 0.00 175.30 173.92 1irg s MET 111 N 1.55 4.07 0.94 5.12 -1.94 -0.13 -0.26 119.30 128.65 1irg s MET 111 Ca 0.04 -2.63 -0.15 0.00 -1.71 0.00 0.00 55.69 51.24 1irg s MET 111 Cb -0.16 -4.97 -0.07 0.00 2.01 0.00 0.00 34.83 31.64 1irg s MET 111 CO 0.03 -1.68 -0.21 1.28 -0.01 0.00 0.00 175.02 174.44 1irg n LEU 112 N 5.22 -3.18 0.00 -0.03 4.77 0.11 -4.69 117.00 119.19 1irg n LEU 112 Ca 0.34 0.28 0.14 0.00 -0.03 0.00 0.00 56.01 56.74 1irg n LEU 112 Cb 0.43 -0.97 0.86 0.00 -2.33 0.00 0.00 43.42 41.40 1irg n LEU 112 CO 0.59 -4.85 1.03 -0.81 -1.33 0.00 0.00 177.39 172.02