#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 4.97 -0.37 0.52 1.01 -1.26 -4.88 120.40 120.39 1irg s VAL 3 Ca 0.00 -2.03 0.14 0.00 0.00 0.00 0.00 61.98 60.09 1irg s VAL 3 Cb 0.00 -4.16 0.42 0.00 0.00 0.00 0.00 36.38 32.64 1irg s VAL 3 CO 0.00 -0.90 0.94 -0.62 0.00 0.00 0.00 175.10 174.52 1irg n GLU 4 N 4.58 1.68 -2.66 2.72 1.02 -1.26 -4.94 120.64 121.78 1irg n GLU 4 Ca -0.01 -3.62 -0.04 0.00 -0.02 0.00 0.00 57.16 53.47 1irg n GLU 4 Cb 0.42 -1.59 0.05 0.00 -0.02 0.00 0.00 31.44 30.31 1irg n GLU 4 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1irg n ARG 5 N -0.09 0.07 -1.78 3.49 -4.01 -1.26 -5.07 116.66 108.02 1irg n ARG 5 Ca 0.19 -0.66 0.00 0.00 -1.04 0.00 0.00 57.85 56.34 1irg n ARG 5 Cb 0.73 0.11 0.00 0.00 -3.04 0.00 0.00 32.46 30.26 1irg n ARG 5 CO 0.00 0.00 0.00 -0.12 -3.04 0.00 0.00 177.63 174.47 1irg n MET 6 N 2.15 -0.45 -1.51 2.89 0.00 -1.26 -4.71 117.12 114.24 1irg n MET 6 Ca 0.07 0.55 -0.39 0.00 -0.00 0.00 0.00 57.70 57.93 1irg n MET 6 Cb 0.68 -0.47 0.03 0.00 0.00 0.00 0.00 33.22 33.46 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 1.42 0.68 -0.07 2.12 3.00 -1.26 -4.73 116.66 117.82 1irg n ARG 7 Ca 0.00 0.26 -0.04 0.00 -0.00 0.00 0.00 57.85 58.07 1irg n ARG 7 Cb 0.12 -1.79 0.18 0.00 0.00 0.00 0.00 32.46 30.96 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 0.50 0.69 0.10 -0.14 1.85 -1.99 -1.64 114.93 114.30 1irg h MET 8 Ca -0.45 -0.20 0.02 0.00 -0.61 0.00 0.00 59.70 58.45 1irg h MET 8 Cb 1.39 -0.07 -0.05 0.00 0.43 0.00 0.00 31.60 33.30 1irg h MET 8 CO 0.49 0.76 -0.45 0.00 -0.40 0.00 0.00 176.91 177.31 1irg h ARG 9 N 0.64 -0.65 -0.25 0.39 2.47 -2.00 -1.47 114.38 113.51 1irg h ARG 9 Ca 0.12 0.04 -0.15 0.00 -1.26 0.00 0.00 59.98 58.73 1irg h ARG 9 Cb 0.51 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1irg h ARG 9 CO 0.03 -0.43 -0.47 -1.00 0.56 0.00 0.00 179.97 178.65 1irg h PRO 10 N -0.68 0.65 -0.67 0.04 0.13 -1.92 -1.71 132.00 127.84 1irg h PRO 10 Ca 0.02 -0.37 0.08 0.00 -0.87 0.00 0.00 66.00 64.85 1irg h PRO 10 Cb 0.71 0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.80 1irg h PRO 10 CO -0.27 0.98 0.34 2.35 -0.23 0.00 0.00 178.00 181.18 1irg h TRP 11 N 0.52 0.62 -0.11 1.56 7.01 -0.97 -1.33 115.95 123.24 1irg h TRP 11 Ca 0.03 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.96 1irg h TRP 11 Cb 1.01 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.90 1irg h TRP 11 CO 0.05 0.26 -0.29 -0.07 -2.79 0.00 0.00 178.44 175.59 1irg h LEU 12 N 0.61 0.45 -0.85 0.65 4.07 -1.19 -1.78 115.31 117.27 1irg h LEU 12 Ca 0.32 -0.58 0.21 0.00 0.08 0.00 0.00 57.88 57.91 1irg h LEU 12 Cb 0.28 -0.13 -0.15 0.00 1.08 0.00 0.00 40.66 41.75 1irg h LEU 12 CO -0.23 0.95 0.08 -0.08 -1.08 0.00 0.00 178.44 178.08 1irg h GLU 13 N -0.03 0.11 -0.06 1.13 4.81 -0.63 0.20 114.58 120.10 1irg h GLU 13 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1irg h GLU 13 Cb 0.90 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1irg h GLU 13 CO 0.06 0.07 -0.06 1.49 -0.73 0.00 0.00 179.01 179.84 1irg h GLU 14 N 0.11 0.15 0.00 1.92 4.22 -1.18 -0.89 114.58 118.90 1irg h GLU 14 Ca 0.50 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.86 1irg h GLU 14 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1irg h GLU 14 CO -0.73 0.60 0.00 1.04 -2.18 0.00 0.00 179.01 177.74 1irg n GLN 15 N -4.73 0.00 -0.03 1.92 1.13 0.42 -0.45 117.38 115.64 1irg n GLN 15 Ca -0.08 0.65 -0.09 0.00 -1.94 0.00 0.00 57.00 55.55 1irg n GLN 15 Cb 0.30 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.16 1irg n GLN 15 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1irg h ILE 16 N 0.00 0.33 0.00 5.09 2.04 -0.95 -0.78 117.51 123.24 1irg h ILE 16 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1irg h ILE 16 Cb 0.00 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1irg h ILE 16 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.95 1irg n ASN 17 N -5.39 0.00 -0.52 1.72 2.85 -0.34 -1.38 115.26 112.20 1irg n ASN 17 Ca -0.02 0.89 0.42 0.00 -0.11 0.00 0.00 54.58 55.76 1irg n ASN 17 Cb 0.31 -0.39 0.71 0.00 1.24 0.00 0.00 39.78 41.65 1irg n ASN 17 CO 0.00 0.00 0.00 -1.28 -2.11 0.00 0.00 177.26 173.87 1irg h SER 18 N 0.00 0.16 -3.47 1.20 0.87 -0.72 -3.45 113.55 108.14 1irg h SER 18 Ca 0.00 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 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 -0.18 -0.04 -3.20 -0.53 0.00 0.00 176.83 172.89 1irg n ASN 19 N -4.53 -3.18 0.03 6.23 5.15 -0.30 -4.98 115.26 113.67 1irg n ASN 19 Ca 0.40 0.03 -0.02 0.00 -0.60 0.00 0.00 54.58 54.39 1irg n ASN 19 Cb 1.63 -1.87 -0.09 0.00 -0.53 0.00 0.00 39.78 38.91 1irg n ASN 19 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1irg h THR 20 N 0.20 0.68 -3.63 -0.44 2.02 -1.81 -3.46 112.91 106.47 1irg h THR 20 Ca 0.00 -2.27 -0.52 0.00 0.77 0.00 0.00 66.41 64.39 1irg h THR 20 Cb 0.72 2.21 -0.32 0.00 -1.74 0.00 0.00 68.15 69.01 1irg h THR 20 CO 0.05 0.39 -0.82 -0.63 0.37 0.00 0.00 175.52 174.88 1irg s ILE 21 N -2.83 1.21 -2.00 3.11 1.09 -1.26 -5.00 121.20 115.52 1irg s ILE 21 Ca -0.03 -0.56 0.17 0.00 -1.10 0.00 0.00 60.65 59.13 1irg s ILE 21 Cb 0.08 -1.08 0.47 0.00 -1.06 0.00 0.00 42.46 40.88 1irg s ILE 21 CO 0.81 0.36 1.41 -0.81 -0.10 0.00 0.00 174.94 176.62 1irg n PRO 22 N 3.51 0.61 -0.01 2.79 -0.04 -1.26 -2.18 135.00 138.42 1irg n PRO 22 Ca -0.20 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.32 1irg n PRO 22 Cb 0.53 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.20 -0.62 3.21 0.55 0.00 -1.26 -4.91 105.19 102.35 1irg n GLY 23 Ca 0.12 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.93 2.18 0.09 0.99 2.96 -0.93 -1.73 118.68 118.31 1irg s LEU 24 Ca -0.05 -0.56 -0.26 0.00 -0.22 0.00 0.00 54.13 53.05 1irg s LEU 24 Cb 0.09 -1.46 0.09 0.00 0.50 0.00 0.00 46.19 45.41 1irg s LEU 24 CO 0.57 0.11 1.13 -1.59 -1.32 0.00 0.00 176.35 175.26 1irg s LYS 25 N 0.63 0.90 -0.55 1.98 0.00 -0.50 -4.34 119.74 117.85 1irg s LYS 25 Ca -0.11 -0.56 -0.26 0.00 0.00 0.00 0.00 55.97 55.04 1irg s LYS 25 Cb -0.16 0.27 0.03 0.00 0.00 0.00 0.00 37.83 37.97 1irg s LYS 25 CO 0.02 -0.42 1.04 -1.58 0.00 0.00 0.00 175.35 174.42 1irg s TRP 26 N -2.36 2.73 0.33 1.78 0.52 -1.26 -1.02 118.94 119.66 1irg s TRP 26 Ca 0.21 0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.59 1irg s TRP 26 Cb -0.00 -4.25 0.58 0.00 -1.15 0.00 0.00 33.47 28.65 1irg s TRP 26 CO 0.02 -1.41 1.85 -0.07 0.02 0.00 0.00 176.95 177.35 1irg h LEU 27 N 11.31 0.47 -5.00 2.99 3.38 -0.68 -3.37 115.31 124.40 1irg h LEU 27 Ca -0.25 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.45 1irg h LEU 27 Cb 1.07 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.54 1irg h LEU 27 CO 1.12 0.58 -0.49 0.59 0.09 0.00 0.00 178.44 180.33 1irg n ASN 28 N -4.25 -3.32 0.29 -0.43 4.13 -1.03 -4.99 115.26 105.66 1irg n ASN 28 Ca 0.01 -3.02 0.19 0.00 1.68 0.00 0.00 54.58 53.44 1irg n ASN 28 Cb 0.28 1.78 0.98 0.00 -1.54 0.00 0.00 39.78 41.27 1irg n ASN 28 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1irg h LYS 29 N 4.74 0.00 -0.79 3.52 -0.00 -1.74 0.01 116.57 122.31 1irg h LYS 29 Ca 0.01 0.00 0.08 0.00 -0.00 0.00 0.00 60.65 60.73 1irg h LYS 29 Cb 1.09 0.00 -0.07 0.00 -0.00 0.00 0.00 32.23 33.25 1irg h LYS 29 CO 0.09 0.00 0.45 1.05 -0.00 0.00 0.00 179.45 181.05 1irg h GLU 30 N 0.00 0.77 -0.01 0.07 4.11 -1.94 -0.27 114.58 117.31 1irg h GLU 30 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1irg h GLU 30 Cb 0.33 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1irg h GLU 30 CO -0.00 0.51 -0.44 1.63 0.07 0.00 0.00 179.01 180.78 1irg n LYS 31 N -4.73 1.05 -2.03 1.06 4.76 -0.18 -4.96 118.16 113.12 1irg n LYS 31 Ca 0.12 -0.81 0.00 0.00 -2.87 0.00 0.00 58.31 54.74 1irg n LYS 31 Cb 0.23 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1irg n LYS 31 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1irg n LYS 32 N -0.26 0.00 -3.81 1.97 3.00 -0.11 -4.45 118.16 114.50 1irg n LYS 32 Ca 0.10 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.05 1irg n LYS 32 Cb 0.43 -2.19 -0.12 0.00 0.00 0.00 0.00 35.03 33.15 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 -2.83 4.44 -0.06 3.15 1.09 -0.64 -1.01 121.20 125.34 1irg s ILE 33 Ca 0.00 -0.13 0.02 0.00 -1.10 0.00 0.00 60.65 59.43 1irg s ILE 33 Cb 0.00 -3.06 0.02 0.00 -1.06 0.00 0.00 42.46 38.35 1irg s ILE 33 CO 0.00 0.36 -0.09 0.72 -0.10 0.00 0.00 174.94 175.82 1irg s PHE 34 N 1.39 1.22 -0.17 3.97 -0.12 -0.47 0.10 117.98 123.89 1irg s PHE 34 Ca 0.05 -0.44 -0.07 0.00 -0.05 0.00 0.00 56.93 56.43 1irg s PHE 34 Cb -0.15 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 41.26 1irg s PHE 34 CO 0.04 -0.27 0.05 -1.14 -0.05 0.00 0.00 175.22 173.85 1irg s GLN 35 N 0.84 3.88 0.09 1.99 0.74 -0.19 -0.56 119.66 126.45 1irg s GLN 35 Ca -0.12 -0.37 0.04 0.00 0.05 0.00 0.00 55.36 54.97 1irg s GLN 35 Cb -0.15 -3.15 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 1irg s GLN 35 CO 0.02 0.30 0.03 0.42 -0.55 0.00 0.00 175.29 175.51 1irg s ILE 36 N 0.27 4.19 -0.04 -2.34 1.01 -0.72 -1.41 121.20 122.15 1irg s ILE 36 Ca 0.03 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.56 1irg s ILE 36 Cb -0.13 -3.01 -0.32 0.00 0.01 0.00 0.00 42.46 39.02 1irg s ILE 36 CO 0.01 0.12 0.88 1.55 0.00 0.00 0.00 174.94 177.50 1irg h PRO 37 N 3.39 0.33 0.00 2.79 0.13 -1.66 -0.04 132.00 136.93 1irg h PRO 37 Ca -0.47 -0.56 0.00 0.00 -0.87 0.00 0.00 66.00 64.09 1irg h PRO 37 Cb 1.16 0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1irg h PRO 37 CO 0.62 1.27 0.00 0.91 -0.23 0.00 0.00 178.00 180.57 1irg n TRP 38 N -4.05 0.00 -2.78 1.56 7.02 -1.26 -4.53 117.44 113.39 1irg n TRP 38 Ca -0.15 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.31 1irg n TRP 38 Cb 0.87 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.76 1irg n TRP 38 CO 0.00 0.00 0.00 -0.12 -2.02 0.00 0.00 177.69 175.55 1irg n MET 39 N 0.00 -3.13 -1.82 -0.99 0.00 -1.26 -4.74 117.12 105.17 1irg n MET 39 Ca 0.00 2.57 -0.42 0.00 -0.00 0.00 0.00 57.70 59.85 1irg n MET 39 Cb 0.00 -5.12 -0.03 0.00 0.00 0.00 0.00 33.22 28.08 1irg n MET 39 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 1irg s HIS 40 N -1.73 1.50 -1.27 1.12 3.76 -1.26 -3.44 115.29 113.96 1irg s HIS 40 Ca 0.04 0.69 -0.29 0.00 -0.15 0.00 0.00 55.06 55.35 1irg s HIS 40 Cb -0.01 -4.00 0.04 0.00 1.11 0.00 0.00 32.58 29.71 1irg s HIS 40 CO 0.73 -3.29 0.57 0.00 -0.85 0.00 0.00 174.74 171.91 1irg n ALA 41 N 11.48 -2.50 -3.98 -1.40 0.00 -1.26 -0.75 120.51 122.09 1irg n ALA 41 Ca 0.26 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 1irg n ALA 41 Cb 0.47 -2.35 0.03 0.00 0.00 0.00 0.00 19.45 17.60 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 -4.96 -2.61 -1.57 0.00 0.00 -1.22 -4.62 120.51 105.52 1irg n ALA 42 Ca -0.15 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.62 1irg n ALA 42 Cb 0.59 -2.87 -0.06 0.00 0.00 0.00 0.00 19.45 17.11 1irg n ALA 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1irg s ARG 43 N -7.02 1.67 -0.13 0.00 3.52 0.07 -1.40 118.95 115.66 1irg s ARG 43 Ca 0.47 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 1irg s ARG 43 Cb -0.24 -4.75 0.00 0.00 -1.56 0.00 0.00 34.95 28.40 1irg s ARG 43 CO 0.95 -4.29 0.00 0.72 -0.81 0.00 0.00 175.30 171.87 1irg n HIS 44 N 18.30 0.00 -3.18 5.12 8.25 -1.26 -4.86 115.22 137.60 1irg n HIS 44 Ca 0.45 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.69 1irg n HIS 44 Cb 0.45 -1.50 -0.05 0.00 1.12 0.00 0.00 29.99 30.01 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 -0.27 3.87 1.83 -1.41 0.00 -0.49 -4.86 105.19 103.86 1irg n GLY 45 Ca -0.01 -1.97 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 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 0.59 2.11 0.00 1.61 2.14 -1.25 -4.19 117.44 118.45 1irg n TRP 46 Ca 0.25 -1.03 0.00 0.00 2.07 0.00 0.00 57.50 58.79 1irg n TRP 46 Cb 0.55 -0.61 0.00 0.00 -0.81 0.00 0.00 31.31 30.43 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 -0.05 0.00 -1.40 -0.67 -0.08 -1.26 -5.02 116.55 108.06 1irg n ASP 47 Ca 0.35 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.58 1irg n ASP 47 Cb 1.24 0.00 0.11 0.00 2.34 0.00 0.00 41.12 44.80 1irg n ASP 47 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1irg n VAL 48 N 0.00 1.94 -2.10 5.18 0.31 -1.26 -4.94 118.33 117.46 1irg n VAL 48 Ca 0.00 -3.25 0.00 0.00 -0.01 0.00 0.00 64.34 61.08 1irg n VAL 48 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 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 -0.73 -2.50 0.23 5.55 0.28 -1.26 -4.73 120.64 117.48 1irg n GLU 49 Ca 0.24 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 57.09 1irg n GLU 49 Cb 0.85 -4.11 -0.08 0.00 1.43 0.00 0.00 31.44 29.53 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 -0.73 -0.11 3.44 1.57 -1.92 -3.28 116.57 115.54 1irg h LYS 50 Ca 0.00 0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.70 1irg h LYS 50 Cb 0.76 0.17 -0.19 0.00 0.08 0.00 0.00 32.23 33.04 1irg h LYS 50 CO 0.00 -0.49 -0.74 -0.25 -0.57 0.00 0.00 179.45 177.40 1irg n ASP 51 N -5.47 1.82 0.05 0.86 9.92 -1.26 -4.78 116.55 117.68 1irg n ASP 51 Ca -0.10 -3.18 0.12 0.00 -0.53 0.00 0.00 54.79 51.10 1irg n ASP 51 Cb 0.38 -0.44 0.07 0.00 -0.64 0.00 0.00 41.12 40.49 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 -0.54 3.04 -1.00 2.24 0.00 -1.24 -3.97 120.51 119.05 1irg n ALA 52 Ca 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1irg n ALA 52 Cb 0.87 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.15 0.00 0.16 0.00 -0.04 -1.26 -1.65 135.00 130.07 1irg n PRO 53 Ca 0.02 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1irg n PRO 53 Cb 0.46 -0.10 0.45 0.00 -0.04 0.00 0.00 33.50 34.27 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 0.00 0.43 0.03 1.53 -0.00 -1.26 0.34 117.00 118.06 1irg n LEU 54 Ca 0.00 0.64 -0.19 0.00 -0.00 0.00 0.00 56.01 56.46 1irg n LEU 54 Cb 0.00 -0.63 -0.12 0.00 -0.00 0.00 0.00 43.42 42.67 1irg n LEU 54 CO 0.00 -0.78 0.15 0.15 -0.00 0.00 0.00 177.39 176.91 1irg h PHE 55 N 0.00 0.69 0.00 1.47 3.57 -1.71 -2.53 116.94 118.43 1irg h PHE 55 Ca 0.00 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.09 1irg h PHE 55 Cb 0.36 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1irg h PHE 55 CO 0.00 1.25 0.00 -2.13 -2.23 0.00 0.00 178.31 175.20 1irg n ARG 56 N -4.11 0.05 0.00 1.11 3.00 0.15 -1.38 116.66 115.48 1irg n ARG 56 Ca -0.12 0.19 0.13 0.00 -0.00 0.00 0.00 57.85 58.06 1irg n ARG 56 Cb 0.76 -1.50 0.78 0.00 0.00 0.00 0.00 32.46 32.50 1irg n ARG 56 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1irg n ASN 57 N -1.46 0.00 0.00 6.15 5.15 -0.24 -4.14 115.26 120.72 1irg n ASN 57 Ca 0.05 -0.85 0.00 0.00 -0.60 0.00 0.00 54.58 53.18 1irg n ASN 57 Cb 0.18 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.43 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 -0.99 0.00 -0.17 1.20 5.03 -0.48 -0.87 117.44 121.15 1irg n TRP 58 Ca 0.20 0.00 0.26 0.00 3.03 0.00 0.00 57.50 60.99 1irg n TRP 58 Cb 0.09 0.00 0.43 0.00 -1.03 0.00 0.00 31.31 30.80 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 -2.00 2.89 0.00 6.99 0.00 -1.81 0.12 119.26 125.45 1irg h ALA 59 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1irg h ALA 59 Cb 0.00 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1irg h ALA 59 CO 0.00 -1.67 -0.91 0.82 0.00 0.00 0.00 179.25 177.49 1irg h ILE 60 N 0.00 0.96 0.14 0.00 1.08 -1.72 -2.83 117.51 115.14 1irg h ILE 60 Ca 0.46 -2.06 -0.01 0.00 -0.39 0.00 0.00 64.86 62.86 1irg h ILE 60 Cb 2.81 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 38.71 1irg h ILE 60 CO -0.00 0.33 -0.07 -0.74 -0.69 0.00 0.00 178.15 176.98 1irg h HIS 61 N -1.00 -0.17 -1.57 1.37 2.76 0.10 -3.27 115.15 113.37 1irg h HIS 61 Ca -0.24 -0.00 0.48 0.00 -2.20 0.00 0.00 60.37 58.41 1irg h HIS 61 Cb 1.13 0.06 -0.10 0.00 1.55 0.00 0.00 27.41 30.04 1irg h HIS 61 CO 0.10 -0.11 1.08 1.79 -1.30 0.00 0.00 177.93 179.49 1irg h THR 62 N -0.89 0.09 -0.12 6.26 1.35 -0.95 -3.44 112.91 115.21 1irg h THR 62 Ca -0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1irg h THR 62 Cb 0.14 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 1irg h THR 62 CO 0.03 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 175.92 1irg n GLY 63 N -1.70 1.02 1.21 5.82 0.00 -1.24 -4.97 105.19 105.33 1irg n GLY 63 Ca 0.39 -0.50 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.86 2.06 0.00 1.61 4.76 -1.20 -5.01 118.16 119.52 1irg n LYS 64 Ca 0.00 -3.11 0.00 0.00 -2.87 0.00 0.00 58.31 52.33 1irg n LYS 64 Cb 0.30 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.63 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 -1.02 0.00 -3.74 2.13 -0.00 -1.07 -4.90 115.22 106.61 1irg n HIS 65 Ca 0.33 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.92 1irg n HIS 65 Cb 1.07 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.96 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 0.50 -0.40 1.57 -0.21 -1.26 -4.45 119.66 113.41 1irg s GLN 66 Ca 0.00 0.37 -0.29 0.00 0.02 0.00 0.00 55.36 55.46 1irg s GLN 66 Cb 0.00 0.24 0.02 0.00 1.00 0.00 0.00 33.01 34.26 1irg s GLN 66 CO 0.00 -0.09 1.25 -1.25 -2.12 0.00 0.00 175.29 173.08 1irg s PRO 67 N -0.14 3.76 0.00 2.91 0.04 -1.26 -2.76 135.00 137.55 1irg s PRO 67 Ca -0.03 0.89 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1irg s PRO 67 Cb -0.03 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.59 1irg s PRO 67 CO 0.01 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.14 1irg n GLY 68 N 4.68 1.06 1.21 0.56 0.00 -1.26 -4.95 105.19 106.49 1irg n GLY 68 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1irg n GLY 68 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1irg n ILE 69 N -1.81 0.51 -4.22 -0.61 2.08 -1.11 -5.13 119.36 109.07 1irg n ILE 69 Ca 0.00 0.17 -0.18 0.00 0.56 0.00 0.00 62.75 63.29 1irg n ILE 69 Cb 0.00 -1.35 -0.06 0.00 -0.75 0.00 0.00 39.64 37.48 1irg n ILE 69 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1irg n ASP 70 N -3.20 -0.94 -4.75 4.38 -0.08 -1.21 -5.04 116.55 105.70 1irg n ASP 70 Ca 0.00 -3.15 -0.33 0.00 -1.51 0.00 0.00 54.79 49.80 1irg n ASP 70 Cb 0.20 2.00 0.07 0.00 2.34 0.00 0.00 41.12 45.73 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 -3.21 2.48 0.00 -0.67 -2.85 -1.26 -4.76 119.74 109.48 1irg s LYS 71 Ca 0.37 1.51 0.00 0.00 -1.00 0.00 0.00 55.97 56.85 1irg s LYS 71 Cb 0.01 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.88 1irg s LYS 71 CO 0.27 -1.52 0.08 -0.35 0.10 0.00 0.00 175.35 173.93 1irg n PRO 72 N -2.65 0.00 -2.10 1.78 -0.04 -1.26 -4.83 135.00 125.90 1irg n PRO 72 Ca 0.11 0.30 -0.03 0.00 -0.04 0.00 0.00 63.50 63.84 1irg n PRO 72 Cb 0.51 -0.85 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 1irg n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1irg n ASP 73 N -1.39 -4.64 0.02 3.54 2.03 -1.26 -4.91 116.55 109.94 1irg n ASP 73 Ca 0.00 0.23 0.12 0.00 0.52 0.00 0.00 54.79 55.66 1irg n ASP 73 Cb 0.00 -2.95 0.51 0.00 -0.72 0.00 0.00 41.12 37.96 1irg n ASP 73 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1irg n PRO 74 N -0.46 0.04 -0.04 -0.67 -0.04 -1.26 -3.37 135.00 129.21 1irg n PRO 74 Ca 0.05 0.11 0.04 0.00 -0.04 0.00 0.00 63.50 63.66 1irg n PRO 74 Cb 0.22 -1.56 0.41 0.00 -0.04 0.00 0.00 33.50 32.53 1irg n PRO 74 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1irg h LYS 75 N 0.00 0.58 0.00 0.54 1.57 -2.02 -1.15 116.57 116.09 1irg h LYS 75 Ca 0.00 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 1irg h LYS 75 Cb 0.46 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 1irg h LYS 75 CO 0.00 0.38 -1.09 1.15 -0.57 0.00 0.00 179.45 179.32 1irg h THR 76 N 0.60 0.90 -0.10 -0.16 2.02 -1.93 -3.33 112.91 110.91 1irg h THR 76 Ca 0.18 -2.45 -0.00 0.00 0.77 0.00 0.00 66.41 64.91 1irg h THR 76 Cb -0.00 2.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 1irg h THR 76 CO -0.04 0.51 0.05 -0.50 0.37 0.00 0.00 175.52 175.91 1irg h TRP 77 N 0.00 0.14 -0.87 3.16 6.55 -1.35 -0.84 115.95 122.74 1irg h TRP 77 Ca -0.10 -0.01 0.10 0.00 0.95 0.00 0.00 58.89 59.83 1irg h TRP 77 Cb 1.62 -0.04 -0.06 0.00 -0.86 0.00 0.00 29.16 29.81 1irg h TRP 77 CO 0.00 0.19 0.56 0.87 -1.05 0.00 0.00 178.44 179.01 1irg h LYS 78 N 0.05 0.82 0.00 0.49 1.57 -1.53 0.14 116.57 118.11 1irg h LYS 78 Ca 0.03 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1irg h LYS 78 Cb 0.10 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1irg h LYS 78 CO -0.00 0.54 -0.27 0.00 -0.57 0.00 0.00 179.45 179.15 1irg h ALA 79 N 1.57 0.92 0.00 3.86 0.00 -1.56 -2.83 119.26 121.22 1irg h ALA 79 Ca 0.40 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1irg h ALA 79 Cb 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1irg h ALA 79 CO -0.17 0.34 -0.03 -0.91 0.00 0.00 0.00 179.25 178.48 1irg h ASN 80 N 0.00 0.00 0.24 0.00 -0.26 0.73 -2.76 115.58 113.54 1irg h ASN 80 Ca -0.00 0.00 -0.34 0.00 -0.56 0.00 0.00 56.30 55.39 1irg h ASN 80 Cb 0.94 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.18 1irg h ASN 80 CO 0.04 0.03 -1.88 0.15 -1.06 0.00 0.00 177.43 174.71 1irg h PHE 81 N 0.00 0.38 -0.20 1.19 3.04 -1.36 -3.31 116.94 116.69 1irg h PHE 81 Ca -0.00 -0.28 0.06 0.00 3.98 0.00 0.00 57.97 61.73 1irg h PHE 81 Cb 0.36 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1irg h PHE 81 CO 0.00 1.56 0.23 -0.09 -2.02 0.00 0.00 178.31 177.99 1irg h ARG 82 N 0.06 0.00 0.15 1.11 9.65 -1.43 -0.11 114.38 123.81 1irg h ARG 82 Ca -0.37 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.21 1irg h ARG 82 Cb 2.03 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 30.63 1irg h ARG 82 CO 0.10 0.00 -1.28 0.00 2.80 0.00 0.00 179.97 181.58 1irg h ALA 84 N 0.40 1.79 0.03 0.00 0.00 -1.10 0.59 119.26 120.98 1irg h ALA 84 Ca -0.18 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.41 1irg h ALA 84 Cb 1.98 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.74 1irg h ALA 84 CO 0.23 -0.59 -1.80 -1.33 0.00 0.00 0.00 179.25 175.75 1irg n MET 85 N -3.20 0.67 0.00 0.00 2.00 -1.19 -3.55 117.12 111.84 1irg n MET 85 Ca 0.03 0.28 0.10 0.00 0.00 0.00 0.00 57.70 58.12 1irg n MET 85 Cb 0.59 -1.77 0.62 0.00 0.00 0.00 0.00 33.22 32.66 1irg n MET 85 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 1irg n ASN 86 N -3.15 0.00 -1.59 7.83 5.15 0.19 -4.77 115.26 118.91 1irg n ASN 86 Ca -0.21 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.60 1irg n ASN 86 Cb 1.05 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.30 1irg n ASN 86 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1irg n SER 87 N -0.86 0.50 -1.78 1.20 3.41 -0.15 -4.89 113.62 111.05 1irg n SER 87 Ca 0.16 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1irg n SER 87 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1irg n SER 87 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1irg n LEU 88 N 0.00 -2.65 0.00 1.04 4.32 -1.26 -4.66 117.00 113.79 1irg n LEU 88 Ca 0.00 0.53 0.03 0.00 -0.02 0.00 0.00 56.01 56.56 1irg n LEU 88 Cb 0.00 -0.88 0.18 0.00 -1.62 0.00 0.00 43.42 41.10 1irg n LEU 88 CO 0.00 -1.58 0.42 -0.81 -1.22 0.00 0.00 177.39 174.20 1irg n PRO 89 N 1.84 0.50 -0.25 3.23 -0.04 -1.26 -2.24 135.00 136.78 1irg n PRO 89 Ca 0.00 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.56 1irg n PRO 89 Cb 0.01 -1.19 0.23 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.69 3.43 -4.85 3.54 9.92 -1.26 -4.94 116.55 121.70 1irg n ASP 90 Ca 0.05 -1.96 -0.38 0.00 -0.53 0.00 0.00 54.79 51.97 1irg n ASP 90 Cb 0.02 -0.33 -0.06 0.00 -0.64 0.00 0.00 41.12 40.11 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 -1.12 5.10 -0.43 0.53 -4.36 -0.95 -0.65 121.20 119.32 1irg s ILE 91 Ca 0.37 0.71 0.03 0.00 -0.26 0.00 0.00 60.65 61.50 1irg s ILE 91 Cb 0.20 -3.66 0.12 0.00 1.25 0.00 0.00 42.46 40.37 1irg s ILE 91 CO 0.27 0.55 0.19 -1.61 0.24 0.00 0.00 174.94 174.58 1irg s GLU 92 N -1.16 1.50 -0.26 0.37 8.01 0.15 -4.77 118.70 122.53 1irg s GLU 92 Ca 0.23 -2.07 -0.29 0.00 0.01 0.00 0.00 54.97 52.85 1irg s GLU 92 Cb -0.16 -2.82 -0.02 0.00 -4.31 0.00 0.00 34.13 26.81 1irg s GLU 92 CO 0.13 -1.07 1.71 -1.83 0.01 0.00 0.00 175.26 174.20 1irg s GLU 93 N 0.41 3.60 -0.22 1.61 -1.05 -1.26 -0.99 118.70 120.80 1irg s GLU 93 Ca 0.15 1.59 -0.04 0.00 -0.15 0.00 0.00 54.97 56.52 1irg s GLU 93 Cb -0.23 -4.11 0.11 0.00 -0.44 0.00 0.00 34.13 29.46 1irg s GLU 93 CO -0.05 -1.53 0.33 0.08 0.95 0.00 0.00 175.26 175.03 1irg s VAL 94 N 5.93 -0.51 -0.81 1.83 1.01 -0.15 -4.88 120.40 122.81 1irg s VAL 94 Ca 0.76 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1irg s VAL 94 Cb -0.24 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1irg s VAL 94 CO 0.32 -0.11 0.46 2.29 0.00 0.00 0.00 175.10 178.05 1irg n LYS 95 N 5.35 0.78 -1.89 2.72 2.85 -1.24 -0.25 118.16 126.48 1irg n LYS 95 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1irg n LYS 95 Cb 0.50 -1.34 0.00 0.00 -0.65 0.00 0.00 35.03 33.54 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 0.21 -7.76 0.03 -5.58 8.00 -1.26 -4.21 116.55 105.98 1irg n ASP 96 Ca 0.00 1.26 -0.22 0.00 0.71 0.00 0.00 54.79 56.54 1irg n ASP 96 Cb 0.23 -4.29 -0.14 0.00 -0.02 0.00 0.00 41.12 36.90 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 3.42 0.30 -0.76 -1.24 9.65 -1.92 -3.24 114.38 120.59 1irg h ARG 97 Ca 0.00 -0.51 -0.53 0.00 -1.10 0.00 0.00 59.98 57.84 1irg h ARG 97 Cb 0.00 0.19 -0.33 0.00 -1.39 0.00 0.00 29.97 28.44 1irg h ARG 97 CO 0.00 1.25 -0.16 0.43 2.80 0.00 0.00 179.97 184.29 1irg n SER 98 N -3.69 5.38 0.00 -3.80 7.64 -1.26 -4.57 113.62 113.31 1irg n SER 98 Ca -0.27 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 55.84 1irg n SER 98 Cb 1.00 -0.59 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.85 0.00 -2.71 0.44 -0.00 -1.26 -4.97 119.36 110.01 1irg n ILE 99 Ca 0.48 0.00 -0.43 0.00 -0.00 0.00 0.00 62.75 62.80 1irg n ILE 99 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.53 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 -1.39 3.26 -3.22 0.38 4.81 -1.22 -4.77 118.16 116.01 1irg n LYS 100 Ca 0.00 -3.49 -0.24 0.00 -0.87 0.00 0.00 58.31 53.71 1irg n LYS 100 Cb 0.00 -3.32 -0.07 0.00 0.02 0.00 0.00 35.03 31.67 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 7.27 1.06 0.00 1.64 5.02 -1.26 -4.86 118.16 127.02 1irg n LYS 101 Ca 0.44 -3.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 1irg n LYS 101 Cb 0.45 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 1.20 0.53 0.00 0.72 0.00 -1.26 -5.12 105.19 101.26 1irg n GLY 102 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 0.00 1.61 4.13 -1.26 -5.05 115.26 114.69 1irg n ASN 103 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1irg n ASN 103 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1irg n ASN 103 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1irg n ASN 104 N 0.00 0.35 -2.66 6.41 2.85 -1.26 -5.09 115.26 115.86 1irg n ASN 104 Ca 0.00 -1.05 -0.03 0.00 -0.11 0.00 0.00 54.58 53.39 1irg n ASN 104 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 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 -0.02 -3.60 -2.35 5.20 0.00 -1.26 -4.95 120.51 113.53 1irg n ALA 105 Ca 0.00 1.56 -0.18 0.00 0.00 0.00 0.00 53.44 54.81 1irg n ALA 105 Cb 0.21 -3.06 -0.10 0.00 0.00 0.00 0.00 19.45 16.51 1irg n ALA 105 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1irg s PHE 106 N -1.11 1.62 -0.44 0.00 -0.12 -1.26 -4.81 117.98 111.86 1irg s PHE 106 Ca -0.16 -1.20 -0.13 0.00 -0.05 0.00 0.00 56.93 55.39 1irg s PHE 106 Cb 0.01 -0.95 0.06 0.00 -0.63 0.00 0.00 43.02 41.51 1irg s PHE 106 CO 0.79 -0.34 0.32 1.03 -0.05 0.00 0.00 175.22 176.97 1irg s ARG 107 N -3.95 2.85 -0.75 1.99 0.52 -0.03 -3.67 118.95 115.90 1irg s ARG 107 Ca 0.36 -1.31 -0.27 0.00 -0.52 0.00 0.00 55.73 54.00 1irg s ARG 107 Cb 0.07 -3.96 0.03 0.00 0.52 0.00 0.00 34.95 31.61 1irg s ARG 107 CO 0.15 -0.93 1.33 0.08 0.02 0.00 0.00 175.30 175.94 1irg s VAL 108 N 1.57 3.71 -0.05 3.52 1.01 0.66 -1.76 120.40 129.06 1irg s VAL 108 Ca 0.04 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1irg s VAL 108 Cb -0.23 -4.87 -0.03 0.00 0.00 0.00 0.00 36.38 31.25 1irg s VAL 108 CO 0.06 -1.81 0.84 -0.31 0.00 0.00 0.00 175.10 173.87 1irg s TYR 109 N 5.89 3.60 -0.29 5.22 1.51 0.28 -0.98 117.35 132.57 1irg s TYR 109 Ca 0.38 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 57.78 1irg s TYR 109 Cb -0.08 -2.97 -0.04 0.00 -0.11 0.00 0.00 41.96 38.77 1irg s TYR 109 CO 0.13 0.01 0.18 1.03 -1.11 0.00 0.00 175.55 175.79 1irg s ARG 110 N 1.05 3.77 -1.06 -0.62 0.52 -0.16 -1.37 118.95 121.08 1irg s ARG 110 Ca 0.44 -0.43 -0.10 0.00 -0.52 0.00 0.00 55.73 55.12 1irg s ARG 110 Cb -0.19 -3.63 0.27 0.00 0.52 0.00 0.00 34.95 31.92 1irg s ARG 110 CO 0.22 -0.25 1.04 -1.64 0.02 0.00 0.00 175.30 174.69 1irg s MET 111 N 1.72 4.08 0.30 3.54 -1.94 -0.18 0.31 119.30 127.13 1irg s MET 111 Ca 0.07 -3.08 -0.26 0.00 -1.71 0.00 0.00 55.69 50.70 1irg s MET 111 Cb -0.16 -4.52 -0.15 0.00 2.01 0.00 0.00 34.83 32.01 1irg s MET 111 CO 0.09 -1.25 0.71 1.28 -0.01 0.00 0.00 175.02 175.85 1irg n LEU 112 N 2.94 0.27 0.00 -0.03 4.77 0.17 -4.57 117.00 120.55 1irg n LEU 112 Ca 0.22 1.08 0.14 0.00 -0.03 0.00 0.00 56.01 57.42 1irg n LEU 112 Cb 0.41 -1.13 0.85 0.00 -2.33 0.00 0.00 43.42 41.22 1irg n LEU 112 CO 0.44 -2.36 1.02 -0.81 -1.33 0.00 0.00 177.39 174.35