#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijg s MET 2 N 0.00 0.31 -0.11 -0.52 1.75 0.03 -1.09 119.30 119.68 3ijg s MET 2 Ca 0.00 0.12 0.02 0.00 -1.25 0.00 0.00 55.69 54.58 3ijg s MET 2 Cb 0.00 -0.58 0.01 0.00 2.84 0.00 0.00 34.83 37.10 3ijg s MET 2 CO 0.00 -0.19 -0.17 0.12 -0.65 0.00 0.00 175.02 174.12 3ijg s PHE 3 N 1.36 2.12 -0.04 4.11 5.36 -0.01 -0.77 117.98 130.10 3ijg s PHE 3 Ca -0.05 -0.97 0.05 0.00 -0.96 0.00 0.00 56.93 55.00 3ijg s PHE 3 Cb -0.13 -1.49 -0.01 0.00 -0.34 0.00 0.00 43.02 41.05 3ijg s PHE 3 CO -0.02 -0.47 -0.20 0.42 -1.46 0.00 0.00 175.22 173.48 3ijg s ILE 4 N 0.82 1.67 -0.12 3.12 1.09 -0.37 -0.71 121.20 126.70 3ijg s ILE 4 Ca -0.09 -0.87 0.01 0.00 -1.10 0.00 0.00 60.65 58.60 3ijg s ILE 4 Cb -0.16 -1.42 0.02 0.00 -1.06 0.00 0.00 42.46 39.85 3ijg s ILE 4 CO 0.01 0.47 -0.14 -0.69 -0.10 0.00 0.00 174.94 174.49 3ijg s VAL 5 N -0.15 1.44 -0.18 2.92 1.01 0.27 -1.45 120.40 124.25 3ijg s VAL 5 Ca -0.01 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.35 3ijg s VAL 5 Cb -0.11 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3ijg s VAL 5 CO 0.02 0.43 -0.04 0.20 0.00 0.00 0.00 175.10 175.71 3ijg s ASN 6 N 1.23 4.57 0.05 3.32 0.01 -0.26 0.15 114.94 124.01 3ijg s ASN 6 Ca -0.02 -0.25 -0.09 0.00 -0.71 0.00 0.00 52.86 51.80 3ijg s ASN 6 Cb -0.14 -1.76 0.00 0.00 0.41 0.00 0.00 41.25 39.76 3ijg s ASN 6 CO -0.05 0.09 0.18 0.28 -1.51 0.00 0.00 177.10 176.08 3ijg s THR 7 N 0.85 0.12 -1.99 1.60 -1.32 -0.14 -0.92 115.64 113.84 3ijg s THR 7 Ca -0.01 -0.99 0.28 0.00 -1.21 0.00 0.00 61.69 59.76 3ijg s THR 7 Cb -0.15 -1.01 0.45 0.00 -1.51 0.00 0.00 72.50 70.28 3ijg s THR 7 CO 0.01 -0.55 1.74 -0.46 -2.21 0.00 0.00 174.62 173.15 3ijg n ASN 8 N 0.52 0.99 -4.75 8.08 6.94 -1.24 -1.21 115.26 124.60 3ijg n ASN 8 Ca -0.18 -1.02 -0.41 0.00 -0.02 0.00 0.00 54.58 52.94 3ijg n ASN 8 Cb 0.60 0.03 -0.02 0.00 -2.36 0.00 0.00 39.78 38.03 3ijg n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ijg s VAL 9 N -2.30 2.81 0.59 3.53 1.01 -1.26 -4.16 120.40 120.62 3ijg s VAL 9 Ca 0.31 0.69 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 3ijg s VAL 9 Cb 0.20 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3ijg s VAL 9 CO 0.44 0.11 1.21 -2.16 0.00 0.00 0.00 175.10 174.70 3ijg s PRO 10 N -0.46 2.98 0.33 2.72 0.04 -1.26 -0.95 135.00 138.39 3ijg s PRO 10 Ca 0.57 1.83 0.08 0.00 0.04 0.00 0.00 61.00 63.52 3ijg s PRO 10 Cb -0.40 -1.94 0.78 0.00 0.04 0.00 0.00 34.50 32.98 3ijg s PRO 10 CO 0.43 -1.20 1.81 -0.09 0.04 0.00 0.00 177.00 177.99 3ijg h ARG 11 N 0.91 0.71 0.00 4.56 9.65 -1.93 0.94 114.38 129.21 3ijg h ARG 11 Ca -0.50 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.33 3ijg h ARG 11 Cb 1.30 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 3ijg h ARG 11 CO 0.55 0.47 0.00 0.00 2.80 0.00 0.00 179.97 183.79 3ijg h ALA 12 N 1.61 1.00 -0.01 2.80 0.00 -2.03 -1.60 119.26 121.04 3ijg h ALA 12 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3ijg h ALA 12 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ijg h ALA 12 CO -0.31 0.00 -0.22 0.43 0.00 0.00 0.00 179.25 179.15 3ijg n SER 13 N -2.79 1.03 -4.55 0.00 7.64 0.32 -4.71 113.62 110.56 3ijg n SER 13 Ca -0.01 -0.92 -0.43 0.00 1.01 0.00 0.00 58.87 58.52 3ijg n SER 13 Cb 0.17 0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 3ijg n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ijg s VAL 14 N -2.45 4.65 0.72 0.44 1.01 -0.60 -4.72 120.40 119.45 3ijg s VAL 14 Ca 0.26 0.49 -0.14 0.00 0.00 0.00 0.00 61.98 62.59 3ijg s VAL 14 Cb 0.19 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 32.30 3ijg s VAL 14 CO 0.50 -0.69 1.13 -2.16 0.00 0.00 0.00 175.10 173.88 3ijg s PRO 15 N 3.28 2.38 0.48 2.72 0.04 -1.26 -4.97 135.00 137.67 3ijg s PRO 15 Ca 0.30 1.45 -0.23 0.00 0.04 0.00 0.00 61.00 62.55 3ijg s PRO 15 Cb -0.12 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 3ijg s PRO 15 CO 0.22 -1.58 1.26 -0.25 0.04 0.00 0.00 177.00 176.69 3ijg n ASP 16 N -2.86 2.37 0.00 6.66 8.00 -1.26 -2.52 116.55 126.94 3ijg n ASP 16 Ca 0.11 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.64 3ijg n ASP 16 Cb 0.52 -1.51 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3ijg n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ijg n GLY 17 N 0.85 0.63 0.05 0.44 0.00 -1.26 -4.95 105.19 100.95 3ijg n GLY 17 Ca 0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 3ijg n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ijg h PHE 18 N 0.00 0.02 -0.77 1.61 3.57 -1.87 0.05 116.94 119.55 3ijg h PHE 18 Ca 0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3ijg h PHE 18 Cb 0.02 -0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3ijg h PHE 18 CO 0.01 0.22 0.41 -0.07 -2.23 0.00 0.00 178.31 176.65 3ijg h LEU 19 N -0.19 0.96 -0.51 0.59 3.38 -1.92 -1.45 115.31 116.18 3ijg h LEU 19 Ca 0.00 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3ijg h LEU 19 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3ijg h LEU 19 CO -0.00 0.79 -0.01 -1.28 0.09 0.00 0.00 178.44 178.03 3ijg h SER 20 N 1.08 0.88 -0.51 -0.43 0.87 -1.93 -1.10 113.55 112.41 3ijg h SER 20 Ca 0.27 -0.31 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 3ijg h SER 20 Cb 0.05 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 3ijg h SER 20 CO -0.04 0.98 0.18 -0.08 -0.53 0.00 0.00 176.83 177.33 3ijg h GLU 21 N 0.76 0.77 -0.55 2.24 4.81 -0.63 -1.36 114.58 120.63 3ijg h GLU 21 Ca 0.14 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3ijg h GLU 21 Cb 0.53 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3ijg h GLU 21 CO 0.03 0.70 0.29 -0.07 -0.73 0.00 0.00 179.01 179.23 3ijg h LEU 22 N 0.68 0.70 0.09 1.64 3.38 -1.15 -0.56 115.31 120.10 3ijg h LEU 22 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ijg h LEU 22 Cb 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3ijg h LEU 22 CO -0.01 0.61 -0.09 0.74 0.09 0.00 0.00 178.44 179.78 3ijg h THR 23 N 0.74 0.79 0.02 0.22 2.02 -0.94 -0.33 112.91 115.43 3ijg h THR 23 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3ijg h THR 23 Cb 0.07 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3ijg h THR 23 CO -0.03 0.00 -0.01 1.56 0.37 0.00 0.00 175.52 177.41 3ijg h GLN 24 N -0.21 -0.03 -0.41 6.66 7.50 -1.12 -1.62 115.11 125.90 3ijg h GLN 24 Ca 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 58.65 59.10 3ijg h GLN 24 Cb 0.20 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.72 3ijg h GLN 24 CO -0.03 0.10 0.02 1.96 -1.50 0.00 0.00 178.83 179.38 3ijg h GLN 25 N -0.15 0.64 -0.02 1.46 1.08 -1.07 -2.11 115.11 114.94 3ijg h GLN 25 Ca -0.00 -0.14 -0.16 0.00 -1.45 0.00 0.00 58.65 56.89 3ijg h GLN 25 Cb 0.14 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 3ijg h GLN 25 CO 0.00 0.65 -0.71 -0.07 -0.95 0.00 0.00 178.83 177.75 3ijg h LEU 26 N 0.61 0.16 -0.49 1.46 3.38 -0.98 -0.40 115.31 119.07 3ijg h LEU 26 Ca 0.13 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3ijg h LEU 26 Cb 0.35 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3ijg h LEU 26 CO 0.01 0.82 0.09 0.00 0.09 0.00 0.00 178.44 179.46 3ijg h ALA 27 N 1.17 0.65 -0.29 1.53 0.00 -0.91 0.33 119.26 121.74 3ijg h ALA 27 Ca -0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 3ijg h ALA 27 Cb 1.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3ijg h ALA 27 CO 0.10 0.37 -0.01 0.37 0.00 0.00 0.00 179.25 180.08 3ijg h GLN 28 N 0.68 0.52 -0.23 0.00 5.75 -1.28 -0.80 115.11 119.75 3ijg h GLN 28 Ca 0.15 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 3ijg h GLN 28 Cb 0.37 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 3ijg h GLN 28 CO 0.01 0.68 0.04 0.00 -2.65 0.00 0.00 178.83 176.91 3ijg h ALA 29 N 0.82 0.30 0.00 3.38 0.00 -0.91 -3.16 119.26 119.70 3ijg h ALA 29 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3ijg h ALA 29 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ijg h ALA 29 CO 0.02 -0.03 -0.12 1.79 0.00 0.00 0.00 179.25 180.91 3ijg h THR 30 N 0.18 0.00 -0.05 0.00 1.35 -0.99 -3.47 112.91 109.93 3ijg h THR 30 Ca 0.07 -0.66 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 3ijg h THR 30 Cb 0.31 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 3ijg h THR 30 CO 0.00 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 175.86 3ijg n GLY 31 N 1.24 0.49 3.92 5.82 0.00 -0.32 -4.93 105.19 111.41 3ijg n GLY 31 Ca 0.05 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 3ijg n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijg s LYS 32 N -0.95 3.44 0.32 1.61 -0.14 -1.09 -5.03 119.74 117.90 3ijg s LYS 32 Ca 0.00 -0.46 -0.29 0.00 -1.36 0.00 0.00 55.97 53.86 3ijg s LYS 32 Cb 0.00 -3.03 -0.11 0.00 -1.68 0.00 0.00 37.83 33.01 3ijg s LYS 32 CO 0.00 0.60 1.54 -2.14 -0.76 0.00 0.00 175.35 174.59 3ijg s PRO 33 N -2.59 4.13 0.58 -1.68 0.02 -1.26 -4.55 135.00 129.65 3ijg s PRO 33 Ca 0.35 2.56 0.28 0.00 0.02 0.00 0.00 61.00 64.21 3ijg s PRO 33 Cb -0.13 -3.01 1.65 0.00 0.02 0.00 0.00 34.50 33.04 3ijg s PRO 33 CO 0.28 -0.58 2.12 -1.00 -0.33 0.00 0.00 177.00 177.49 3ijg h PRO 34 N 4.13 0.00 0.00 5.54 0.13 -1.90 -0.17 132.00 139.73 3ijg h PRO 34 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ijg h PRO 34 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3ijg h PRO 34 CO 0.73 0.00 -0.02 1.96 -0.23 0.00 0.00 178.00 180.44 3ijg h GLN 35 N 0.00 0.00 -0.08 0.86 7.50 -1.97 -1.76 115.11 119.65 3ijg h GLN 35 Ca 0.08 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.23 3ijg h GLN 35 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.96 3ijg h GLN 35 CO -0.00 0.02 0.00 0.66 -1.50 0.00 0.00 178.83 178.01 3ijg n TYR 36 N -3.52 0.07 -3.32 2.96 4.01 -0.08 -4.92 117.16 112.37 3ijg n TYR 36 Ca -0.03 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.90 57.29 3ijg n TYR 36 Cb 0.12 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.08 3ijg n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3ijg s ILE 37 N -1.93 5.15 -0.07 -0.72 -1.09 -0.67 -1.46 121.20 120.42 3ijg s ILE 37 Ca 0.31 0.80 0.03 0.00 -2.23 0.00 0.00 60.65 59.56 3ijg s ILE 37 Cb 0.20 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 3ijg s ILE 37 CO 0.31 0.20 -0.14 0.00 -1.23 0.00 0.00 174.94 174.07 3ijg s ALA 38 N 1.61 2.63 0.04 9.38 0.00 -0.25 -4.98 121.76 130.20 3ijg s ALA 38 Ca 0.21 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.25 3ijg s ALA 38 Cb -0.15 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 3ijg s ALA 38 CO 0.09 0.48 -0.14 0.08 0.00 0.00 0.00 175.76 176.27 3ijg s VAL 39 N -0.46 1.06 -0.09 0.00 1.01 -1.26 -0.83 120.40 119.83 3ijg s VAL 39 Ca 0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3ijg s VAL 39 Cb -0.12 -0.97 0.05 0.00 0.00 0.00 0.00 36.38 35.34 3ijg s VAL 39 CO 0.02 -0.01 0.18 -2.28 0.00 0.00 0.00 175.10 173.01 3ijg s HIS 40 N -0.85 -0.24 -0.13 5.22 5.04 0.11 -4.96 115.29 119.49 3ijg s HIS 40 Ca 0.01 0.66 0.02 0.00 -1.54 0.00 0.00 55.06 54.21 3ijg s HIS 40 Cb -0.08 -0.12 0.00 0.00 0.04 0.00 0.00 32.58 32.42 3ijg s HIS 40 CO 0.01 -0.25 -0.20 0.08 -2.34 0.00 0.00 174.74 172.04 3ijg s VAL 41 N 1.81 2.30 -0.42 0.89 1.01 -1.26 -0.56 120.40 124.17 3ijg s VAL 41 Ca -0.03 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3ijg s VAL 41 Cb -0.12 -1.92 0.12 0.00 0.00 0.00 0.00 36.38 34.46 3ijg s VAL 41 CO -0.07 0.54 0.16 -0.69 0.00 0.00 0.00 175.10 175.04 3ijg s VAL 42 N 0.57 2.20 0.88 2.92 1.01 0.12 -4.97 120.40 123.14 3ijg s VAL 42 Ca -0.12 -2.68 -0.10 0.00 0.00 0.00 0.00 61.98 59.08 3ijg s VAL 42 Cb -0.16 -2.58 0.18 0.00 0.00 0.00 0.00 36.38 33.82 3ijg s VAL 42 CO 0.04 -0.72 1.21 -2.16 0.00 0.00 0.00 175.10 173.47 3ijg s PRO 43 N 0.43 0.92 -1.48 2.72 0.04 -1.26 -0.97 135.00 135.40 3ijg s PRO 43 Ca 0.14 -0.78 -0.01 0.00 0.04 0.00 0.00 61.00 60.38 3ijg s PRO 43 Cb -0.22 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3ijg s PRO 43 CO -0.05 -2.11 0.09 -0.25 0.04 0.00 0.00 177.00 174.72 3ijg n ASP 44 N -3.43 -5.12 -4.85 6.66 8.00 -0.13 -4.83 116.55 112.85 3ijg n ASP 44 Ca 0.16 0.01 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 3ijg n ASP 44 Cb 0.60 -4.27 -0.04 0.00 -0.02 0.00 0.00 41.12 37.38 3ijg n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ijg s GLN 45 N -5.17 3.96 -0.69 -1.24 -1.52 -0.35 -4.94 119.66 109.71 3ijg s GLN 45 Ca 0.06 0.82 -0.20 0.00 -1.95 0.00 0.00 55.36 54.08 3ijg s GLN 45 Cb -0.03 -2.25 0.10 0.00 -0.22 0.00 0.00 33.01 30.61 3ijg s GLN 45 CO 0.07 -0.12 0.90 -1.17 -0.25 0.00 0.00 175.29 174.73 3ijg s LEU 46 N -3.72 4.90 0.16 2.90 2.96 -1.26 -4.20 118.68 120.42 3ijg s LEU 46 Ca 0.57 -1.38 -0.08 0.00 -0.22 0.00 0.00 54.13 53.02 3ijg s LEU 46 Cb -0.10 -2.37 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 3ijg s LEU 46 CO 0.26 -1.24 0.27 0.00 -1.32 0.00 0.00 176.35 174.32 3ijg s MET 47 N 3.26 1.13 0.02 1.98 0.23 -1.26 -5.08 119.30 119.57 3ijg s MET 47 Ca 0.20 -1.18 -0.02 0.00 -1.03 0.00 0.00 55.69 53.67 3ijg s MET 47 Cb -0.17 0.37 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 3ijg s MET 47 CO 0.05 -0.41 0.01 0.00 -2.03 0.00 0.00 175.02 172.64 3ijg s ALA 48 N -3.97 0.02 -0.10 3.16 0.00 -1.26 -4.56 121.76 115.05 3ijg s ALA 48 Ca 0.17 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.64 3ijg s ALA 48 Cb 0.04 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.33 3ijg s ALA 48 CO -0.00 -0.17 0.00 0.12 0.00 0.00 0.00 175.76 175.71 3ijg s PHE 49 N -1.41 0.79 -1.02 0.00 2.19 -0.24 -4.77 117.98 113.52 3ijg s PHE 49 Ca -0.15 -0.33 0.00 0.00 0.33 0.00 0.00 56.93 56.77 3ijg s PHE 49 Cb -0.09 -0.87 0.00 0.00 -1.31 0.00 0.00 43.02 40.74 3ijg s PHE 49 CO -0.00 -0.39 0.00 0.41 1.83 0.00 0.00 175.22 177.06 3ijg n GLY 50 N 5.12 1.11 1.07 13.12 0.00 -1.26 -2.76 105.19 121.59 3ijg n GLY 50 Ca -0.08 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3ijg n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijg n GLY 51 N -1.66 0.76 3.17 -0.02 0.00 -1.26 -5.06 105.19 101.11 3ijg n GLY 51 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 3ijg n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ijg s SER 52 N -2.39 1.55 -0.43 1.61 1.04 -1.11 -5.04 113.70 108.92 3ijg s SER 52 Ca 0.00 -0.68 0.05 0.00 0.48 0.00 0.00 55.95 55.80 3ijg s SER 52 Cb 0.00 -0.03 0.66 0.00 0.10 0.00 0.00 66.02 66.75 3ijg s SER 52 CO 0.00 -0.15 1.87 -1.20 0.98 0.00 0.00 173.24 174.74 3ijg n SER 53 N 1.04 3.69 -4.73 7.02 7.64 -1.26 -1.08 113.62 125.93 3ijg n SER 53 Ca -0.19 -3.61 -0.30 0.00 1.01 0.00 0.00 58.87 55.78 3ijg n SER 53 Cb 0.55 -0.82 0.13 0.00 -1.01 0.00 0.00 64.21 63.07 3ijg n SER 53 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3ijg s GLU 54 N -3.28 1.38 0.03 1.43 0.41 -1.26 -4.87 118.70 112.54 3ijg s GLU 54 Ca 0.56 0.76 -0.38 0.00 -0.41 0.00 0.00 54.97 55.50 3ijg s GLU 54 Cb 0.47 -1.83 -0.17 0.00 -1.78 0.00 0.00 34.13 30.82 3ijg s GLU 54 CO 0.10 -2.14 1.34 -2.30 -0.49 0.00 0.00 175.26 171.77 3ijg n PRO 55 N -3.81 0.96 -3.99 0.39 -0.02 -1.26 -4.81 135.00 122.46 3ijg n PRO 55 Ca 0.07 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.80 3ijg n PRO 55 Cb 0.56 -1.97 -0.04 0.00 -0.02 0.00 0.00 33.50 32.02 3ijg n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ijg s ALA 57 N -3.76 -0.92 -0.23 0.00 0.00 -0.57 -3.61 121.76 112.68 3ijg s ALA 57 Ca 0.23 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3ijg s ALA 57 Cb -0.01 -0.67 0.03 0.00 0.00 0.00 0.00 23.12 22.47 3ijg s ALA 57 CO 0.11 -0.19 -0.12 -0.51 0.00 0.00 0.00 175.76 175.05 3ijg s LEU 58 N 0.48 2.86 0.33 0.00 1.43 -0.10 -1.31 118.68 122.37 3ijg s LEU 58 Ca -0.02 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.26 3ijg s LEU 58 Cb -0.04 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.53 3ijg s LEU 58 CO -0.02 -0.09 0.01 0.00 0.23 0.00 0.00 176.35 176.47 3ijg s SER 60 N -3.52 -0.18 -0.16 0.00 1.04 -0.53 -0.73 113.70 109.62 3ijg s SER 60 Ca 0.34 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 3ijg s SER 60 Cb 0.07 0.38 0.04 0.00 0.10 0.00 0.00 66.02 66.62 3ijg s SER 60 CO 0.15 -0.13 -0.04 -0.22 0.98 0.00 0.00 173.24 173.98 3ijg s LEU 61 N -0.15 1.54 -0.11 2.42 2.96 -0.04 -1.24 118.68 124.07 3ijg s LEU 61 Ca -0.03 -0.66 -0.02 0.00 -0.22 0.00 0.00 54.13 53.20 3ijg s LEU 61 Cb -0.02 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 3ijg s LEU 61 CO 0.01 -0.20 -0.02 -1.00 -1.32 0.00 0.00 176.35 173.82 3ijg s HIS 62 N 1.67 3.08 -0.13 5.38 3.76 0.05 -1.13 115.29 127.96 3ijg s HIS 62 Ca 0.01 -0.00 -0.24 0.00 -0.15 0.00 0.00 55.06 54.67 3ijg s HIS 62 Cb -0.15 -1.85 0.06 0.00 1.11 0.00 0.00 32.58 31.75 3ijg s HIS 62 CO -0.08 0.26 0.60 0.45 -0.85 0.00 0.00 174.74 175.12 3ijg s SER 63 N -0.39 -0.58 -0.77 1.40 0.15 -0.62 -0.79 113.70 112.10 3ijg s SER 63 Ca 0.07 0.87 -0.23 0.00 0.70 0.00 0.00 55.95 57.36 3ijg s SER 63 Cb -0.12 0.84 0.07 0.00 -1.71 0.00 0.00 66.02 65.10 3ijg s SER 63 CO 0.02 -0.40 1.13 -0.63 1.20 0.00 0.00 173.24 174.56 3ijg s ILE 64 N -0.50 4.21 0.00 6.45 1.01 -1.26 -0.84 121.20 130.27 3ijg s ILE 64 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3ijg s ILE 64 Cb -0.03 -4.80 0.00 0.00 0.01 0.00 0.00 42.46 37.64 3ijg s ILE 64 CO 0.05 -1.62 0.00 0.61 0.00 0.00 0.00 174.94 173.98 3ijg n GLY 65 N 5.58 -2.50 2.32 6.18 0.00 -1.26 -4.95 105.19 110.56 3ijg n GLY 65 Ca 0.08 -1.61 -0.16 0.00 0.00 0.00 0.00 46.02 44.33 3ijg n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ijg n LYS 66 N -0.74 -1.24 -4.89 1.61 4.76 -1.26 -4.92 118.16 111.48 3ijg n LYS 66 Ca 0.00 0.81 -0.27 0.00 -2.87 0.00 0.00 58.31 55.97 3ijg n LYS 66 Cb 0.00 -5.16 -0.16 0.00 -1.84 0.00 0.00 35.03 27.87 3ijg n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ijg s ILE 67 N -2.76 1.54 0.00 -0.18 -1.09 -1.26 -4.86 121.20 112.59 3ijg s ILE 67 Ca 0.00 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.67 3ijg s ILE 67 Cb 0.00 -1.34 0.00 0.00 -1.58 0.00 0.00 42.46 39.54 3ijg s ILE 67 CO 0.00 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 3ijg n GLY 68 N 3.34 -0.17 0.38 6.18 0.00 -1.26 -4.98 105.19 108.69 3ijg n GLY 68 Ca -0.19 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 3ijg n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ijg h GLY 69 N 0.00 -1.17 1.00 -0.02 0.00 -2.00 0.23 103.07 101.12 3ijg h GLY 69 Ca 0.00 0.72 -0.13 0.00 0.00 0.00 0.00 47.33 47.93 3ijg h GLY 69 CO 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 176.54 176.00 3ijg h ALA 70 N -0.32 0.45 -0.66 3.60 0.00 -2.00 -2.85 119.26 117.49 3ijg h ALA 70 Ca 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ijg h ALA 70 Cb 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3ijg h ALA 70 CO -0.46 0.49 0.35 1.96 0.00 0.00 0.00 179.25 181.59 3ijg h GLN 71 N 0.51 0.92 -0.40 0.00 4.20 -1.90 -1.76 115.11 116.69 3ijg h GLN 71 Ca 0.05 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 3ijg h GLN 71 Cb 0.88 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 3ijg h GLN 71 CO 0.08 0.70 -0.01 -0.91 -0.67 0.00 0.00 178.83 178.02 3ijg h ASN 72 N 0.90 0.61 -0.59 1.46 2.35 -0.56 0.12 115.58 119.86 3ijg h ASN 72 Ca 0.23 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 3ijg h ASN 72 Cb 0.06 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3ijg h ASN 72 CO -0.04 0.68 0.09 0.03 -1.65 0.00 0.00 177.43 176.54 3ijg h ARG 73 N 0.61 0.99 -0.57 0.81 3.08 -1.22 -0.63 114.38 117.44 3ijg h ARG 73 Ca 0.12 -0.27 -0.08 0.00 0.07 0.00 0.00 59.98 59.82 3ijg h ARG 73 Cb 0.39 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 3ijg h ARG 73 CO 0.01 0.94 0.03 1.03 -1.07 0.00 0.00 179.97 180.91 3ijg h SER 74 N 0.89 0.97 -0.44 7.04 0.87 -0.64 -2.15 113.55 120.09 3ijg h SER 74 Ca 0.18 -0.29 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 3ijg h SER 74 Cb 0.43 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3ijg h SER 74 CO 0.01 1.03 0.00 1.88 -0.53 0.00 0.00 176.83 179.22 3ijg h TYR 75 N 0.89 0.91 -0.63 2.24 0.05 -0.55 -2.07 116.97 117.81 3ijg h TYR 75 Ca 0.17 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 3ijg h TYR 75 Cb 0.51 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 3ijg h TYR 75 CO 0.04 0.83 0.09 0.77 -1.05 0.00 0.00 178.16 178.83 3ijg h SER 76 N 0.79 0.99 -0.44 3.88 0.02 -0.87 0.15 113.55 118.08 3ijg h SER 76 Ca 0.15 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.80 3ijg h SER 76 Cb 0.47 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 3ijg h SER 76 CO 0.02 1.00 0.02 0.50 -1.14 0.00 0.00 176.83 177.23 3ijg h LYS 77 N 0.97 0.76 0.35 3.45 3.64 -1.17 0.27 116.57 124.84 3ijg h LYS 77 Ca 0.19 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3ijg h LYS 77 Cb 0.44 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3ijg h LYS 77 CO 0.01 0.82 -0.17 1.25 -2.27 0.00 0.00 179.45 179.10 3ijg h LEU 78 N 0.61 -0.39 -0.31 5.20 5.85 -1.09 -1.58 115.31 123.59 3ijg h LEU 78 Ca 0.13 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ijg h LEU 78 Cb 0.47 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3ijg h LEU 78 CO 0.02 -0.14 0.06 -0.07 -0.34 0.00 0.00 178.44 177.97 3ijg h LEU 79 N -0.64 0.49 -1.24 2.25 3.38 -0.70 -1.45 115.31 117.40 3ijg h LEU 79 Ca -0.05 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 3ijg h LEU 79 Cb 0.46 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3ijg h LEU 79 CO 0.08 0.61 0.19 0.00 0.09 0.00 0.00 178.44 179.41 3ijg h GLY 81 N 0.86 0.71 0.97 0.00 0.00 -0.87 -0.53 103.07 104.21 3ijg h GLY 81 Ca 0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3ijg h GLY 81 CO -0.01 0.29 -0.09 1.41 0.00 0.00 0.00 176.54 178.13 3ijg h LEU 82 N 0.65 0.76 -1.10 3.11 3.38 -0.68 -1.27 115.31 120.15 3ijg h LEU 82 Ca 0.17 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3ijg h LEU 82 Cb 0.00 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ijg h LEU 82 CO -0.03 0.95 -0.01 -0.07 0.09 0.00 0.00 178.44 179.36 3ijg h LEU 83 N 0.56 0.58 -0.11 1.67 3.38 -0.87 0.13 115.31 120.65 3ijg h LEU 83 Ca 0.10 -0.12 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3ijg h LEU 83 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3ijg h LEU 83 CO 0.04 0.66 -0.29 0.00 0.09 0.00 0.00 178.44 178.94 3ijg h ALA 84 N 1.41 0.18 0.06 1.53 0.00 -1.00 -0.94 119.26 120.50 3ijg h ALA 84 Ca 0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 3ijg h ALA 84 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3ijg h ALA 84 CO 0.02 0.20 -0.03 1.49 0.00 0.00 0.00 179.25 180.93 3ijg h GLU 85 N -0.04 -0.07 0.12 0.00 4.81 -1.03 -1.93 114.58 116.43 3ijg h GLU 85 Ca -0.01 0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 58.89 3ijg h GLU 85 Cb 0.90 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3ijg h GLU 85 CO 0.06 0.17 -1.76 0.00 -0.73 0.00 0.00 179.01 176.75 3ijg h ARG 86 N -0.32 0.26 -0.02 1.92 2.47 -0.87 -3.39 114.38 114.43 3ijg h ARG 86 Ca -0.01 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 3ijg h ARG 86 Cb 0.28 0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 3ijg h ARG 86 CO 0.01 1.11 -0.02 1.28 0.56 0.00 0.00 179.97 182.92 3ijg n LEU 87 N -3.44 2.16 -2.99 3.04 4.77 -0.42 -4.59 117.00 115.52 3ijg n LEU 87 Ca -0.24 -0.99 -0.22 0.00 -0.03 0.00 0.00 56.01 54.53 3ijg n LEU 87 Cb 1.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.17 3ijg n LEU 87 CO 0.47 0.39 -0.03 0.54 -1.33 0.00 0.00 177.39 177.44 3ijg n ARG 88 N 0.75 -4.47 -3.57 3.23 5.12 -0.73 -4.95 116.66 112.06 3ijg n ARG 88 Ca 0.08 0.88 -0.36 0.00 -1.93 0.00 0.00 57.85 56.51 3ijg n ARG 88 Cb 0.35 -5.71 -0.08 0.00 -1.16 0.00 0.00 32.46 25.87 3ijg n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ijg s ILE 89 N -3.14 5.32 0.22 0.55 1.01 -0.96 -4.95 121.20 119.25 3ijg s ILE 89 Ca 0.28 0.46 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 3ijg s ILE 89 Cb -0.13 -3.60 -0.10 0.00 0.01 0.00 0.00 42.46 38.64 3ijg s ILE 89 CO 0.35 0.37 1.48 -0.44 0.00 0.00 0.00 174.94 176.70 3ijg s SER 90 N 0.62 6.63 0.49 3.58 0.01 -1.26 -3.41 113.70 120.35 3ijg s SER 90 Ca 0.14 2.65 0.23 0.00 1.31 0.00 0.00 55.95 60.28 3ijg s SER 90 Cb -0.13 -2.61 1.28 0.00 0.21 0.00 0.00 66.02 64.77 3ijg s SER 90 CO 0.03 -0.75 1.95 -0.65 0.41 0.00 0.00 173.24 174.23 3ijg h PRO 91 N 5.60 0.16 -0.01 12.44 0.11 -1.97 0.40 132.00 148.73 3ijg h PRO 91 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ijg h PRO 91 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3ijg h PRO 91 CO 0.82 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 3ijg n ASP 92 N -4.40 0.05 -0.72 -2.05 5.68 -1.26 -2.76 116.55 111.09 3ijg n ASP 92 Ca 0.13 -1.84 0.06 0.00 -0.50 0.00 0.00 54.79 52.64 3ijg n ASP 92 Cb 0.64 -0.01 0.18 0.00 -1.14 0.00 0.00 41.12 40.79 3ijg n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ijg n ARG 93 N -0.55 1.31 -4.64 0.11 1.74 0.13 -5.01 116.66 109.76 3ijg n ARG 93 Ca 0.04 -3.06 -0.24 0.00 -0.77 0.00 0.00 57.85 53.82 3ijg n ARG 93 Cb 0.03 -1.35 -0.16 0.00 -1.02 0.00 0.00 32.46 29.95 3ijg n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ijg s VAL 94 N -2.69 1.17 -0.04 1.55 1.01 -1.11 -1.52 120.40 118.77 3ijg s VAL 94 Ca 0.37 -0.54 0.07 0.00 0.00 0.00 0.00 61.98 61.87 3ijg s VAL 94 Cb 0.37 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.70 3ijg s VAL 94 CO -0.08 0.35 -0.24 -0.31 0.00 0.00 0.00 175.10 174.82 3ijg s TYR 95 N 0.33 2.24 -0.16 5.22 2.02 -0.43 -4.99 117.35 121.58 3ijg s TYR 95 Ca -0.08 -0.54 -0.02 0.00 -0.37 0.00 0.00 57.07 56.06 3ijg s TYR 95 Cb -0.13 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 40.02 3ijg s TYR 95 CO 0.02 -0.12 0.00 0.42 -1.57 0.00 0.00 175.55 174.31 3ijg s ILE 96 N -0.36 0.68 -0.12 2.71 1.01 -1.26 -0.01 121.20 123.85 3ijg s ILE 96 Ca 0.03 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 60.03 3ijg s ILE 96 Cb -0.11 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 3ijg s ILE 96 CO 0.01 -0.01 0.57 0.20 0.00 0.00 0.00 174.94 175.71 3ijg s ASN 97 N 1.81 6.77 -0.13 3.58 0.02 0.09 -4.94 114.94 122.15 3ijg s ASN 97 Ca 0.01 0.92 -0.05 0.00 -1.02 0.00 0.00 52.86 52.72 3ijg s ASN 97 Cb -0.16 -2.34 -0.04 0.00 0.02 0.00 0.00 41.25 38.74 3ijg s ASN 97 CO -0.07 -0.09 0.06 -0.31 0.02 0.00 0.00 177.10 176.70 3ijg s TYR 98 N 0.96 3.30 -0.12 2.20 1.51 -1.26 -0.86 117.35 123.08 3ijg s TYR 98 Ca 0.30 0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.59 3ijg s TYR 98 Cb -0.16 -1.92 0.03 0.00 -0.11 0.00 0.00 41.96 39.80 3ijg s TYR 98 CO 0.13 0.44 -0.06 0.71 -1.11 0.00 0.00 175.55 175.66 3ijg s TYR 99 N -0.52 1.39 -0.53 2.71 1.51 -0.29 -4.97 117.35 116.65 3ijg s TYR 99 Ca 0.10 -0.71 -0.21 0.00 -1.01 0.00 0.00 57.07 55.25 3ijg s TYR 99 Cb -0.12 -1.18 0.06 0.00 -0.11 0.00 0.00 41.96 40.61 3ijg s TYR 99 CO 0.02 -0.50 0.73 0.34 -1.11 0.00 0.00 175.55 175.02 3ijg s ASP 100 N 1.74 6.25 0.13 2.29 -1.08 -1.26 -1.59 116.67 123.15 3ijg s ASP 100 Ca 0.04 -0.80 -0.19 0.00 -0.52 0.00 0.00 52.55 51.08 3ijg s ASP 100 Cb -0.13 -2.33 -0.07 0.00 -1.46 0.00 0.00 42.92 38.92 3ijg s ASP 100 CO -0.08 -1.01 0.62 -0.04 0.52 0.00 0.00 175.17 175.18 3ijg s MET 101 N 3.03 4.22 0.33 4.34 -1.94 -0.02 -4.89 119.30 124.37 3ijg s MET 101 Ca 0.19 0.78 -0.26 0.00 -1.71 0.00 0.00 55.69 54.69 3ijg s MET 101 Cb -0.18 -3.13 -0.09 0.00 2.01 0.00 0.00 34.83 33.44 3ijg s MET 101 CO 0.13 0.56 1.00 -0.80 -0.01 0.00 0.00 175.02 175.90 3ijg s ASN 102 N -1.32 7.17 0.39 3.03 0.01 -1.26 -4.17 114.94 118.80 3ijg s ASN 102 Ca 0.34 1.98 0.09 0.00 -0.71 0.00 0.00 52.86 54.56 3ijg s ASN 102 Cb -0.19 -2.59 0.86 0.00 0.41 0.00 0.00 41.25 39.74 3ijg s ASN 102 CO 0.20 -0.19 1.97 0.00 -1.51 0.00 0.00 177.10 177.57 3ijg h ALA 103 N 3.15 1.83 0.00 0.60 0.00 -1.95 -0.06 119.26 122.83 3ijg h ALA 103 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3ijg h ALA 103 Cb 1.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3ijg h ALA 103 CO 0.65 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3ijg h ALA 104 N 1.65 1.00 -0.59 0.00 0.00 -1.92 -2.70 119.26 116.70 3ijg h ALA 104 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ijg h ALA 104 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ijg h ALA 104 CO -0.10 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.24 3ijg n ASN 105 N -2.87 5.14 -3.90 0.00 3.02 -0.04 -4.80 115.26 111.81 3ijg n ASN 105 Ca -0.00 -2.67 -0.30 0.00 -0.03 0.00 0.00 54.58 51.58 3ijg n ASN 105 Cb 0.23 -0.63 -0.16 0.00 -0.61 0.00 0.00 39.78 38.61 3ijg n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ijg s VAL 106 N -2.29 1.35 0.31 2.41 1.01 -1.04 -4.90 120.40 117.26 3ijg s VAL 106 Ca 0.51 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 3ijg s VAL 106 Cb 0.36 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.97 3ijg s VAL 106 CO 0.20 -0.15 0.78 -0.83 0.00 0.00 0.00 175.10 175.09 3ijg s GLY 107 N 1.47 2.44 -0.29 4.51 0.00 -1.26 -2.14 107.32 112.05 3ijg s GLY 107 Ca -0.04 0.15 -0.23 0.00 0.00 0.00 0.00 44.72 44.60 3ijg s GLY 107 CO -0.07 0.42 1.18 0.86 0.00 0.00 0.00 173.10 175.49 3ijg s TRP 108 N -1.88 -0.31 -1.30 1.90 -0.00 0.39 -4.95 118.94 112.80 3ijg s TRP 108 Ca 0.52 0.72 -0.09 0.00 -0.00 0.00 0.00 56.10 57.25 3ijg s TRP 108 Cb -0.12 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.72 3ijg s TRP 108 CO 0.18 -0.15 0.57 -1.71 -0.00 0.00 0.00 176.95 175.84 3ijg n ASN 109 N 2.28 -2.29 -0.61 5.86 5.15 -1.26 -1.80 115.26 122.59 3ijg n ASN 109 Ca -0.13 -1.02 -0.08 0.00 -0.60 0.00 0.00 54.58 52.75 3ijg n ASN 109 Cb 0.56 -3.12 -0.03 0.00 -0.53 0.00 0.00 39.78 36.66 3ijg n ASN 109 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3ijg n ASN 110 N -2.83 -5.06 0.00 1.20 5.03 -1.26 -4.90 115.26 107.44 3ijg n ASN 110 Ca -0.22 0.20 0.00 0.00 0.87 0.00 0.00 54.58 55.42 3ijg n ASN 110 Cb 0.65 -3.27 0.00 0.00 -1.02 0.00 0.00 39.78 36.14 3ijg n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3ijg n SER 111 N -0.64 0.00 -4.22 6.41 2.88 -0.74 -5.19 113.62 112.13 3ijg n SER 111 Ca -0.08 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.20 3ijg n SER 111 Cb 0.45 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.82 3ijg n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ijg s THR 112 N -1.82 0.72 -1.97 2.46 -4.23 -1.26 -0.46 115.64 109.08 3ijg s THR 112 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3ijg s THR 112 Cb 0.00 -2.38 0.54 0.00 1.34 0.00 0.00 72.50 72.00 3ijg s THR 112 CO 0.00 0.00 1.85 0.49 -0.54 0.00 0.00 174.62 176.42 3ijg n PHE 113 N -0.92 0.00 0.19 3.99 3.72 -0.91 -4.83 117.46 118.70 3ijg n PHE 113 Ca -0.07 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.35 3ijg n PHE 113 Cb 0.65 -0.09 0.09 0.00 -0.94 0.00 0.00 39.48 39.19 3ijg n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71