#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 0.36 -0.14 -0.52 1.75 0.21 -1.06 119.30 119.91 3ijg s MET 2 Ca 0.00 0.15 0.02 0.00 -1.25 0.00 0.00 55.69 54.61 3ijg s MET 2 Cb 0.00 -0.69 0.00 0.00 2.84 0.00 0.00 34.83 36.98 3ijg s MET 2 CO 0.00 -0.24 -0.20 0.12 -0.65 0.00 0.00 175.02 174.05 3ijg s PHE 3 N 1.63 2.69 -0.06 4.11 5.36 -0.16 -0.74 117.98 130.81 3ijg s PHE 3 Ca -0.01 -1.19 0.05 0.00 -0.96 0.00 0.00 56.93 54.82 3ijg s PHE 3 Cb -0.13 -1.82 -0.01 0.00 -0.34 0.00 0.00 43.02 40.73 3ijg s PHE 3 CO -0.03 -0.53 -0.23 0.42 -1.46 0.00 0.00 175.22 173.39 3ijg s ILE 4 N 0.72 1.88 -0.11 3.12 -1.09 -0.49 -0.86 121.20 124.37 3ijg s ILE 4 Ca -0.09 -0.96 0.00 0.00 -2.23 0.00 0.00 60.65 57.38 3ijg s ILE 4 Cb -0.16 -1.60 0.02 0.00 -1.58 0.00 0.00 42.46 39.14 3ijg s ILE 4 CO 0.01 0.52 -0.10 0.54 -1.23 0.00 0.00 174.94 174.68 3ijg s VAL 5 N -0.03 1.14 -0.16 2.92 0.11 0.05 -1.50 120.40 122.93 3ijg s VAL 5 Ca -0.06 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.57 3ijg s VAL 5 Cb -0.14 -1.11 -0.02 0.00 -1.53 0.00 0.00 36.38 33.58 3ijg s VAL 5 CO 0.04 0.38 -0.05 0.20 -3.33 0.00 0.00 175.10 172.34 3ijg s ASN 6 N 1.42 4.57 0.04 3.54 0.01 -0.30 -0.06 114.94 124.16 3ijg s ASN 6 Ca 0.00 -0.21 -0.10 0.00 -0.71 0.00 0.00 52.86 51.84 3ijg s ASN 6 Cb -0.13 -1.74 0.01 0.00 0.41 0.00 0.00 41.25 39.79 3ijg s ASN 6 CO -0.06 0.14 0.21 0.28 -1.51 0.00 0.00 177.10 176.16 3ijg s THR 7 N 0.55 0.10 -1.95 1.60 -1.32 -0.19 -0.96 115.64 113.47 3ijg s THR 7 Ca -0.04 -0.85 0.28 0.00 -1.21 0.00 0.00 61.69 59.87 3ijg s THR 7 Cb -0.15 -0.91 0.47 0.00 -1.51 0.00 0.00 72.50 70.40 3ijg s THR 7 CO 0.03 -0.47 1.77 -0.46 -2.21 0.00 0.00 174.62 173.28 3ijg n ASN 8 N 0.67 0.89 -4.75 8.08 6.94 -1.24 -1.17 115.26 124.69 3ijg n ASN 8 Ca -0.19 -0.97 -0.41 0.00 -0.02 0.00 0.00 54.58 52.99 3ijg n ASN 8 Cb 0.59 0.02 -0.02 0.00 -2.36 0.00 0.00 39.78 38.01 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 -2.31 2.62 0.62 3.53 1.01 -1.26 -4.18 120.40 120.43 3ijg s VAL 9 Ca 0.32 0.55 -0.17 0.00 0.00 0.00 0.00 61.98 62.67 3ijg s VAL 9 Cb 0.20 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3ijg s VAL 9 CO 0.44 0.10 1.14 -2.16 0.00 0.00 0.00 175.10 174.62 3ijg s PRO 10 N -0.82 2.92 0.22 2.72 0.04 -1.26 -0.75 135.00 138.07 3ijg s PRO 10 Ca 0.57 1.55 -0.08 0.00 0.04 0.00 0.00 61.00 63.08 3ijg s PRO 10 Cb -0.42 -1.95 0.35 0.00 0.04 0.00 0.00 34.50 32.52 3ijg s PRO 10 CO 0.47 -1.18 1.69 -0.09 0.04 0.00 0.00 177.00 177.93 3ijg h ARG 11 N 0.47 0.24 0.00 4.56 9.65 -1.93 0.18 114.38 127.54 3ijg h ARG 11 Ca -0.48 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3ijg h ARG 11 Cb 1.26 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3ijg h ARG 11 CO 0.55 0.16 0.01 0.00 2.80 0.00 0.00 179.97 183.48 3ijg h ALA 12 N 1.54 1.01 -0.01 2.80 0.00 -2.03 -0.45 119.26 122.12 3ijg h ALA 12 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3ijg h ALA 12 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ijg h ALA 12 CO -0.46 -0.01 -0.27 0.43 0.00 0.00 0.00 179.25 178.94 3ijg n SER 13 N -2.89 1.26 -4.56 0.00 7.64 0.05 -4.73 113.62 110.39 3ijg n SER 13 Ca -0.03 -1.06 -0.43 0.00 1.01 0.00 0.00 58.87 58.37 3ijg n SER 13 Cb 0.07 0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 63.40 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 4.67 0.61 0.44 1.01 -0.18 -4.74 120.40 119.77 3ijg s VAL 14 Ca 0.24 0.60 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 3ijg s VAL 14 Cb 0.19 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3ijg s VAL 14 CO 0.51 -0.62 1.21 -2.16 0.00 0.00 0.00 175.10 174.04 3ijg s PRO 15 N 3.24 2.85 0.46 2.72 0.04 -1.26 -4.97 135.00 138.08 3ijg s PRO 15 Ca 0.31 1.82 -0.24 0.00 0.04 0.00 0.00 61.00 62.92 3ijg s PRO 15 Cb -0.12 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3ijg s PRO 15 CO 0.21 -1.30 1.29 -0.25 0.04 0.00 0.00 177.00 176.98 3ijg n ASP 16 N -1.77 2.55 0.00 6.66 8.00 -1.26 -2.60 116.55 128.14 3ijg n ASP 16 Ca 0.14 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.70 3ijg n ASP 16 Cb 0.50 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 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 0.80 0.79 0.18 0.44 0.00 -1.26 -4.94 105.19 101.20 3ijg n GLY 17 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 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 0.55 -0.84 1.61 3.57 -1.88 -0.88 116.94 119.07 3ijg h PHE 18 Ca 0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3ijg h PHE 18 Cb 0.00 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.53 3ijg h PHE 18 CO 0.00 0.48 0.44 -0.07 -2.23 0.00 0.00 178.31 176.93 3ijg h LEU 19 N 0.46 1.06 -0.35 0.59 3.38 -1.92 -0.84 115.31 117.69 3ijg h LEU 19 Ca 0.13 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3ijg h LEU 19 Cb 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3ijg h LEU 19 CO -0.01 0.86 -0.02 -1.28 0.09 0.00 0.00 178.44 178.08 3ijg h SER 20 N 1.18 0.63 -0.66 -0.43 0.87 -1.92 -1.27 113.55 111.95 3ijg h SER 20 Ca 0.29 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3ijg h SER 20 Cb 0.05 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.81 3ijg h SER 20 CO -0.04 0.80 0.40 -0.08 -0.53 0.00 0.00 176.83 177.38 3ijg h GLU 21 N 0.45 0.89 -0.48 2.24 4.81 -0.80 -0.76 114.58 120.92 3ijg h GLU 21 Ca 0.10 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3ijg h GLU 21 Cb 0.49 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 3ijg h GLU 21 CO 0.02 0.64 0.25 -0.07 -0.73 0.00 0.00 179.01 179.12 3ijg h LEU 22 N 0.89 0.62 -0.16 1.64 3.38 -1.04 -0.54 115.31 120.10 3ijg h LEU 22 Ca 0.24 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.11 3ijg h LEU 22 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3ijg h LEU 22 CO -0.04 0.55 0.03 0.74 0.09 0.00 0.00 178.44 179.81 3ijg h THR 23 N 0.64 0.93 -0.35 0.22 2.02 -0.75 -0.29 112.91 115.33 3ijg h THR 23 Ca 0.17 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 3ijg h THR 23 Cb 0.09 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3ijg h THR 23 CO -0.02 0.02 0.08 1.56 0.37 0.00 0.00 175.52 177.52 3ijg h GLN 24 N 0.10 0.56 -0.55 6.66 4.20 -0.99 -1.42 115.11 123.68 3ijg h GLN 24 Ca 0.07 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.55 3ijg h GLN 24 Cb 0.06 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3ijg h GLN 24 CO -0.10 0.62 -0.05 1.96 -0.67 0.00 0.00 178.83 180.59 3ijg h GLN 25 N 0.41 0.98 -0.19 1.46 1.08 -0.99 -2.87 115.11 114.98 3ijg h GLN 25 Ca 0.11 -0.32 -0.16 0.00 -1.45 0.00 0.00 58.65 56.83 3ijg h GLN 25 Cb 0.31 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 3ijg h GLN 25 CO 0.00 0.99 -0.55 -0.07 -0.95 0.00 0.00 178.83 178.25 3ijg h LEU 26 N 0.89 0.65 -0.57 1.46 3.38 -0.99 -0.72 115.31 119.40 3ijg h LEU 26 Ca 0.15 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.80 3ijg h LEU 26 Cb 0.58 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3ijg h LEU 26 CO 0.04 1.07 0.35 0.00 0.09 0.00 0.00 178.44 179.99 3ijg h ALA 27 N 0.94 0.74 -0.15 1.53 0.00 -1.17 -0.57 119.26 120.58 3ijg h ALA 27 Ca 0.01 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.72 3ijg h ALA 27 Cb 1.10 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.72 3ijg h ALA 27 CO 0.11 0.09 -0.62 1.96 0.00 0.00 0.00 179.25 180.78 3ijg h GLN 28 N 0.70 0.68 -0.25 0.00 4.20 -1.43 0.47 115.11 119.49 3ijg h GLN 28 Ca 0.23 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 3ijg h GLN 28 Cb 0.00 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3ijg h GLN 28 CO -0.09 1.15 0.06 0.00 -0.67 0.00 0.00 178.83 179.28 3ijg h ALA 29 N 0.53 0.32 0.00 3.87 0.00 -0.97 -3.11 119.26 119.91 3ijg h ALA 29 Ca -0.04 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 3ijg h ALA 29 Cb 1.25 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3ijg h ALA 29 CO 0.13 -0.02 -0.70 1.79 0.00 0.00 0.00 179.25 180.45 3ijg h THR 30 N 0.22 1.23 0.00 0.00 1.35 -1.19 -3.47 112.91 111.04 3ijg h THR 30 Ca 0.08 -2.67 0.00 0.00 -0.55 0.00 0.00 66.41 63.26 3ijg h THR 30 Cb 0.28 2.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 3ijg h THR 30 CO 0.00 0.69 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 3ijg n GLY 31 N 1.20 1.27 3.78 5.82 0.00 0.14 -4.93 105.19 112.45 3ijg n GLY 31 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.53 3.12 0.36 1.61 -0.14 -1.10 -4.95 119.74 118.12 3ijg s LYS 32 Ca 0.00 1.45 -0.28 0.00 -1.36 0.00 0.00 55.97 55.77 3ijg s LYS 32 Cb 0.00 -1.99 -0.11 0.00 -1.68 0.00 0.00 37.83 34.05 3ijg s LYS 32 CO 0.00 -1.00 1.44 -2.14 -0.76 0.00 0.00 175.35 172.89 3ijg s PRO 33 N -3.75 4.17 0.49 -1.68 0.02 -1.26 -4.64 135.00 128.34 3ijg s PRO 33 Ca 0.69 2.48 0.22 0.00 0.02 0.00 0.00 61.00 64.41 3ijg s PRO 33 Cb -0.21 -2.99 1.26 0.00 0.02 0.00 0.00 34.50 32.58 3ijg s PRO 33 CO 0.34 -0.45 1.94 -1.35 -0.33 0.00 0.00 177.00 177.16 3ijg h PRO 34 N 3.11 0.17 0.00 5.54 0.11 -1.93 0.59 132.00 139.59 3ijg h PRO 34 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ijg h PRO 34 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3ijg h PRO 34 CO 0.65 0.11 0.00 -0.56 -0.21 0.00 0.00 178.00 177.99 3ijg h GLN 35 N 0.18 0.00 0.00 1.05 -0.00 -1.99 -2.13 115.11 112.22 3ijg h GLN 35 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.99 3ijg h GLN 35 Cb 1.09 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.57 3ijg h GLN 35 CO -0.06 0.00 -0.45 0.66 -0.00 0.00 0.00 178.83 178.98 3ijg n TYR 36 N -2.93 0.33 -2.92 0.06 0.53 0.20 -4.90 117.16 107.53 3ijg n TYR 36 Ca -0.01 0.10 -0.41 0.00 -1.02 0.00 0.00 57.90 56.56 3ijg n TYR 36 Cb 0.19 -0.53 -0.04 0.00 -1.03 0.00 0.00 39.34 37.94 3ijg n TYR 36 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3ijg s ILE 37 N -3.08 4.91 -0.06 -0.72 -1.09 -0.80 -1.59 121.20 118.77 3ijg s ILE 37 Ca 0.09 1.60 0.06 0.00 -2.23 0.00 0.00 60.65 60.17 3ijg s ILE 37 Cb 0.15 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.90 3ijg s ILE 37 CO 0.68 0.07 -0.24 0.00 -1.23 0.00 0.00 174.94 174.23 3ijg s ALA 38 N 1.86 2.22 0.03 9.38 0.00 -0.22 -4.97 121.76 130.06 3ijg s ALA 38 Ca 0.38 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.35 3ijg s ALA 38 Cb -0.17 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3ijg s ALA 38 CO 0.14 0.42 -0.15 0.14 0.00 0.00 0.00 175.76 176.31 3ijg s VAL 39 N -0.20 1.19 -0.11 0.00 -7.23 -1.26 -0.99 120.40 111.80 3ijg s VAL 39 Ca -0.02 -0.98 -0.05 0.00 -1.81 0.00 0.00 61.98 59.12 3ijg s VAL 39 Cb -0.13 -1.06 0.05 0.00 0.56 0.00 0.00 36.38 35.79 3ijg s VAL 39 CO 0.03 0.07 0.23 -2.28 -0.31 0.00 0.00 175.10 172.84 3ijg s HIS 40 N -0.79 -0.33 -0.10 2.82 5.04 -0.04 -4.97 115.29 116.92 3ijg s HIS 40 Ca 0.03 0.80 0.03 0.00 -1.54 0.00 0.00 55.06 54.38 3ijg s HIS 40 Cb -0.08 -0.02 0.00 0.00 0.04 0.00 0.00 32.58 32.53 3ijg s HIS 40 CO 0.01 -0.27 -0.21 0.08 -2.34 0.00 0.00 174.74 172.01 3ijg s VAL 41 N 1.70 1.90 -0.37 0.89 1.01 -1.26 -0.77 120.40 123.49 3ijg s VAL 41 Ca -0.05 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3ijg s VAL 41 Cb -0.11 -1.66 0.11 0.00 0.00 0.00 0.00 36.38 34.72 3ijg s VAL 41 CO -0.08 0.52 0.11 -0.69 0.00 0.00 0.00 175.10 174.96 3ijg s VAL 42 N 0.52 1.98 0.76 2.92 1.01 0.92 -4.97 120.40 123.53 3ijg s VAL 42 Ca -0.15 -2.35 -0.05 0.00 0.00 0.00 0.00 61.98 59.43 3ijg s VAL 42 Cb -0.17 -2.44 0.16 0.00 0.00 0.00 0.00 36.38 33.93 3ijg s VAL 42 CO 0.05 -0.68 1.04 -0.81 0.00 0.00 0.00 175.10 174.71 3ijg n PRO 43 N 4.11 -0.44 -2.44 2.72 -0.04 -1.26 -1.03 135.00 136.63 3ijg n PRO 43 Ca 0.03 -2.35 -0.18 0.00 -0.04 0.00 0.00 63.50 60.96 3ijg n PRO 43 Cb 0.40 -0.84 -0.01 0.00 -0.04 0.00 0.00 33.50 33.01 3ijg n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3ijg n ASP 44 N -3.20 -5.33 -4.85 3.54 8.00 0.07 -4.84 116.55 109.94 3ijg n ASP 44 Ca 0.16 0.03 -0.32 0.00 0.71 0.00 0.00 54.79 55.37 3ijg n ASP 44 Cb 0.55 -4.45 -0.05 0.00 -0.02 0.00 0.00 41.12 37.15 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 -5.07 3.94 -0.60 -1.24 -1.52 -0.31 -4.94 119.66 109.92 3ijg s GLN 45 Ca 0.01 0.72 -0.20 0.00 -1.95 0.00 0.00 55.36 53.95 3ijg s GLN 45 Cb -0.00 -2.32 0.09 0.00 -0.22 0.00 0.00 33.01 30.56 3ijg s GLN 45 CO 0.01 -0.03 0.76 -1.17 -0.25 0.00 0.00 175.29 174.62 3ijg s LEU 46 N -3.55 5.09 0.18 2.90 2.96 -1.26 -4.09 118.68 120.91 3ijg s LEU 46 Ca 0.55 -1.26 -0.11 0.00 -0.22 0.00 0.00 54.13 53.10 3ijg s LEU 46 Cb -0.10 -2.35 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 3ijg s LEU 46 CO 0.25 -1.17 0.34 0.00 -1.32 0.00 0.00 176.35 174.45 3ijg s MET 47 N 3.03 1.24 0.03 1.98 0.23 -1.26 -5.07 119.30 119.48 3ijg s MET 47 Ca 0.15 -1.14 -0.05 0.00 -1.03 0.00 0.00 55.69 53.61 3ijg s MET 47 Cb -0.22 0.41 -0.01 0.00 -1.53 0.00 0.00 34.83 33.48 3ijg s MET 47 CO 0.08 -0.48 0.09 0.00 -2.03 0.00 0.00 175.02 172.68 3ijg s ALA 48 N -3.96 -0.07 -0.15 3.16 0.00 -1.26 -4.57 121.76 114.91 3ijg s ALA 48 Ca 0.17 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 3ijg s ALA 48 Cb 0.02 0.21 0.04 0.00 0.00 0.00 0.00 23.12 23.40 3ijg s ALA 48 CO 0.01 -0.28 0.00 0.12 0.00 0.00 0.00 175.76 175.61 3ijg s PHE 49 N -2.29 1.08 -1.07 0.00 2.19 0.01 -4.69 117.98 113.21 3ijg s PHE 49 Ca -0.08 -0.68 0.00 0.00 0.33 0.00 0.00 56.93 56.50 3ijg s PHE 49 Cb -0.03 -1.03 0.00 0.00 -1.31 0.00 0.00 43.02 40.65 3ijg s PHE 49 CO -0.03 -0.52 0.00 0.41 1.83 0.00 0.00 175.22 176.91 3ijg n GLY 50 N 5.04 0.97 2.02 13.12 0.00 -1.26 -2.26 105.19 122.81 3ijg n GLY 50 Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.59 1.63 3.81 -0.02 0.00 -1.26 -5.03 105.19 102.74 3ijg n GLY 51 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3ijg n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ijg s SER 52 N -3.23 6.02 -0.38 1.61 0.15 -0.96 -5.00 113.70 111.91 3ijg s SER 52 Ca 0.00 0.35 0.07 0.00 0.70 0.00 0.00 55.95 57.08 3ijg s SER 52 Cb 0.00 -1.90 0.71 0.00 -1.71 0.00 0.00 66.02 63.12 3ijg s SER 52 CO 0.00 0.38 1.85 -1.20 1.20 0.00 0.00 173.24 175.47 3ijg n SER 53 N 2.16 4.34 -4.76 5.45 7.64 -1.26 -0.81 113.62 126.37 3ijg n SER 53 Ca -0.19 -3.40 -0.31 0.00 1.01 0.00 0.00 58.87 55.98 3ijg n SER 53 Cb 0.54 -0.78 0.10 0.00 -1.01 0.00 0.00 64.21 63.06 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 -3.13 2.05 0.07 1.43 0.41 -1.26 -4.85 118.70 113.42 3ijg s GLU 54 Ca 0.56 1.08 -0.37 0.00 -0.41 0.00 0.00 54.97 55.83 3ijg s GLU 54 Cb 0.46 -1.88 -0.18 0.00 -1.78 0.00 0.00 34.13 30.75 3ijg s GLU 54 CO 0.12 -1.77 1.15 -2.30 -0.49 0.00 0.00 175.26 171.98 3ijg n PRO 55 N -3.60 0.63 -3.98 0.39 -0.02 -1.26 -4.84 135.00 122.32 3ijg n PRO 55 Ca 0.09 0.23 -0.10 0.00 -2.02 0.00 0.00 63.50 61.69 3ijg n PRO 55 Cb 0.54 -1.75 -0.04 0.00 -0.02 0.00 0.00 33.50 32.23 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 -3.64 -1.08 -0.19 0.00 0.00 -0.48 -3.60 121.76 112.77 3ijg s ALA 57 Ca 0.22 1.12 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3ijg s ALA 57 Cb -0.02 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.56 3ijg s ALA 57 CO 0.11 -0.22 -0.16 -0.51 0.00 0.00 0.00 175.76 174.97 3ijg s LEU 58 N -0.06 2.28 0.38 0.00 1.43 -0.14 -1.65 118.68 120.91 3ijg s LEU 58 Ca -0.02 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.34 3ijg s LEU 58 Cb -0.03 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 3ijg s LEU 58 CO 0.02 -0.06 0.07 0.00 0.23 0.00 0.00 176.35 176.61 3ijg s SER 60 N -3.58 -0.39 -0.13 0.00 1.04 -0.56 -0.95 113.70 109.14 3ijg s SER 60 Ca 0.29 0.63 -0.01 0.00 0.48 0.00 0.00 55.95 57.34 3ijg s SER 60 Cb 0.06 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.90 3ijg s SER 60 CO 0.14 -0.27 -0.05 -0.22 0.98 0.00 0.00 173.24 173.82 3ijg s LEU 61 N -0.33 1.21 -0.11 2.42 2.96 -0.02 -1.39 118.68 123.43 3ijg s LEU 61 Ca -0.05 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3ijg s LEU 61 Cb -0.03 -0.79 -0.03 0.00 0.50 0.00 0.00 46.19 45.84 3ijg s LEU 61 CO 0.02 -0.16 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.86 3ijg s HIS 62 N 1.74 3.04 -0.05 5.38 3.76 0.09 -1.03 115.29 128.21 3ijg s HIS 62 Ca 0.04 -0.04 -0.24 0.00 -0.15 0.00 0.00 55.06 54.66 3ijg s HIS 62 Cb -0.13 -1.83 0.05 0.00 1.11 0.00 0.00 32.58 31.78 3ijg s HIS 62 CO -0.08 0.23 0.53 0.45 -0.85 0.00 0.00 174.74 175.03 3ijg s SER 63 N -0.39 -0.48 -0.68 1.40 0.15 -0.65 -0.62 113.70 112.44 3ijg s SER 63 Ca 0.06 0.52 -0.21 0.00 0.70 0.00 0.00 55.95 57.03 3ijg s SER 63 Cb -0.12 0.51 0.09 0.00 -1.71 0.00 0.00 66.02 64.78 3ijg s SER 63 CO 0.02 -0.52 0.91 -0.63 1.20 0.00 0.00 173.24 174.23 3ijg s ILE 64 N -1.12 4.54 0.00 6.45 1.01 -1.26 -0.69 121.20 130.13 3ijg s ILE 64 Ca -0.11 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.79 3ijg s ILE 64 Cb -0.02 -4.64 0.00 0.00 0.01 0.00 0.00 42.46 37.80 3ijg s ILE 64 CO 0.07 -1.37 0.00 0.61 0.00 0.00 0.00 174.94 174.25 3ijg n GLY 65 N 5.32 -2.30 2.40 6.18 0.00 -1.26 -4.94 105.19 110.59 3ijg n GLY 65 Ca -0.01 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 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 -0.48 -1.37 -4.89 1.61 4.76 -1.26 -4.91 118.16 111.63 3ijg n LYS 66 Ca 0.00 0.96 -0.28 0.00 -2.87 0.00 0.00 58.31 56.12 3ijg n LYS 66 Cb 0.00 -5.37 -0.17 0.00 -1.84 0.00 0.00 35.03 27.65 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 -2.81 1.55 0.00 -0.18 -1.09 -1.26 -4.87 121.20 112.54 3ijg s ILE 67 Ca 0.00 -0.74 0.00 0.00 -2.23 0.00 0.00 60.65 57.68 3ijg s ILE 67 Cb 0.00 -1.36 0.00 0.00 -1.58 0.00 0.00 42.46 39.52 3ijg s ILE 67 CO 0.00 0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.77 3ijg n GLY 68 N 3.54 -0.32 0.27 6.18 0.00 -1.26 -4.99 105.19 108.60 3ijg n GLY 68 Ca -0.20 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.34 0.91 -0.02 0.00 -1.99 0.15 103.07 100.78 3ijg h GLY 69 Ca 0.00 0.71 -0.03 0.00 0.00 0.00 0.00 47.33 48.01 3ijg h GLY 69 CO 0.00 -0.37 0.08 0.00 0.00 0.00 0.00 176.54 176.25 3ijg h ALA 70 N -0.70 0.45 -0.85 3.60 0.00 -2.00 -2.65 119.26 117.11 3ijg h ALA 70 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ijg h ALA 70 Cb 0.38 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3ijg h ALA 70 CO -0.29 0.12 0.54 1.96 0.00 0.00 0.00 179.25 181.58 3ijg h GLN 71 N 0.40 1.13 -0.40 0.00 4.20 -1.90 -1.93 115.11 116.61 3ijg h GLN 71 Ca 0.11 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.65 3ijg h GLN 71 Cb 0.30 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3ijg h GLN 71 CO 0.00 0.77 -0.08 -0.91 -0.67 0.00 0.00 178.83 177.94 3ijg h ASN 72 N 1.16 0.67 -0.62 1.46 2.35 -0.64 0.80 115.58 120.75 3ijg h ASN 72 Ca 0.31 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 3ijg h ASN 72 Cb -0.09 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 3ijg h ASN 72 CO -0.06 0.79 0.13 0.03 -1.65 0.00 0.00 177.43 176.67 3ijg h ARG 73 N 0.64 1.04 -0.38 0.81 3.08 -1.08 -0.49 114.38 118.00 3ijg h ARG 73 Ca 0.12 -0.26 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 3ijg h ARG 73 Cb 0.52 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3ijg h ARG 73 CO 0.03 0.94 -0.16 1.03 -1.07 0.00 0.00 179.97 180.74 3ijg h SER 74 N 0.98 0.79 -0.68 7.04 0.87 -0.76 -2.15 113.55 119.66 3ijg h SER 74 Ca 0.20 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 3ijg h SER 74 Cb 0.39 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3ijg h SER 74 CO 0.01 1.01 0.24 1.88 -0.53 0.00 0.00 176.83 179.44 3ijg h TYR 75 N 0.57 1.08 -0.76 2.24 0.05 -0.64 -1.74 116.97 117.76 3ijg h TYR 75 Ca 0.09 -0.09 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 3ijg h TYR 75 Cb 0.70 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 3ijg h TYR 75 CO 0.06 0.84 0.25 0.77 -1.05 0.00 0.00 178.16 179.03 3ijg h SER 76 N 1.02 1.09 -0.31 3.88 0.02 -0.91 0.21 113.55 118.55 3ijg h SER 76 Ca 0.23 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3ijg h SER 76 Cb 0.25 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3ijg h SER 76 CO -0.01 1.00 0.03 0.50 -1.14 0.00 0.00 176.83 177.21 3ijg h LYS 77 N 1.13 0.52 0.43 3.45 3.64 -1.11 0.11 116.57 124.73 3ijg h LYS 77 Ca 0.25 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3ijg h LYS 77 Cb 0.29 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3ijg h LYS 77 CO -0.01 0.63 -0.21 1.25 -2.27 0.00 0.00 179.45 178.84 3ijg h LEU 78 N 0.33 -0.49 -0.46 5.20 5.85 -1.02 -1.33 115.31 123.39 3ijg h LEU 78 Ca 0.09 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 3ijg h LEU 78 Cb 0.37 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3ijg h LEU 78 CO 0.01 -0.32 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.68 3ijg h LEU 79 N -0.61 0.84 -1.14 2.25 3.38 -0.60 -1.58 115.31 117.85 3ijg h LEU 79 Ca -0.06 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 3ijg h LEU 79 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3ijg h LEU 79 CO 0.10 0.97 -0.14 0.00 0.09 0.00 0.00 178.44 179.46 3ijg h GLY 81 N 0.91 0.61 1.22 0.00 0.00 -0.89 -0.31 103.07 104.61 3ijg h GLY 81 Ca 0.08 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 3ijg h GLY 81 CO 0.03 0.30 -0.19 1.41 0.00 0.00 0.00 176.54 178.09 3ijg h LEU 82 N 0.49 0.91 -0.82 3.11 3.38 -0.91 -0.59 115.31 120.88 3ijg h LEU 82 Ca 0.13 -0.32 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 3ijg h LEU 82 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3ijg h LEU 82 CO -0.01 1.07 -0.32 -0.07 0.09 0.00 0.00 178.44 179.20 3ijg h LEU 83 N 0.78 0.54 -0.14 1.67 3.38 -0.97 0.10 115.31 120.67 3ijg h LEU 83 Ca 0.11 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3ijg h LEU 83 Cb 0.73 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3ijg h LEU 83 CO 0.06 0.82 -0.25 0.00 0.09 0.00 0.00 178.44 179.16 3ijg h ALA 84 N 1.21 0.22 -0.08 1.53 0.00 -0.88 -1.16 119.26 120.11 3ijg h ALA 84 Ca 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3ijg h ALA 84 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ijg h ALA 84 CO 0.06 0.20 -0.03 1.49 0.00 0.00 0.00 179.25 180.97 3ijg h GLU 85 N 0.02 0.16 0.16 0.00 4.81 -1.00 -2.30 114.58 116.42 3ijg h GLU 85 Ca 0.01 -0.07 -0.35 0.00 -0.13 0.00 0.00 59.36 58.83 3ijg h GLU 85 Cb 0.83 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.20 3ijg h GLU 85 CO 0.06 0.51 -1.78 0.00 -0.73 0.00 0.00 179.01 177.07 3ijg h ARG 86 N -0.21 0.33 -0.03 1.92 2.47 -0.91 -3.39 114.38 114.57 3ijg h ARG 86 Ca 0.02 -0.56 0.00 0.00 -1.26 0.00 0.00 59.98 58.18 3ijg h ARG 86 Cb 0.46 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3ijg h ARG 86 CO 0.01 1.23 0.00 1.28 0.56 0.00 0.00 179.97 183.05 3ijg n LEU 87 N -3.52 2.26 -3.36 3.04 4.77 -0.51 -4.56 117.00 115.11 3ijg n LEU 87 Ca -0.25 -1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 54.47 3ijg n LEU 87 Cb 1.06 -0.01 0.05 0.00 -2.33 0.00 0.00 43.42 42.20 3ijg n LEU 87 CO 0.49 0.41 0.12 0.54 -1.33 0.00 0.00 177.39 177.62 3ijg n ARG 88 N 0.84 -6.26 -3.83 3.23 5.12 -0.76 -4.96 116.66 110.04 3ijg n ARG 88 Ca 0.09 0.83 -0.35 0.00 -1.93 0.00 0.00 57.85 56.49 3ijg n ARG 88 Cb 0.38 -5.78 -0.09 0.00 -1.16 0.00 0.00 32.46 25.81 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 -3.24 5.13 0.28 0.55 1.01 -0.97 -4.94 121.20 119.02 3ijg s ILE 89 Ca 0.46 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.91 3ijg s ILE 89 Cb -0.21 -3.34 -0.10 0.00 0.01 0.00 0.00 42.46 38.82 3ijg s ILE 89 CO 0.57 0.44 1.40 -0.44 0.00 0.00 0.00 174.94 176.91 3ijg s SER 90 N 0.46 6.68 0.52 3.58 0.01 -1.26 -3.33 113.70 120.36 3ijg s SER 90 Ca 0.06 2.68 0.24 0.00 1.31 0.00 0.00 55.95 60.25 3ijg s SER 90 Cb -0.12 -2.63 1.37 0.00 0.21 0.00 0.00 66.02 64.84 3ijg s SER 90 CO -0.00 -0.66 1.99 -0.65 0.41 0.00 0.00 173.24 174.33 3ijg h PRO 91 N 4.44 0.04 -0.35 12.44 0.11 -1.97 -0.45 132.00 146.26 3ijg h PRO 91 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3ijg h PRO 91 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ijg h PRO 91 CO 0.73 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 3ijg n ASP 92 N -4.39 0.95 -1.05 -2.05 3.85 -1.26 -2.97 116.55 109.63 3ijg n ASP 92 Ca 0.10 -2.04 0.03 0.00 -0.71 0.00 0.00 54.79 52.17 3ijg n ASP 92 Cb 0.60 -0.21 0.13 0.00 -1.35 0.00 0.00 41.12 40.30 3ijg n ASP 92 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3ijg n ARG 93 N -0.08 1.19 -4.31 0.11 1.74 -0.18 -5.02 116.66 110.11 3ijg n ARG 93 Ca 0.04 -2.93 -0.21 0.00 -0.77 0.00 0.00 57.85 53.98 3ijg n ARG 93 Cb 0.18 -1.12 -0.16 0.00 -1.02 0.00 0.00 32.46 30.34 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 -2.27 0.72 -0.03 1.55 1.01 -1.16 -1.38 120.40 118.85 3ijg s VAL 94 Ca 0.37 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3ijg s VAL 94 Cb 0.38 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 3ijg s VAL 94 CO -0.10 0.26 -0.26 -0.31 0.00 0.00 0.00 175.10 174.69 3ijg s TYR 95 N 0.68 2.35 -0.14 5.22 2.02 -0.66 -5.00 117.35 121.82 3ijg s TYR 95 Ca -0.11 -0.48 -0.02 0.00 -0.37 0.00 0.00 57.07 56.10 3ijg s TYR 95 Cb -0.13 -1.52 0.04 0.00 -0.40 0.00 0.00 41.96 39.95 3ijg s TYR 95 CO 0.01 -0.06 -0.00 0.42 -1.57 0.00 0.00 175.55 174.35 3ijg s ILE 96 N -0.55 0.65 -0.14 2.71 1.01 -1.26 -0.05 121.20 123.58 3ijg s ILE 96 Ca 0.08 -0.35 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 3ijg s ILE 96 Cb -0.11 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 3ijg s ILE 96 CO -0.00 0.05 0.55 0.20 0.00 0.00 0.00 174.94 175.75 3ijg s ASN 97 N 1.83 6.71 -0.12 3.58 0.02 -0.12 -4.92 114.94 121.91 3ijg s ASN 97 Ca 0.02 0.86 -0.05 0.00 -1.02 0.00 0.00 52.86 52.66 3ijg s ASN 97 Cb -0.15 -2.32 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 3ijg s ASN 97 CO -0.07 -0.11 0.06 -0.31 0.02 0.00 0.00 177.10 176.69 3ijg s TYR 98 N 1.11 3.30 -0.08 2.20 1.51 -1.26 -0.84 117.35 123.29 3ijg s TYR 98 Ca 0.28 0.24 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 3ijg s TYR 98 Cb -0.16 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.80 3ijg s TYR 98 CO 0.12 0.45 -0.07 0.71 -1.11 0.00 0.00 175.55 175.64 3ijg s TYR 99 N -0.57 1.25 -0.55 2.71 1.51 -0.20 -4.96 117.35 116.54 3ijg s TYR 99 Ca 0.11 -0.52 -0.18 0.00 -1.01 0.00 0.00 57.07 55.47 3ijg s TYR 99 Cb -0.12 -1.03 0.09 0.00 -0.11 0.00 0.00 41.96 40.79 3ijg s TYR 99 CO 0.02 -0.36 0.62 0.34 -1.11 0.00 0.00 175.55 175.06 3ijg s ASP 100 N 1.29 6.19 0.13 2.29 -1.08 -1.26 -1.63 116.67 122.60 3ijg s ASP 100 Ca -0.04 -1.35 -0.25 0.00 -0.52 0.00 0.00 52.55 50.39 3ijg s ASP 100 Cb -0.14 -2.27 -0.07 0.00 -1.46 0.00 0.00 42.92 38.98 3ijg s ASP 100 CO -0.03 -0.97 0.76 -0.04 0.52 0.00 0.00 175.17 175.41 3ijg s MET 101 N 2.38 4.52 0.28 4.34 -1.94 0.13 -4.89 119.30 124.12 3ijg s MET 101 Ca 0.10 1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 54.90 3ijg s MET 101 Cb -0.24 -3.28 -0.09 0.00 2.01 0.00 0.00 34.83 33.23 3ijg s MET 101 CO 0.07 0.52 1.00 -0.80 -0.01 0.00 0.00 175.02 175.80 3ijg s ASN 102 N -0.91 7.40 0.35 3.03 0.01 -1.26 -4.19 114.94 119.37 3ijg s ASN 102 Ca 0.36 2.04 0.08 0.00 -0.71 0.00 0.00 52.86 54.64 3ijg s ASN 102 Cb -0.22 -2.61 0.80 0.00 0.41 0.00 0.00 41.25 39.63 3ijg s ASN 102 CO 0.25 -0.03 1.87 0.00 -1.51 0.00 0.00 177.10 177.68 3ijg h ALA 103 N 3.76 1.81 0.00 0.60 0.00 -1.95 0.09 119.26 123.57 3ijg h ALA 103 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ijg h ALA 103 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ijg h ALA 103 CO 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3ijg h ALA 104 N 1.59 1.00 -0.48 0.00 0.00 -1.92 -2.65 119.26 116.80 3ijg h ALA 104 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 3ijg h ALA 104 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ijg h ALA 104 CO -0.21 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.13 3ijg n ASN 105 N -2.91 4.99 -3.93 0.00 3.02 0.02 -4.85 115.26 111.59 3ijg n ASN 105 Ca -0.01 -2.87 -0.30 0.00 -0.03 0.00 0.00 54.58 51.37 3ijg n ASN 105 Cb 0.17 -0.62 -0.16 0.00 -0.61 0.00 0.00 39.78 38.57 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 -2.62 1.39 0.17 2.41 1.01 -1.02 -4.91 120.40 116.83 3ijg s VAL 106 Ca 0.50 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3ijg s VAL 106 Cb 0.38 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 3ijg s VAL 106 CO 0.15 0.02 0.51 -0.83 0.00 0.00 0.00 175.10 174.96 3ijg s GLY 107 N 1.49 2.35 -0.29 4.51 0.00 -1.26 -2.34 107.32 111.78 3ijg s GLY 107 Ca -0.03 -0.26 -0.23 0.00 0.00 0.00 0.00 44.72 44.20 3ijg s GLY 107 CO -0.07 -0.06 1.07 0.86 0.00 0.00 0.00 173.10 174.90 3ijg s TRP 108 N -1.61 -0.45 -1.32 1.90 -0.00 0.12 -4.96 118.94 112.62 3ijg s TRP 108 Ca 0.41 1.04 -0.07 0.00 -0.00 0.00 0.00 56.10 57.49 3ijg s TRP 108 Cb -0.13 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.71 3ijg s TRP 108 CO 0.20 -0.22 0.56 -1.71 -0.00 0.00 0.00 176.95 175.78 3ijg n ASN 109 N 2.42 -1.87 0.00 5.86 4.05 -1.26 -1.65 115.26 122.82 3ijg n ASN 109 Ca -0.13 -1.00 0.00 0.00 0.45 0.00 0.00 54.58 53.90 3ijg n ASN 109 Cb 0.56 -3.21 0.00 0.00 1.23 0.00 0.00 39.78 38.36 3ijg n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3ijg n ASN 110 N -2.89 -3.26 0.00 1.20 5.03 -1.26 -4.91 115.26 109.17 3ijg n ASN 110 Ca -0.25 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.20 3ijg n ASN 110 Cb 0.66 -1.90 0.00 0.00 -1.02 0.00 0.00 39.78 37.52 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 -0.38 0.00 -4.39 6.41 2.88 -0.66 -5.19 113.62 112.30 3ijg n SER 111 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 3ijg n SER 111 Cb 0.19 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.78 0.95 -1.20 2.46 -4.23 -1.26 0.10 115.64 110.68 3ijg s THR 112 Ca 0.00 -2.00 0.24 0.00 -1.18 0.00 0.00 61.69 58.74 3ijg s THR 112 Cb 0.00 -2.70 0.30 0.00 1.34 0.00 0.00 72.50 71.44 3ijg s THR 112 CO 0.00 -0.03 1.77 0.49 -0.54 0.00 0.00 174.62 176.31 3ijg n PHE 113 N -0.58 0.00 0.00 3.99 3.72 -0.99 -4.90 117.46 118.70 3ijg n PHE 113 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3ijg n PHE 113 Cb 0.66 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 3ijg n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71