#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 0.19 -0.12 -0.52 1.75 0.07 -1.16 119.30 119.51 3ijg s MET 2 Ca 0.00 0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.64 3ijg s MET 2 Cb 0.00 -0.52 0.01 0.00 2.84 0.00 0.00 34.83 37.16 3ijg s MET 2 CO 0.00 -0.22 -0.19 0.12 -0.65 0.00 0.00 175.02 174.09 3ijg s PHE 3 N 1.46 2.33 -0.06 4.11 5.36 -0.04 -0.88 117.98 130.26 3ijg s PHE 3 Ca -0.04 -1.13 0.06 0.00 -0.96 0.00 0.00 56.93 54.85 3ijg s PHE 3 Cb -0.13 -1.62 -0.01 0.00 -0.34 0.00 0.00 43.02 40.92 3ijg s PHE 3 CO -0.03 -0.54 -0.24 0.42 -1.46 0.00 0.00 175.22 173.38 3ijg s ILE 4 N 0.87 1.95 -0.14 3.12 1.01 -0.46 -0.89 121.20 126.66 3ijg s ILE 4 Ca -0.07 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3ijg s ILE 4 Cb -0.15 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.69 3ijg s ILE 4 CO -0.01 0.54 -0.14 -0.69 0.00 0.00 0.00 174.94 174.64 3ijg s VAL 5 N -0.09 1.50 -0.16 2.92 1.01 0.44 -1.67 120.40 124.36 3ijg s VAL 5 Ca -0.05 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 3ijg s VAL 5 Cb -0.14 -1.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3ijg s VAL 5 CO 0.04 0.45 -0.09 0.20 0.00 0.00 0.00 175.10 175.70 3ijg s ASN 6 N 1.43 4.28 0.07 3.32 0.01 -0.40 0.25 114.94 123.90 3ijg s ASN 6 Ca 0.03 -0.29 -0.12 0.00 -0.71 0.00 0.00 52.86 51.77 3ijg s ASN 6 Cb -0.13 -1.68 0.01 0.00 0.41 0.00 0.00 41.25 39.86 3ijg s ASN 6 CO -0.09 0.13 0.27 0.28 -1.51 0.00 0.00 177.10 176.18 3ijg s THR 7 N 0.59 0.10 -1.42 1.60 -1.32 0.09 -0.86 115.64 114.42 3ijg s THR 7 Ca -0.06 -0.83 0.27 0.00 -1.21 0.00 0.00 61.69 59.86 3ijg s THR 7 Cb -0.15 -1.07 0.22 0.00 -1.51 0.00 0.00 72.50 69.99 3ijg s THR 7 CO 0.03 -0.46 1.61 -0.46 -2.21 0.00 0.00 174.62 173.13 3ijg n ASN 8 N 0.31 0.65 -4.76 8.08 6.94 -1.24 -0.87 115.26 124.37 3ijg n ASN 8 Ca -0.17 -0.50 -0.39 0.00 -0.02 0.00 0.00 54.58 53.51 3ijg n ASN 8 Cb 0.61 0.08 0.00 0.00 -2.36 0.00 0.00 39.78 38.11 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 -2.70 2.65 0.62 3.53 1.01 -1.26 -4.09 120.40 120.15 3ijg s VAL 9 Ca 0.20 0.53 -0.19 0.00 0.00 0.00 0.00 61.98 62.53 3ijg s VAL 9 Cb 0.19 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3ijg s VAL 9 CO 0.57 0.04 1.27 -2.84 0.00 0.00 0.00 175.10 174.14 3ijg s PRO 10 N -2.50 2.77 0.41 2.72 0.02 -1.26 -0.85 135.00 136.30 3ijg s PRO 10 Ca 0.62 2.00 0.07 0.00 0.02 0.00 0.00 61.00 63.71 3ijg s PRO 10 Cb -0.36 -1.92 0.87 0.00 0.02 0.00 0.00 34.50 33.11 3ijg s PRO 10 CO 0.45 -1.41 2.05 -0.09 -0.33 0.00 0.00 177.00 177.66 3ijg h ARG 11 N 0.78 0.54 0.00 5.54 9.65 -1.93 -1.08 114.38 127.88 3ijg h ARG 11 Ca -0.51 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.33 3ijg h ARG 11 Cb 1.32 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3ijg h ARG 11 CO 0.54 0.36 -0.03 0.00 2.80 0.00 0.00 179.97 183.64 3ijg h ALA 12 N 1.73 1.08 -0.00 2.80 0.00 -2.03 -1.74 119.26 121.10 3ijg h ALA 12 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3ijg h ALA 12 Cb -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3ijg h ALA 12 CO -0.04 0.04 -0.19 0.43 0.00 0.00 0.00 179.25 179.49 3ijg n SER 13 N -3.24 0.20 -4.59 0.00 7.64 -0.41 -4.75 113.62 108.47 3ijg n SER 13 Ca -0.02 0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.62 3ijg n SER 13 Cb 0.19 -0.21 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 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 -2.98 4.54 0.55 0.44 1.01 -0.66 -4.73 120.40 118.58 3ijg s VAL 14 Ca 0.14 1.06 -0.21 0.00 0.00 0.00 0.00 61.98 62.96 3ijg s VAL 14 Cb 0.19 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3ijg s VAL 14 CO 0.59 -0.64 1.14 -2.65 0.00 0.00 0.00 175.10 173.53 3ijg n PRO 15 N 6.92 1.28 -2.25 2.72 -0.02 -1.26 -4.94 135.00 137.45 3ijg n PRO 15 Ca 0.07 0.48 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 3ijg n PRO 15 Cb 0.48 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 3ijg n PRO 15 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3ijg s ASP 16 N -1.04 6.53 0.00 2.55 1.11 -1.26 -2.14 116.67 122.42 3ijg s ASP 16 Ca 0.72 2.41 0.00 0.00 0.18 0.00 0.00 52.55 55.86 3ijg s ASP 16 Cb -0.44 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 40.93 3ijg s ASP 16 CO 0.49 -0.67 0.00 0.61 1.18 0.00 0.00 175.17 176.78 3ijg n GLY 17 N 0.68 0.76 0.28 0.21 0.00 -1.26 -4.90 105.19 100.95 3ijg n GLY 17 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 0.98 -0.74 1.61 3.57 -1.80 0.42 116.94 120.98 3ijg h PHE 18 Ca 0.00 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 3ijg h PHE 18 Cb 0.00 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3ijg h PHE 18 CO 0.00 0.76 0.35 -0.07 -2.23 0.00 0.00 178.31 177.12 3ijg h LEU 19 N 0.91 0.97 -0.66 0.59 3.38 -1.91 -0.73 115.31 117.86 3ijg h LEU 19 Ca 0.22 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 3ijg h LEU 19 Cb 0.19 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3ijg h LEU 19 CO -0.02 0.82 -0.13 -1.28 0.09 0.00 0.00 178.44 177.92 3ijg h SER 20 N 1.05 0.91 -0.33 -0.43 0.87 -1.79 -1.01 113.55 112.82 3ijg h SER 20 Ca 0.25 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3ijg h SER 20 Cb 0.12 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3ijg h SER 20 CO -0.03 1.04 -0.01 -0.08 -0.53 0.00 0.00 176.83 177.22 3ijg h GLU 21 N 0.81 0.58 -0.74 2.24 4.81 -0.41 -1.49 114.58 120.38 3ijg h GLU 21 Ca 0.13 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3ijg h GLU 21 Cb 0.67 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 3ijg h GLU 21 CO 0.05 0.72 0.46 -0.07 -0.73 0.00 0.00 179.01 179.44 3ijg h LEU 22 N 0.38 0.88 0.10 1.64 3.38 -1.01 0.55 115.31 121.22 3ijg h LEU 22 Ca 0.09 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3ijg h LEU 22 Cb 0.46 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ijg h LEU 22 CO 0.02 0.67 -0.05 0.74 0.09 0.00 0.00 178.44 179.90 3ijg h THR 23 N 1.01 0.89 -0.51 0.22 2.02 -0.97 0.07 112.91 115.64 3ijg h THR 23 Ca 0.27 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.33 3ijg h THR 23 Cb -0.06 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3ijg h THR 23 CO -0.05 0.00 -0.16 1.56 0.37 0.00 0.00 175.52 177.24 3ijg h GLN 24 N -0.14 1.01 -0.42 6.66 1.08 -1.08 -0.90 115.11 121.32 3ijg h GLN 24 Ca -0.01 -0.40 -0.09 0.00 -1.45 0.00 0.00 58.65 56.69 3ijg h GLN 24 Cb 0.12 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 3ijg h GLN 24 CO 0.01 1.09 -0.12 1.96 -0.95 0.00 0.00 178.83 180.82 3ijg h GLN 25 N 0.89 0.76 -0.00 1.46 1.08 -0.79 -2.07 115.11 116.43 3ijg h GLN 25 Ca 0.13 -0.25 -0.17 0.00 -1.45 0.00 0.00 58.65 56.90 3ijg h GLN 25 Cb 0.73 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.08 3ijg h GLN 25 CO 0.06 0.85 -0.80 -0.07 -0.95 0.00 0.00 178.83 177.92 3ijg h LEU 26 N 0.68 0.05 -0.29 1.46 3.38 -0.86 -1.17 115.31 118.56 3ijg h LEU 26 Ca 0.11 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3ijg h LEU 26 Cb 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3ijg h LEU 26 CO 0.04 0.83 0.06 0.00 0.09 0.00 0.00 178.44 179.45 3ijg h ALA 27 N 1.17 0.38 -0.20 1.53 0.00 -0.96 -0.62 119.26 120.56 3ijg h ALA 27 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3ijg h ALA 27 Cb 1.41 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3ijg h ALA 27 CO 0.11 0.06 0.08 0.37 0.00 0.00 0.00 179.25 179.87 3ijg h GLN 28 N 0.30 0.31 -0.72 0.00 -0.00 -1.32 0.15 115.11 113.83 3ijg h GLN 28 Ca 0.09 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.63 3ijg h GLN 28 Cb 0.32 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.72 3ijg h GLN 28 CO 0.00 0.38 0.24 0.00 0.00 0.00 0.00 178.83 179.45 3ijg h ALA 29 N 0.91 0.94 0.00 3.38 0.00 -1.11 -3.11 119.26 120.27 3ijg h ALA 29 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3ijg h ALA 29 Cb 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3ijg h ALA 29 CO -0.00 0.61 -0.74 1.79 0.00 0.00 0.00 179.25 180.90 3ijg h THR 30 N 1.05 0.00 0.00 0.00 1.35 -1.11 -3.48 112.91 110.72 3ijg h THR 30 Ca 0.23 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3ijg h THR 30 Cb 0.28 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3ijg h THR 30 CO -0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.87 3ijg n GLY 31 N 1.20 0.91 3.91 5.82 0.00 0.03 -4.96 105.19 112.09 3ijg n GLY 31 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.10 3.63 0.40 1.61 1.02 -1.14 -5.00 119.74 120.15 3ijg s LYS 32 Ca 0.00 0.01 -0.27 0.00 0.02 0.00 0.00 55.97 55.73 3ijg s LYS 32 Cb 0.00 -2.63 -0.10 0.00 -0.52 0.00 0.00 37.83 34.59 3ijg s LYS 32 CO 0.00 0.19 1.40 -2.14 -0.92 0.00 0.00 175.35 173.88 3ijg s PRO 33 N -3.65 3.99 0.58 -1.68 0.02 -1.26 -4.54 135.00 128.46 3ijg s PRO 33 Ca 0.44 2.39 0.27 0.00 0.02 0.00 0.00 61.00 64.12 3ijg s PRO 33 Cb -0.11 -2.85 1.69 0.00 0.02 0.00 0.00 34.50 33.26 3ijg s PRO 33 CO 0.31 -0.56 2.20 -1.00 -0.33 0.00 0.00 177.00 177.61 3ijg h PRO 34 N 2.79 0.00 -0.07 5.54 0.13 -1.91 -1.32 132.00 137.16 3ijg h PRO 34 Ca -0.50 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3ijg h PRO 34 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ijg h PRO 34 CO 0.63 0.00 0.09 1.96 -0.23 0.00 0.00 178.00 180.45 3ijg h GLN 35 N 0.00 0.00 -0.05 0.86 7.50 -1.97 -1.17 115.11 120.27 3ijg h GLN 35 Ca 0.03 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.18 3ijg h GLN 35 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.68 3ijg h GLN 35 CO -0.00 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.99 3ijg n TYR 36 N -3.80 0.03 -3.27 2.96 4.01 -0.50 -4.92 117.16 111.68 3ijg n TYR 36 Ca -0.01 -0.02 -0.39 0.00 -0.16 0.00 0.00 57.90 57.32 3ijg n TYR 36 Cb 0.18 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.97 5.13 -0.07 -0.72 -1.09 -0.45 -1.46 121.20 120.57 3ijg s ILE 37 Ca 0.30 0.91 0.03 0.00 -2.23 0.00 0.00 60.65 59.66 3ijg s ILE 37 Cb 0.20 -3.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 3ijg s ILE 37 CO 0.30 0.20 -0.16 0.00 -1.23 0.00 0.00 174.94 174.05 3ijg s ALA 38 N 1.51 2.56 0.02 9.38 0.00 -0.30 -4.97 121.76 129.95 3ijg s ALA 38 Ca 0.23 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.28 3ijg s ALA 38 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3ijg s ALA 38 CO 0.09 0.45 -0.16 0.08 0.00 0.00 0.00 175.76 176.23 3ijg s VAL 39 N -0.35 1.26 -0.08 0.00 1.01 -1.26 -0.87 120.40 120.12 3ijg s VAL 39 Ca 0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 3ijg s VAL 39 Cb -0.12 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.20 3ijg s VAL 39 CO 0.02 0.17 0.15 -2.28 0.00 0.00 0.00 175.10 173.16 3ijg s HIS 40 N -0.66 -0.16 -0.14 5.22 5.04 -0.07 -4.96 115.29 119.55 3ijg s HIS 40 Ca 0.04 0.58 0.01 0.00 -1.54 0.00 0.00 55.06 54.16 3ijg s HIS 40 Cb -0.07 -0.26 0.00 0.00 0.04 0.00 0.00 32.58 32.29 3ijg s HIS 40 CO 0.01 -0.26 -0.19 0.08 -2.34 0.00 0.00 174.74 172.04 3ijg s VAL 41 N 2.20 2.37 -0.37 0.89 1.01 -1.26 -0.42 120.40 124.81 3ijg s VAL 41 Ca 0.02 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3ijg s VAL 41 Cb -0.12 -1.97 0.11 0.00 0.00 0.00 0.00 36.38 34.40 3ijg s VAL 41 CO -0.06 0.53 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 3ijg s VAL 42 N 0.78 2.27 0.67 2.92 1.01 0.14 -4.97 120.40 123.21 3ijg s VAL 42 Ca -0.07 -2.50 -0.04 0.00 0.00 0.00 0.00 61.98 59.37 3ijg s VAL 42 Cb -0.16 -2.66 0.14 0.00 0.00 0.00 0.00 36.38 33.70 3ijg s VAL 42 CO -0.00 -0.65 0.91 -0.81 0.00 0.00 0.00 175.10 174.55 3ijg n PRO 43 N 4.04 -0.29 -2.64 2.72 -0.04 -1.26 -0.73 135.00 136.80 3ijg n PRO 43 Ca 0.04 -2.12 -0.17 0.00 -0.04 0.00 0.00 63.50 61.21 3ijg n PRO 43 Cb 0.40 -0.72 -0.00 0.00 -0.04 0.00 0.00 33.50 33.14 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 -3.14 -4.61 -4.85 3.54 8.00 -0.03 -4.83 116.55 110.63 3ijg n ASP 44 Ca 0.14 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 3ijg n ASP 44 Cb 0.49 -3.85 -0.04 0.00 -0.02 0.00 0.00 41.12 37.70 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 -5.27 3.93 -0.61 -1.24 -1.52 -0.05 -4.94 119.66 109.96 3ijg s GLN 45 Ca 0.10 0.70 -0.18 0.00 -1.95 0.00 0.00 55.36 54.03 3ijg s GLN 45 Cb -0.05 -2.32 0.11 0.00 -0.22 0.00 0.00 33.01 30.53 3ijg s GLN 45 CO 0.12 -0.03 0.70 -0.51 -0.25 0.00 0.00 175.29 175.32 3ijg s LEU 46 N -3.59 5.52 0.17 2.90 1.02 -1.26 -4.08 118.68 119.36 3ijg s LEU 46 Ca 0.55 -1.54 -0.07 0.00 0.02 0.00 0.00 54.13 53.08 3ijg s LEU 46 Cb -0.10 -2.29 -0.02 0.00 0.02 0.00 0.00 46.19 43.80 3ijg s LEU 46 CO 0.25 -1.07 0.25 0.00 0.02 0.00 0.00 176.35 175.81 3ijg s MET 47 N 2.48 1.15 0.02 1.70 0.23 -1.26 -5.09 119.30 118.53 3ijg s MET 47 Ca 0.11 -1.25 -0.03 0.00 -1.03 0.00 0.00 55.69 53.50 3ijg s MET 47 Cb -0.24 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.40 3ijg s MET 47 CO 0.05 -0.41 0.04 0.00 -2.03 0.00 0.00 175.02 172.67 3ijg s ALA 48 N -4.00 -0.01 -0.09 3.16 0.00 -1.26 -4.67 121.76 114.90 3ijg s ALA 48 Ca 0.20 -0.51 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 3ijg s ALA 48 Cb 0.04 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3ijg s ALA 48 CO 0.02 -0.22 -0.02 0.12 0.00 0.00 0.00 175.76 175.65 3ijg s PHE 49 N -1.84 0.98 -1.41 0.00 2.19 -0.20 -4.72 117.98 112.97 3ijg s PHE 49 Ca -0.12 -0.41 0.00 0.00 0.33 0.00 0.00 56.93 56.73 3ijg s PHE 49 Cb -0.06 -0.97 0.00 0.00 -1.31 0.00 0.00 43.02 40.68 3ijg s PHE 49 CO -0.02 -0.41 0.00 0.41 1.83 0.00 0.00 175.22 177.04 3ijg n GLY 50 N 5.07 0.89 2.30 13.12 0.00 -1.26 -1.74 105.19 123.57 3ijg n GLY 50 Ca -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.15 1.50 3.84 -0.02 0.00 -1.26 -5.03 105.19 103.06 3ijg n GLY 51 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 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 6.04 -0.05 1.61 0.15 -0.71 -5.01 113.70 112.50 3ijg s SER 52 Ca 0.00 0.29 0.16 0.00 0.70 0.00 0.00 55.95 57.10 3ijg s SER 52 Cb 0.00 -1.84 0.55 0.00 -1.71 0.00 0.00 66.02 63.02 3ijg s SER 52 CO 0.00 0.31 1.45 -1.54 1.20 0.00 0.00 173.24 174.66 3ijg n SER 53 N 1.37 3.56 -4.67 5.45 3.41 -1.26 -1.04 113.62 120.44 3ijg n SER 53 Ca -0.14 -2.19 -0.30 0.00 -0.26 0.00 0.00 58.87 55.98 3ijg n SER 53 Cb 0.53 -0.46 0.16 0.00 -0.26 0.00 0.00 64.21 64.18 3ijg n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ijg s GLU 54 N -1.52 0.92 0.14 4.33 0.41 -1.26 -4.86 118.70 116.86 3ijg s GLU 54 Ca 0.40 1.02 -0.34 0.00 -0.41 0.00 0.00 54.97 55.64 3ijg s GLU 54 Cb 0.24 -1.75 -0.16 0.00 -1.78 0.00 0.00 34.13 30.67 3ijg s GLU 54 CO 0.23 -2.53 1.23 -2.30 -0.49 0.00 0.00 175.26 171.39 3ijg n PRO 55 N -4.11 1.16 -3.93 0.39 -0.02 -1.26 -4.83 135.00 122.39 3ijg n PRO 55 Ca 0.08 0.41 -0.09 0.00 -2.02 0.00 0.00 63.50 61.88 3ijg n PRO 55 Cb 0.54 -1.96 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 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 -3.66 -1.13 -0.20 0.00 0.00 -0.65 -3.60 121.76 112.52 3ijg s ALA 57 Ca 0.18 1.14 0.02 0.00 0.00 0.00 0.00 51.96 53.30 3ijg s ALA 57 Cb -0.03 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.57 3ijg s ALA 57 CO 0.10 -0.24 -0.16 -0.51 0.00 0.00 0.00 175.76 174.94 3ijg s LEU 58 N -0.15 2.49 0.33 0.00 1.43 -0.04 -1.73 118.68 121.02 3ijg s LEU 58 Ca -0.03 -0.87 0.06 0.00 -1.03 0.00 0.00 54.13 52.25 3ijg s LEU 58 Cb -0.03 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.65 3ijg s LEU 58 CO 0.02 -0.07 0.00 0.00 0.23 0.00 0.00 176.35 176.54 3ijg s SER 60 N -3.53 -0.12 -0.14 0.00 0.01 -0.67 -0.90 113.70 108.34 3ijg s SER 60 Ca 0.34 0.16 -0.01 0.00 1.31 0.00 0.00 55.95 57.75 3ijg s SER 60 Cb 0.07 0.33 0.04 0.00 0.21 0.00 0.00 66.02 66.67 3ijg s SER 60 CO 0.15 -0.20 -0.03 -0.22 0.41 0.00 0.00 173.24 173.35 3ijg s LEU 61 N -0.53 1.26 -0.10 2.44 2.96 0.04 -1.36 118.68 123.38 3ijg s LEU 61 Ca -0.06 -0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 3ijg s LEU 61 Cb -0.04 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 3ijg s LEU 61 CO 0.01 -0.20 -0.04 -1.00 -1.32 0.00 0.00 176.35 173.80 3ijg s HIS 62 N 1.76 3.04 -0.15 5.38 3.76 -0.06 -0.94 115.29 128.08 3ijg s HIS 62 Ca 0.02 -0.03 -0.24 0.00 -0.15 0.00 0.00 55.06 54.66 3ijg s HIS 62 Cb -0.15 -1.82 0.06 0.00 1.11 0.00 0.00 32.58 31.78 3ijg s HIS 62 CO -0.07 0.25 0.60 0.45 -0.85 0.00 0.00 174.74 175.12 3ijg s SER 63 N -0.43 -0.59 -0.75 1.40 0.15 -0.65 -0.75 113.70 112.07 3ijg s SER 63 Ca 0.07 0.94 -0.24 0.00 0.70 0.00 0.00 55.95 57.42 3ijg s SER 63 Cb -0.12 0.92 0.06 0.00 -1.71 0.00 0.00 66.02 65.17 3ijg s SER 63 CO 0.02 -0.37 1.16 -0.63 1.20 0.00 0.00 173.24 174.62 3ijg s ILE 64 N -0.35 4.07 0.00 6.45 1.01 -1.26 -1.01 121.20 130.11 3ijg s ILE 64 Ca -0.05 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.42 3ijg s ILE 64 Cb -0.03 -4.83 0.00 0.00 0.01 0.00 0.00 42.46 37.61 3ijg s ILE 64 CO 0.04 -1.68 0.00 0.61 0.00 0.00 0.00 174.94 173.92 3ijg n GLY 65 N 5.52 -2.36 2.33 6.18 0.00 -1.26 -4.95 105.19 110.66 3ijg n GLY 65 Ca 0.05 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.34 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 -0.90 -1.44 -4.72 1.61 4.76 -1.26 -4.92 118.16 111.30 3ijg n LYS 66 Ca 0.00 0.80 -0.25 0.00 -2.87 0.00 0.00 58.31 55.99 3ijg n LYS 66 Cb 0.00 -5.22 -0.16 0.00 -1.84 0.00 0.00 35.03 27.81 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 -2.84 1.28 0.00 -0.18 -1.09 -1.26 -4.88 121.20 112.23 3ijg s ILE 67 Ca 0.01 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 57.82 3ijg s ILE 67 Cb -0.00 -1.12 0.00 0.00 -1.58 0.00 0.00 42.46 39.76 3ijg s ILE 67 CO 0.01 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 3ijg n GLY 68 N 3.36 -0.04 0.26 6.18 0.00 -1.26 -4.98 105.19 108.71 3ijg n GLY 68 Ca -0.19 -0.94 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 -1.31 0.95 -0.02 0.00 -2.00 0.42 103.07 101.11 3ijg h GLY 69 Ca 0.00 0.68 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 3ijg h GLY 69 CO 0.00 -0.38 0.16 0.00 0.00 0.00 0.00 176.54 176.32 3ijg h ALA 70 N -0.80 0.37 -0.78 3.60 0.00 -2.00 -2.35 119.26 117.30 3ijg h ALA 70 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3ijg h ALA 70 Cb 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3ijg h ALA 70 CO -0.24 -0.10 0.42 1.96 0.00 0.00 0.00 179.25 181.29 3ijg h GLN 71 N 0.35 1.10 -0.30 0.00 4.20 -1.91 -2.15 115.11 116.40 3ijg h GLN 71 Ca 0.10 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 3ijg h GLN 71 Cb 0.06 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.62 3ijg h GLN 71 CO -0.02 0.82 -0.13 -0.91 -0.67 0.00 0.00 178.83 177.93 3ijg h ASN 72 N 1.09 0.51 -0.57 1.46 2.35 -0.03 0.14 115.58 120.53 3ijg h ASN 72 Ca 0.27 -0.14 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3ijg h ASN 72 Cb 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 3ijg h ASN 72 CO -0.04 0.67 0.03 0.03 -1.65 0.00 0.00 177.43 176.47 3ijg h ARG 73 N 0.48 1.01 -0.33 0.81 3.08 -1.05 -0.57 114.38 117.81 3ijg h ARG 73 Ca 0.09 -0.30 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 3ijg h ARG 73 Cb 0.52 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3ijg h ARG 73 CO 0.03 0.98 -0.04 1.03 -1.07 0.00 0.00 179.97 180.90 3ijg h SER 74 N 0.94 0.61 -0.87 7.04 0.87 -0.74 -2.39 113.55 119.00 3ijg h SER 74 Ca 0.17 -0.34 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 3ijg h SER 74 Cb 0.50 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3ijg h SER 74 CO 0.02 0.80 0.52 1.88 -0.53 0.00 0.00 176.83 179.52 3ijg h TYR 75 N 0.40 1.16 -0.69 2.24 0.05 -0.53 -1.91 116.97 117.70 3ijg h TYR 75 Ca 0.09 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 3ijg h TYR 75 Cb 0.51 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 3ijg h TYR 75 CO 0.04 0.78 0.36 0.77 -1.05 0.00 0.00 178.16 179.06 3ijg h SER 76 N 1.21 0.88 -0.40 3.88 0.02 -0.95 0.13 113.55 118.32 3ijg h SER 76 Ca 0.31 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3ijg h SER 76 Cb -0.03 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3ijg h SER 76 CO -0.06 0.75 0.11 0.50 -1.14 0.00 0.00 176.83 176.99 3ijg h LYS 77 N 0.96 0.64 0.16 3.45 3.64 -1.14 -0.05 116.57 124.22 3ijg h LYS 77 Ca 0.24 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ijg h LYS 77 Cb 0.08 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3ijg h LYS 77 CO -0.03 0.65 -0.08 1.25 -2.27 0.00 0.00 179.45 178.97 3ijg h LEU 78 N 0.51 -0.18 -0.35 5.20 5.85 -1.01 -1.64 115.31 123.67 3ijg h LEU 78 Ca 0.13 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.65 3ijg h LEU 78 Cb 0.29 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 3ijg h LEU 78 CO -0.00 -0.05 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.67 3ijg h LEU 79 N -0.30 0.88 -0.98 2.25 3.38 -0.73 -1.86 115.31 117.95 3ijg h LEU 79 Ca -0.02 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 3ijg h LEU 79 Cb 0.24 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3ijg h LEU 79 CO 0.04 1.16 0.08 0.00 0.09 0.00 0.00 178.44 179.81 3ijg h GLY 81 N 0.98 0.80 0.97 0.00 0.00 -1.13 -0.20 103.07 104.49 3ijg h GLY 81 Ca 0.17 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3ijg h GLY 81 CO 0.01 0.38 -0.03 1.41 0.00 0.00 0.00 176.54 178.30 3ijg h LEU 82 N 0.70 0.76 -1.22 3.11 3.38 -0.92 -1.16 115.31 119.94 3ijg h LEU 82 Ca 0.18 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 3ijg h LEU 82 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3ijg h LEU 82 CO -0.02 0.90 -0.14 -0.07 0.09 0.00 0.00 178.44 179.19 3ijg h LEU 83 N 0.59 0.35 -0.03 1.67 3.38 -0.88 0.16 115.31 120.55 3ijg h LEU 83 Ca 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3ijg h LEU 83 Cb 0.53 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ijg h LEU 83 CO 0.03 0.52 -0.09 0.00 0.09 0.00 0.00 178.44 178.99 3ijg h ALA 84 N 1.52 0.05 -0.29 1.53 0.00 -0.85 -0.93 119.26 120.29 3ijg h ALA 84 Ca 0.06 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3ijg h ALA 84 Cb 0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3ijg h ALA 84 CO 0.03 -0.07 -0.20 1.05 0.00 0.00 0.00 179.25 180.06 3ijg h GLU 85 N -0.48 0.65 0.15 0.00 9.09 -1.13 -1.62 114.58 121.24 3ijg h GLU 85 Ca -0.00 -0.31 -0.36 0.00 0.05 0.00 0.00 59.36 58.74 3ijg h GLU 85 Cb 0.72 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.81 3ijg h GLU 85 CO 0.02 0.90 -1.88 0.00 0.05 0.00 0.00 179.01 178.10 3ijg h ARG 86 N 0.40 0.31 -0.02 1.06 2.47 -1.09 -3.40 114.38 114.11 3ijg h ARG 86 Ca 0.06 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 3ijg h ARG 86 Cb 0.74 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 3ijg h ARG 86 CO 0.05 1.25 -0.19 1.28 0.56 0.00 0.00 179.97 182.93 3ijg n LEU 87 N -3.55 2.08 -2.73 3.04 4.77 -0.43 -4.63 117.00 115.55 3ijg n LEU 87 Ca -0.29 -0.88 -0.20 0.00 -0.03 0.00 0.00 56.01 54.61 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 0.46 0.38 -0.02 0.54 -1.33 0.00 0.00 177.39 177.42 3ijg n ARG 88 N 0.43 -4.30 -3.79 3.23 5.12 -0.61 -4.95 116.66 111.79 3ijg n ARG 88 Ca 0.09 0.84 -0.36 0.00 -1.93 0.00 0.00 57.85 56.49 3ijg n ARG 88 Cb 0.40 -5.53 -0.10 0.00 -1.16 0.00 0.00 32.46 26.07 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 -3.12 4.95 0.29 0.55 1.01 -0.94 -4.95 121.20 119.00 3ijg s ILE 89 Ca 0.26 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.65 3ijg s ILE 89 Cb -0.11 -3.29 -0.11 0.00 0.01 0.00 0.00 42.46 38.96 3ijg s ILE 89 CO 0.32 0.37 1.47 -0.44 0.00 0.00 0.00 174.94 176.66 3ijg s SER 90 N 1.01 6.55 0.49 3.58 0.01 -1.26 -3.43 113.70 120.65 3ijg s SER 90 Ca 0.06 2.80 0.21 0.00 1.31 0.00 0.00 55.95 60.32 3ijg s SER 90 Cb -0.14 -2.64 1.26 0.00 0.21 0.00 0.00 66.02 64.72 3ijg s SER 90 CO 0.04 -0.76 1.98 -0.65 0.41 0.00 0.00 173.24 174.26 3ijg h PRO 91 N 4.50 0.15 -0.03 12.44 0.11 -1.96 -0.56 132.00 146.65 3ijg h PRO 91 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3ijg h PRO 91 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3ijg h PRO 91 CO 0.75 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 3ijg n ASP 92 N -4.42 0.15 -0.84 -2.05 5.68 -1.26 -2.71 116.55 111.10 3ijg n ASP 92 Ca 0.10 -1.96 0.05 0.00 -0.50 0.00 0.00 54.79 52.48 3ijg n ASP 92 Cb 0.54 -0.02 0.14 0.00 -1.14 0.00 0.00 41.12 40.63 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 -0.44 1.00 -4.61 0.11 1.74 -0.22 -5.02 116.66 109.22 3ijg n ARG 93 Ca 0.02 -2.74 -0.24 0.00 -0.77 0.00 0.00 57.85 54.12 3ijg n ARG 93 Cb 0.03 -1.05 -0.16 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.06 1.13 -0.03 1.55 1.01 -1.10 -1.64 120.40 119.26 3ijg s VAL 94 Ca 0.35 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.88 3ijg s VAL 94 Cb 0.35 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 3ijg s VAL 94 CO -0.09 0.34 -0.24 -0.31 0.00 0.00 0.00 175.10 174.80 3ijg s TYR 95 N 0.33 2.23 -0.15 5.22 2.02 -0.70 -5.00 117.35 121.30 3ijg s TYR 95 Ca -0.08 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.11 3ijg s TYR 95 Cb -0.12 -1.44 0.04 0.00 -0.40 0.00 0.00 41.96 40.04 3ijg s TYR 95 CO 0.02 -0.09 0.00 0.42 -1.57 0.00 0.00 175.55 174.33 3ijg s ILE 96 N -0.44 0.64 -0.10 2.71 1.01 -1.26 -0.15 121.20 123.61 3ijg s ILE 96 Ca 0.05 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 3ijg s ILE 96 Cb -0.11 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3ijg s ILE 96 CO 0.00 0.03 0.45 0.20 0.00 0.00 0.00 174.94 175.62 3ijg s ASN 97 N 1.83 6.68 -0.11 3.58 0.01 -0.08 -4.94 114.94 121.92 3ijg s ASN 97 Ca 0.01 0.81 -0.03 0.00 -0.71 0.00 0.00 52.86 52.94 3ijg s ASN 97 Cb -0.15 -2.27 -0.03 0.00 0.41 0.00 0.00 41.25 39.20 3ijg s ASN 97 CO -0.07 0.05 0.01 -0.31 -1.51 0.00 0.00 177.10 175.28 3ijg s TYR 98 N 0.38 3.18 -0.10 2.20 1.51 -1.26 -0.78 117.35 122.48 3ijg s TYR 98 Ca 0.25 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.45 3ijg s TYR 98 Cb -0.15 -1.86 0.02 0.00 -0.11 0.00 0.00 41.96 39.86 3ijg s TYR 98 CO 0.10 0.38 -0.08 0.71 -1.11 0.00 0.00 175.55 175.55 3ijg s TYR 99 N -0.57 1.44 -0.53 2.71 1.51 -0.11 -4.96 117.35 116.84 3ijg s TYR 99 Ca 0.10 -0.67 -0.18 0.00 -1.01 0.00 0.00 57.07 55.30 3ijg s TYR 99 Cb -0.12 -1.17 0.08 0.00 -0.11 0.00 0.00 41.96 40.64 3ijg s TYR 99 CO 0.02 -0.45 0.61 0.34 -1.11 0.00 0.00 175.55 174.96 3ijg s ASP 100 N 1.45 6.20 0.15 2.29 3.68 -1.26 -1.63 116.67 127.54 3ijg s ASP 100 Ca 0.00 -1.20 -0.22 0.00 2.13 0.00 0.00 52.55 53.26 3ijg s ASP 100 Cb -0.13 -2.27 -0.08 0.00 -1.45 0.00 0.00 42.92 38.99 3ijg s ASP 100 CO -0.05 -0.93 0.70 -0.04 0.13 0.00 0.00 175.17 174.98 3ijg s MET 101 N 2.44 4.39 0.29 4.34 -1.94 -0.18 -4.89 119.30 123.75 3ijg s MET 101 Ca 0.12 0.97 -0.28 0.00 -1.71 0.00 0.00 55.69 54.78 3ijg s MET 101 Cb -0.22 -3.18 -0.09 0.00 2.01 0.00 0.00 34.83 33.35 3ijg s MET 101 CO 0.09 0.56 0.99 -0.80 -0.01 0.00 0.00 175.02 175.84 3ijg s ASN 102 N -1.24 7.40 0.41 3.03 0.01 -1.26 -4.16 114.94 119.13 3ijg s ASN 102 Ca 0.35 2.00 0.12 0.00 -0.71 0.00 0.00 52.86 54.62 3ijg s ASN 102 Cb -0.21 -2.60 0.96 0.00 0.41 0.00 0.00 41.25 39.81 3ijg s ASN 102 CO 0.23 -0.03 1.96 0.00 -1.51 0.00 0.00 177.10 177.75 3ijg h ALA 103 N 3.66 1.95 0.00 0.60 0.00 -1.94 -0.40 119.26 123.13 3ijg h ALA 103 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3ijg h ALA 103 Cb 1.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3ijg h ALA 103 CO 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3ijg h ALA 104 N 1.67 1.00 -0.56 0.00 0.00 -1.92 -2.75 119.26 116.70 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 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ijg h ALA 104 CO -0.09 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.25 3ijg n ASN 105 N -2.66 4.66 -3.97 0.00 3.02 -0.16 -4.82 115.26 111.33 3ijg n ASN 105 Ca 0.01 -2.57 -0.31 0.00 -0.03 0.00 0.00 54.58 51.68 3ijg n ASN 105 Cb 0.23 -0.56 -0.15 0.00 -0.61 0.00 0.00 39.78 38.68 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 -2.06 1.74 0.29 2.41 1.01 -1.06 -4.91 120.40 117.81 3ijg s VAL 106 Ca 0.48 -1.46 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 3ijg s VAL 106 Cb 0.33 -2.01 -0.09 0.00 0.00 0.00 0.00 36.38 34.61 3ijg s VAL 106 CO 0.20 -0.17 0.75 -0.83 0.00 0.00 0.00 175.10 175.05 3ijg s GLY 107 N 1.28 2.47 -0.29 4.51 0.00 -1.26 -2.08 107.32 111.95 3ijg s GLY 107 Ca -0.04 0.12 -0.24 0.00 0.00 0.00 0.00 44.72 44.56 3ijg s GLY 107 CO -0.07 0.40 1.15 0.86 0.00 0.00 0.00 173.10 175.44 3ijg s TRP 108 N -1.79 -0.36 -1.26 1.90 -0.00 0.26 -4.94 118.94 112.75 3ijg s TRP 108 Ca 0.50 0.84 -0.15 0.00 -0.00 0.00 0.00 56.10 57.30 3ijg s TRP 108 Cb -0.13 0.39 0.00 0.00 -0.00 0.00 0.00 33.47 33.73 3ijg s TRP 108 CO 0.19 -0.17 0.61 -1.71 -0.00 0.00 0.00 176.95 175.87 3ijg n ASN 109 N 2.19 -3.08 0.00 5.86 5.15 -1.26 -1.69 115.26 122.44 3ijg n ASN 109 Ca -0.12 -1.06 0.00 0.00 -0.60 0.00 0.00 54.58 52.79 3ijg n ASN 109 Cb 0.56 -2.95 0.00 0.00 -0.53 0.00 0.00 39.78 36.86 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 -2.72 -4.26 0.00 1.20 3.02 -1.26 -4.88 115.26 106.36 3ijg n ASN 110 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3ijg n ASN 110 Cb 0.63 -2.43 0.00 0.00 -0.61 0.00 0.00 39.78 37.36 3ijg n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3ijg n SER 111 N -0.58 0.00 -4.10 6.41 2.88 -0.68 -5.19 113.62 112.36 3ijg n SER 111 Ca 0.00 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.31 3ijg n SER 111 Cb 0.29 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.66 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 -0.71 0.59 -1.59 2.46 -4.23 -1.26 -0.58 115.64 110.32 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 -2.46 0.44 0.00 1.34 0.00 0.00 72.50 71.82 3ijg s THR 112 CO 0.00 0.00 1.86 0.49 -0.54 0.00 0.00 174.62 176.43 3ijg n PHE 113 N -0.78 0.00 0.35 3.99 3.72 -0.88 -4.83 117.46 119.02 3ijg n PHE 113 Ca -0.03 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.40 3ijg n PHE 113 Cb 0.65 -0.20 0.17 0.00 -0.94 0.00 0.00 39.48 39.15 3ijg n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71