#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ijj s MET 2 N 0.00 3.63 -0.12 0.54 1.75 -0.25 -1.32 119.30 123.54 3ijj s MET 2 Ca 0.00 -0.53 0.02 0.00 -1.25 0.00 0.00 55.69 53.94 3ijj s MET 2 Cb 0.00 -2.98 0.01 0.00 2.84 0.00 0.00 34.83 34.70 3ijj s MET 2 CO 0.00 0.13 -0.19 0.12 -0.65 0.00 0.00 175.02 174.43 3ijj s PHE 3 N 0.68 2.28 -0.07 4.11 5.36 0.06 -1.02 117.98 129.38 3ijj s PHE 3 Ca -0.01 -1.08 0.05 0.00 -0.96 0.00 0.00 56.93 54.92 3ijj s PHE 3 Cb -0.14 -1.59 -0.00 0.00 -0.34 0.00 0.00 43.02 40.94 3ijj s PHE 3 CO 0.02 -0.51 -0.24 0.42 -1.46 0.00 0.00 175.22 173.45 3ijj s ILE 4 N 0.83 1.97 -0.15 3.12 1.01 -0.48 -1.08 121.20 126.43 3ijj s ILE 4 Ca -0.09 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.58 3ijj s ILE 4 Cb -0.16 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.65 3ijj s ILE 4 CO -0.00 0.55 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 3ijj s VAL 5 N 0.09 1.77 -0.16 2.92 1.01 0.02 -1.35 120.40 124.71 3ijj s VAL 5 Ca -0.10 -0.78 -0.04 0.00 0.00 0.00 0.00 61.98 61.06 3ijj s VAL 5 Cb -0.15 -1.62 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3ijj s VAL 5 CO 0.06 0.49 -0.02 0.20 0.00 0.00 0.00 175.10 175.83 3ijj s ASN 6 N 1.23 4.92 0.03 3.32 0.01 -0.04 -0.14 114.94 124.27 3ijj s ASN 6 Ca 0.01 -0.09 -0.13 0.00 -0.71 0.00 0.00 52.86 51.93 3ijj s ASN 6 Cb -0.14 -1.79 0.02 0.00 0.41 0.00 0.00 41.25 39.75 3ijj s ASN 6 CO -0.08 0.18 0.29 0.28 -1.51 0.00 0.00 177.10 176.26 3ijj s THR 7 N 0.31 0.08 -1.30 1.60 -1.32 -0.15 -0.80 115.64 114.07 3ijj s THR 7 Ca -0.03 -0.65 0.28 0.00 -1.21 0.00 0.00 61.69 60.09 3ijj s THR 7 Cb -0.14 -0.83 0.31 0.00 -1.51 0.00 0.00 72.50 70.32 3ijj s THR 7 CO 0.03 -0.36 1.81 -0.46 -2.21 0.00 0.00 174.62 173.43 3ijj n ASN 8 N 0.80 0.29 -4.76 8.08 6.94 -1.23 -1.03 115.26 124.35 3ijj n ASN 8 Ca -0.20 -0.14 -0.38 0.00 -0.02 0.00 0.00 54.58 53.84 3ijj n ASN 8 Cb 0.58 -0.16 0.01 0.00 -2.36 0.00 0.00 39.78 37.85 3ijj n ASN 8 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3ijj s VAL 9 N -2.75 2.72 0.58 3.53 -7.23 -1.26 -4.08 120.40 111.91 3ijj s VAL 9 Ca 0.21 0.55 -0.18 0.00 -1.81 0.00 0.00 61.98 60.74 3ijj s VAL 9 Cb 0.19 -3.28 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 3ijj s VAL 9 CO 0.54 0.00 1.15 -2.84 -0.31 0.00 0.00 175.10 173.64 3ijj s PRO 10 N -2.72 3.12 0.31 4.82 0.02 -1.26 -0.87 135.00 138.41 3ijj s PRO 10 Ca 0.66 1.64 0.06 0.00 0.02 0.00 0.00 61.00 63.38 3ijj s PRO 10 Cb -0.33 -1.97 0.73 0.00 0.02 0.00 0.00 34.50 32.94 3ijj s PRO 10 CO 0.40 -1.05 1.81 -0.09 -0.33 0.00 0.00 177.00 177.75 3ijj h ARG 11 N 0.88 0.77 0.00 5.54 9.65 -1.93 -1.23 114.38 128.06 3ijj h ARG 11 Ca -0.50 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.33 3ijj h ARG 11 Cb 1.27 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.68 3ijj h ARG 11 CO 0.56 0.51 -0.02 0.00 2.80 0.00 0.00 179.97 183.82 3ijj h ALA 12 N 1.60 1.03 -0.00 2.80 0.00 -2.03 -1.92 119.26 120.74 3ijj h ALA 12 Ca 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3ijj h ALA 12 Cb 0.78 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3ijj h ALA 12 CO -0.30 0.02 -0.28 -1.13 0.00 0.00 0.00 179.25 177.56 3ijj n SER 13 N -3.15 0.66 -4.62 0.00 3.41 -0.47 -4.76 113.62 104.68 3ijj n SER 13 Ca -0.01 -0.51 -0.43 0.00 -0.26 0.00 0.00 58.87 57.66 3ijj n SER 13 Cb 0.20 0.07 -0.02 0.00 -0.26 0.00 0.00 64.21 64.19 3ijj n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ijj s VAL 14 N -2.69 4.47 0.54 -3.33 1.01 -0.72 -4.73 120.40 114.96 3ijj s VAL 14 Ca 0.20 1.51 -0.21 0.00 0.00 0.00 0.00 61.98 63.48 3ijj s VAL 14 Cb 0.19 -4.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3ijj s VAL 14 CO 0.56 -0.59 1.29 -2.84 0.00 0.00 0.00 175.10 173.52 3ijj s PRO 15 N 3.76 3.21 0.23 2.72 0.02 -1.26 -4.94 135.00 138.73 3ijj s PRO 15 Ca 0.44 2.06 -0.32 0.00 0.02 0.00 0.00 61.00 63.20 3ijj s PRO 15 Cb -0.11 -2.21 -0.12 0.00 0.02 0.00 0.00 34.50 32.08 3ijj s PRO 15 CO 0.19 -1.08 1.63 -0.25 -0.33 0.00 0.00 177.00 177.16 3ijj n ASP 16 N -1.06 3.70 0.00 2.53 10.43 -1.26 -1.98 116.55 128.90 3ijj n ASP 16 Ca 0.11 1.10 0.00 0.00 2.57 0.00 0.00 54.79 58.57 3ijj n ASP 16 Cb 0.47 -1.54 0.00 0.00 1.84 0.00 0.00 41.12 41.88 3ijj n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3ijj n GLY 17 N 3.13 0.75 0.26 0.44 0.00 -1.26 -4.96 105.19 103.55 3ijj n GLY 17 Ca 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 3ijj n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3ijj h PHE 18 N 0.00 0.79 -0.64 1.61 3.57 -1.76 -0.21 116.94 120.29 3ijj h PHE 18 Ca 0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3ijj h PHE 18 Cb 0.00 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 3ijj h PHE 18 CO 0.00 0.48 0.36 -0.07 -2.23 0.00 0.00 178.31 176.86 3ijj h LEU 19 N 0.84 0.80 -0.64 0.59 3.38 -1.93 -0.50 115.31 117.85 3ijj h LEU 19 Ca 0.24 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3ijj h LEU 19 Cb -0.06 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ijj h LEU 19 CO -0.07 0.65 0.05 -1.28 0.09 0.00 0.00 178.44 177.89 3ijj h SER 20 N 0.88 1.06 -0.35 -0.43 0.87 -1.91 -0.92 113.55 112.75 3ijj h SER 20 Ca 0.23 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3ijj h SER 20 Cb 0.02 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.68 3ijj h SER 20 CO -0.04 1.08 0.17 -0.08 -0.53 0.00 0.00 176.83 177.44 3ijj h GLU 21 N 1.01 0.51 -0.63 2.24 4.81 -0.64 -0.87 114.58 121.00 3ijj h GLU 21 Ca 0.19 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.39 3ijj h GLU 21 Cb 0.51 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.75 3ijj h GLU 21 CO 0.02 0.46 0.36 -0.07 -0.73 0.00 0.00 179.01 179.05 3ijj h LEU 22 N 0.44 0.56 -0.09 1.64 3.38 -0.97 -0.28 115.31 120.00 3ijj h LEU 22 Ca 0.12 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.12 3ijj h LEU 22 Cb 0.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3ijj h LEU 22 CO -0.02 0.38 0.01 0.74 0.09 0.00 0.00 178.44 179.64 3ijj h THR 23 N 0.70 0.95 -0.31 0.22 2.02 -0.78 -0.23 112.91 115.48 3ijj h THR 23 Ca 0.27 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.33 3ijj h THR 23 Cb 0.11 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3ijj h THR 23 CO -0.15 0.01 -0.21 1.56 0.37 0.00 0.00 175.52 177.10 3ijj h GLN 24 N 0.04 0.70 -0.76 6.66 1.08 -0.99 -1.35 115.11 120.49 3ijj h GLN 24 Ca 0.04 -0.33 -0.06 0.00 -1.45 0.00 0.00 58.65 56.85 3ijj h GLN 24 Cb 0.04 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3ijj h GLN 24 CO -0.06 0.94 0.24 1.96 -0.95 0.00 0.00 178.83 180.96 3ijj h GLN 25 N 0.45 1.18 -0.26 1.46 1.08 -0.96 -1.98 115.11 116.07 3ijj h GLN 25 Ca 0.06 -0.25 -0.12 0.00 -1.45 0.00 0.00 58.65 56.89 3ijj h GLN 25 Cb 0.76 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 28.01 3ijj h GLN 25 CO 0.06 0.99 -0.35 -0.07 -0.95 0.00 0.00 178.83 178.51 3ijj h LEU 26 N 1.13 0.61 -0.36 1.46 3.38 -0.97 -0.65 115.31 119.91 3ijj h LEU 26 Ca 0.24 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3ijj h LEU 26 Cb 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3ijj h LEU 26 CO -0.01 0.91 0.23 0.00 0.09 0.00 0.00 178.44 179.66 3ijj h ALA 27 N 1.13 0.45 -0.53 1.53 0.00 -0.95 -0.01 119.26 120.88 3ijj h ALA 27 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3ijj h ALA 27 Cb 0.84 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3ijj h ALA 27 CO 0.07 -0.10 0.10 -0.56 0.00 0.00 0.00 179.25 178.75 3ijj h GLN 28 N 0.47 0.87 -0.36 0.00 -0.00 -1.22 -0.24 115.11 114.63 3ijj h GLN 28 Ca 0.13 -0.23 -0.15 0.00 -0.00 0.00 0.00 58.65 58.41 3ijj h GLN 28 Cb -0.04 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.33 3ijj h GLN 28 CO -0.04 0.84 -0.37 0.00 -0.00 0.00 0.00 178.83 179.26 3ijj h ALA 29 N 0.99 0.53 0.00 0.06 0.00 -0.87 -3.26 119.26 116.71 3ijj h ALA 29 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3ijj h ALA 29 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3ijj h ALA 29 CO 0.01 0.62 -0.94 0.25 0.00 0.00 0.00 179.25 179.19 3ijj n THR 30 N -4.11 0.33 -0.97 0.00 -2.24 -0.04 -4.95 114.28 102.30 3ijj n THR 30 Ca -0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3ijj n THR 30 Cb 0.53 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3ijj n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ijj n GLY 31 N 1.31 0.54 3.87 3.38 0.00 -0.11 -4.95 105.19 109.22 3ijj n GLY 31 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3ijj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ijj s LYS 32 N -0.33 3.85 0.39 1.61 -0.14 -1.15 -5.01 119.74 118.96 3ijj s LYS 32 Ca 0.00 0.44 -0.26 0.00 -1.36 0.00 0.00 55.97 54.79 3ijj s LYS 32 Cb 0.00 -2.50 -0.09 0.00 -1.68 0.00 0.00 37.83 33.56 3ijj s LYS 32 CO 0.00 0.15 1.23 -2.14 -0.76 0.00 0.00 175.35 173.83 3ijj s PRO 33 N -3.25 4.05 0.57 -1.68 0.02 -1.26 -4.52 135.00 128.93 3ijj s PRO 33 Ca 0.50 2.00 0.26 0.00 0.02 0.00 0.00 61.00 63.79 3ijj s PRO 33 Cb -0.11 -2.76 1.62 0.00 0.02 0.00 0.00 34.50 33.28 3ijj s PRO 33 CO 0.24 -0.37 2.16 -1.00 -0.33 0.00 0.00 177.00 177.70 3ijj h PRO 34 N 2.75 0.00 0.00 5.54 0.13 -1.92 -1.31 132.00 137.19 3ijj h PRO 34 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3ijj h PRO 34 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ijj h PRO 34 CO 0.63 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.36 3ijj h GLN 35 N 0.00 0.00 -0.02 0.86 7.50 -1.98 -1.68 115.11 119.80 3ijj h GLN 35 Ca 0.05 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.20 3ijj h GLN 35 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.77 3ijj h GLN 35 CO -0.00 0.00 -0.36 0.66 -1.50 0.00 0.00 178.83 177.63 3ijj n TYR 36 N -2.98 0.00 -3.25 2.96 4.01 -0.49 -4.95 117.16 112.46 3ijj n TYR 36 Ca -0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 3ijj n TYR 36 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 3ijj n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3ijj s ILE 37 N -2.17 5.14 -0.05 -0.72 1.01 -0.63 -3.37 121.20 120.39 3ijj s ILE 37 Ca 0.18 1.04 0.04 0.00 0.00 0.00 0.00 60.65 61.90 3ijj s ILE 37 Cb 0.16 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 3ijj s ILE 37 CO 0.47 0.26 -0.16 0.00 0.00 0.00 0.00 174.94 175.51 3ijj s ALA 38 N 1.01 2.59 0.00 9.38 0.00 -0.43 -5.01 121.76 129.31 3ijj s ALA 38 Ca 0.27 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3ijj s ALA 38 Cb -0.16 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 3ijj s ALA 38 CO 0.11 0.52 -0.12 0.08 0.00 0.00 0.00 175.76 176.35 3ijj s VAL 39 N -0.59 0.95 -0.09 0.00 1.01 -1.26 -0.76 120.40 119.66 3ijj s VAL 39 Ca 0.09 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3ijj s VAL 39 Cb -0.11 -0.82 0.05 0.00 0.00 0.00 0.00 36.38 35.50 3ijj s VAL 39 CO 0.01 0.17 0.18 -2.28 0.00 0.00 0.00 175.10 173.18 3ijj s HIS 40 N -0.45 -0.23 -0.11 5.22 2.46 -0.24 -4.97 115.29 116.97 3ijj s HIS 40 Ca 0.03 0.68 0.03 0.00 0.47 0.00 0.00 55.06 56.27 3ijj s HIS 40 Cb -0.05 -0.22 -0.00 0.00 -0.13 0.00 0.00 32.58 32.17 3ijj s HIS 40 CO 0.00 -0.29 -0.21 0.08 -2.47 0.00 0.00 174.74 171.85 3ijj s VAL 41 N 2.32 2.27 -0.39 0.89 1.01 -1.26 -0.80 120.40 124.44 3ijj s VAL 41 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.09 3ijj s VAL 41 Cb -0.12 -1.89 0.11 0.00 0.00 0.00 0.00 36.38 34.48 3ijj s VAL 41 CO -0.06 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.04 3ijj s VAL 42 N 0.42 1.74 0.84 2.92 1.01 0.80 -4.98 120.40 123.14 3ijj s VAL 42 Ca -0.16 -2.31 -0.08 0.00 0.00 0.00 0.00 61.98 59.43 3ijj s VAL 42 Cb -0.17 -2.26 0.17 0.00 0.00 0.00 0.00 36.38 34.11 3ijj s VAL 42 CO 0.07 -0.73 1.16 -2.16 0.00 0.00 0.00 175.10 173.44 3ijj s PRO 43 N 0.76 1.15 -1.79 2.72 0.04 -1.26 -0.97 135.00 135.64 3ijj s PRO 43 Ca 0.13 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.38 3ijj s PRO 43 Cb -0.21 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3ijj s PRO 43 CO -0.09 -1.94 0.00 -0.25 0.04 0.00 0.00 177.00 174.76 3ijj n ASP 44 N -3.30 -5.62 -4.83 6.66 8.00 -0.05 -4.82 116.55 112.59 3ijj n ASP 44 Ca 0.15 0.10 -0.33 0.00 0.71 0.00 0.00 54.79 55.42 3ijj n ASP 44 Cb 0.60 -4.70 -0.07 0.00 -0.02 0.00 0.00 41.12 36.93 3ijj n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3ijj s GLN 45 N -4.69 4.14 -0.71 -1.24 -1.52 -0.19 -4.93 119.66 110.51 3ijj s GLN 45 Ca 0.00 0.95 -0.24 0.00 -1.95 0.00 0.00 55.36 54.12 3ijj s GLN 45 Cb 0.00 -2.27 0.06 0.00 -0.22 0.00 0.00 33.01 30.58 3ijj s GLN 45 CO 0.00 0.04 1.08 -0.51 -0.25 0.00 0.00 175.29 175.65 3ijj s LEU 46 N -3.11 4.04 0.09 2.90 1.43 -1.26 -4.10 118.68 118.67 3ijj s LEU 46 Ca 0.59 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3ijj s LEU 46 Cb -0.09 -2.46 -0.00 0.00 0.03 0.00 0.00 46.19 43.66 3ijj s LEU 46 CO 0.15 -1.54 0.20 0.00 0.23 0.00 0.00 176.35 175.38 3ijj s MET 47 N 4.51 0.87 0.03 1.70 0.23 -1.26 -5.08 119.30 120.30 3ijj s MET 47 Ca 0.27 -0.97 -0.01 0.00 -1.03 0.00 0.00 55.69 53.95 3ijj s MET 47 Cb -0.13 0.35 -0.03 0.00 -1.53 0.00 0.00 34.83 33.49 3ijj s MET 47 CO 0.10 -0.28 -0.01 0.00 -2.03 0.00 0.00 175.02 172.80 3ijj s ALA 48 N -3.87 0.22 -0.07 3.16 0.00 -1.26 -4.63 121.76 115.30 3ijj s ALA 48 Ca 0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 3ijj s ALA 48 Cb 0.05 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.40 3ijj s ALA 48 CO -0.10 -0.25 0.02 0.12 0.00 0.00 0.00 175.76 175.54 3ijj s PHE 49 N -2.40 0.57 -1.73 0.00 2.19 -0.31 -4.75 117.98 111.54 3ijj s PHE 49 Ca -0.07 -0.12 0.00 0.00 0.33 0.00 0.00 56.93 57.06 3ijj s PHE 49 Cb -0.03 -0.75 0.00 0.00 -1.31 0.00 0.00 43.02 40.93 3ijj s PHE 49 CO -0.04 -0.32 0.00 0.41 1.83 0.00 0.00 175.22 177.10 3ijj n GLY 50 N 5.17 0.18 2.49 13.12 0.00 -1.26 -1.86 105.19 123.03 3ijj n GLY 50 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3ijj n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ijj n GLY 51 N -0.92 1.26 3.73 -0.02 0.00 -1.26 -5.02 105.19 102.96 3ijj n GLY 51 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3ijj n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ijj s SER 52 N -3.14 5.53 -0.09 1.61 0.15 -0.78 -5.01 113.70 111.97 3ijj s SER 52 Ca 0.00 0.23 0.16 0.00 0.70 0.00 0.00 55.95 57.04 3ijj s SER 52 Cb 0.00 -1.62 0.62 0.00 -1.71 0.00 0.00 66.02 63.31 3ijj s SER 52 CO 0.00 0.39 1.51 -1.54 1.20 0.00 0.00 173.24 174.80 3ijj n SER 53 N 2.09 4.10 -4.67 5.45 3.41 -1.26 -1.16 113.62 121.59 3ijj n SER 53 Ca -0.19 -2.34 -0.31 0.00 -0.26 0.00 0.00 58.87 55.78 3ijj n SER 53 Cb 0.54 -0.52 0.17 0.00 -0.26 0.00 0.00 64.21 64.13 3ijj n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ijj s GLU 54 N -1.73 0.98 0.21 4.33 0.41 -1.26 -4.87 118.70 116.78 3ijj s GLU 54 Ca 0.44 1.46 -0.32 0.00 -0.41 0.00 0.00 54.97 56.14 3ijj s GLU 54 Cb 0.28 -1.73 -0.15 0.00 -1.78 0.00 0.00 34.13 30.75 3ijj s GLU 54 CO 0.22 -2.62 1.26 -2.30 -0.49 0.00 0.00 175.26 171.33 3ijj n PRO 55 N -4.22 1.57 -3.97 0.39 -0.02 -1.26 -4.84 135.00 122.64 3ijj n PRO 55 Ca 0.11 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 3ijj n PRO 55 Cb 0.52 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 3ijj n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ijj s ALA 57 N -4.00 -0.66 -0.16 0.00 0.00 -0.56 -3.55 121.76 112.83 3ijj s ALA 57 Ca 0.21 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.74 3ijj s ALA 57 Cb -0.01 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.86 3ijj s ALA 57 CO 0.08 -0.17 -0.21 -0.51 0.00 0.00 0.00 175.76 174.95 3ijj s LEU 58 N -0.38 2.13 0.20 0.00 1.43 0.02 -1.80 118.68 120.29 3ijj s LEU 58 Ca -0.05 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 3ijj s LEU 58 Cb -0.03 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.67 3ijj s LEU 58 CO 0.01 0.03 -0.07 0.00 0.23 0.00 0.00 176.35 176.56 3ijj s SER 60 N -3.27 0.11 -0.15 0.00 1.04 -0.46 -0.94 113.70 110.03 3ijj s SER 60 Ca 0.23 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3ijj s SER 60 Cb 0.03 0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.31 3ijj s SER 60 CO 0.06 -0.24 -0.10 -0.22 0.98 0.00 0.00 173.24 173.72 3ijj s LEU 61 N -1.03 1.60 -0.13 2.42 2.96 0.02 -1.38 118.68 123.15 3ijj s LEU 61 Ca -0.11 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.25 3ijj s LEU 61 Cb -0.07 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.55 3ijj s LEU 61 CO -0.00 -0.11 0.01 -1.00 -1.32 0.00 0.00 176.35 173.93 3ijj s HIS 62 N 1.57 3.16 -0.03 5.38 3.76 -0.19 -0.99 115.29 127.94 3ijj s HIS 62 Ca 0.04 0.03 -0.13 0.00 -0.15 0.00 0.00 55.06 54.84 3ijj s HIS 62 Cb -0.14 -1.92 0.02 0.00 1.11 0.00 0.00 32.58 31.66 3ijj s HIS 62 CO -0.09 0.24 0.29 0.45 -0.85 0.00 0.00 174.74 174.79 3ijj s SER 63 N -0.18 -0.19 -0.69 1.40 0.15 -0.42 -1.09 113.70 112.67 3ijj s SER 63 Ca 0.05 0.15 -0.24 0.00 0.70 0.00 0.00 55.95 56.61 3ijj s SER 63 Cb -0.12 0.36 0.06 0.00 -1.71 0.00 0.00 66.02 64.60 3ijj s SER 63 CO 0.02 -0.38 1.06 -0.63 1.20 0.00 0.00 173.24 174.51 3ijj s ILE 64 N -1.08 4.15 0.04 6.45 1.01 -1.26 -0.71 121.20 129.79 3ijj s ILE 64 Ca -0.11 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3ijj s ILE 64 Cb -0.05 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.66 3ijj s ILE 64 CO 0.03 -1.58 0.00 0.61 0.00 0.00 0.00 174.94 174.00 3ijj n GLY 65 N 5.36 -1.82 2.39 6.18 0.00 -1.26 -4.95 105.19 111.08 3ijj n GLY 65 Ca -0.01 -1.31 -0.20 0.00 0.00 0.00 0.00 46.02 44.50 3ijj n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ijj n LYS 66 N -1.19 -1.56 -4.80 1.61 4.76 -1.26 -4.92 118.16 110.81 3ijj n LYS 66 Ca 0.00 0.97 -0.26 0.00 -2.87 0.00 0.00 58.31 56.15 3ijj n LYS 66 Cb 0.08 -5.54 -0.16 0.00 -1.84 0.00 0.00 35.03 27.56 3ijj n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3ijj s ILE 67 N -2.96 1.39 0.00 -0.18 -1.09 -1.26 -4.87 121.20 112.22 3ijj s ILE 67 Ca 0.00 -0.68 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 3ijj s ILE 67 Cb 0.00 -1.20 0.00 0.00 -1.58 0.00 0.00 42.46 39.68 3ijj s ILE 67 CO 0.00 0.40 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 3ijj n GLY 68 N 3.23 -0.85 0.20 6.18 0.00 -1.26 -4.99 105.19 107.70 3ijj n GLY 68 Ca -0.19 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.70 3ijj n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ijj h GLY 69 N 0.00 -1.46 1.01 -0.02 0.00 -2.00 0.16 103.07 100.77 3ijj h GLY 69 Ca 0.00 0.74 -0.11 0.00 0.00 0.00 0.00 47.33 47.96 3ijj h GLY 69 CO 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 176.54 175.89 3ijj h ALA 70 N -0.82 0.54 -0.70 3.60 0.00 -2.00 -2.72 119.26 117.16 3ijj h ALA 70 Ca 0.02 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3ijj h ALA 70 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3ijj h ALA 70 CO -0.23 0.49 0.41 1.96 0.00 0.00 0.00 179.25 181.87 3ijj h GLN 71 N 0.61 0.96 -0.21 0.00 4.20 -1.91 -1.75 115.11 117.02 3ijj h GLN 71 Ca 0.08 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.58 3ijj h GLN 71 Cb 0.75 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3ijj h GLN 71 CO 0.06 0.70 -0.34 -0.91 -0.67 0.00 0.00 178.83 177.67 3ijj h ASN 72 N 0.96 0.45 -0.56 1.46 2.35 -0.64 0.85 115.58 120.45 3ijj h ASN 72 Ca 0.25 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 3ijj h ASN 72 Cb 0.00 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3ijj h ASN 72 CO -0.04 0.76 0.31 0.03 -1.65 0.00 0.00 177.43 176.84 3ijj h ARG 73 N 0.37 0.79 -0.37 0.81 3.08 -1.15 -0.36 114.38 117.55 3ijj h ARG 73 Ca 0.04 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3ijj h ARG 73 Cb 0.78 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 3ijj h ARG 73 CO 0.06 0.60 0.12 1.03 -1.07 0.00 0.00 179.97 180.72 3ijj h SER 74 N 0.76 0.54 -0.94 7.04 0.87 -0.78 -2.14 113.55 118.90 3ijj h SER 74 Ca 0.20 -0.20 0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3ijj h SER 74 Cb 0.05 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 61.82 3ijj h SER 74 CO -0.03 0.60 0.61 1.88 -0.53 0.00 0.00 176.83 179.36 3ijj h TYR 75 N 0.46 1.20 -0.70 2.24 0.05 -0.70 -1.60 116.97 117.92 3ijj h TYR 75 Ca 0.12 0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.85 3ijj h TYR 75 Cb 0.25 -0.40 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 3ijj h TYR 75 CO 0.01 0.76 0.14 0.77 -1.05 0.00 0.00 178.16 178.80 3ijj h SER 76 N 1.28 1.08 -0.30 3.88 0.02 -0.77 0.16 113.55 118.90 3ijj h SER 76 Ca 0.34 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3ijj h SER 76 Cb -0.13 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.12 3ijj h SER 76 CO -0.07 1.05 0.05 0.50 -1.14 0.00 0.00 176.83 177.22 3ijj h LYS 77 N 1.06 0.50 0.14 3.45 3.64 -1.14 -0.47 116.57 123.74 3ijj h LYS 77 Ca 0.22 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3ijj h LYS 77 Cb 0.41 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3ijj h LYS 77 CO 0.01 0.59 -0.08 1.25 -2.27 0.00 0.00 179.45 178.95 3ijj h LEU 78 N 0.32 -0.20 -0.10 5.20 5.85 -0.97 -1.25 115.31 124.17 3ijj h LEU 78 Ca 0.09 0.01 -0.20 0.00 0.84 0.00 0.00 57.88 58.62 3ijj h LEU 78 Cb 0.33 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.43 3ijj h LEU 78 CO 0.00 -0.13 -0.73 -0.07 -0.34 0.00 0.00 178.44 177.17 3ijj h LEU 79 N -0.21 0.80 -1.00 2.25 3.38 -0.67 -1.70 115.31 118.17 3ijj h LEU 79 Ca -0.01 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3ijj h LEU 79 Cb 0.18 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3ijj h LEU 79 CO 0.01 1.35 0.63 0.00 0.09 0.00 0.00 178.44 180.52 3ijj h GLY 81 N 1.34 0.50 1.02 0.00 0.00 -0.99 -0.20 103.07 104.74 3ijj h GLY 81 Ca 0.36 -0.10 -0.07 0.00 0.00 0.00 0.00 47.33 47.52 3ijj h GLY 81 CO -0.07 0.05 0.10 1.41 0.00 0.00 0.00 176.54 178.03 3ijj h LEU 82 N 0.33 0.89 -0.89 3.11 3.38 -0.94 -0.80 115.31 120.39 3ijj h LEU 82 Ca 0.17 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3ijj h LEU 82 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3ijj h LEU 82 CO -0.16 0.92 -0.15 -0.07 0.09 0.00 0.00 178.44 179.07 3ijj h LEU 83 N 0.82 0.65 -0.05 1.67 3.38 -0.88 0.17 115.31 121.07 3ijj h LEU 83 Ca 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ijj h LEU 83 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ijj h LEU 83 CO 0.01 0.82 -0.02 0.00 0.09 0.00 0.00 178.44 179.33 3ijj h ALA 84 N 1.24 0.07 -0.28 1.53 0.00 -0.89 -1.05 119.26 119.88 3ijj h ALA 84 Ca 0.10 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3ijj h ALA 84 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3ijj h ALA 84 CO 0.04 -0.20 -0.18 1.05 0.00 0.00 0.00 179.25 179.97 3ijj h GLU 85 N -0.29 0.61 0.08 0.00 9.09 -1.05 -2.19 114.58 120.84 3ijj h GLU 85 Ca 0.01 -0.29 -0.36 0.00 0.05 0.00 0.00 59.36 58.78 3ijj h GLU 85 Cb 0.46 -0.01 -0.03 0.00 -1.65 0.00 0.00 28.75 27.51 3ijj h GLU 85 CO 0.01 0.87 -2.04 0.54 0.05 0.00 0.00 179.01 178.44 3ijj n ARG 86 N -4.39 0.72 0.00 1.06 5.12 0.04 -4.43 116.66 114.78 3ijj n ARG 86 Ca -0.04 0.24 0.07 0.00 -1.93 0.00 0.00 57.85 56.19 3ijj n ARG 86 Cb 0.40 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 30.02 3ijj n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3ijj n LEU 87 N -3.34 1.55 -3.13 0.55 4.77 -0.49 -4.61 117.00 112.30 3ijj n LEU 87 Ca -0.31 -0.80 -0.22 0.00 -0.03 0.00 0.00 56.01 54.65 3ijj n LEU 87 Cb 1.05 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.19 3ijj n LEU 87 CO 0.41 0.30 0.11 0.54 -1.33 0.00 0.00 177.39 177.42 3ijj n ARG 88 N -0.04 -6.03 -3.76 3.23 5.12 -0.66 -4.96 116.66 109.56 3ijj n ARG 88 Ca 0.06 0.83 -0.36 0.00 -1.93 0.00 0.00 57.85 56.46 3ijj n ARG 88 Cb 0.29 -5.67 -0.09 0.00 -1.16 0.00 0.00 32.46 25.83 3ijj n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3ijj s ILE 89 N -3.22 5.17 0.24 0.55 1.01 -0.95 -4.94 121.20 119.06 3ijj s ILE 89 Ca 0.41 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 3ijj s ILE 89 Cb -0.18 -3.38 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 3ijj s ILE 89 CO 0.51 0.39 1.51 -0.55 0.00 0.00 0.00 174.94 176.80 3ijj s SER 90 N 0.79 6.57 0.53 3.58 0.15 -1.26 -3.21 113.70 120.84 3ijj s SER 90 Ca 0.06 2.73 0.24 0.00 0.70 0.00 0.00 55.95 59.68 3ijj s SER 90 Cb -0.13 -2.62 1.38 0.00 -1.71 0.00 0.00 66.02 62.95 3ijj s SER 90 CO 0.02 -0.78 2.03 -0.65 1.20 0.00 0.00 173.24 175.06 3ijj h PRO 91 N 5.39 0.00 0.00 5.44 0.11 -1.97 0.12 132.00 141.09 3ijj h PRO 91 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ijj h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3ijj h PRO 91 CO 0.81 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3ijj n ASP 92 N -4.38 0.00 -0.61 -2.05 5.68 -1.26 -2.63 116.55 111.30 3ijj n ASP 92 Ca 0.07 -1.25 0.06 0.00 -0.50 0.00 0.00 54.79 53.17 3ijj n ASP 92 Cb 0.49 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.66 3ijj n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3ijj n ARG 93 N -0.78 1.41 -4.83 0.11 1.74 0.03 -5.01 116.66 109.34 3ijj n ARG 93 Ca 0.12 -3.10 -0.27 0.00 -0.77 0.00 0.00 57.85 53.82 3ijj n ARG 93 Cb 0.05 -1.47 -0.17 0.00 -1.02 0.00 0.00 32.46 29.86 3ijj n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3ijj s VAL 94 N -2.91 1.48 -0.05 1.55 1.01 -1.08 -1.49 120.40 118.90 3ijj s VAL 94 Ca 0.37 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3ijj s VAL 94 Cb 0.36 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3ijj s VAL 94 CO -0.07 0.43 -0.13 -0.31 0.00 0.00 0.00 175.10 175.02 3ijj s TYR 95 N 0.43 2.74 -0.14 5.22 2.02 -0.74 -5.00 117.35 121.87 3ijj s TYR 95 Ca -0.13 -0.14 -0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3ijj s TYR 95 Cb -0.15 -1.64 0.03 0.00 -0.40 0.00 0.00 41.96 39.79 3ijj s TYR 95 CO 0.05 0.20 -0.07 0.42 -1.57 0.00 0.00 175.55 174.58 3ijj s ILE 96 N -0.72 1.11 -0.11 2.71 1.01 -1.26 -0.32 121.20 123.62 3ijj s ILE 96 Ca 0.11 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 3ijj s ILE 96 Cb -0.11 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 3ijj s ILE 96 CO 0.01 0.25 0.56 0.20 0.00 0.00 0.00 174.94 175.96 3ijj s ASN 97 N 1.65 6.78 -0.13 3.58 0.01 -0.12 -4.95 114.94 121.76 3ijj s ASN 97 Ca 0.03 0.93 -0.05 0.00 -0.71 0.00 0.00 52.86 53.06 3ijj s ASN 97 Cb -0.14 -2.33 -0.04 0.00 0.41 0.00 0.00 41.25 39.15 3ijj s ASN 97 CO -0.08 -0.06 0.04 -0.31 -1.51 0.00 0.00 177.10 175.18 3ijj s TYR 98 N 0.77 3.24 -0.11 2.20 1.51 -1.26 -0.80 117.35 122.91 3ijj s TYR 98 Ca 0.30 0.15 -0.00 0.00 -1.01 0.00 0.00 57.07 56.50 3ijj s TYR 98 Cb -0.16 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 3ijj s TYR 98 CO 0.13 0.34 -0.07 0.71 -1.11 0.00 0.00 175.55 175.55 3ijj s TYR 99 N -0.32 1.41 -0.56 2.71 1.51 -0.16 -4.98 117.35 116.95 3ijj s TYR 99 Ca 0.08 -0.68 -0.20 0.00 -1.01 0.00 0.00 57.07 55.25 3ijj s TYR 99 Cb -0.12 -1.19 0.07 0.00 -0.11 0.00 0.00 41.96 40.61 3ijj s TYR 99 CO 0.02 -0.49 0.75 0.34 -1.11 0.00 0.00 175.55 175.05 3ijj s ASP 100 N 1.72 6.22 0.05 2.29 3.68 -1.26 -1.31 116.67 128.06 3ijj s ASP 100 Ca 0.05 -1.00 -0.22 0.00 2.13 0.00 0.00 52.55 53.51 3ijj s ASP 100 Cb -0.13 -2.34 -0.06 0.00 -1.45 0.00 0.00 42.92 38.95 3ijj s ASP 100 CO -0.08 -1.10 0.65 -0.04 0.13 0.00 0.00 175.17 174.74 3ijj s MET 101 N 3.07 4.37 0.30 4.34 -1.94 0.11 -4.90 119.30 124.65 3ijj s MET 101 Ca 0.17 0.87 -0.29 0.00 -1.71 0.00 0.00 55.69 54.73 3ijj s MET 101 Cb -0.19 -3.32 -0.10 0.00 2.01 0.00 0.00 34.83 33.23 3ijj s MET 101 CO 0.11 0.43 1.22 -0.80 -0.01 0.00 0.00 175.02 175.97 3ijj s ASN 102 N -0.47 6.99 0.39 3.03 0.01 -1.26 -4.19 114.94 119.44 3ijj s ASN 102 Ca 0.33 2.49 0.10 0.00 -0.71 0.00 0.00 52.86 55.07 3ijj s ASN 102 Cb -0.20 -2.64 0.88 0.00 0.41 0.00 0.00 41.25 39.70 3ijj s ASN 102 CO 0.20 -0.37 1.93 0.00 -1.51 0.00 0.00 177.10 177.35 3ijj h ALA 103 N 3.69 1.88 0.00 0.60 0.00 -1.94 0.05 119.26 123.54 3ijj h ALA 103 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ijj h ALA 103 Cb 1.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3ijj h ALA 103 CO 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3ijj h ALA 104 N 1.63 1.00 -0.61 0.00 0.00 -1.92 -2.53 119.26 116.83 3ijj h ALA 104 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3ijj h ALA 104 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3ijj h ALA 104 CO -0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.21 3ijj n ASN 105 N -2.96 4.51 -4.02 0.00 3.02 0.00 -4.80 115.26 111.01 3ijj n ASN 105 Ca -0.01 -2.41 -0.31 0.00 -0.03 0.00 0.00 54.58 51.81 3ijj n ASN 105 Cb 0.18 -0.54 -0.15 0.00 -0.61 0.00 0.00 39.78 38.66 3ijj n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3ijj s VAL 106 N -1.78 1.93 0.26 2.41 1.01 -0.97 -4.93 120.40 118.33 3ijj s VAL 106 Ca 0.48 -1.53 -0.21 0.00 0.00 0.00 0.00 61.98 60.72 3ijj s VAL 106 Cb 0.31 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 3ijj s VAL 106 CO 0.24 -0.10 0.79 -0.83 0.00 0.00 0.00 175.10 175.20 3ijj s GLY 107 N 1.20 2.63 -0.28 4.51 0.00 -1.26 -1.66 107.32 112.46 3ijj s GLY 107 Ca -0.06 0.25 -0.23 0.00 0.00 0.00 0.00 44.72 44.68 3ijj s GLY 107 CO -0.06 0.62 0.97 0.86 0.00 0.00 0.00 173.10 175.49 3ijj s TRP 108 N -1.61 -0.57 -1.28 1.90 -0.00 -0.09 -4.94 118.94 112.36 3ijj s TRP 108 Ca 0.46 1.30 -0.06 0.00 -0.00 0.00 0.00 56.10 57.80 3ijj s TRP 108 Cb -0.16 0.37 -0.01 0.00 -0.00 0.00 0.00 33.47 33.67 3ijj s TRP 108 CO 0.21 -0.27 0.64 -1.71 -0.00 0.00 0.00 176.95 175.81 3ijj n ASN 109 N 2.69 -2.27 0.00 5.86 5.15 -1.26 -1.47 115.26 123.96 3ijj n ASN 109 Ca -0.14 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 3ijj n ASN 109 Cb 0.56 -3.56 0.00 0.00 -0.53 0.00 0.00 39.78 36.26 3ijj n ASN 109 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3ijj n ASN 110 N -2.93 -3.39 0.00 1.20 3.02 -1.26 -4.90 115.26 107.01 3ijj n ASN 110 Ca -0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3ijj n ASN 110 Cb 0.65 -1.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.00 3ijj n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3ijj n SER 111 N -0.38 0.00 -4.36 6.41 2.88 -0.54 -5.19 113.62 112.45 3ijj n SER 111 Ca 0.00 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.29 3ijj n SER 111 Cb 0.19 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.56 3ijj n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3ijj s THR 112 N -1.24 0.97 0.08 2.46 -4.23 -1.26 -0.91 115.64 111.51 3ijj s THR 112 Ca 0.00 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.84 3ijj s THR 112 Cb 0.00 -2.54 0.39 0.00 1.34 0.00 0.00 72.50 71.68 3ijj s THR 112 CO 0.00 0.00 1.96 -0.26 -0.54 0.00 0.00 174.62 175.78 3ijj h PHE 113 N 1.88 0.00 0.00 3.99 -1.00 -1.13 -3.46 116.94 117.22 3ijj h PHE 113 Ca -0.39 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.39 3ijj h PHE 113 Cb 1.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.82 3ijj h PHE 113 CO 1.08 0.01 0.00 0.00 -1.61 0.00 0.00 178.31 177.78