#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 2.70 -0.11 -0.52 1.75 -0.17 -1.05 119.30 121.91 3ijj s MET 2 Ca 0.00 -0.74 0.03 0.00 -1.25 0.00 0.00 55.69 53.72 3ijj s MET 2 Cb 0.00 -2.16 0.01 0.00 2.84 0.00 0.00 34.83 35.52 3ijj s MET 2 CO 0.00 0.03 -0.20 0.12 -0.65 0.00 0.00 175.02 174.32 3ijj s PHE 3 N 0.71 2.35 -0.06 4.11 5.36 -0.05 -1.04 117.98 129.37 3ijj s PHE 3 Ca -0.11 -1.06 0.05 0.00 -0.96 0.00 0.00 56.93 54.85 3ijj s PHE 3 Cb -0.16 -1.61 -0.00 0.00 -0.34 0.00 0.00 43.02 40.90 3ijj s PHE 3 CO 0.02 -0.48 -0.21 0.42 -1.46 0.00 0.00 175.22 173.51 3ijj s ILE 4 N 0.66 1.76 -0.16 3.12 1.01 -0.36 -1.17 121.20 126.05 3ijj s ILE 4 Ca -0.12 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.65 3ijj s ILE 4 Cb -0.16 -1.50 0.02 0.00 0.01 0.00 0.00 42.46 40.82 3ijj s ILE 4 CO 0.03 0.49 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 3ijj s VAL 5 N 0.05 1.83 -0.18 2.92 1.01 0.02 -1.26 120.40 124.79 3ijj s VAL 5 Ca -0.07 -0.80 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 3ijj s VAL 5 Cb -0.14 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3ijj s VAL 5 CO 0.04 0.50 -0.02 0.20 0.00 0.00 0.00 175.10 175.82 3ijj s ASN 6 N 1.35 4.82 0.03 3.32 0.01 0.02 -0.13 114.94 124.36 3ijj s ASN 6 Ca 0.04 -0.17 -0.09 0.00 -0.71 0.00 0.00 52.86 51.94 3ijj s ASN 6 Cb -0.13 -1.81 0.00 0.00 0.41 0.00 0.00 41.25 39.73 3ijj s ASN 6 CO -0.11 0.11 0.18 0.28 -1.51 0.00 0.00 177.10 176.05 3ijj s THR 7 N 0.69 0.10 -1.43 1.60 -1.32 -0.03 -0.86 115.64 114.40 3ijj s THR 7 Ca -0.01 -0.83 0.28 0.00 -1.21 0.00 0.00 61.69 59.92 3ijj s THR 7 Cb -0.14 -0.77 0.35 0.00 -1.51 0.00 0.00 72.50 70.43 3ijj s THR 7 CO 0.02 -0.46 1.82 -0.46 -2.21 0.00 0.00 174.62 173.33 3ijj n ASN 8 N 0.92 0.37 -4.77 8.08 6.94 -1.24 -1.05 115.26 124.51 3ijj n ASN 8 Ca -0.20 -0.31 -0.41 0.00 -0.02 0.00 0.00 54.58 53.64 3ijj n ASN 8 Cb 0.58 -0.11 -0.01 0.00 -2.36 0.00 0.00 39.78 37.88 3ijj n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3ijj s VAL 9 N -2.65 2.12 0.62 3.53 1.01 -1.26 -4.15 120.40 119.63 3ijj s VAL 9 Ca 0.24 0.12 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 3ijj s VAL 9 Cb 0.19 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3ijj s VAL 9 CO 0.52 0.02 1.12 -2.16 0.00 0.00 0.00 175.10 174.60 3ijj s PRO 10 N -1.43 2.95 0.29 2.72 0.04 -1.26 -0.71 135.00 137.59 3ijj s PRO 10 Ca 0.57 1.47 0.03 0.00 0.04 0.00 0.00 61.00 63.10 3ijj s PRO 10 Cb -0.46 -1.96 0.61 0.00 0.04 0.00 0.00 34.50 32.72 3ijj s PRO 10 CO 0.56 -1.14 1.81 -0.09 0.04 0.00 0.00 177.00 178.18 3ijj h ARG 11 N 0.39 0.87 0.00 4.56 9.65 -1.93 -0.78 114.38 127.14 3ijj h ARG 11 Ca -0.48 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.35 3ijj h ARG 11 Cb 1.25 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 3ijj h ARG 11 CO 0.55 0.57 0.00 0.00 2.80 0.00 0.00 179.97 183.89 3ijj h ALA 12 N 1.57 1.00 -0.01 2.80 0.00 -2.03 -1.35 119.26 121.24 3ijj h ALA 12 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3ijj h ALA 12 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3ijj h ALA 12 CO -0.31 0.00 -0.16 0.43 0.00 0.00 0.00 179.25 179.21 3ijj n SER 13 N -2.68 1.25 -4.58 0.00 7.64 -0.30 -4.74 113.62 110.21 3ijj n SER 13 Ca -0.00 -1.15 -0.43 0.00 1.01 0.00 0.00 58.87 58.31 3ijj n SER 13 Cb 0.18 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 3ijj n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3ijj s VAL 14 N -2.30 4.64 0.65 0.44 1.01 -0.51 -4.72 120.40 119.60 3ijj s VAL 14 Ca 0.30 0.87 -0.14 0.00 0.00 0.00 0.00 61.98 63.00 3ijj s VAL 14 Cb 0.20 -4.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3ijj s VAL 14 CO 0.45 -0.57 1.07 -2.16 0.00 0.00 0.00 175.10 173.89 3ijj s PRO 15 N 3.33 3.00 0.28 2.72 0.04 -1.26 -4.96 135.00 138.15 3ijj s PRO 15 Ca 0.34 1.20 -0.29 0.00 0.04 0.00 0.00 61.00 62.29 3ijj s PRO 15 Cb -0.12 -1.99 -0.14 0.00 0.04 0.00 0.00 34.50 32.29 3ijj s PRO 15 CO 0.20 -1.07 1.06 -0.25 0.04 0.00 0.00 177.00 176.98 3ijj n ASP 16 N -2.51 1.47 0.00 6.66 8.00 -1.26 -2.67 116.55 126.24 3ijj n ASP 16 Ca 0.09 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.77 3ijj n ASP 16 Cb 0.53 -1.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 3ijj n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ijj n GLY 17 N 1.30 0.78 0.09 0.44 0.00 -1.26 -4.97 105.19 101.58 3ijj n GLY 17 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 0.19 -0.87 1.61 3.57 -1.89 -0.48 116.94 119.08 3ijj h PHE 18 Ca 0.00 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3ijj h PHE 18 Cb 0.00 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.64 3ijj h PHE 18 CO 0.00 0.35 0.57 -0.07 -2.23 0.00 0.00 178.31 176.92 3ijj h LEU 19 N -0.02 0.96 -0.51 0.59 3.38 -1.93 -1.12 115.31 116.66 3ijj h LEU 19 Ca 0.04 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3ijj h LEU 19 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3ijj h LEU 19 CO 0.00 0.67 0.17 -1.28 0.09 0.00 0.00 178.44 178.09 3ijj h SER 20 N 1.12 0.75 -0.53 -0.43 0.87 -1.93 -0.91 113.55 112.49 3ijj h SER 20 Ca 0.34 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3ijj h SER 20 Cb -0.05 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 3ijj h SER 20 CO -0.10 0.75 0.27 -0.08 -0.53 0.00 0.00 176.83 177.14 3ijj h GLU 21 N 0.70 0.76 -0.54 2.24 4.81 -0.77 -1.00 114.58 120.77 3ijj h GLU 21 Ca 0.17 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3ijj h GLU 21 Cb 0.27 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 3ijj h GLU 21 CO -0.01 0.61 0.36 -0.07 -0.73 0.00 0.00 179.01 179.17 3ijj h LEU 22 N 0.71 0.63 -0.02 1.64 3.38 -1.05 -0.22 115.31 120.39 3ijj h LEU 22 Ca 0.18 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3ijj h LEU 22 Cb 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ijj h LEU 22 CO -0.03 0.46 -0.04 0.74 0.09 0.00 0.00 178.44 179.67 3ijj h THR 23 N 0.74 0.88 -0.23 0.22 2.02 -0.86 -0.30 112.91 115.38 3ijj h THR 23 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 3ijj h THR 23 Cb -0.07 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3ijj h THR 23 CO -0.04 0.00 0.09 1.56 0.37 0.00 0.00 175.52 177.50 3ijj h GLN 24 N -0.07 0.35 -0.36 6.66 4.20 -1.01 -1.55 115.11 123.32 3ijj h GLN 24 Ca 0.03 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 3ijj h GLN 24 Cb 0.10 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3ijj h GLN 24 CO -0.06 0.41 -0.23 1.96 -0.67 0.00 0.00 178.83 180.24 3ijj h GLN 25 N 0.22 0.71 -0.28 1.46 1.08 -0.95 -2.24 115.11 115.11 3ijj h GLN 25 Ca 0.08 -0.28 -0.11 0.00 -1.45 0.00 0.00 58.65 56.88 3ijj h GLN 25 Cb 0.19 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3ijj h GLN 25 CO -0.01 0.88 -0.28 -0.07 -0.95 0.00 0.00 178.83 178.40 3ijj h LEU 26 N 0.62 0.57 -0.33 1.46 3.38 -0.97 -0.79 115.31 119.26 3ijj h LEU 26 Ca 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3ijj h LEU 26 Cb 0.72 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3ijj h LEU 26 CO 0.06 0.83 0.20 0.00 0.09 0.00 0.00 178.44 179.62 3ijj h ALA 27 N 1.21 0.42 -0.53 1.53 0.00 -1.01 0.57 119.26 121.44 3ijj h ALA 27 Ca 0.06 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ijj h ALA 27 Cb 0.74 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3ijj h ALA 27 CO 0.06 -0.09 0.22 1.96 0.00 0.00 0.00 179.25 181.40 3ijj h GLN 28 N 0.43 0.78 -0.15 0.00 7.50 -1.23 -1.16 115.11 121.29 3ijj h GLN 28 Ca 0.12 -0.14 -0.09 0.00 0.50 0.00 0.00 58.65 59.04 3ijj h GLN 28 Cb -0.00 -0.13 0.00 0.00 0.05 0.00 0.00 27.48 27.40 3ijj h GLN 28 CO -0.02 0.68 -0.27 0.00 -1.50 0.00 0.00 178.83 177.71 3ijj h ALA 29 N 1.07 0.23 0.00 3.87 0.00 -0.91 -3.25 119.26 120.27 3ijj h ALA 29 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3ijj h ALA 29 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ijj h ALA 29 CO -0.02 0.23 -0.28 1.79 0.00 0.00 0.00 179.25 180.97 3ijj h THR 30 N 0.06 0.00 -0.02 0.00 1.35 -0.93 -3.47 112.91 109.90 3ijj h THR 30 Ca 0.01 -0.65 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 3ijj h THR 30 Cb 0.86 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.76 3ijj h THR 30 CO 0.06 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.93 3ijj n GLY 31 N 1.26 0.39 3.89 5.82 0.00 -0.45 -4.93 105.19 111.17 3ijj n GLY 31 Ca 0.04 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.69 3.69 0.36 1.61 -0.14 -1.17 -5.03 119.74 118.37 3ijj s LYS 32 Ca 0.00 0.07 -0.28 0.00 -1.36 0.00 0.00 55.97 54.40 3ijj s LYS 32 Cb 0.00 -2.74 -0.10 0.00 -1.68 0.00 0.00 37.83 33.31 3ijj s LYS 32 CO 0.00 0.37 1.34 -2.14 -0.76 0.00 0.00 175.35 174.16 3ijj s PRO 33 N -2.87 4.18 0.56 -1.68 0.02 -1.26 -4.54 135.00 129.41 3ijj s PRO 33 Ca 0.44 2.28 0.25 0.00 0.02 0.00 0.00 61.00 63.98 3ijj s PRO 33 Cb -0.11 -2.95 1.59 0.00 0.02 0.00 0.00 34.50 33.04 3ijj s PRO 33 CO 0.24 -0.35 2.20 -1.00 -0.33 0.00 0.00 177.00 177.75 3ijj h PRO 34 N 3.09 0.00 -0.05 5.54 0.13 -1.91 -1.23 132.00 137.57 3ijj h PRO 34 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 3ijj h PRO 34 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3ijj h PRO 34 CO 0.64 0.02 0.10 1.96 -0.23 0.00 0.00 178.00 180.49 3ijj h GLN 35 N 0.00 0.00 -0.00 0.86 7.50 -1.97 -1.59 115.11 119.90 3ijj h GLN 35 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3ijj h GLN 35 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.57 3ijj h GLN 35 CO 0.00 0.00 -0.68 0.66 -1.50 0.00 0.00 178.83 177.32 3ijj n TYR 36 N -3.39 0.00 -3.17 2.96 4.01 -0.47 -4.94 117.16 112.16 3ijj n TYR 36 Ca -0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 3ijj n TYR 36 Cb 0.19 -0.08 -0.06 0.00 -0.31 0.00 0.00 39.34 39.08 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 -2.84 5.09 -0.05 -0.72 1.01 -0.60 -3.68 121.20 119.41 3ijj s ILE 37 Ca 0.13 1.18 0.03 0.00 0.00 0.00 0.00 60.65 61.98 3ijj s ILE 37 Cb 0.17 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 3ijj s ILE 37 CO 0.72 0.24 -0.11 0.00 0.00 0.00 0.00 174.94 175.79 3ijj s ALA 38 N 1.08 2.79 0.03 9.38 0.00 -0.21 -5.00 121.76 129.82 3ijj s ALA 38 Ca 0.30 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.35 3ijj s ALA 38 Cb -0.16 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3ijj s ALA 38 CO 0.13 0.56 -0.10 0.08 0.00 0.00 0.00 175.76 176.44 3ijj s VAL 39 N -0.77 0.72 -0.14 0.00 1.01 -1.26 -0.87 120.40 119.10 3ijj s VAL 39 Ca 0.12 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3ijj s VAL 39 Cb -0.11 -0.70 0.07 0.00 0.00 0.00 0.00 36.38 35.64 3ijj s VAL 39 CO 0.01 -0.12 0.29 -2.28 0.00 0.00 0.00 175.10 173.01 3ijj s HIS 40 N -0.88 -0.48 -0.10 5.22 5.04 -0.31 -4.97 115.29 118.81 3ijj s HIS 40 Ca -0.03 1.05 0.04 0.00 -1.54 0.00 0.00 55.06 54.58 3ijj s HIS 40 Cb -0.07 0.05 -0.00 0.00 0.04 0.00 0.00 32.58 32.60 3ijj s HIS 40 CO 0.01 -0.35 -0.24 0.08 -2.34 0.00 0.00 174.74 171.89 3ijj s VAL 41 N 2.19 2.05 -0.41 0.89 1.01 -1.26 -0.80 120.40 124.07 3ijj s VAL 41 Ca -0.02 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 60.98 3ijj s VAL 41 Cb -0.12 -1.77 0.12 0.00 0.00 0.00 0.00 36.38 34.61 3ijj s VAL 41 CO -0.09 0.56 0.16 -0.69 0.00 0.00 0.00 175.10 175.03 3ijj s VAL 42 N 0.33 1.99 0.85 2.92 1.01 0.82 -4.98 120.40 123.34 3ijj s VAL 42 Ca -0.19 -2.55 -0.08 0.00 0.00 0.00 0.00 61.98 59.17 3ijj s VAL 42 Cb -0.18 -2.43 0.18 0.00 0.00 0.00 0.00 36.38 33.95 3ijj s VAL 42 CO 0.09 -0.73 1.17 -2.16 0.00 0.00 0.00 175.10 173.47 3ijj s PRO 43 N 0.53 1.04 -1.69 2.72 0.04 -1.26 -0.85 135.00 135.53 3ijj s PRO 43 Ca 0.14 -0.88 0.00 0.00 0.04 0.00 0.00 61.00 60.30 3ijj s PRO 43 Cb -0.22 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3ijj s PRO 43 CO -0.06 -2.01 0.00 -0.25 0.04 0.00 0.00 177.00 174.72 3ijj n ASP 44 N -3.33 -5.19 -4.82 6.66 8.00 0.11 -4.82 116.55 113.17 3ijj n ASP 44 Ca 0.16 0.19 -0.34 0.00 0.71 0.00 0.00 54.79 55.51 3ijj n ASP 44 Cb 0.60 -4.26 -0.07 0.00 -0.02 0.00 0.00 41.12 37.37 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 -4.28 4.24 -0.63 -1.24 -1.52 -0.22 -4.94 119.66 111.08 3ijj s GLN 45 Ca 0.00 1.08 -0.24 0.00 -1.95 0.00 0.00 55.36 54.25 3ijj s GLN 45 Cb 0.00 -2.31 0.05 0.00 -0.22 0.00 0.00 33.01 30.53 3ijj s GLN 45 CO 0.00 0.05 1.03 -1.17 -0.25 0.00 0.00 175.29 174.94 3ijj s LEU 46 N -2.97 4.01 0.04 2.90 2.96 -1.26 -4.13 118.68 120.23 3ijj s LEU 46 Ca 0.59 -0.61 -0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3ijj s LEU 46 Cb -0.11 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 3ijj s LEU 46 CO 0.15 -1.44 0.06 -0.04 -1.32 0.00 0.00 176.35 173.76 3ijj s MET 47 N 4.38 0.59 0.03 1.98 -1.94 -1.26 -5.07 119.30 118.00 3ijj s MET 47 Ca 0.28 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.39 3ijj s MET 47 Cb -0.13 0.22 -0.02 0.00 2.01 0.00 0.00 34.83 36.91 3ijj s MET 47 CO 0.15 -0.14 -0.06 0.00 -0.01 0.00 0.00 175.02 174.96 3ijj s ALA 48 N -2.99 0.47 -0.09 3.03 0.00 -1.26 -4.53 121.76 116.39 3ijj s ALA 48 Ca -0.02 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.33 3ijj s ALA 48 Cb 0.01 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.18 3ijj s ALA 48 CO -0.06 -0.01 -0.02 0.12 0.00 0.00 0.00 175.76 175.79 3ijj s PHE 49 N -1.08 0.92 -1.74 0.00 2.19 -0.13 -4.80 117.98 113.34 3ijj s PHE 49 Ca -0.08 -0.37 0.00 0.00 0.33 0.00 0.00 56.93 56.81 3ijj s PHE 49 Cb -0.08 -0.94 0.00 0.00 -1.31 0.00 0.00 43.02 40.69 3ijj s PHE 49 CO 0.00 -0.40 0.00 0.41 1.83 0.00 0.00 175.22 177.06 3ijj n GLY 50 N 5.08 0.67 1.17 13.12 0.00 -1.26 -2.37 105.19 121.61 3ijj n GLY 50 Ca -0.09 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.88 0.68 3.06 -0.02 0.00 -1.26 -5.07 105.19 101.70 3ijj n GLY 51 Ca -0.20 -0.26 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 3ijj n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ijj s SER 52 N -2.24 0.49 -0.28 1.61 1.04 -1.00 -5.05 113.70 108.28 3ijj s SER 52 Ca 0.00 -0.81 0.12 0.00 0.48 0.00 0.00 55.95 55.74 3ijj s SER 52 Cb 0.00 0.15 0.79 0.00 0.10 0.00 0.00 66.02 67.06 3ijj s SER 52 CO 0.00 -0.46 1.78 -1.54 0.98 0.00 0.00 173.24 173.99 3ijj n SER 53 N 0.67 5.33 -4.68 7.02 3.41 -1.26 -0.95 113.62 123.15 3ijj n SER 53 Ca -0.18 -3.07 -0.31 0.00 -0.26 0.00 0.00 58.87 55.05 3ijj n SER 53 Cb 0.59 -0.71 0.16 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.88 1.10 0.19 4.33 0.41 -1.26 -4.86 118.70 115.73 3ijj s GLU 54 Ca 0.55 1.57 -0.33 0.00 -0.41 0.00 0.00 54.97 56.35 3ijj s GLU 54 Cb 0.43 -1.74 -0.15 0.00 -1.78 0.00 0.00 34.13 30.90 3ijj s GLU 54 CO 0.15 -2.58 1.33 -2.30 -0.49 0.00 0.00 175.26 171.37 3ijj n PRO 55 N -4.13 1.64 -3.98 0.39 -0.02 -1.26 -4.82 135.00 122.81 3ijj n PRO 55 Ca 0.12 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3ijj n PRO 55 Cb 0.52 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 -4.01 -0.49 -0.17 0.00 0.00 -0.43 -3.60 121.76 113.06 3ijj s ALA 57 Ca 0.21 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3ijj s ALA 57 Cb -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 23.12 22.80 3ijj s ALA 57 CO 0.07 -0.09 -0.19 -0.51 0.00 0.00 0.00 175.76 175.04 3ijj s LEU 58 N 0.10 2.21 0.21 0.00 1.43 -0.04 -1.60 118.68 120.99 3ijj s LEU 58 Ca -0.00 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3ijj s LEU 58 Cb -0.01 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 3ijj s LEU 58 CO 0.00 0.02 -0.04 0.00 0.23 0.00 0.00 176.35 176.57 3ijj s SER 60 N -3.27 0.08 -0.14 0.00 0.01 -0.39 -0.91 113.70 109.07 3ijj s SER 60 Ca 0.25 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.32 3ijj s SER 60 Cb 0.05 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.41 3ijj s SER 60 CO 0.07 -0.19 -0.12 -0.22 0.41 0.00 0.00 173.24 173.19 3ijj s LEU 61 N -0.79 1.54 -0.12 2.44 2.96 -0.06 -1.23 118.68 123.42 3ijj s LEU 61 Ca -0.09 -0.45 -0.02 0.00 -0.22 0.00 0.00 54.13 53.36 3ijj s LEU 61 Cb -0.05 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3ijj s LEU 61 CO -0.00 -0.08 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.90 3ijj s HIS 62 N 1.56 3.01 -0.05 5.38 3.76 -0.21 -0.93 115.29 127.81 3ijj s HIS 62 Ca 0.05 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.65 3ijj s HIS 62 Cb -0.13 -1.86 0.03 0.00 1.11 0.00 0.00 32.58 31.72 3ijj s HIS 62 CO -0.10 0.12 0.32 0.45 -0.85 0.00 0.00 174.74 174.68 3ijj s SER 63 N -0.11 -0.24 -0.73 1.40 0.15 -0.53 -0.99 113.70 112.64 3ijj s SER 63 Ca 0.02 0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.69 3ijj s SER 63 Cb -0.13 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.66 3ijj s SER 63 CO 0.03 -0.35 1.13 -0.63 1.20 0.00 0.00 173.24 174.62 3ijj s ILE 64 N -0.87 4.10 0.03 6.45 1.01 -1.26 -0.58 121.20 130.08 3ijj s ILE 64 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.36 3ijj s ILE 64 Cb -0.04 -4.81 0.00 0.00 0.01 0.00 0.00 42.46 37.62 3ijj s ILE 64 CO 0.03 -1.64 0.00 0.61 0.00 0.00 0.00 174.94 173.94 3ijj n GLY 65 N 5.48 -1.83 2.38 6.18 0.00 -1.26 -4.95 105.19 111.19 3ijj n GLY 65 Ca 0.03 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.00 -1.41 -4.94 1.61 4.76 -1.26 -4.90 118.16 111.02 3ijj n LYS 66 Ca 0.00 0.92 -0.28 0.00 -2.87 0.00 0.00 58.31 56.08 3ijj n LYS 66 Cb 0.05 -5.38 -0.16 0.00 -1.84 0.00 0.00 35.03 27.70 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 -2.86 1.62 0.00 -0.18 -1.09 -1.26 -4.85 121.20 112.58 3ijj s ILE 67 Ca 0.00 -0.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.62 3ijj s ILE 67 Cb 0.00 -1.40 0.00 0.00 -1.58 0.00 0.00 42.46 39.48 3ijj s ILE 67 CO 0.00 0.46 0.00 0.61 -1.23 0.00 0.00 174.94 174.78 3ijj n GLY 68 N 3.32 -0.69 0.46 6.18 0.00 -1.26 -4.99 105.19 108.22 3ijj n GLY 68 Ca -0.19 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.15 1.10 -0.02 0.00 -1.99 0.11 103.07 101.11 3ijj h GLY 69 Ca 0.00 0.66 -0.17 0.00 0.00 0.00 0.00 47.33 47.82 3ijj h GLY 69 CO 0.00 -0.26 -0.48 0.00 0.00 0.00 0.00 176.54 175.80 3ijj h ALA 70 N -0.52 0.44 -0.66 3.60 0.00 -2.00 -2.65 119.26 117.48 3ijj h ALA 70 Ca 0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3ijj h ALA 70 Cb 0.71 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3ijj h ALA 70 CO -0.32 0.61 0.38 1.96 0.00 0.00 0.00 179.25 181.88 3ijj h GLN 71 N 0.60 0.91 -0.33 0.00 4.20 -1.90 -1.86 115.11 116.74 3ijj h GLN 71 Ca 0.02 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 3ijj h GLN 71 Cb 1.09 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3ijj h GLN 71 CO 0.11 0.67 -0.26 -0.91 -0.67 0.00 0.00 178.83 177.76 3ijj h ASN 72 N 0.90 0.67 -0.75 1.46 2.35 -0.75 0.70 115.58 120.15 3ijj h ASN 72 Ca 0.23 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3ijj h ASN 72 Cb 0.01 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 3ijj h ASN 72 CO -0.04 0.91 0.48 0.03 -1.65 0.00 0.00 177.43 177.16 3ijj h ARG 73 N 0.57 1.00 -0.48 0.81 3.08 -1.17 -0.92 114.38 117.27 3ijj h ARG 73 Ca 0.08 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 3ijj h ARG 73 Cb 0.75 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 3ijj h ARG 73 CO 0.06 0.68 0.07 1.03 -1.07 0.00 0.00 179.97 180.73 3ijj h SER 74 N 1.02 0.77 -0.79 7.04 0.87 -0.67 -2.05 113.55 119.73 3ijj h SER 74 Ca 0.27 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 3ijj h SER 74 Cb -0.09 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 61.63 3ijj h SER 74 CO -0.06 0.84 0.39 1.88 -0.53 0.00 0.00 176.83 179.35 3ijj h TYR 75 N 0.67 1.14 -0.58 2.24 0.05 -0.69 -1.78 116.97 118.01 3ijj h TYR 75 Ca 0.14 -0.05 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 3ijj h TYR 75 Cb 0.41 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 37.77 3ijj h TYR 75 CO 0.03 0.82 0.02 0.77 -1.05 0.00 0.00 178.16 178.75 3ijj h SER 76 N 1.13 0.98 -0.35 3.88 0.02 -0.89 0.12 113.55 118.44 3ijj h SER 76 Ca 0.28 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3ijj h SER 76 Cb 0.11 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3ijj h SER 76 CO -0.04 1.04 0.17 0.50 -1.14 0.00 0.00 176.83 177.36 3ijj h LYS 77 N 0.90 0.51 0.16 3.45 3.64 -1.14 0.40 116.57 124.48 3ijj h LYS 77 Ca 0.17 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3ijj h LYS 77 Cb 0.52 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ijj h LYS 77 CO 0.03 0.45 -0.08 1.25 -2.27 0.00 0.00 179.45 178.83 3ijj h LEU 78 N 0.43 -0.18 -0.11 5.20 5.85 -1.03 -1.48 115.31 123.98 3ijj h LEU 78 Ca 0.12 -0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.68 3ijj h LEU 78 Cb 0.11 0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.20 3ijj h LEU 78 CO -0.02 -0.12 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.32 3ijj h LEU 79 N -0.22 0.70 -1.19 2.25 3.38 -0.71 -1.65 115.31 117.87 3ijj h LEU 79 Ca -0.02 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.31 3ijj h LEU 79 Cb 0.17 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3ijj h LEU 79 CO 0.04 1.23 0.53 0.00 0.09 0.00 0.00 178.44 180.32 3ijj h GLY 81 N 1.10 0.61 0.97 0.00 0.00 -0.97 0.02 103.07 104.81 3ijj h GLY 81 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 3ijj h GLY 81 CO -0.06 0.19 0.03 1.41 0.00 0.00 0.00 176.54 178.10 3ijj h LEU 82 N 0.54 0.76 -1.00 3.11 3.38 -0.88 -0.68 115.31 120.54 3ijj h LEU 82 Ca 0.17 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3ijj h LEU 82 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3ijj h LEU 82 CO -0.07 0.86 0.00 -0.07 0.09 0.00 0.00 178.44 179.26 3ijj h LEU 83 N 0.63 0.68 -0.07 1.67 3.38 -0.87 0.19 115.31 120.92 3ijj h LEU 83 Ca 0.13 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ijj h LEU 83 Cb 0.46 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ijj h LEU 83 CO 0.02 0.75 -0.03 0.00 0.09 0.00 0.00 178.44 179.27 3ijj h ALA 84 N 1.33 0.10 -0.32 1.53 0.00 -0.83 -0.69 119.26 120.38 3ijj h ALA 84 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3ijj h ALA 84 Cb 0.42 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3ijj h ALA 84 CO 0.02 -0.15 -0.02 1.49 0.00 0.00 0.00 179.25 180.59 3ijj h GLU 85 N -0.23 0.57 0.05 0.00 4.81 -1.00 -2.11 114.58 116.68 3ijj h GLU 85 Ca 0.02 -0.19 -0.36 0.00 -0.13 0.00 0.00 59.36 58.69 3ijj h GLU 85 Cb 0.47 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3ijj h GLU 85 CO 0.01 0.72 -2.13 0.54 -0.73 0.00 0.00 179.01 177.42 3ijj n ARG 86 N -4.53 0.70 0.00 1.92 5.12 0.04 -4.46 116.66 115.46 3ijj n ARG 86 Ca -0.02 0.21 0.07 0.00 -1.93 0.00 0.00 57.85 56.17 3ijj n ARG 86 Cb 0.28 -1.65 0.01 0.00 -1.16 0.00 0.00 32.46 29.94 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 -3.26 1.59 -2.72 0.55 4.77 -0.34 -4.57 117.00 113.03 3ijj n LEU 87 Ca -0.33 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 54.63 3ijj n LEU 87 Cb 1.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 3ijj n LEU 87 CO 0.39 0.30 -0.08 0.54 -1.33 0.00 0.00 177.39 177.21 3ijj n ARG 88 N 0.00 -3.77 -3.49 3.23 5.12 -0.76 -4.96 116.66 112.03 3ijj n ARG 88 Ca 0.06 0.91 -0.37 0.00 -1.93 0.00 0.00 57.85 56.52 3ijj n ARG 88 Cb 0.30 -5.65 -0.08 0.00 -1.16 0.00 0.00 32.46 25.87 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 -3.11 5.27 0.25 0.55 1.01 -1.04 -4.94 121.20 119.19 3ijj s ILE 89 Ca 0.20 0.56 -0.31 0.00 0.00 0.00 0.00 60.65 61.11 3ijj s ILE 89 Cb -0.09 -3.65 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 3ijj s ILE 89 CO 0.25 0.33 1.65 -0.44 0.00 0.00 0.00 174.94 176.73 3ijj s SER 90 N 0.79 6.38 0.54 3.58 0.01 -1.26 -3.37 113.70 120.37 3ijj s SER 90 Ca 0.16 2.90 0.26 0.00 1.31 0.00 0.00 55.95 60.58 3ijj s SER 90 Cb -0.14 -2.62 1.42 0.00 0.21 0.00 0.00 66.02 64.89 3ijj s SER 90 CO 0.06 -0.94 2.00 -0.65 0.41 0.00 0.00 173.24 174.11 3ijj h PRO 91 N 5.79 0.00 0.00 12.44 0.11 -1.97 0.37 132.00 148.74 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 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3ijj h PRO 91 CO 0.87 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3ijj n ASP 92 N -4.31 0.00 -0.66 -2.05 5.68 -1.26 -2.58 116.55 111.37 3ijj n ASP 92 Ca 0.09 -1.31 0.04 0.00 -0.50 0.00 0.00 54.79 53.12 3ijj n ASP 92 Cb 0.59 0.00 0.20 0.00 -1.14 0.00 0.00 41.12 40.77 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 -0.80 1.63 -4.85 0.11 1.74 0.12 -4.99 116.66 109.63 3ijj n ARG 93 Ca 0.13 -3.20 -0.28 0.00 -0.77 0.00 0.00 57.85 53.73 3ijj n ARG 93 Cb 0.06 -1.65 -0.17 0.00 -1.02 0.00 0.00 32.46 29.68 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 -3.20 1.59 -0.05 1.55 1.01 -1.07 -1.31 120.40 118.92 3ijj s VAL 94 Ca 0.39 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3ijj s VAL 94 Cb 0.37 -1.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 3ijj s VAL 94 CO -0.04 0.46 -0.15 -0.31 0.00 0.00 0.00 175.10 175.06 3ijj s TYR 95 N 0.56 2.69 -0.17 5.22 2.02 -0.63 -4.99 117.35 122.06 3ijj s TYR 95 Ca -0.16 -0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 3ijj s TYR 95 Cb -0.17 -1.63 0.04 0.00 -0.40 0.00 0.00 41.96 39.81 3ijj s TYR 95 CO 0.05 0.18 -0.05 0.42 -1.57 0.00 0.00 175.55 174.58 3ijj s ILE 96 N -0.71 1.10 -0.08 2.71 1.01 -1.26 -0.36 121.20 123.60 3ijj s ILE 96 Ca 0.11 -0.64 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 3ijj s ILE 96 Cb -0.11 -1.29 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 3ijj s ILE 96 CO 0.01 0.11 0.69 0.20 0.00 0.00 0.00 174.94 175.95 3ijj s ASN 97 N 1.63 6.95 -0.14 3.58 0.02 -0.09 -4.94 114.94 121.95 3ijj s ASN 97 Ca 0.00 1.14 -0.06 0.00 -1.02 0.00 0.00 52.86 52.93 3ijj s ASN 97 Cb -0.15 -2.40 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 3ijj s ASN 97 CO -0.08 -0.14 0.08 -0.31 0.02 0.00 0.00 177.10 176.67 3ijj s TYR 98 N 0.95 3.36 -0.11 2.20 1.51 -1.26 -0.88 117.35 123.12 3ijj s TYR 98 Ca 0.36 0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 56.69 3ijj s TYR 98 Cb -0.17 -1.98 0.03 0.00 -0.11 0.00 0.00 41.96 39.73 3ijj s TYR 98 CO 0.17 0.42 -0.06 0.71 -1.11 0.00 0.00 175.55 175.68 3ijj s TYR 99 N -0.35 1.34 -0.58 2.71 1.51 -0.11 -4.97 117.35 116.90 3ijj s TYR 99 Ca 0.10 -0.65 -0.22 0.00 -1.01 0.00 0.00 57.07 55.28 3ijj s TYR 99 Cb -0.12 -1.16 0.06 0.00 -0.11 0.00 0.00 41.96 40.64 3ijj s TYR 99 CO 0.02 -0.49 0.84 0.34 -1.11 0.00 0.00 175.55 175.15 3ijj s ASP 100 N 1.76 6.24 0.04 2.29 -1.08 -1.26 -1.46 116.67 123.20 3ijj s ASP 100 Ca 0.05 -0.81 -0.22 0.00 -0.52 0.00 0.00 52.55 51.04 3ijj s ASP 100 Cb -0.13 -2.38 -0.06 0.00 -1.46 0.00 0.00 42.92 38.90 3ijj s ASP 100 CO -0.08 -1.19 0.67 -0.04 0.52 0.00 0.00 175.17 175.05 3ijj s MET 101 N 3.51 4.39 0.30 4.34 -1.94 0.26 -4.89 119.30 125.27 3ijj s MET 101 Ca 0.22 0.90 -0.29 0.00 -1.71 0.00 0.00 55.69 54.81 3ijj s MET 101 Cb -0.17 -3.33 -0.10 0.00 2.01 0.00 0.00 34.83 33.24 3ijj s MET 101 CO 0.13 0.40 1.22 -0.80 -0.01 0.00 0.00 175.02 175.95 3ijj s ASN 102 N -0.36 6.99 0.38 3.03 0.01 -1.26 -4.12 114.94 119.60 3ijj s ASN 102 Ca 0.34 2.50 0.10 0.00 -0.71 0.00 0.00 52.86 55.09 3ijj s ASN 102 Cb -0.20 -2.64 0.86 0.00 0.41 0.00 0.00 41.25 39.68 3ijj s ASN 102 CO 0.20 -0.37 1.92 0.00 -1.51 0.00 0.00 177.10 177.35 3ijj h ALA 103 N 3.63 1.86 0.00 0.60 0.00 -1.95 0.53 119.26 123.94 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 0.66 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.88 3ijj h ALA 104 N 1.62 1.00 -0.61 0.00 0.00 -1.92 -2.68 119.26 116.67 3ijj h ALA 104 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 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 -0.14 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.20 3ijj n ASN 105 N -2.93 4.81 -3.99 0.00 3.02 0.18 -4.80 115.26 111.54 3ijj n ASN 105 Ca -0.01 -2.53 -0.31 0.00 -0.03 0.00 0.00 54.58 51.70 3ijj n ASN 105 Cb 0.18 -0.58 -0.15 0.00 -0.61 0.00 0.00 39.78 38.61 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 -2.00 1.73 0.25 2.41 1.01 -1.03 -4.93 120.40 117.85 3ijj s VAL 106 Ca 0.50 -1.31 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 3ijj s VAL 106 Cb 0.34 -1.92 -0.08 0.00 0.00 0.00 0.00 36.38 34.71 3ijj s VAL 106 CO 0.22 -0.04 0.71 -0.83 0.00 0.00 0.00 175.10 175.17 3ijj s GLY 107 N 1.31 2.50 -0.28 4.51 0.00 -1.26 -1.73 107.32 112.37 3ijj s GLY 107 Ca -0.06 0.09 -0.24 0.00 0.00 0.00 0.00 44.72 44.52 3ijj s GLY 107 CO -0.06 0.39 0.99 0.86 0.00 0.00 0.00 173.10 175.27 3ijj s TRP 108 N -1.69 -0.53 -1.36 1.90 -0.00 -0.12 -4.95 118.94 112.19 3ijj s TRP 108 Ca 0.47 1.25 -0.02 0.00 -0.00 0.00 0.00 56.10 57.80 3ijj s TRP 108 Cb -0.14 0.36 0.01 0.00 -0.00 0.00 0.00 33.47 33.70 3ijj s TRP 108 CO 0.20 -0.26 0.65 -1.71 -0.00 0.00 0.00 176.95 175.83 3ijj n ASN 109 N 2.51 -1.34 0.00 5.86 5.15 -1.26 -1.58 115.26 124.60 3ijj n ASN 109 Ca -0.14 -0.87 0.00 0.00 -0.60 0.00 0.00 54.58 52.98 3ijj n ASN 109 Cb 0.56 -3.75 0.00 0.00 -0.53 0.00 0.00 39.78 36.06 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 -3.01 -3.48 0.00 1.20 3.02 -1.26 -4.91 115.26 106.82 3ijj n ASN 110 Ca -0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 3ijj n ASN 110 Cb 0.66 -1.63 0.00 0.00 -0.61 0.00 0.00 39.78 38.20 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 -0.34 0.00 -4.43 6.41 2.88 -0.62 -5.19 113.62 112.34 3ijj n SER 111 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3ijj n SER 111 Cb 0.17 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.53 1.00 -1.68 2.46 -4.23 -1.26 -0.94 115.64 109.45 3ijj s THR 112 Ca 0.00 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.82 3ijj s THR 112 Cb 0.00 -2.41 0.65 0.00 1.34 0.00 0.00 72.50 72.08 3ijj s THR 112 CO 0.00 0.00 2.08 0.49 -0.54 0.00 0.00 174.62 176.65 3ijj n PHE 113 N -1.00 0.00 0.27 3.99 3.72 -0.71 -4.83 117.46 118.90 3ijj n PHE 113 Ca -0.10 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.32 3ijj n PHE 113 Cb 0.66 -0.17 0.13 0.00 -0.94 0.00 0.00 39.48 39.16 3ijj n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71