#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dji s MET 2 N 0.00 0.30 -0.08 -0.52 0.23 -0.43 -1.81 119.30 117.00 3dji s MET 2 Ca 0.00 0.41 0.02 0.00 -1.03 0.00 0.00 55.69 55.09 3dji s MET 2 Cb 0.00 0.11 0.01 0.00 -1.53 0.00 0.00 34.83 33.42 3dji s MET 2 CO 0.00 -0.06 -0.13 0.12 -2.03 0.00 0.00 175.02 172.92 3dji s PHE 3 N 0.33 1.64 -0.02 3.16 5.36 0.22 -1.26 117.98 127.42 3dji s PHE 3 Ca -0.02 -0.68 0.06 0.00 -0.96 0.00 0.00 56.93 55.34 3dji s PHE 3 Cb -0.03 -1.21 -0.01 0.00 -0.34 0.00 0.00 43.02 41.43 3dji s PHE 3 CO -0.01 -0.35 -0.19 0.42 -1.46 0.00 0.00 175.22 173.62 3dji s ILE 4 N 0.82 1.56 -0.12 3.12 1.09 -0.52 -0.34 121.20 126.81 3dji s ILE 4 Ca -0.11 -0.83 0.00 0.00 -1.10 0.00 0.00 60.65 58.61 3dji s ILE 4 Cb -0.15 -1.31 0.02 0.00 -1.06 0.00 0.00 42.46 39.96 3dji s ILE 4 CO 0.02 0.44 -0.11 -0.69 -0.10 0.00 0.00 174.94 174.50 3dji s VAL 5 N -0.33 1.26 -0.21 2.92 1.01 0.69 -1.22 120.40 124.53 3dji s VAL 5 Ca 0.04 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 3dji s VAL 5 Cb -0.09 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3dji s VAL 5 CO 0.00 0.40 -0.04 0.20 0.00 0.00 0.00 175.10 175.67 3dji s ASN 6 N 1.47 4.42 0.07 3.32 0.01 -0.10 0.42 114.94 124.56 3dji s ASN 6 Ca 0.02 -0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 51.81 3dji s ASN 6 Cb -0.13 -1.75 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 3dji s ASN 6 CO -0.07 0.02 0.03 0.28 -1.51 0.00 0.00 177.10 175.85 3dji s THR 7 N 1.25 0.18 -2.60 1.60 -1.32 0.16 -0.72 115.64 114.19 3dji s THR 7 Ca 0.03 -1.71 0.26 0.00 -1.21 0.00 0.00 61.69 59.06 3dji s THR 7 Cb -0.14 -1.58 0.34 0.00 -1.51 0.00 0.00 72.50 69.60 3dji s THR 7 CO -0.01 -0.83 1.48 -0.46 -2.21 0.00 0.00 174.62 172.59 3dji n ASN 8 N 0.04 2.10 -4.76 8.08 6.94 -1.23 -1.67 115.26 124.76 3dji n ASN 8 Ca -0.13 -1.65 -0.40 0.00 -0.02 0.00 0.00 54.58 52.39 3dji n ASN 8 Cb 0.62 0.05 -0.05 0.00 -2.36 0.00 0.00 39.78 38.04 3dji n ASN 8 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 3dji s VAL 9 N -2.08 3.67 0.93 3.53 -7.23 -1.26 -4.31 120.40 113.64 3dji s VAL 9 Ca 0.31 1.62 -0.11 0.00 -1.81 0.00 0.00 61.98 62.00 3dji s VAL 9 Cb 0.20 -4.01 0.13 0.00 0.56 0.00 0.00 36.38 33.26 3dji s VAL 9 CO 0.36 0.34 0.98 -0.81 -0.31 0.00 0.00 175.10 175.65 3dji n PRO 10 N 1.08 -0.46 -0.20 4.82 -0.04 -1.26 -1.55 135.00 137.39 3dji n PRO 10 Ca -0.00 -0.07 -0.05 0.00 -0.04 0.00 0.00 63.50 63.33 3dji n PRO 10 Cb 0.46 -2.26 0.05 0.00 -0.04 0.00 0.00 33.50 31.71 3dji n PRO 10 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3dji h ARG 11 N -1.84 0.71 0.00 0.54 1.12 -1.94 -1.73 114.38 111.24 3dji h ARG 11 Ca -0.43 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 3dji h ARG 11 Cb 1.27 -0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.07 3dji h ARG 11 CO 0.40 0.47 0.02 0.00 -3.11 0.00 0.00 179.97 177.74 3dji h ALA 12 N 1.25 1.01 -0.00 2.80 0.00 -2.03 0.35 119.26 122.64 3dji h ALA 12 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3dji h ALA 12 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3dji h ALA 12 CO -0.09 -0.01 -0.35 0.43 0.00 0.00 0.00 179.25 179.23 3dji n SER 13 N -2.53 0.38 -4.56 0.00 7.64 -0.65 -4.71 113.62 109.18 3dji n SER 13 Ca -0.02 -0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.37 3dji n SER 13 Cb 0.06 0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 3dji n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dji s VAL 14 N -2.97 4.84 0.34 0.44 1.01 0.11 -4.66 120.40 119.51 3dji s VAL 14 Ca 0.13 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 3dji s VAL 14 Cb 0.18 -4.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 3dji s VAL 14 CO 0.64 -0.41 1.45 -2.84 0.00 0.00 0.00 175.10 173.95 3dji s PRO 15 N 2.83 4.19 0.30 2.72 0.02 -1.26 -4.95 135.00 138.85 3dji s PRO 15 Ca 0.26 2.46 -0.29 0.00 0.02 0.00 0.00 61.00 63.44 3dji s PRO 15 Cb -0.14 -3.01 -0.12 0.00 0.02 0.00 0.00 34.50 31.24 3dji s PRO 15 CO 0.16 -0.45 1.40 -0.25 -0.33 0.00 0.00 177.00 177.54 3dji n ASP 16 N 0.91 3.04 0.00 2.53 10.43 -1.26 -1.13 116.55 131.07 3dji n ASP 16 Ca 0.02 1.18 0.00 0.00 2.57 0.00 0.00 54.79 58.56 3dji n ASP 16 Cb 0.40 -1.50 0.00 0.00 1.84 0.00 0.00 41.12 41.86 3dji n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dji n GLY 17 N 1.47 0.93 0.34 0.44 0.00 -1.26 -4.94 105.19 102.17 3dji n GLY 17 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 3dji n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dji h PHE 18 N 0.00 1.11 -0.45 1.61 3.57 -1.50 -0.59 116.94 120.70 3dji h PHE 18 Ca 0.00 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 3dji h PHE 18 Cb 0.00 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.37 3dji h PHE 18 CO 0.00 0.80 0.01 -0.07 -2.23 0.00 0.00 178.31 176.82 3dji h LEU 19 N 1.11 0.68 -0.30 0.59 3.38 -1.92 -0.87 115.31 117.98 3dji h LEU 19 Ca 0.27 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3dji h LEU 19 Cb 0.10 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3dji h LEU 19 CO -0.04 0.74 -0.34 0.28 0.09 0.00 0.00 178.44 179.17 3dji h SER 20 N 0.68 0.82 -0.41 -0.43 0.02 -1.83 -1.72 113.55 110.67 3dji h SER 20 Ca 0.14 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.60 3dji h SER 20 Cb 0.40 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 3dji h SER 20 CO 0.01 1.14 0.25 -0.08 -1.14 0.00 0.00 176.83 177.01 3dji h GLU 21 N 0.52 0.56 0.15 3.45 4.81 -0.81 0.33 114.58 123.59 3dji h GLU 21 Ca 0.04 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3dji h GLU 21 Cb 0.93 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3dji h GLU 21 CO 0.08 0.41 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.50 3dji h LEU 22 N 0.54 -0.55 -0.51 1.64 3.38 -1.12 0.13 115.31 118.83 3dji h LEU 22 Ca 0.15 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.28 3dji h LEU 22 Cb -0.01 0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 3dji h LEU 22 CO -0.03 -0.29 -0.02 0.74 0.09 0.00 0.00 178.44 178.93 3dji h THR 23 N -0.41 0.58 0.25 0.22 2.02 -1.03 -0.15 112.91 114.38 3dji h THR 23 Ca 0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 3dji h THR 23 Cb 0.40 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3dji h THR 23 CO -0.08 0.02 -0.12 1.56 0.37 0.00 0.00 175.52 177.27 3dji h GLN 24 N 0.09 -0.32 -0.70 6.66 7.50 -0.49 -1.20 115.11 126.66 3dji h GLN 24 Ca 0.26 0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.44 3dji h GLN 24 Cb 0.39 0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.96 3dji h GLN 24 CO -0.44 -0.10 0.46 1.96 -1.50 0.00 0.00 178.83 179.21 3dji h GLN 25 N -0.48 0.91 -0.32 1.46 1.08 -0.48 -1.71 115.11 115.56 3dji h GLN 25 Ca -0.03 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.94 3dji h GLN 25 Cb 0.36 -0.21 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3dji h GLN 25 CO 0.06 0.60 -0.47 -0.07 -0.95 0.00 0.00 178.83 177.99 3dji h LEU 26 N 0.94 0.93 -0.26 1.46 3.38 -0.96 0.26 115.31 121.06 3dji h LEU 26 Ca 0.26 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3dji h LEU 26 Cb -0.09 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 3dji h LEU 26 CO -0.06 1.25 0.06 0.00 0.09 0.00 0.00 178.44 179.78 3dji h ALA 27 N 0.78 0.27 0.08 1.53 0.00 -0.69 0.20 119.26 121.42 3dji h ALA 27 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3dji h ALA 27 Cb 1.06 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dji h ALA 27 CO 0.11 -0.36 -0.04 1.96 0.00 0.00 0.00 179.25 180.92 3dji h GLN 28 N 0.16 -0.10 -0.42 0.00 7.50 -1.15 0.39 115.11 121.49 3dji h GLN 28 Ca 0.12 0.01 0.05 0.00 0.50 0.00 0.00 58.65 59.32 3dji h GLN 28 Cb 0.11 0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.62 3dji h GLN 28 CO -0.15 0.10 0.15 0.00 -1.50 0.00 0.00 178.83 177.44 3dji h ALA 29 N 0.62 0.50 0.00 3.87 0.00 -0.14 -2.96 119.26 121.15 3dji h ALA 29 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dji h ALA 29 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dji h ALA 29 CO 0.02 -0.23 -0.49 1.79 0.00 0.00 0.00 179.25 180.33 3dji h THR 30 N 0.32 0.00 0.00 0.00 1.35 -0.64 -3.47 112.91 110.47 3dji h THR 30 Ca 0.19 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3dji h THR 30 Cb 0.17 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 3dji h THR 30 CO -0.19 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.69 3dji n GLY 31 N 1.26 0.62 3.89 5.82 0.00 0.12 -4.97 105.19 111.91 3dji n GLY 31 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3dji n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dji s LYS 32 N -0.31 3.73 0.59 1.61 -0.14 -1.16 -5.02 119.74 119.06 3dji s LYS 32 Ca 0.00 0.24 -0.18 0.00 -1.36 0.00 0.00 55.97 54.67 3dji s LYS 32 Cb 0.00 -2.56 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 3dji s LYS 32 CO 0.00 0.16 1.15 -2.14 -0.76 0.00 0.00 175.35 173.76 3dji s PRO 33 N -3.43 3.05 0.27 -1.68 0.02 -1.26 -4.51 135.00 127.45 3dji s PRO 33 Ca 0.47 1.63 0.25 0.00 0.02 0.00 0.00 61.00 63.38 3dji s PRO 33 Cb -0.11 -1.96 0.90 0.00 0.02 0.00 0.00 34.50 33.35 3dji s PRO 33 CO 0.28 -1.09 1.75 -1.00 -0.33 0.00 0.00 177.00 176.60 3dji h PRO 34 N 0.77 0.00 -0.91 5.54 0.13 -1.92 -3.32 132.00 132.29 3dji h PRO 34 Ca -0.49 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.82 3dji h PRO 34 Cb 1.27 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.33 3dji h PRO 34 CO 0.55 0.00 0.59 0.37 -0.23 0.00 0.00 178.00 179.28 3dji h GLN 35 N 0.00 0.50 -0.21 0.86 4.15 -1.98 -2.44 115.11 116.00 3dji h GLN 35 Ca 0.00 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 3dji h GLN 35 Cb 0.57 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.15 3dji h GLN 35 CO 0.00 0.33 -0.00 0.66 -1.93 0.00 0.00 178.83 177.89 3dji n TYR 36 N -4.56 0.76 -3.21 3.99 4.01 -1.25 -4.96 117.16 111.94 3dji n TYR 36 Ca 0.19 -0.91 -0.40 0.00 -0.16 0.00 0.00 57.90 56.63 3dji n TYR 36 Cb 0.62 -0.28 -0.07 0.00 -0.31 0.00 0.00 39.34 39.30 3dji n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3dji s ILE 37 N -2.85 5.06 -0.12 -0.72 1.01 -0.92 -3.44 121.20 119.22 3dji s ILE 37 Ca 0.40 0.94 -0.02 0.00 0.00 0.00 0.00 60.65 61.97 3dji s ILE 37 Cb 0.33 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 3dji s ILE 37 CO 0.08 0.09 -0.03 0.00 0.00 0.00 0.00 174.94 175.08 3dji s ALA 38 N 2.23 3.08 0.03 9.38 0.00 -0.75 -5.00 121.76 130.74 3dji s ALA 38 Ca 0.23 -0.83 0.06 0.00 0.00 0.00 0.00 51.96 51.42 3dji s ALA 38 Cb -0.16 -1.48 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 3dji s ALA 38 CO 0.09 0.38 -0.18 0.08 0.00 0.00 0.00 175.76 176.13 3dji s VAL 39 N -0.19 1.48 -0.05 0.00 1.01 -1.26 -0.61 120.40 120.78 3dji s VAL 39 Ca 0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.92 3dji s VAL 39 Cb -0.13 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.00 3dji s VAL 39 CO 0.02 0.18 0.07 -2.28 0.00 0.00 0.00 175.10 173.10 3dji s HIS 40 N -0.75 0.05 -0.15 5.22 2.46 0.53 -4.96 115.29 117.69 3dji s HIS 40 Ca 0.06 0.26 -0.01 0.00 0.47 0.00 0.00 55.06 55.84 3dji s HIS 40 Cb -0.08 -0.47 -0.01 0.00 -0.13 0.00 0.00 32.58 31.88 3dji s HIS 40 CO 0.01 -0.21 -0.11 0.08 -2.47 0.00 0.00 174.74 172.04 3dji s VAL 41 N 2.18 3.13 -0.37 0.89 1.01 -1.26 -0.22 120.40 125.77 3dji s VAL 41 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3dji s VAL 41 Cb -0.12 -2.34 0.11 0.00 0.00 0.00 0.00 36.38 34.03 3dji s VAL 41 CO -0.04 0.51 0.12 -0.69 0.00 0.00 0.00 175.10 175.00 3dji s VAL 42 N 0.54 1.79 0.58 2.92 1.01 0.17 -4.96 120.40 122.45 3dji s VAL 42 Ca -0.07 -2.22 -0.00 0.00 0.00 0.00 0.00 61.98 59.68 3dji s VAL 42 Cb -0.15 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 34.03 3dji s VAL 42 CO 0.04 -0.69 0.79 -0.81 0.00 0.00 0.00 175.10 174.43 3dji n PRO 43 N 4.19 0.04 -2.16 2.72 -0.04 -1.26 -0.67 135.00 137.83 3dji n PRO 43 Ca 0.03 -2.16 -0.18 0.00 -0.04 0.00 0.00 63.50 61.15 3dji n PRO 43 Cb 0.40 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.30 3dji n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3dji n ASP 44 N -2.92 -5.14 -4.81 3.54 8.00 -0.60 -4.86 116.55 109.75 3dji n ASP 44 Ca 0.13 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.45 3dji n ASP 44 Cb 0.47 -4.38 -0.06 0.00 -0.02 0.00 0.00 41.12 37.12 3dji n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3dji s GLN 45 N -4.61 4.32 -0.60 -1.24 -1.52 -0.67 -4.97 119.66 110.35 3dji s GLN 45 Ca 0.00 1.06 -0.23 0.00 -1.95 0.00 0.00 55.36 54.24 3dji s GLN 45 Cb 0.00 -2.59 0.06 0.00 -0.22 0.00 0.00 33.01 30.26 3dji s GLN 45 CO 0.00 0.20 0.91 -1.17 -0.25 0.00 0.00 175.29 174.99 3dji s LEU 46 N -2.49 4.37 0.05 2.90 2.96 -1.26 -4.16 118.68 121.04 3dji s LEU 46 Ca 0.52 -0.77 -0.16 0.00 -0.22 0.00 0.00 54.13 53.51 3dji s LEU 46 Cb -0.14 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 44.01 3dji s LEU 46 CO 0.19 -1.30 0.36 0.00 -1.32 0.00 0.00 176.35 174.28 3dji s MET 47 N 3.84 0.87 0.09 1.98 0.23 -1.26 -5.08 119.30 119.97 3dji s MET 47 Ca 0.24 -0.45 0.05 0.00 -1.03 0.00 0.00 55.69 54.50 3dji s MET 47 Cb -0.16 0.38 -0.03 0.00 -1.53 0.00 0.00 34.83 33.49 3dji s MET 47 CO 0.13 -0.29 -0.13 0.00 -2.03 0.00 0.00 175.02 172.70 3dji s ALA 48 N -2.57 1.21 -0.03 3.16 0.00 -1.26 -4.63 121.76 117.63 3dji s ALA 48 Ca -0.05 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.84 3dji s ALA 48 Cb -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.06 3dji s ALA 48 CO -0.03 0.10 -0.06 0.12 0.00 0.00 0.00 175.76 175.89 3dji s PHE 49 N -1.71 0.77 -1.16 0.00 2.19 0.10 -4.71 117.98 113.46 3dji s PHE 49 Ca 0.02 -0.20 -0.00 0.00 0.33 0.00 0.00 56.93 57.08 3dji s PHE 49 Cb -0.07 -0.61 0.00 0.00 -1.31 0.00 0.00 43.02 41.02 3dji s PHE 49 CO 0.02 -0.13 0.01 0.41 1.83 0.00 0.00 175.22 177.35 3dji n GLY 50 N 3.63 -0.50 3.04 13.12 0.00 -1.26 0.86 105.19 124.08 3dji n GLY 50 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3dji n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dji n GLY 51 N -0.84 1.78 3.69 -0.02 0.00 -1.26 -5.01 105.19 103.53 3dji n GLY 51 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 3dji n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dji s SER 52 N -3.37 5.24 -0.01 1.61 0.15 0.25 -5.00 113.70 112.56 3dji s SER 52 Ca 0.00 0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.82 3dji s SER 52 Cb 0.00 -1.46 0.19 0.00 -1.71 0.00 0.00 66.02 63.04 3dji s SER 52 CO 0.00 0.35 1.08 -1.54 1.20 0.00 0.00 173.24 174.33 3dji n SER 53 N 1.92 1.32 -4.73 5.45 3.41 -1.26 0.01 113.62 119.73 3dji n SER 53 Ca -0.17 -2.05 -0.33 0.00 -0.26 0.00 0.00 58.87 56.06 3dji n SER 53 Cb 0.53 -0.22 0.09 0.00 -0.26 0.00 0.00 64.21 64.36 3dji n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3dji s GLU 54 N -1.68 2.13 0.01 4.33 0.41 -1.26 -4.85 118.70 117.79 3dji s GLU 54 Ca 0.14 1.53 -0.38 0.00 -0.41 0.00 0.00 54.97 55.84 3dji s GLU 54 Cb 0.08 -1.86 -0.18 0.00 -1.78 0.00 0.00 34.13 30.39 3dji s GLU 54 CO 0.08 -1.79 1.29 -2.30 -0.49 0.00 0.00 175.26 172.05 3dji n PRO 55 N -3.04 0.72 -4.00 0.39 -0.02 -1.26 -4.74 135.00 123.06 3dji n PRO 55 Ca 0.12 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 3dji n PRO 55 Cb 0.51 -1.85 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 3dji n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dji s ALA 57 N -3.61 -1.11 -0.21 0.00 0.00 -0.90 -3.47 121.76 112.46 3dji s ALA 57 Ca 0.23 1.25 0.01 0.00 0.00 0.00 0.00 51.96 53.45 3dji s ALA 57 Cb -0.01 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.43 3dji s ALA 57 CO 0.12 -0.22 -0.16 -0.51 0.00 0.00 0.00 175.76 174.99 3dji s LEU 58 N 0.18 2.61 0.35 0.00 1.43 0.10 -1.80 118.68 121.55 3dji s LEU 58 Ca -0.00 -0.89 0.06 0.00 -1.03 0.00 0.00 54.13 52.26 3dji s LEU 58 Cb -0.03 -1.51 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 3dji s LEU 58 CO 0.01 -0.07 0.01 0.00 0.23 0.00 0.00 176.35 176.53 3dji s SER 60 N -3.58 -0.29 -0.14 0.00 1.04 -0.36 -1.49 113.70 108.88 3dji s SER 60 Ca 0.35 0.52 -0.00 0.00 0.48 0.00 0.00 55.95 57.29 3dji s SER 60 Cb 0.08 0.57 0.03 0.00 0.10 0.00 0.00 66.02 66.81 3dji s SER 60 CO 0.16 -0.17 -0.07 -0.22 0.98 0.00 0.00 173.24 173.92 3dji s LEU 61 N -0.12 1.46 -0.10 2.42 2.96 -0.34 -1.43 118.68 123.52 3dji s LEU 61 Ca -0.03 -0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3dji s LEU 61 Cb -0.03 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.72 3dji s LEU 61 CO 0.01 -0.14 -0.08 -1.00 -1.32 0.00 0.00 176.35 173.82 3dji s HIS 62 N 1.64 2.92 -0.05 5.38 3.76 -0.39 -0.42 115.29 128.13 3dji s HIS 62 Ca 0.03 -0.22 -0.26 0.00 -0.15 0.00 0.00 55.06 54.46 3dji s HIS 62 Cb -0.14 -1.80 0.06 0.00 1.11 0.00 0.00 32.58 31.80 3dji s HIS 62 CO -0.08 0.11 0.58 0.45 -0.85 0.00 0.00 174.74 174.94 3dji s SER 63 N -0.23 -0.53 -0.89 1.40 0.15 -0.70 -1.31 113.70 111.58 3dji s SER 63 Ca 0.03 0.57 -0.17 0.00 0.70 0.00 0.00 55.95 57.08 3dji s SER 63 Cb -0.13 0.51 0.16 0.00 -1.71 0.00 0.00 66.02 64.85 3dji s SER 63 CO 0.03 -0.55 1.01 -0.63 1.20 0.00 0.00 173.24 174.30 3dji s ILE 64 N -1.16 5.01 0.00 6.45 1.01 -1.26 -0.84 121.20 130.41 3dji s ILE 64 Ca -0.11 -1.85 0.00 0.00 0.00 0.00 0.00 60.65 58.69 3dji s ILE 64 Cb -0.02 -4.68 0.00 0.00 0.01 0.00 0.00 42.46 37.78 3dji s ILE 64 CO 0.08 -1.35 0.00 0.61 0.00 0.00 0.00 174.94 174.28 3dji n GLY 65 N 5.00 -0.09 2.43 6.18 0.00 -1.26 -4.98 105.19 112.47 3dji n GLY 65 Ca 0.20 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 3dji n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dji n LYS 66 N -0.29 -1.97 -4.65 1.61 4.76 -1.26 -4.95 118.16 111.41 3dji n LYS 66 Ca 0.00 0.80 -0.25 0.00 -2.87 0.00 0.00 58.31 55.99 3dji n LYS 66 Cb 0.00 -5.25 -0.16 0.00 -1.84 0.00 0.00 35.03 27.78 3dji n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dji s ILE 67 N -2.89 1.21 0.00 -0.18 -1.09 -1.26 -4.90 121.20 112.09 3dji s ILE 67 Ca 0.06 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 57.93 3dji s ILE 67 Cb -0.03 -1.08 0.00 0.00 -1.58 0.00 0.00 42.46 39.77 3dji s ILE 67 CO 0.07 0.37 0.00 0.61 -1.23 0.00 0.00 174.94 174.76 3dji n GLY 68 N 3.62 0.57 0.33 6.18 0.00 -1.26 -4.98 105.19 109.65 3dji n GLY 68 Ca -0.21 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 3dji n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dji h GLY 69 N 0.00 -0.11 0.69 -0.02 0.00 -2.00 1.23 103.07 102.86 3dji h GLY 69 Ca 0.00 0.41 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 3dji h GLY 69 CO 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 176.54 176.22 3dji h ALA 70 N 0.97 0.17 -0.92 3.60 0.00 -1.99 -2.06 119.26 119.02 3dji h ALA 70 Ca 0.22 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3dji h ALA 70 Cb 0.54 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3dji h ALA 70 CO -0.63 0.01 0.61 1.96 0.00 0.00 0.00 179.25 181.20 3dji h GLN 71 N -0.12 1.22 -0.48 0.00 4.20 -1.83 -0.11 115.11 117.99 3dji h GLN 71 Ca 0.02 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3dji h GLN 71 Cb 0.63 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 3dji h GLN 71 CO 0.03 0.82 0.17 -0.91 -0.67 0.00 0.00 178.83 178.27 3dji h ASN 72 N 1.26 0.68 -0.73 1.46 4.21 0.15 0.69 115.58 123.30 3dji h ASN 72 Ca 0.34 -0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.66 3dji h ASN 72 Cb -0.13 -0.18 -0.04 0.00 -1.12 0.00 0.00 38.32 36.85 3dji h ASN 72 CO -0.07 0.68 0.46 0.03 -1.29 0.00 0.00 177.43 177.25 3dji h ARG 73 N 0.64 0.97 -0.36 0.81 3.08 -0.92 0.40 114.38 118.99 3dji h ARG 73 Ca 0.16 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3dji h ARG 73 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3dji h ARG 73 CO -0.01 0.66 0.17 1.03 -1.07 0.00 0.00 179.97 180.75 3dji h SER 74 N 0.99 0.49 -0.77 7.04 0.87 -0.42 -1.98 113.55 119.76 3dji h SER 74 Ca 0.26 -0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.65 3dji h SER 74 Cb -0.08 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 3dji h SER 74 CO -0.05 0.49 0.34 1.88 -0.53 0.00 0.00 176.83 178.96 3dji h TYR 75 N 0.45 1.14 -0.68 2.24 0.05 0.11 -2.87 116.97 117.41 3dji h TYR 75 Ca 0.12 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 3dji h TYR 75 Cb 0.14 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 37.50 3dji h TYR 75 CO -0.01 0.85 0.37 0.77 -1.05 0.00 0.00 178.16 179.09 3dji h SER 76 N 1.10 0.85 -0.30 3.88 0.02 0.07 -0.63 113.55 118.54 3dji h SER 76 Ca 0.26 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3dji h SER 76 Cb 0.17 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3dji h SER 76 CO -0.03 0.71 0.18 0.50 -1.14 0.00 0.00 176.83 177.05 3dji h LYS 77 N 0.93 0.42 0.48 3.45 3.64 -1.24 -0.16 116.57 124.10 3dji h LYS 77 Ca 0.24 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3dji h LYS 77 Cb 0.04 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3dji h LYS 77 CO -0.04 0.33 -0.34 1.25 -2.27 0.00 0.00 179.45 178.38 3dji h LEU 78 N 0.38 -0.88 -0.21 5.20 5.85 -1.27 -0.54 115.31 123.85 3dji h LEU 78 Ca 0.11 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3dji h LEU 78 Cb 0.03 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3dji h LEU 78 CO -0.02 -0.52 0.06 -0.07 -0.34 0.00 0.00 178.44 177.56 3dji h LEU 79 N -0.80 0.30 -1.10 2.25 3.38 -1.09 -0.68 115.31 117.58 3dji h LEU 79 Ca -0.05 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.79 3dji h LEU 79 Cb 0.67 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.28 3dji h LEU 79 CO 0.02 0.43 0.61 0.00 0.09 0.00 0.00 178.44 179.60 3dji h GLY 81 N 1.05 0.51 0.94 0.00 0.00 -0.58 0.64 103.07 105.63 3dji h GLY 81 Ca 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 3dji h GLY 81 CO -0.17 0.07 0.12 1.41 0.00 0.00 0.00 176.54 177.98 3dji h LEU 82 N 0.35 0.31 -0.62 3.11 3.38 0.29 -0.70 115.31 121.43 3dji h LEU 82 Ca 0.17 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3dji h LEU 82 Cb 0.10 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3dji h LEU 82 CO -0.14 0.32 0.21 -0.07 0.09 0.00 0.00 178.44 178.86 3dji h LEU 83 N 0.27 0.88 0.02 1.67 3.38 -0.56 0.36 115.31 121.33 3dji h LEU 83 Ca 0.08 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dji h LEU 83 Cb 0.09 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3dji h LEU 83 CO -0.01 0.84 -0.01 0.00 0.09 0.00 0.00 178.44 179.35 3dji h ALA 84 N 1.08 -0.03 0.09 1.53 0.00 -0.76 0.39 119.26 121.56 3dji h ALA 84 Ca 0.20 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3dji h ALA 84 Cb 0.26 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dji h ALA 84 CO -0.01 -0.37 -0.05 1.49 0.00 0.00 0.00 179.25 180.31 3dji h GLU 85 N -0.32 -0.13 0.13 0.00 4.81 -0.94 -1.04 114.58 117.09 3dji h GLU 85 Ca -0.00 0.01 -0.35 0.00 -0.13 0.00 0.00 59.36 58.89 3dji h GLU 85 Cb 0.31 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3dji h GLU 85 CO 0.00 -0.09 -1.86 0.00 -0.73 0.00 0.00 179.01 176.33 3dji h ARG 86 N -0.14 0.28 -0.01 1.92 2.47 -0.35 -3.39 114.38 115.15 3dji h ARG 86 Ca -0.01 -0.48 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 3dji h ARG 86 Cb 0.11 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3dji h ARG 86 CO 0.01 1.17 -0.38 1.28 0.56 0.00 0.00 179.97 182.61 3dji n LEU 87 N -3.47 1.49 -2.64 3.04 4.77 0.00 -4.63 117.00 115.56 3dji n LEU 87 Ca -0.27 -0.73 -0.16 0.00 -0.03 0.00 0.00 56.01 54.82 3dji n LEU 87 Cb 1.06 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3dji n LEU 87 CO 0.46 0.29 0.17 0.54 -1.33 0.00 0.00 177.39 177.52 3dji n ARG 88 N -0.29 -5.46 -4.04 3.23 1.74 -0.39 -4.96 116.66 106.47 3dji n ARG 88 Ca 0.06 0.57 -0.35 0.00 -0.77 0.00 0.00 57.85 57.37 3dji n ARG 88 Cb 0.32 -4.84 -0.12 0.00 -1.02 0.00 0.00 32.46 26.80 3dji n ARG 88 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3dji s ILE 89 N -3.22 4.21 0.22 0.55 1.01 -1.05 -4.94 121.20 117.98 3dji s ILE 89 Ca 0.38 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.49 3dji s ILE 89 Cb -0.17 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.29 3dji s ILE 89 CO 0.50 0.42 1.55 -0.55 0.00 0.00 0.00 174.94 176.87 3dji s SER 90 N 0.90 6.55 0.58 3.58 0.15 -1.26 -3.19 113.70 121.01 3dji s SER 90 Ca 0.02 2.71 0.28 0.00 0.70 0.00 0.00 55.95 59.66 3dji s SER 90 Cb -0.14 -2.61 1.55 0.00 -1.71 0.00 0.00 66.02 63.11 3dji s SER 90 CO 0.02 -0.81 2.02 -0.65 1.20 0.00 0.00 173.24 175.02 3dji h PRO 91 N 5.94 0.00 0.00 5.44 0.11 -1.96 -0.20 132.00 141.33 3dji h PRO 91 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3dji h PRO 91 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3dji h PRO 91 CO 0.86 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 3dji n ASP 92 N -3.88 0.00 -1.89 -2.05 5.68 -1.26 -2.79 116.55 110.36 3dji n ASP 92 Ca 0.05 0.17 -0.22 0.00 -0.50 0.00 0.00 54.79 54.29 3dji n ASP 92 Cb 0.48 -0.36 0.05 0.00 -1.14 0.00 0.00 41.12 40.14 3dji n ASP 92 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3dji n ARG 93 N -1.36 3.23 -3.75 0.11 1.74 -0.09 -4.98 116.66 111.57 3dji n ARG 93 Ca 0.08 -3.94 -0.17 0.00 -0.77 0.00 0.00 57.85 53.06 3dji n ARG 93 Cb 0.20 -2.20 -0.17 0.00 -1.02 0.00 0.00 32.46 29.28 3dji n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3dji s VAL 94 N -4.44 -0.05 -0.05 1.55 1.01 -1.12 -2.11 120.40 115.20 3dji s VAL 94 Ca 0.51 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.81 3dji s VAL 94 Cb 0.42 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.64 3dji s VAL 94 CO 0.02 0.13 -0.13 -0.31 0.00 0.00 0.00 175.10 174.81 3dji s TYR 95 N 1.48 2.75 -0.14 5.22 2.02 -0.75 -5.00 117.35 122.93 3dji s TYR 95 Ca -0.04 -0.12 -0.02 0.00 -0.37 0.00 0.00 57.07 56.52 3dji s TYR 95 Cb -0.13 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3dji s TYR 95 CO -0.03 0.22 0.00 0.42 -1.57 0.00 0.00 175.55 174.59 3dji s ILE 96 N -0.76 0.58 -0.25 2.71 1.01 -1.26 -0.92 121.20 122.31 3dji s ILE 96 Ca 0.12 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.31 3dji s ILE 96 Cb -0.11 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.47 3dji s ILE 96 CO 0.01 0.07 0.54 0.20 0.00 0.00 0.00 174.94 175.76 3dji s ASN 97 N 1.86 6.48 -0.09 3.58 0.02 -0.56 -4.96 114.94 121.28 3dji s ASN 97 Ca 0.02 0.58 -0.14 0.00 -1.02 0.00 0.00 52.86 52.29 3dji s ASN 97 Cb -0.15 -2.29 -0.05 0.00 0.02 0.00 0.00 41.25 38.78 3dji s ASN 97 CO -0.07 -0.30 0.36 -0.31 0.02 0.00 0.00 177.10 176.81 3dji s TYR 98 N 2.30 3.59 -0.14 2.20 1.51 -1.26 -1.20 117.35 124.35 3dji s TYR 98 Ca 0.22 0.80 0.00 0.00 -1.01 0.00 0.00 57.07 57.09 3dji s TYR 98 Cb -0.16 -2.33 0.02 0.00 -0.11 0.00 0.00 41.96 39.39 3dji s TYR 98 CO 0.09 0.42 -0.12 0.71 -1.11 0.00 0.00 175.55 175.55 3dji s TYR 99 N -0.23 1.93 -0.77 2.71 1.51 0.44 -4.96 117.35 117.98 3dji s TYR 99 Ca 0.21 -1.05 -0.17 0.00 -1.01 0.00 0.00 57.07 55.05 3dji s TYR 99 Cb -0.15 -1.47 0.15 0.00 -0.11 0.00 0.00 41.96 40.38 3dji s TYR 99 CO 0.09 -0.61 0.86 0.34 -1.11 0.00 0.00 175.55 175.11 3dji s ASP 100 N 1.56 6.49 0.24 2.29 3.68 -1.26 -1.72 116.67 127.95 3dji s ASP 100 Ca 0.05 -1.99 -0.30 0.00 2.13 0.00 0.00 52.55 52.44 3dji s ASP 100 Cb -0.13 -2.31 -0.09 0.00 -1.45 0.00 0.00 42.92 38.95 3dji s ASP 100 CO -0.10 -0.94 1.05 -0.04 0.13 0.00 0.00 175.17 175.27 3dji s MET 101 N 1.96 4.69 0.16 4.34 -1.94 -0.02 -4.90 119.30 123.58 3dji s MET 101 Ca 0.20 1.69 -0.30 0.00 -1.71 0.00 0.00 55.69 55.58 3dji s MET 101 Cb -0.14 -3.24 -0.07 0.00 2.01 0.00 0.00 34.83 33.39 3dji s MET 101 CO -0.03 0.26 1.04 -0.80 -0.01 0.00 0.00 175.02 175.48 3dji s ASN 102 N -0.75 7.37 0.33 3.03 0.01 -1.26 -4.33 114.94 119.34 3dji s ASN 102 Ca 0.45 1.98 0.09 0.00 -0.71 0.00 0.00 52.86 54.67 3dji s ASN 102 Cb -0.30 -2.60 0.84 0.00 0.41 0.00 0.00 41.25 39.61 3dji s ASN 102 CO 0.37 -0.14 1.78 0.00 -1.51 0.00 0.00 177.10 177.60 3dji h ALA 103 N 5.19 1.81 0.00 0.60 0.00 -1.95 0.15 119.26 125.06 3dji h ALA 103 Ca -0.44 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3dji h ALA 103 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3dji h ALA 103 CO 0.72 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.77 3dji n ALA 104 N -2.36 1.47 -0.76 0.00 0.00 -1.26 -2.33 120.51 115.26 3dji n ALA 104 Ca 0.24 0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.89 3dji n ALA 104 Cb 0.65 -1.37 0.37 0.00 0.00 0.00 0.00 19.45 19.09 3dji n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dji n ASN 105 N -2.28 5.11 -3.94 0.00 3.02 0.53 -4.71 115.26 112.99 3dji n ASN 105 Ca 0.01 -2.68 -0.29 0.00 -0.03 0.00 0.00 54.58 51.59 3dji n ASN 105 Cb 0.17 -0.62 -0.16 0.00 -0.61 0.00 0.00 39.78 38.56 3dji n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dji s VAL 106 N -2.28 1.34 0.04 2.41 1.01 -0.98 -4.92 120.40 117.02 3dji s VAL 106 Ca 0.52 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 3dji s VAL 106 Cb 0.36 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 3dji s VAL 106 CO 0.20 0.18 0.31 -0.83 0.00 0.00 0.00 175.10 174.97 3dji s GLY 107 N 1.54 2.28 -0.28 4.51 0.00 -1.26 -2.19 107.32 111.92 3dji s GLY 107 Ca 0.01 -0.52 -0.24 0.00 0.00 0.00 0.00 44.72 43.97 3dji s GLY 107 CO -0.08 -0.33 0.96 0.86 0.00 0.00 0.00 173.10 174.51 3dji s TRP 108 N -1.36 -0.56 -0.98 1.90 -0.00 -0.06 -4.97 118.94 112.92 3dji s TRP 108 Ca 0.30 1.32 -0.12 0.00 -0.00 0.00 0.00 56.10 57.60 3dji s TRP 108 Cb -0.13 0.35 0.00 0.00 -0.00 0.00 0.00 33.47 33.69 3dji s TRP 108 CO 0.18 -0.27 0.71 -1.71 -0.00 0.00 0.00 176.95 175.86 3dji n ASN 109 N 2.49 -5.58 -1.74 5.86 5.15 -1.26 -2.33 115.26 117.85 3dji n ASN 109 Ca -0.13 -0.85 -0.15 0.00 -0.60 0.00 0.00 54.58 52.85 3dji n ASN 109 Cb 0.56 -3.11 -0.05 0.00 -0.53 0.00 0.00 39.78 36.65 3dji n ASN 109 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3dji n ASN 110 N -2.44 -4.16 -0.49 1.20 5.03 -1.26 -4.87 115.26 108.27 3dji n ASN 110 Ca -0.14 0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.61 3dji n ASN 110 Cb 0.60 -3.71 0.00 0.00 -1.02 0.00 0.00 39.78 35.65 3dji n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3dji n SER 111 N -1.07 0.00 -4.25 6.41 2.88 -0.98 -5.18 113.62 111.42 3dji n SER 111 Ca -0.16 -0.49 -0.14 0.00 -1.33 0.00 0.00 58.87 56.75 3dji n SER 111 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 3dji n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3dji s THR 112 N -2.99 0.87 -2.01 2.46 -4.23 -1.26 -0.88 115.64 107.60 3dji s THR 112 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.57 3dji s THR 112 Cb 0.00 -2.02 0.19 0.00 1.34 0.00 0.00 72.50 72.01 3dji s THR 112 CO 0.00 -0.58 1.16 0.49 -0.54 0.00 0.00 174.62 175.15 3dji n PHE 113 N -0.23 0.25 0.00 3.99 3.72 -0.93 -4.92 117.46 119.34 3dji n PHE 113 Ca -0.08 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 3dji n PHE 113 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 3dji n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71