#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 2.04 -0.13 -0.52 1.75 0.13 -1.09 119.30 121.48 3dji s MET 2 Ca 0.00 -0.50 0.01 0.00 -1.25 0.00 0.00 55.69 53.95 3dji s MET 2 Cb 0.00 -1.77 0.02 0.00 2.84 0.00 0.00 34.83 35.92 3dji s MET 2 CO 0.00 -0.07 -0.14 0.12 -0.65 0.00 0.00 175.02 174.28 3dji s PHE 3 N 1.01 2.03 -0.04 4.11 5.36 -0.42 -0.31 117.98 129.72 3dji s PHE 3 Ca -0.07 -1.07 0.06 0.00 -0.96 0.00 0.00 56.93 54.90 3dji s PHE 3 Cb -0.15 -1.50 -0.01 0.00 -0.34 0.00 0.00 43.02 41.02 3dji s PHE 3 CO -0.01 -0.59 -0.24 0.42 -1.46 0.00 0.00 175.22 173.34 3dji s ILE 4 N 1.34 1.94 -0.08 3.12 1.09 -0.47 -1.38 121.20 126.75 3dji s ILE 4 Ca 0.01 -1.02 0.00 0.00 -1.10 0.00 0.00 60.65 58.54 3dji s ILE 4 Cb -0.13 -1.63 0.02 0.00 -1.06 0.00 0.00 42.46 39.66 3dji s ILE 4 CO -0.07 0.54 -0.06 0.54 -0.10 0.00 0.00 174.94 175.79 3dji s VAL 5 N -0.28 0.78 -0.14 2.92 0.11 -0.26 -1.14 120.40 122.39 3dji s VAL 5 Ca 0.01 -0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3dji s VAL 5 Cb -0.12 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 3dji s VAL 5 CO 0.02 0.31 -0.05 0.20 -3.33 0.00 0.00 175.10 172.25 3dji s ASN 6 N 1.45 4.71 0.07 3.54 0.01 -0.06 -0.51 114.94 124.16 3dji s ASN 6 Ca -0.01 -0.13 -0.17 0.00 -0.71 0.00 0.00 52.86 51.83 3dji s ASN 6 Cb -0.13 -1.69 0.04 0.00 0.41 0.00 0.00 41.25 39.87 3dji s ASN 6 CO -0.04 0.20 0.41 0.28 -1.51 0.00 0.00 177.10 176.44 3dji s THR 7 N 0.19 0.06 -1.97 1.60 -1.32 -0.54 -1.40 115.64 112.27 3dji s THR 7 Ca -0.03 -0.50 0.28 0.00 -1.21 0.00 0.00 61.69 60.24 3dji s THR 7 Cb -0.14 -1.03 0.49 0.00 -1.51 0.00 0.00 72.50 70.31 3dji s THR 7 CO 0.03 -0.27 1.79 -0.46 -2.21 0.00 0.00 174.62 173.50 3dji n ASN 8 N 0.25 0.86 -4.77 8.08 6.94 -1.23 -1.40 115.26 124.00 3dji n ASN 8 Ca -0.18 -0.98 -0.41 0.00 -0.02 0.00 0.00 54.58 53.00 3dji n ASN 8 Cb 0.61 0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 38.03 3dji n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3dji s VAL 9 N -2.29 2.41 0.72 3.53 1.01 -1.26 -4.09 120.40 120.43 3dji s VAL 9 Ca 0.33 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.55 3dji s VAL 9 Cb 0.20 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.36 3dji s VAL 9 CO 0.43 0.09 1.24 -2.84 0.00 0.00 0.00 175.10 174.03 3dji s PRO 10 N -1.63 2.16 0.18 2.72 0.02 -1.26 -0.93 135.00 136.26 3dji s PRO 10 Ca 0.53 1.89 -0.13 0.00 0.02 0.00 0.00 61.00 63.31 3dji s PRO 10 Cb -0.43 -1.82 0.14 0.00 0.02 0.00 0.00 34.50 32.41 3dji s PRO 10 CO 0.55 -1.85 1.79 -0.09 -0.33 0.00 0.00 177.00 177.07 3dji h ARG 11 N -0.11 0.50 0.00 5.54 9.65 -1.92 -0.65 114.38 127.39 3dji h ARG 11 Ca -0.49 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3dji h ARG 11 Cb 1.31 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3dji h ARG 11 CO 0.50 0.33 0.00 0.00 2.80 0.00 0.00 179.97 183.60 3dji h ALA 12 N 1.27 1.00 -0.01 2.80 0.00 -2.03 -0.53 119.26 121.77 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dji h ALA 12 CO -0.15 0.00 -0.09 0.43 0.00 0.00 0.00 179.25 179.44 3dji n SER 13 N -2.92 0.86 -4.59 0.00 7.64 -0.25 -4.73 113.62 109.63 3dji n SER 13 Ca -0.02 -1.01 -0.40 0.00 1.01 0.00 0.00 58.87 58.44 3dji n SER 13 Cb 0.08 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.20 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 -2.25 5.10 0.34 0.44 1.01 -0.21 -4.75 120.40 120.09 3dji s VAL 14 Ca 0.34 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.56 3dji s VAL 14 Cb 0.20 -3.82 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 3dji s VAL 14 CO 0.42 0.01 1.32 -2.16 0.00 0.00 0.00 175.10 174.69 3dji s PRO 15 N 2.22 4.30 0.26 2.72 0.04 -1.26 -4.97 135.00 138.32 3dji s PRO 15 Ca 0.17 2.24 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 3dji s PRO 15 Cb -0.16 -3.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.23 3dji s PRO 15 CO 0.11 -0.24 1.63 -0.51 0.04 0.00 0.00 177.00 178.03 3dji s ASP 16 N -0.48 6.39 0.00 6.66 1.11 -1.26 -1.19 116.67 127.90 3dji s ASP 16 Ca 0.50 2.91 0.00 0.00 0.18 0.00 0.00 52.55 56.14 3dji s ASP 16 Cb -0.40 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 40.97 3dji s ASP 16 CO 0.54 -0.92 0.00 0.61 1.18 0.00 0.00 175.17 176.57 3dji n GLY 17 N 2.74 0.77 0.17 0.21 0.00 -1.26 -4.94 105.19 102.88 3dji n GLY 17 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.07 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 0.27 -0.68 1.61 3.57 -1.53 0.13 116.94 120.32 3dji h PHE 18 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dji h PHE 18 Cb 0.00 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 3dji h PHE 18 CO 0.00 0.11 0.41 -0.07 -2.23 0.00 0.00 178.31 176.53 3dji h LEU 19 N 0.32 0.82 -0.60 0.59 4.07 -1.92 -0.30 115.31 118.29 3dji h LEU 19 Ca 0.19 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.14 3dji h LEU 19 Cb 0.17 -0.21 -0.05 0.00 1.08 0.00 0.00 40.66 41.65 3dji h LEU 19 CO -0.19 0.64 0.31 0.28 -1.08 0.00 0.00 178.44 178.40 3dji h SER 20 N 0.93 0.45 -0.34 -0.43 0.02 -1.75 -1.68 113.55 110.75 3dji h SER 20 Ca 0.24 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 3dji h SER 20 Cb -0.03 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3dji h SER 20 CO -0.05 0.30 0.12 -0.08 -1.14 0.00 0.00 176.83 175.99 3dji h GLU 21 N 0.59 0.51 -0.71 3.45 4.81 -0.28 -2.67 114.58 120.29 3dji h GLU 21 Ca 0.27 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 3dji h GLU 21 Cb 0.18 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.43 3dji h GLU 21 CO -0.18 0.52 0.42 -0.07 -0.73 0.00 0.00 179.01 178.97 3dji h LEU 22 N 0.39 0.65 0.10 1.64 3.38 -0.65 -0.37 115.31 120.46 3dji h LEU 22 Ca 0.11 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3dji h LEU 22 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3dji h LEU 22 CO -0.01 0.43 -0.05 0.74 0.09 0.00 0.00 178.44 179.64 3dji h THR 23 N 0.78 0.96 0.12 0.22 2.02 -1.20 -0.08 112.91 115.73 3dji h THR 23 Ca 0.31 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 3dji h THR 23 Cb 0.14 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3dji h THR 23 CO -0.16 0.05 -0.06 1.56 0.37 0.00 0.00 175.52 177.29 3dji h GLN 24 N -0.23 -0.15 -0.72 6.66 7.50 -1.30 0.15 115.11 127.02 3dji h GLN 24 Ca -0.01 0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.21 3dji h GLN 24 Cb 0.19 0.03 -0.04 0.00 0.05 0.00 0.00 27.48 27.71 3dji h GLN 24 CO 0.02 -0.06 0.47 1.96 -1.50 0.00 0.00 178.83 179.73 3dji h GLN 25 N -0.21 0.74 -0.03 1.46 1.08 -1.04 -0.58 115.11 116.54 3dji h GLN 25 Ca -0.02 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 56.97 3dji h GLN 25 Cb 0.16 -0.17 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3dji h GLN 25 CO 0.03 0.49 -0.63 -0.07 -0.95 0.00 0.00 178.83 177.70 3dji h LEU 26 N 0.77 0.61 -0.74 1.46 3.38 -0.62 -2.81 115.31 117.36 3dji h LEU 26 Ca 0.31 -0.72 0.11 0.00 0.09 0.00 0.00 57.88 57.67 3dji h LEU 26 Cb 0.23 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 3dji h LEU 26 CO -0.10 1.25 0.35 0.00 0.09 0.00 0.00 178.44 180.03 3dji h ALA 27 N 0.38 1.04 -0.29 1.53 0.00 -0.31 -1.34 119.26 120.27 3dji h ALA 27 Ca -0.07 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3dji h ALA 27 Cb 1.31 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3dji h ALA 27 CO 0.13 -0.10 -0.08 1.96 0.00 0.00 0.00 179.25 181.16 3dji h GLN 28 N 0.56 -0.01 -0.06 0.00 1.08 -1.05 0.22 115.11 115.85 3dji h GLN 28 Ca 0.38 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.37 3dji h GLN 28 Cb 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3dji h GLN 28 CO -0.32 -0.01 -0.85 0.00 -0.95 0.00 0.00 178.83 176.70 3dji h ALA 29 N 1.26 0.40 0.04 3.87 0.00 -1.02 -3.20 119.26 120.60 3dji h ALA 29 Ca 0.14 -0.65 -0.26 0.00 0.00 0.00 0.00 54.91 54.14 3dji h ALA 29 Cb 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3dji h ALA 29 CO -0.30 0.75 -1.36 1.79 0.00 0.00 0.00 179.25 180.13 3dji h THR 30 N 0.34 1.31 -0.59 0.00 1.35 -1.32 -3.48 112.91 110.51 3dji h THR 30 Ca -0.06 -3.03 -0.02 0.00 -0.55 0.00 0.00 66.41 62.74 3dji h THR 30 Cb 1.47 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.60 3dji h THR 30 CO 0.16 0.79 -0.03 0.61 -0.25 0.00 0.00 175.52 176.80 3dji n GLY 31 N 1.50 0.53 3.43 5.82 0.00 0.73 -4.99 105.19 112.22 3dji n GLY 31 Ca -0.10 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.44 2.38 -0.22 1.61 1.02 -0.90 -5.04 119.74 114.16 3dji s LYS 32 Ca 0.01 -0.77 -0.37 0.00 0.02 0.00 0.00 55.97 54.87 3dji s LYS 32 Cb -0.01 -2.28 -0.13 0.00 -0.52 0.00 0.00 37.83 34.89 3dji s LYS 32 CO 0.02 0.60 1.90 -0.35 -0.92 0.00 0.00 175.35 176.60 3dji n PRO 33 N 2.32 1.58 -0.34 -1.68 -0.04 -1.26 -4.40 135.00 131.17 3dji n PRO 33 Ca -0.17 0.56 0.35 0.00 -0.04 0.00 0.00 63.50 64.19 3dji n PRO 33 Cb 0.52 -2.41 0.54 0.00 -0.04 0.00 0.00 33.50 32.10 3dji n PRO 33 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3dji h PRO 34 N 9.15 0.00 -0.59 0.54 0.13 -1.90 0.40 132.00 139.73 3dji h PRO 34 Ca -0.44 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.87 3dji h PRO 34 Cb 1.30 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3dji h PRO 34 CO 0.97 0.00 0.45 1.96 -0.23 0.00 0.00 178.00 181.14 3dji h GLN 35 N 0.00 0.00 -0.63 0.86 1.08 -1.97 0.93 115.11 115.38 3dji h GLN 35 Ca 0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 3dji h GLN 35 Cb 3.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 30.58 3dji h GLN 35 CO -0.01 0.00 0.00 0.66 -0.95 0.00 0.00 178.83 178.53 3dji n TYR 36 N -4.26 1.04 -3.29 2.96 4.01 0.14 -4.92 117.16 112.84 3dji n TYR 36 Ca 0.11 -0.54 -0.40 0.00 -0.16 0.00 0.00 57.90 56.91 3dji n TYR 36 Cb 0.68 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 39.55 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 -1.29 5.09 -0.15 -0.72 -1.09 0.32 -0.48 121.20 122.88 3dji s ILE 37 Ca 0.45 0.67 -0.02 0.00 -2.23 0.00 0.00 60.65 59.52 3dji s ILE 37 Cb 0.26 -3.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 3dji s ILE 37 CO 0.27 0.05 -0.08 0.00 -1.23 0.00 0.00 174.94 173.95 3dji s ALA 38 N 2.24 2.80 0.06 9.38 0.00 -0.25 -4.98 121.76 131.01 3dji s ALA 38 Ca 0.19 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.33 3dji s ALA 38 Cb -0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3dji s ALA 38 CO 0.10 0.13 -0.25 0.14 0.00 0.00 0.00 175.76 175.88 3dji s VAL 39 N 0.53 2.31 -0.10 0.00 -7.23 -1.26 -1.31 120.40 113.35 3dji s VAL 39 Ca -0.06 -1.42 -0.04 0.00 -1.81 0.00 0.00 61.98 58.65 3dji s VAL 39 Cb -0.15 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.90 3dji s VAL 39 CO 0.03 0.31 0.21 -2.28 -0.31 0.00 0.00 175.10 173.06 3dji s HIS 40 N -0.88 -0.29 -0.11 2.82 5.04 -0.48 -4.98 115.29 116.40 3dji s HIS 40 Ca 0.13 0.75 0.02 0.00 -1.54 0.00 0.00 55.06 54.42 3dji s HIS 40 Cb -0.10 -0.08 0.01 0.00 0.04 0.00 0.00 32.58 32.45 3dji s HIS 40 CO 0.04 -0.27 -0.17 0.08 -2.34 0.00 0.00 174.74 172.07 3dji s VAL 41 N 1.91 1.60 -0.35 0.89 1.01 -1.26 -1.10 120.40 123.11 3dji s VAL 41 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.28 3dji s VAL 41 Cb -0.12 -1.45 0.10 0.00 0.00 0.00 0.00 36.38 34.92 3dji s VAL 41 CO -0.07 0.46 0.06 -0.69 0.00 0.00 0.00 175.10 174.85 3dji s VAL 42 N 0.88 2.30 0.63 2.92 1.01 0.33 -4.98 120.40 123.49 3dji s VAL 42 Ca -0.08 -2.37 -0.04 0.00 0.00 0.00 0.00 61.98 59.48 3dji s VAL 42 Cb -0.15 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.66 3dji s VAL 42 CO -0.00 -0.61 0.86 -0.81 0.00 0.00 0.00 175.10 174.54 3dji n PRO 43 N 4.22 -0.29 -3.17 2.72 -0.04 -1.26 -1.46 135.00 135.72 3dji n PRO 43 Ca 0.04 -1.96 -0.22 0.00 -0.04 0.00 0.00 63.50 61.32 3dji n PRO 43 Cb 0.42 -0.70 0.01 0.00 -0.04 0.00 0.00 33.50 33.19 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 -3.17 -4.45 -4.89 3.54 8.00 -0.11 -4.83 116.55 110.64 3dji n ASP 44 Ca 0.13 -0.30 -0.29 0.00 0.71 0.00 0.00 54.79 55.04 3dji n ASP 44 Cb 0.46 -3.66 -0.01 0.00 -0.02 0.00 0.00 41.12 37.89 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 -5.82 3.65 -0.57 -1.24 -1.52 -0.49 -4.95 119.66 108.72 3dji s GLN 45 Ca 0.33 0.43 -0.18 0.00 -1.95 0.00 0.00 55.36 54.00 3dji s GLN 45 Cb -0.17 -2.31 0.11 0.00 -0.22 0.00 0.00 33.01 30.43 3dji s GLN 45 CO 0.41 -0.22 0.63 -1.17 -0.25 0.00 0.00 175.29 174.69 3dji s LEU 46 N -4.49 5.68 0.24 2.90 2.96 -1.26 -4.22 118.68 120.49 3dji s LEU 46 Ca 0.51 -1.57 -0.07 0.00 -0.22 0.00 0.00 54.13 52.77 3dji s LEU 46 Cb -0.10 -2.27 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 3dji s LEU 46 CO 0.41 -1.02 0.36 0.00 -1.32 0.00 0.00 176.35 174.78 3dji s MET 47 N 2.29 1.47 0.02 1.98 0.23 -1.26 -5.08 119.30 118.96 3dji s MET 47 Ca 0.08 -1.45 -0.13 0.00 -1.03 0.00 0.00 55.69 53.17 3dji s MET 47 Cb -0.26 0.40 0.02 0.00 -1.53 0.00 0.00 34.83 33.45 3dji s MET 47 CO 0.05 -0.57 0.28 0.00 -2.03 0.00 0.00 175.02 172.74 3dji s ALA 48 N -3.95 -0.64 -0.11 3.16 0.00 -1.26 -4.65 121.76 114.31 3dji s ALA 48 Ca 0.29 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 3dji s ALA 48 Cb 0.02 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.40 3dji s ALA 48 CO 0.12 -0.34 -0.01 0.12 0.00 0.00 0.00 175.76 175.64 3dji s PHE 49 N -2.10 0.97 -1.20 0.00 2.19 -0.11 -4.70 117.98 113.02 3dji s PHE 49 Ca -0.08 -0.49 0.00 0.00 0.33 0.00 0.00 56.93 56.69 3dji s PHE 49 Cb -0.03 -0.97 0.00 0.00 -1.31 0.00 0.00 43.02 40.72 3dji s PHE 49 CO -0.01 -0.45 0.00 0.41 1.83 0.00 0.00 175.22 177.01 3dji n GLY 50 N 5.07 0.25 2.39 13.12 0.00 -1.26 -2.46 105.19 122.30 3dji n GLY 50 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.11 2.12 3.81 -0.02 0.00 -1.26 -5.03 105.19 103.71 3dji n GLY 51 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.49 5.73 -0.28 1.61 0.15 -1.03 -5.02 113.70 111.37 3dji s SER 52 Ca 0.00 0.06 0.12 0.00 0.70 0.00 0.00 55.95 56.83 3dji s SER 52 Cb 0.00 -1.60 0.79 0.00 -1.71 0.00 0.00 66.02 63.50 3dji s SER 52 CO 0.00 0.17 1.78 -1.20 1.20 0.00 0.00 173.24 175.19 3dji n SER 53 N 0.41 5.33 -4.78 5.45 7.64 -1.26 -0.94 113.62 125.47 3dji n SER 53 Ca -0.08 -3.07 -0.33 0.00 1.01 0.00 0.00 58.87 56.40 3dji n SER 53 Cb 0.51 -0.71 0.03 0.00 -1.01 0.00 0.00 64.21 63.03 3dji n SER 53 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3dji s GLU 54 N -2.88 3.01 0.05 1.43 0.41 -1.26 -4.88 118.70 114.58 3dji s GLU 54 Ca 0.55 1.40 -0.34 0.00 -0.41 0.00 0.00 54.97 56.17 3dji s GLU 54 Cb 0.43 -1.98 -0.18 0.00 -1.78 0.00 0.00 34.13 30.62 3dji s GLU 54 CO 0.15 -1.08 0.85 -2.30 -0.49 0.00 0.00 175.26 172.39 3dji n PRO 55 N -2.10 0.00 -3.85 0.39 -0.02 -1.26 -4.76 135.00 123.39 3dji n PRO 55 Ca 0.10 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.51 3dji n PRO 55 Cb 0.52 -1.27 -0.01 0.00 -0.02 0.00 0.00 33.50 32.72 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 -3.54 -1.57 -0.21 0.00 0.00 -0.62 -3.52 121.76 112.30 3dji s ALA 57 Ca 0.12 1.42 0.02 0.00 0.00 0.00 0.00 51.96 53.52 3dji s ALA 57 Cb -0.06 -0.45 0.03 0.00 0.00 0.00 0.00 23.12 22.64 3dji s ALA 57 CO 0.08 -0.33 -0.17 -0.51 0.00 0.00 0.00 175.76 174.84 3dji s LEU 58 N -0.53 2.57 0.35 0.00 1.43 -0.49 -1.37 118.68 120.63 3dji s LEU 58 Ca -0.06 -0.90 0.04 0.00 -1.03 0.00 0.00 54.13 52.17 3dji s LEU 58 Cb -0.03 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.64 3dji s LEU 58 CO 0.05 -0.07 0.06 0.00 0.23 0.00 0.00 176.35 176.62 3dji s SER 60 N -3.54 -0.15 -0.17 0.00 1.04 -0.29 -1.62 113.70 108.96 3dji s SER 60 Ca 0.34 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.98 3dji s SER 60 Cb 0.08 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.60 3dji s SER 60 CO 0.15 -0.22 -0.10 -0.22 0.98 0.00 0.00 173.24 173.83 3dji s LEU 61 N -0.55 1.89 -0.07 2.42 2.96 -0.08 -1.37 118.68 123.88 3dji s LEU 61 Ca -0.07 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 3dji s LEU 61 Cb -0.04 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 3dji s LEU 61 CO 0.01 -0.13 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.86 3dji s HIS 62 N 1.50 2.98 -0.15 5.38 3.76 0.58 -1.08 115.29 128.27 3dji s HIS 62 Ca 0.01 0.06 -0.29 0.00 -0.15 0.00 0.00 55.06 54.68 3dji s HIS 62 Cb -0.15 -1.72 0.11 0.00 1.11 0.00 0.00 32.58 31.93 3dji s HIS 62 CO -0.09 0.37 0.90 0.45 -0.85 0.00 0.00 174.74 175.52 3dji s SER 63 N -0.88 -0.48 -0.65 1.40 0.15 -1.06 -0.69 113.70 111.49 3dji s SER 63 Ca 0.13 0.61 -0.26 0.00 0.70 0.00 0.00 55.95 57.13 3dji s SER 63 Cb -0.11 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 3dji s SER 63 CO 0.02 -0.38 1.14 -0.63 1.20 0.00 0.00 173.24 174.59 3dji s ILE 64 N -0.87 4.03 0.00 6.45 1.01 -1.25 -0.08 121.20 130.49 3dji s ILE 64 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3dji s ILE 64 Cb -0.01 -4.76 0.00 0.00 0.01 0.00 0.00 42.46 37.70 3dji s ILE 64 CO 0.03 -1.51 0.00 0.61 0.00 0.00 0.00 174.94 174.07 3dji n GLY 65 N 5.23 -1.62 2.14 6.18 0.00 -1.26 -4.93 105.19 110.93 3dji n GLY 65 Ca 0.03 -1.52 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.83 -1.04 -3.85 1.61 4.76 -1.26 -4.92 118.16 111.63 3dji n LYS 66 Ca 0.00 0.31 -0.29 0.00 -2.87 0.00 0.00 58.31 55.46 3dji n LYS 66 Cb 0.00 -4.05 -0.16 0.00 -1.84 0.00 0.00 35.03 28.98 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 -2.53 1.07 0.25 -0.18 -1.09 -1.26 -4.86 121.20 112.60 3dji s ILE 67 Ca 0.05 -0.88 -0.14 0.00 -2.23 0.00 0.00 60.65 57.45 3dji s ILE 67 Cb -0.02 -1.42 -0.00 0.00 -1.58 0.00 0.00 42.46 39.44 3dji s ILE 67 CO 0.06 -0.12 0.50 -0.83 -1.23 0.00 0.00 174.94 173.32 3dji s GLY 68 N 1.61 0.45 0.10 6.18 0.00 -1.26 -4.98 107.32 109.42 3dji s GLY 68 Ca -0.03 -0.80 -0.23 0.00 0.00 0.00 0.00 44.72 43.66 3dji s GLY 68 CO -0.07 -0.57 1.72 -1.33 0.00 0.00 0.00 173.10 172.85 3dji h GLY 69 N 2.24 -0.07 0.79 0.20 0.00 -1.99 0.59 103.07 104.82 3dji h GLY 69 Ca -0.26 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3dji h GLY 69 CO 0.35 -0.05 -0.18 0.00 0.00 0.00 0.00 176.54 176.65 3dji h ALA 70 N 0.88 -0.37 -0.74 3.60 0.00 -2.01 -2.86 119.26 117.77 3dji h ALA 70 Ca 0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3dji h ALA 70 Cb 0.11 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3dji h ALA 70 CO -0.04 -0.73 0.28 1.96 0.00 0.00 0.00 179.25 180.72 3dji h GLN 71 N -0.40 1.12 -0.11 0.00 4.20 -1.86 -2.66 115.11 115.40 3dji h GLN 71 Ca 0.00 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 3dji h GLN 71 Cb 0.37 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3dji h GLN 71 CO -0.04 0.93 -0.16 -0.91 -0.67 0.00 0.00 178.83 177.97 3dji h ASN 72 N 1.07 0.17 -0.55 1.46 2.35 0.21 -1.43 115.58 118.87 3dji h ASN 72 Ca 0.24 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 3dji h ASN 72 Cb 0.24 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 3dji h ASN 72 CO -0.02 0.35 0.01 0.03 -1.65 0.00 0.00 177.43 176.16 3dji h ARG 73 N 0.17 0.99 -0.43 0.81 3.08 -1.24 -0.70 114.38 117.06 3dji h ARG 73 Ca 0.03 -0.30 -0.12 0.00 0.07 0.00 0.00 59.98 59.67 3dji h ARG 73 Cb 0.40 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3dji h ARG 73 CO 0.03 0.97 -0.20 0.77 -1.07 0.00 0.00 179.97 180.47 3dji h SER 74 N 0.91 0.87 -0.52 7.04 0.02 -1.26 -2.15 113.55 118.46 3dji h SER 74 Ca 0.17 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.72 3dji h SER 74 Cb 0.52 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3dji h SER 74 CO 0.03 1.04 -0.01 1.88 -1.14 0.00 0.00 176.83 178.63 3dji h TYR 75 N 0.75 1.01 -0.44 3.45 0.05 -1.03 -1.98 116.97 118.79 3dji h TYR 75 Ca 0.11 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.71 3dji h TYR 75 Cb 0.73 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 3dji h TYR 75 CO 0.04 0.94 0.28 0.77 -1.05 0.00 0.00 178.16 179.14 3dji h SER 76 N 0.80 0.52 0.05 3.88 0.02 -0.93 0.52 113.55 118.40 3dji h SER 76 Ca 0.15 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3dji h SER 76 Cb 0.54 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3dji h SER 76 CO 0.03 0.40 -0.02 0.50 -1.14 0.00 0.00 176.83 176.60 3dji h LYS 77 N 0.59 -0.06 -0.08 3.45 3.64 -1.30 0.93 116.57 123.74 3dji h LYS 77 Ca 0.16 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3dji h LYS 77 Cb -0.03 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3dji h LYS 77 CO -0.03 -0.04 -0.07 1.25 -2.27 0.00 0.00 179.45 178.29 3dji h LEU 78 N -0.06 -0.21 -0.32 5.20 5.85 -0.89 0.45 115.31 125.32 3dji h LEU 78 Ca -0.01 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3dji h LEU 78 Cb 0.05 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3dji h LEU 78 CO 0.01 -0.09 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.78 3dji h LEU 79 N -0.08 0.71 -0.82 2.25 3.38 0.14 -1.90 115.31 118.99 3dji h LEU 79 Ca 0.06 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.54 3dji h LEU 79 Cb 0.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3dji h LEU 79 CO -0.13 0.96 0.02 0.00 0.09 0.00 0.00 178.44 179.38 3dji h GLY 81 N 1.00 0.61 0.99 0.00 0.00 -0.77 -1.19 103.07 103.71 3dji h GLY 81 Ca 0.16 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3dji h GLY 81 CO 0.02 0.12 0.09 1.41 0.00 0.00 0.00 176.54 178.19 3dji h LEU 82 N 0.47 0.81 -0.70 3.11 3.38 -0.91 -2.44 115.31 119.03 3dji h LEU 82 Ca 0.19 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3dji h LEU 82 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3dji h LEU 82 CO -0.12 0.86 0.12 -0.07 0.09 0.00 0.00 178.44 179.32 3dji h LEU 83 N 0.73 1.07 -0.30 1.67 3.38 -0.94 -0.35 115.31 120.57 3dji h LEU 83 Ca 0.16 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3dji h LEU 83 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dji h LEU 83 CO 0.01 1.05 -0.04 0.00 0.09 0.00 0.00 178.44 179.55 3dji h ALA 84 N 1.07 0.41 0.15 1.53 0.00 -1.12 -0.22 119.26 121.09 3dji h ALA 84 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3dji h ALA 84 Cb 0.43 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dji h ALA 84 CO 0.01 0.19 -0.07 1.49 0.00 0.00 0.00 179.25 180.87 3dji h GLU 85 N 0.33 -0.20 0.22 0.00 4.81 -1.32 -0.41 114.58 118.02 3dji h GLU 85 Ca 0.08 0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 59.00 3dji h GLU 85 Cb 0.50 0.05 0.03 0.00 0.63 0.00 0.00 28.75 29.95 3dji h GLU 85 CO 0.02 0.20 -1.43 0.00 -0.73 0.00 0.00 179.01 177.08 3dji h ARG 86 N -0.68 0.47 -0.01 1.92 2.47 -1.17 -3.37 114.38 114.01 3dji h ARG 86 Ca -0.02 -0.80 0.00 0.00 -1.26 0.00 0.00 59.98 57.90 3dji h ARG 86 Cb 0.50 0.30 0.00 0.00 -1.65 0.00 0.00 29.97 29.11 3dji h ARG 86 CO 0.03 1.38 -0.09 1.28 0.56 0.00 0.00 179.97 183.14 3dji n LEU 87 N -3.66 1.91 -3.73 3.04 4.77 -0.20 -4.66 117.00 114.46 3dji n LEU 87 Ca -0.15 -0.92 -0.25 0.00 -0.03 0.00 0.00 56.01 54.66 3dji n LEU 87 Cb 1.09 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 42.22 3dji n LEU 87 CO 0.59 0.36 0.08 0.54 -1.33 0.00 0.00 177.39 177.63 3dji n ARG 88 N 0.46 -5.96 -4.11 3.23 1.74 -0.16 -4.94 116.66 106.92 3dji n ARG 88 Ca 0.07 0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 57.48 3dji n ARG 88 Cb 0.32 -5.52 -0.11 0.00 -1.02 0.00 0.00 32.46 26.13 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 -3.42 4.32 0.30 0.55 1.01 -0.98 -4.93 121.20 118.04 3dji s ILE 89 Ca 0.37 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3dji s ILE 89 Cb -0.18 -2.94 -0.10 0.00 0.01 0.00 0.00 42.46 39.25 3dji s ILE 89 CO 0.79 0.45 1.31 -0.55 0.00 0.00 0.00 174.94 176.95 3dji s SER 90 N 0.64 6.80 0.44 3.58 0.15 -1.26 -2.98 113.70 121.05 3dji s SER 90 Ca 0.01 2.64 0.14 0.00 0.70 0.00 0.00 55.95 59.44 3dji s SER 90 Cb -0.14 -2.64 1.04 0.00 -1.71 0.00 0.00 66.02 62.57 3dji s SER 90 CO 0.02 -0.54 1.98 -0.65 1.20 0.00 0.00 173.24 175.25 3dji h PRO 91 N 3.83 0.39 0.00 5.44 0.11 -1.96 -0.67 132.00 139.13 3dji h PRO 91 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dji h PRO 91 Cb 1.22 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dji h PRO 91 CO 0.68 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.33 3dji n ASP 92 N -4.47 0.00 -1.00 -2.05 3.85 -1.26 -2.48 116.55 109.14 3dji n ASP 92 Ca 0.10 -0.52 -0.02 0.00 -0.71 0.00 0.00 54.79 53.64 3dji n ASP 92 Cb 0.38 -0.09 0.17 0.00 -1.35 0.00 0.00 41.12 40.24 3dji n ASP 92 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3dji n ARG 93 N -1.09 2.02 -4.42 0.11 1.74 -0.26 -4.99 116.66 109.78 3dji n ARG 93 Ca 0.15 -3.45 -0.21 0.00 -0.77 0.00 0.00 57.85 53.57 3dji n ARG 93 Cb 0.11 -1.79 -0.16 0.00 -1.02 0.00 0.00 32.46 29.60 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 -3.52 0.85 0.01 1.55 1.01 -1.04 -1.59 120.40 117.67 3dji s VAL 94 Ca 0.42 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 62.12 3dji s VAL 94 Cb 0.39 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.97 3dji s VAL 94 CO -0.04 0.27 -0.25 -0.31 0.00 0.00 0.00 175.10 174.78 3dji s TYR 95 N 0.41 2.22 -0.11 5.22 2.02 -0.47 -5.00 117.35 121.64 3dji s TYR 95 Ca -0.07 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.20 3dji s TYR 95 Cb -0.11 -1.39 0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3dji s TYR 95 CO 0.01 0.02 0.01 0.42 -1.57 0.00 0.00 175.55 174.45 3dji s ILE 96 N -0.67 0.41 -0.13 2.71 1.01 -1.26 -0.97 121.20 122.30 3dji s ILE 96 Ca 0.10 -0.07 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 3dji s ILE 96 Cb -0.10 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 3dji s ILE 96 CO 0.00 0.12 0.51 0.20 0.00 0.00 0.00 174.94 175.77 3dji s ASN 97 N 1.94 6.70 -0.14 3.58 0.01 -0.64 -4.95 114.94 121.44 3dji s ASN 97 Ca 0.03 0.83 -0.05 0.00 -0.71 0.00 0.00 52.86 52.96 3dji s ASN 97 Cb -0.14 -2.30 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 3dji s ASN 97 CO -0.06 -0.04 0.06 -0.31 -1.51 0.00 0.00 177.10 175.23 3dji s TYR 98 N 0.82 3.30 -0.12 2.20 1.51 -1.26 -0.90 117.35 122.89 3dji s TYR 98 Ca 0.27 0.21 0.00 0.00 -1.01 0.00 0.00 57.07 56.54 3dji s TYR 98 Cb -0.15 -1.95 0.02 0.00 -0.11 0.00 0.00 41.96 39.77 3dji s TYR 98 CO 0.11 0.38 -0.11 0.71 -1.11 0.00 0.00 175.55 175.53 3dji s TYR 99 N -0.35 1.76 -0.66 2.71 1.51 -0.24 -4.97 117.35 117.11 3dji s TYR 99 Ca 0.09 -0.90 -0.20 0.00 -1.01 0.00 0.00 57.07 55.05 3dji s TYR 99 Cb -0.12 -1.36 0.10 0.00 -0.11 0.00 0.00 41.96 40.47 3dji s TYR 99 CO 0.02 -0.54 0.83 0.34 -1.11 0.00 0.00 175.55 175.09 3dji s ASP 100 N 1.48 6.26 0.05 2.29 -1.08 -1.26 -2.58 116.67 121.83 3dji s ASP 100 Ca 0.02 -1.45 -0.27 0.00 -0.52 0.00 0.00 52.55 50.34 3dji s ASP 100 Cb -0.13 -2.34 -0.05 0.00 -1.46 0.00 0.00 42.92 38.94 3dji s ASP 100 CO -0.07 -1.18 0.84 -0.04 0.52 0.00 0.00 175.17 175.24 3dji s MET 101 N 2.96 4.56 0.14 4.34 -1.94 0.89 -4.85 119.30 125.39 3dji s MET 101 Ca 0.17 1.20 -0.30 0.00 -1.71 0.00 0.00 55.69 55.05 3dji s MET 101 Cb -0.19 -3.39 -0.07 0.00 2.01 0.00 0.00 34.83 33.19 3dji s MET 101 CO 0.05 0.19 1.19 -0.80 -0.01 0.00 0.00 175.02 175.64 3dji s ASN 102 N 0.20 7.10 0.54 3.03 0.01 -1.26 -3.91 114.94 120.64 3dji s ASN 102 Ca 0.43 2.15 0.32 0.00 -0.71 0.00 0.00 52.86 55.04 3dji s ASN 102 Cb -0.21 -2.60 1.49 0.00 0.41 0.00 0.00 41.25 40.34 3dji s ASN 102 CO 0.25 -0.39 1.87 0.00 -1.51 0.00 0.00 177.10 177.32 3dji h ALA 103 N 5.77 2.85 0.00 0.60 0.00 -1.94 0.32 119.26 126.86 3dji h ALA 103 Ca -0.43 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 3dji h ALA 103 Cb 1.21 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3dji h ALA 103 CO 0.77 -1.14 -0.31 0.00 0.00 0.00 0.00 179.25 178.56 3dji h ALA 104 N 1.51 1.32 -0.48 0.00 0.00 -1.90 -2.79 119.26 116.93 3dji h ALA 104 Ca 0.43 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dji h ALA 104 Cb 1.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3dji h ALA 104 CO -0.00 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.72 3dji n ASN 105 N -3.93 3.30 -4.07 0.00 3.02 0.11 -4.72 115.26 108.97 3dji n ASN 105 Ca -0.02 -2.22 -0.32 0.00 -0.03 0.00 0.00 54.58 51.99 3dji n ASN 105 Cb 0.38 -0.44 -0.15 0.00 -0.61 0.00 0.00 39.78 38.96 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 -1.62 2.24 0.29 2.41 1.01 -1.13 -4.93 120.40 118.66 3dji s VAL 106 Ca 0.36 -1.77 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 3dji s VAL 106 Cb 0.22 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 3dji s VAL 106 CO 0.19 -0.15 0.81 -0.83 0.00 0.00 0.00 175.10 175.12 3dji s GLY 107 N 1.07 2.58 -0.26 4.51 0.00 -1.26 -2.40 107.32 111.56 3dji s GLY 107 Ca -0.05 0.25 -0.26 0.00 0.00 0.00 0.00 44.72 44.66 3dji s GLY 107 CO -0.05 0.59 1.15 0.86 0.00 0.00 0.00 173.10 175.65 3dji s TRP 108 N -1.71 -0.32 -1.32 1.90 -0.00 0.18 -4.93 118.94 112.74 3dji s TRP 108 Ca 0.49 0.73 -0.06 0.00 -0.00 0.00 0.00 56.10 57.26 3dji s TRP 108 Cb -0.15 0.42 -0.00 0.00 -0.00 0.00 0.00 33.47 33.74 3dji s TRP 108 CO 0.20 -0.19 0.55 -1.71 -0.00 0.00 0.00 176.95 175.81 3dji n ASN 109 N 1.65 -1.79 0.00 5.86 5.15 -1.26 -0.87 115.26 123.99 3dji n ASN 109 Ca -0.11 -0.99 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 3dji n ASN 109 Cb 0.57 -3.23 0.00 0.00 -0.53 0.00 0.00 39.78 36.58 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 -2.90 -2.14 0.00 1.20 3.02 -1.26 -4.86 115.26 108.32 3dji n ASN 110 Ca -0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 3dji n ASN 110 Cb 0.66 -2.35 0.00 0.00 -0.61 0.00 0.00 39.78 37.48 3dji n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3dji n SER 111 N -0.32 0.00 -4.43 6.41 2.88 -0.05 -5.18 113.62 112.93 3dji n SER 111 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 3dji n SER 111 Cb 0.16 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.52 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 -0.77 1.95 -1.71 2.46 -4.23 -1.26 0.51 115.64 112.59 3dji s THR 112 Ca 0.00 -2.23 0.19 0.00 -1.18 0.00 0.00 61.69 58.47 3dji s THR 112 Cb 0.00 -2.33 0.44 0.00 1.34 0.00 0.00 72.50 71.94 3dji s THR 112 CO 0.00 -0.39 1.55 0.49 -0.54 0.00 0.00 174.62 175.73 3dji n PHE 113 N -0.57 0.00 0.00 3.99 3.72 -1.01 -4.86 117.46 118.74 3dji n PHE 113 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 3dji n PHE 113 Cb 0.62 -0.14 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3dji n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71