#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djh s MET 2 N 0.00 1.02 -0.14 -0.52 1.75 -0.02 -0.65 119.30 120.74 3djh s MET 2 Ca 0.00 -0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.38 3djh s MET 2 Cb 0.00 -1.19 0.00 0.00 2.84 0.00 0.00 34.83 36.49 3djh s MET 2 CO 0.00 -0.24 -0.19 0.12 -0.65 0.00 0.00 175.02 174.06 3djh s PHE 3 N 1.64 2.71 -0.08 4.11 5.36 -0.04 -1.01 117.98 130.67 3djh s PHE 3 Ca 0.01 -1.20 0.04 0.00 -0.96 0.00 0.00 56.93 54.83 3djh s PHE 3 Cb -0.13 -1.84 -0.00 0.00 -0.34 0.00 0.00 43.02 40.71 3djh s PHE 3 CO -0.05 -0.54 -0.21 0.42 -1.46 0.00 0.00 175.22 173.37 3djh s ILE 4 N 0.79 1.84 -0.15 3.12 -1.09 -0.36 -0.86 121.20 124.49 3djh s ILE 4 Ca -0.07 -0.91 0.01 0.00 -2.23 0.00 0.00 60.65 57.46 3djh s ILE 4 Cb -0.16 -1.59 0.02 0.00 -1.58 0.00 0.00 42.46 39.15 3djh s ILE 4 CO -0.01 0.51 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.36 3djh s VAL 5 N 0.27 1.75 -0.17 2.92 1.01 -0.05 -1.18 120.40 124.94 3djh s VAL 5 Ca -0.14 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.02 3djh s VAL 5 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3djh s VAL 5 CO 0.06 0.49 0.00 0.20 0.00 0.00 0.00 175.10 175.86 3djh s ASN 6 N 1.22 5.09 0.01 3.32 0.01 -0.04 -0.06 114.94 124.49 3djh s ASN 6 Ca 0.00 -0.07 -0.11 0.00 -0.71 0.00 0.00 52.86 51.98 3djh s ASN 6 Cb -0.14 -1.85 0.01 0.00 0.41 0.00 0.00 41.25 39.68 3djh s ASN 6 CO -0.08 0.15 0.21 0.28 -1.51 0.00 0.00 177.10 176.16 3djh s THR 7 N 0.49 0.08 -1.63 1.60 -1.32 -0.25 -0.80 115.64 113.82 3djh s THR 7 Ca -0.01 -0.68 0.29 0.00 -1.21 0.00 0.00 61.69 60.08 3djh s THR 7 Cb -0.14 -0.64 0.48 0.00 -1.51 0.00 0.00 72.50 70.69 3djh s THR 7 CO 0.02 -0.37 1.90 -0.46 -2.21 0.00 0.00 174.62 173.49 3djh n ASN 8 N 1.15 0.39 -4.76 8.08 6.94 -1.23 -1.02 115.26 124.80 3djh n ASN 8 Ca -0.21 -0.52 -0.41 0.00 -0.02 0.00 0.00 54.58 53.41 3djh n ASN 8 Cb 0.57 -0.10 -0.01 0.00 -2.36 0.00 0.00 39.78 37.87 3djh n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3djh s VAL 9 N -2.47 2.10 0.64 3.53 1.01 -1.26 -4.26 120.40 119.69 3djh s VAL 9 Ca 0.29 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 3djh s VAL 9 Cb 0.20 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3djh s VAL 9 CO 0.47 0.02 1.08 -2.16 0.00 0.00 0.00 175.10 174.50 3djh s PRO 10 N -0.96 3.01 0.29 2.72 0.04 -1.26 -1.00 135.00 137.84 3djh s PRO 10 Ca 0.60 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3djh s PRO 10 Cb -0.47 -1.99 0.64 0.00 0.04 0.00 0.00 34.50 32.72 3djh s PRO 10 CO 0.52 -1.06 1.77 -0.09 0.04 0.00 0.00 177.00 178.19 3djh h ARG 11 N 0.02 0.70 0.00 4.56 9.65 -1.93 -0.84 114.38 126.55 3djh h ARG 11 Ca -0.46 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.38 3djh h ARG 11 Cb 1.23 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.65 3djh h ARG 11 CO 0.56 0.47 -0.00 0.00 2.80 0.00 0.00 179.97 183.79 3djh h ALA 12 N 1.61 1.01 -0.01 2.80 0.00 -2.03 -1.71 119.26 120.92 3djh h ALA 12 Ca 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3djh h ALA 12 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3djh h ALA 12 CO -0.37 0.01 -0.07 0.43 0.00 0.00 0.00 179.25 179.25 3djh n SER 13 N -3.11 1.50 -4.60 0.00 7.64 -0.32 -4.76 113.62 109.97 3djh n SER 13 Ca -0.02 -1.39 -0.42 0.00 1.01 0.00 0.00 58.87 58.05 3djh n SER 13 Cb 0.17 0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.36 3djh n SER 13 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3djh s VAL 14 N -2.13 4.74 0.51 0.44 1.01 -0.65 -4.69 120.40 119.63 3djh s VAL 14 Ca 0.34 1.07 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 3djh s VAL 14 Cb 0.20 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 3djh s VAL 14 CO 0.38 -0.36 1.10 -2.16 0.00 0.00 0.00 175.10 174.06 3djh s PRO 15 N 3.08 3.59 0.26 2.72 0.04 -1.26 -4.96 135.00 138.47 3djh s PRO 15 Ca 0.33 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 3djh s PRO 15 Cb -0.13 -2.10 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 3djh s PRO 15 CO 0.15 -0.64 1.31 -0.25 0.04 0.00 0.00 177.00 177.61 3djh n ASP 16 N -1.05 2.40 0.00 6.66 8.00 -1.26 -2.20 116.55 129.10 3djh n ASP 16 Ca 0.10 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.76 3djh n ASP 16 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 3djh n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3djh n GLY 17 N 1.77 0.95 0.28 0.44 0.00 -1.26 -4.97 105.19 102.40 3djh n GLY 17 Ca 0.11 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 3djh n GLY 17 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3djh h PHE 18 N 0.00 0.89 -0.67 1.61 3.57 -1.82 -1.14 116.94 119.37 3djh h PHE 18 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3djh h PHE 18 Cb 0.00 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 3djh h PHE 18 CO 0.00 0.56 0.32 -0.07 -2.23 0.00 0.00 178.31 176.89 3djh h LEU 19 N 0.96 0.86 -0.42 0.59 4.07 -1.93 -0.79 115.31 118.64 3djh h LEU 19 Ca 0.26 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 58.03 3djh h LEU 19 Cb -0.11 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.40 3djh h LEU 19 CO -0.06 0.73 -0.12 0.28 -1.08 0.00 0.00 178.44 178.19 3djh h SER 20 N 0.95 0.83 -0.51 -0.43 0.02 -1.84 -1.29 113.55 111.28 3djh h SER 20 Ca 0.23 -0.37 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3djh h SER 20 Cb 0.10 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3djh h SER 20 CO -0.03 1.01 0.29 -0.08 -1.14 0.00 0.00 176.83 176.88 3djh h GLU 21 N 0.64 0.70 -0.38 3.45 4.81 -0.83 -0.35 114.58 122.63 3djh h GLU 21 Ca 0.10 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3djh h GLU 21 Cb 0.66 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 3djh h GLU 21 CO 0.05 0.54 0.23 -0.07 -0.73 0.00 0.00 179.01 179.02 3djh h LEU 22 N 0.68 0.37 -0.18 1.64 3.38 -1.09 -1.60 115.31 118.51 3djh h LEU 22 Ca 0.18 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.18 3djh h LEU 22 Cb 0.03 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3djh h LEU 22 CO -0.03 0.27 -0.01 0.74 0.09 0.00 0.00 178.44 179.49 3djh h THR 23 N 0.46 0.86 -0.01 0.22 2.02 -0.80 -0.63 112.91 115.03 3djh h THR 23 Ca 0.15 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3djh h THR 23 Cb -0.00 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.22 3djh h THR 23 CO -0.07 0.01 0.00 1.56 0.37 0.00 0.00 175.52 177.39 3djh h GLN 24 N 0.04 0.01 -0.02 6.66 4.20 -0.93 -1.55 115.11 123.51 3djh h GLN 24 Ca 0.09 -0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.63 3djh h GLN 24 Cb 0.11 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3djh h GLN 24 CO -0.16 0.01 -0.74 1.96 -0.67 0.00 0.00 178.83 179.22 3djh h GLN 25 N 0.01 0.18 -0.50 1.46 4.20 -1.17 -2.19 115.11 117.09 3djh h GLN 25 Ca 0.01 -0.16 -0.13 0.00 0.06 0.00 0.00 58.65 58.43 3djh h GLN 25 Cb 0.00 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3djh h GLN 25 CO -0.01 0.84 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.74 3djh h LEU 26 N 0.11 1.02 -0.39 1.46 3.38 -1.07 -0.63 115.31 119.20 3djh h LEU 26 Ca -0.02 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.62 3djh h LEU 26 Cb 1.31 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3djh h LEU 26 CO 0.11 1.17 0.15 0.00 0.09 0.00 0.00 178.44 179.96 3djh h ALA 27 N 0.91 0.47 -0.49 1.53 0.00 -1.04 -0.10 119.26 120.54 3djh h ALA 27 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3djh h ALA 27 Cb 0.76 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3djh h ALA 27 CO 0.06 -0.23 0.03 1.96 0.00 0.00 0.00 179.25 181.08 3djh h GLN 28 N 0.33 0.84 -0.29 0.00 4.20 -1.28 0.12 115.11 119.02 3djh h GLN 28 Ca 0.18 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 3djh h GLN 28 Cb 0.14 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 3djh h GLN 28 CO -0.16 0.86 -0.31 0.00 -0.67 0.00 0.00 178.83 178.54 3djh h ALA 29 N 0.94 0.43 0.00 3.87 0.00 -0.87 -3.22 119.26 120.41 3djh h ALA 29 Ca 0.14 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3djh h ALA 29 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3djh h ALA 29 CO 0.02 0.46 -0.48 1.79 0.00 0.00 0.00 179.25 181.04 3djh h THR 30 N 0.47 0.00 0.00 0.00 1.35 -1.03 -3.48 112.91 110.22 3djh h THR 30 Ca 0.04 -0.69 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3djh h THR 30 Cb 0.89 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3djh h THR 30 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 3djh n GLY 31 N 1.26 1.62 3.82 5.82 0.00 0.01 -4.94 105.19 112.77 3djh n GLY 31 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3djh n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djh s LYS 32 N -0.07 4.08 0.34 1.61 -0.14 -1.08 -4.98 119.74 119.51 3djh s LYS 32 Ca 0.00 1.13 -0.29 0.00 -1.36 0.00 0.00 55.97 55.46 3djh s LYS 32 Cb 0.00 -2.15 -0.11 0.00 -1.68 0.00 0.00 37.83 33.89 3djh s LYS 32 CO 0.00 -0.16 1.41 -2.14 -0.76 0.00 0.00 175.35 173.69 3djh s PRO 33 N -3.37 4.23 0.50 -1.68 0.02 -1.26 -4.58 135.00 128.87 3djh s PRO 33 Ca 0.62 2.39 0.25 0.00 0.02 0.00 0.00 61.00 64.28 3djh s PRO 33 Cb -0.11 -3.03 1.33 0.00 0.02 0.00 0.00 34.50 32.72 3djh s PRO 33 CO 0.18 -0.37 1.94 -1.35 -0.33 0.00 0.00 177.00 177.06 3djh h PRO 34 N 3.44 0.11 -0.02 5.54 0.11 -1.91 -1.23 132.00 138.04 3djh h PRO 34 Ca -0.49 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.62 3djh h PRO 34 Cb 1.23 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 3djh h PRO 34 CO 0.67 0.07 0.02 -0.56 -0.21 0.00 0.00 178.00 177.99 3djh h GLN 35 N 0.11 0.00 -0.02 1.05 3.07 -1.98 -1.82 115.11 115.52 3djh h GLN 35 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.09 3djh h GLN 35 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.76 3djh h GLN 35 CO -0.04 0.00 -0.17 0.66 0.09 0.00 0.00 178.83 179.37 3djh n TYR 36 N -3.90 0.00 -3.14 0.06 4.01 -0.46 -4.90 117.16 108.83 3djh n TYR 36 Ca -0.03 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.32 3djh n TYR 36 Cb 0.11 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 39.04 3djh n TYR 36 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3djh s ILE 37 N -2.24 5.03 -0.06 -0.72 -1.09 -0.69 -2.34 121.20 119.10 3djh s ILE 37 Ca 0.28 1.15 0.02 0.00 -2.23 0.00 0.00 60.65 59.87 3djh s ILE 37 Cb 0.20 -3.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3djh s ILE 37 CO 0.43 0.12 -0.09 0.00 -1.23 0.00 0.00 174.94 174.17 3djh s ALA 38 N 1.86 2.89 0.04 9.38 0.00 0.17 -4.99 121.76 131.12 3djh s ALA 38 Ca 0.28 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3djh s ALA 38 Cb -0.16 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.80 3djh s ALA 38 CO 0.10 0.57 -0.11 0.14 0.00 0.00 0.00 175.76 176.47 3djh s VAL 39 N -0.80 0.82 -0.15 0.00 -7.23 -1.26 -0.86 120.40 110.92 3djh s VAL 39 Ca 0.12 -0.92 -0.06 0.00 -1.81 0.00 0.00 61.98 59.32 3djh s VAL 39 Cb -0.11 -0.78 0.07 0.00 0.56 0.00 0.00 36.38 36.12 3djh s VAL 39 CO 0.02 -0.11 0.32 -2.28 -0.31 0.00 0.00 175.10 172.74 3djh s HIS 40 N -0.92 -0.54 -0.12 2.82 5.04 -0.04 -4.96 115.29 116.57 3djh s HIS 40 Ca -0.02 1.15 0.03 0.00 -1.54 0.00 0.00 55.06 54.68 3djh s HIS 40 Cb -0.08 0.11 0.01 0.00 0.04 0.00 0.00 32.58 32.66 3djh s HIS 40 CO 0.01 -0.37 -0.22 0.08 -2.34 0.00 0.00 174.74 171.89 3djh s VAL 41 N 2.21 2.01 -0.39 0.89 1.01 -1.26 -0.87 120.40 124.00 3djh s VAL 41 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.02 3djh s VAL 41 Cb -0.11 -1.76 0.11 0.00 0.00 0.00 0.00 36.38 34.61 3djh s VAL 41 CO -0.10 0.54 0.13 -0.69 0.00 0.00 0.00 175.10 174.98 3djh s VAL 42 N 0.61 1.97 0.82 2.92 1.01 0.92 -4.98 120.40 123.66 3djh s VAL 42 Ca -0.12 -2.41 -0.08 0.00 0.00 0.00 0.00 61.98 59.37 3djh s VAL 42 Cb -0.17 -2.43 0.18 0.00 0.00 0.00 0.00 36.38 33.96 3djh s VAL 42 CO 0.03 -0.70 1.12 -0.81 0.00 0.00 0.00 175.10 174.74 3djh n PRO 43 N 4.02 -0.63 -2.10 2.72 -0.04 -1.26 -1.09 135.00 136.62 3djh n PRO 43 Ca 0.04 -2.33 -0.18 0.00 -0.04 0.00 0.00 63.50 60.98 3djh n PRO 43 Cb 0.39 -0.96 -0.03 0.00 -0.04 0.00 0.00 33.50 32.86 3djh n PRO 43 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3djh n ASP 44 N -3.34 -5.26 -4.83 3.54 8.00 -0.17 -4.82 116.55 109.67 3djh n ASP 44 Ca 0.16 0.12 -0.34 0.00 0.71 0.00 0.00 54.79 55.45 3djh n ASP 44 Cb 0.57 -4.34 -0.06 0.00 -0.02 0.00 0.00 41.12 37.26 3djh n ASP 44 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3djh s GLN 45 N -4.50 4.19 -0.73 -1.24 -1.52 -0.19 -4.94 119.66 110.73 3djh s GLN 45 Ca 0.00 0.93 -0.24 0.00 -1.95 0.00 0.00 55.36 54.10 3djh s GLN 45 Cb 0.00 -2.46 0.06 0.00 -0.22 0.00 0.00 33.01 30.40 3djh s GLN 45 CO 0.00 0.14 1.10 -0.51 -0.25 0.00 0.00 175.29 175.77 3djh s LEU 46 N -2.79 4.02 0.11 2.90 1.43 -1.26 -4.06 118.68 119.03 3djh s LEU 46 Ca 0.55 -0.95 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3djh s LEU 46 Cb -0.12 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 3djh s LEU 46 CO 0.17 -1.53 0.21 0.00 0.23 0.00 0.00 176.35 175.42 3djh s MET 47 N 4.50 0.92 0.02 1.70 0.23 -1.26 -5.07 119.30 120.34 3djh s MET 47 Ca 0.28 -1.03 -0.01 0.00 -1.03 0.00 0.00 55.69 53.91 3djh s MET 47 Cb -0.12 0.35 -0.02 0.00 -1.53 0.00 0.00 34.83 33.50 3djh s MET 47 CO 0.09 -0.30 -0.01 0.00 -2.03 0.00 0.00 175.02 172.77 3djh s ALA 48 N -3.89 0.10 -0.08 3.16 0.00 -1.26 -4.58 121.76 115.21 3djh s ALA 48 Ca 0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3djh s ALA 48 Cb 0.05 0.16 0.03 0.00 0.00 0.00 0.00 23.12 23.35 3djh s ALA 48 CO -0.08 -0.19 -0.03 0.12 0.00 0.00 0.00 175.76 175.57 3djh s PHE 49 N -1.74 0.97 -1.67 0.00 2.19 -0.20 -4.74 117.98 112.78 3djh s PHE 49 Ca -0.13 -0.37 0.00 0.00 0.33 0.00 0.00 56.93 56.76 3djh s PHE 49 Cb -0.08 -0.93 0.00 0.00 -1.31 0.00 0.00 43.02 40.70 3djh s PHE 49 CO -0.02 -0.37 0.00 0.41 1.83 0.00 0.00 175.22 177.07 3djh n GLY 50 N 4.91 -0.16 2.36 13.12 0.00 -1.26 -1.79 105.19 122.38 3djh n GLY 50 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3djh n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3djh n GLY 51 N -0.98 1.54 3.70 -0.02 0.00 -1.26 -5.02 105.19 103.15 3djh n GLY 51 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3djh n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3djh s SER 52 N -3.25 5.31 -0.12 1.61 0.15 -0.74 -5.01 113.70 111.65 3djh s SER 52 Ca 0.00 0.14 0.18 0.00 0.70 0.00 0.00 55.95 56.97 3djh s SER 52 Cb 0.00 -1.49 0.71 0.00 -1.71 0.00 0.00 66.02 63.53 3djh s SER 52 CO 0.00 0.36 1.62 -1.54 1.20 0.00 0.00 173.24 174.88 3djh n SER 53 N 1.95 4.72 -4.62 5.45 3.41 -1.26 -1.04 113.62 122.23 3djh n SER 53 Ca -0.18 -2.45 -0.31 0.00 -0.26 0.00 0.00 58.87 55.67 3djh n SER 53 Cb 0.53 -0.58 0.16 0.00 -0.26 0.00 0.00 64.21 64.07 3djh n SER 53 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3djh n GLU 54 N 1.10 -0.47 -1.63 4.33 -0.58 -1.26 -4.85 120.64 117.27 3djh n GLU 54 Ca 0.25 -0.08 -0.47 0.00 -0.42 0.00 0.00 57.16 56.45 3djh n GLU 54 Cb 0.89 -2.28 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 3djh n GLU 54 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3djh n PRO 55 N -3.81 1.65 -4.00 3.49 -0.02 -1.26 -4.83 135.00 126.21 3djh n PRO 55 Ca 0.11 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3djh n PRO 55 Cb 0.52 -2.20 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3djh n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3djh s ALA 57 N -3.98 -0.70 -0.17 0.00 0.00 -0.41 -3.56 121.76 112.94 3djh s ALA 57 Ca 0.23 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.90 3djh s ALA 57 Cb -0.01 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.75 3djh s ALA 57 CO 0.09 -0.16 -0.18 -0.51 0.00 0.00 0.00 175.76 175.01 3djh s LEU 58 N -0.11 2.26 0.22 0.00 1.43 0.02 -1.83 118.68 120.66 3djh s LEU 58 Ca -0.02 -0.58 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 3djh s LEU 58 Cb -0.03 -1.51 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3djh s LEU 58 CO 0.01 0.04 -0.04 0.00 0.23 0.00 0.00 176.35 176.59 3djh s SER 60 N -3.29 0.28 -0.16 0.00 0.01 -0.33 -0.91 113.70 109.30 3djh s SER 60 Ca 0.25 -0.28 -0.00 0.00 1.31 0.00 0.00 55.95 57.23 3djh s SER 60 Cb 0.04 0.04 0.04 0.00 0.21 0.00 0.00 66.02 66.35 3djh s SER 60 CO 0.07 -0.14 -0.08 -0.22 0.41 0.00 0.00 173.24 173.28 3djh s LEU 61 N -0.80 1.70 -0.12 2.44 2.96 0.07 -1.22 118.68 123.70 3djh s LEU 61 Ca -0.07 -0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 53.18 3djh s LEU 61 Cb -0.06 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.58 3djh s LEU 61 CO -0.00 -0.14 0.02 -1.00 -1.32 0.00 0.00 176.35 173.90 3djh s HIS 62 N 1.57 3.20 -0.05 5.38 3.76 -0.18 -1.07 115.29 127.89 3djh s HIS 62 Ca 0.02 0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.89 3djh s HIS 62 Cb -0.15 -1.88 0.03 0.00 1.11 0.00 0.00 32.58 31.70 3djh s HIS 62 CO -0.08 0.36 0.38 0.45 -0.85 0.00 0.00 174.74 175.00 3djh s SER 63 N -0.49 -0.31 -0.75 1.40 0.15 -0.57 -0.84 113.70 112.29 3djh s SER 63 Ca 0.09 0.36 -0.26 0.00 0.70 0.00 0.00 55.95 56.84 3djh s SER 63 Cb -0.12 0.48 0.04 0.00 -1.71 0.00 0.00 66.02 64.71 3djh s SER 63 CO 0.02 -0.39 1.22 -0.63 1.20 0.00 0.00 173.24 174.66 3djh s ILE 64 N -0.91 3.89 0.05 6.45 1.01 -1.26 -0.66 121.20 129.76 3djh s ILE 64 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3djh s ILE 64 Cb -0.04 -4.88 0.00 0.00 0.01 0.00 0.00 42.46 37.55 3djh s ILE 64 CO 0.04 -1.77 0.00 0.61 0.00 0.00 0.00 174.94 173.82 3djh n GLY 65 N 5.48 -1.93 2.39 6.18 0.00 -1.26 -4.95 105.19 111.10 3djh n GLY 65 Ca 0.04 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.54 3djh n GLY 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3djh n LYS 66 N -1.25 -1.25 -5.14 1.61 4.76 -1.26 -4.91 118.16 110.73 3djh n LYS 66 Ca 0.00 0.94 -0.31 0.00 -2.87 0.00 0.00 58.31 56.07 3djh n LYS 66 Cb 0.09 -5.26 -0.17 0.00 -1.84 0.00 0.00 35.03 27.85 3djh n LYS 66 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3djh s ILE 67 N -2.73 1.92 0.00 -0.18 -1.09 -1.26 -4.83 121.20 113.03 3djh s ILE 67 Ca 0.00 -0.95 0.00 0.00 -2.23 0.00 0.00 60.65 57.47 3djh s ILE 67 Cb 0.00 -1.66 0.00 0.00 -1.58 0.00 0.00 42.46 39.22 3djh s ILE 67 CO 0.00 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 3djh n GLY 68 N 3.42 -0.45 0.41 6.18 0.00 -1.26 -4.99 105.19 108.49 3djh n GLY 68 Ca -0.19 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 3djh n GLY 68 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3djh h GLY 69 N 0.00 -0.81 0.94 -0.02 0.00 -1.99 0.27 103.07 101.45 3djh h GLY 69 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 47.33 47.75 3djh h GLY 69 CO 0.00 -0.25 -0.18 0.00 0.00 0.00 0.00 176.54 176.10 3djh h ALA 70 N -0.10 0.43 -0.59 3.60 0.00 -2.00 -2.38 119.26 118.23 3djh h ALA 70 Ca 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3djh h ALA 70 Cb 0.67 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3djh h ALA 70 CO -0.29 0.36 0.29 1.96 0.00 0.00 0.00 179.25 181.58 3djh h GLN 71 N 0.42 0.84 -0.34 0.00 4.20 -1.88 -2.07 115.11 116.29 3djh h GLN 71 Ca 0.06 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 3djh h GLN 71 Cb 0.72 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.33 3djh h GLN 71 CO 0.05 0.67 -0.12 -0.91 -0.67 0.00 0.00 178.83 177.85 3djh h ASN 72 N 0.80 0.58 -0.57 1.46 2.35 -0.43 0.36 115.58 120.13 3djh h ASN 72 Ca 0.20 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3djh h ASN 72 Cb 0.10 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3djh h ASN 72 CO -0.03 0.73 0.35 0.03 -1.65 0.00 0.00 177.43 176.86 3djh h ARG 73 N 0.54 0.77 -0.46 0.81 3.08 -1.15 -0.74 114.38 117.23 3djh h ARG 73 Ca 0.10 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 3djh h ARG 73 Cb 0.53 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3djh h ARG 73 CO 0.03 0.55 0.12 1.03 -1.07 0.00 0.00 179.97 180.63 3djh h SER 74 N 0.77 0.69 -0.67 7.04 0.87 -0.76 -1.59 113.55 119.90 3djh h SER 74 Ca 0.20 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3djh h SER 74 Cb -0.03 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 3djh h SER 74 CO -0.04 0.73 0.31 1.88 -0.53 0.00 0.00 176.83 179.18 3djh h TYR 75 N 0.61 1.00 -0.46 2.24 0.05 -0.78 -1.53 116.97 118.10 3djh h TYR 75 Ca 0.15 -0.05 -0.10 0.00 0.05 0.00 0.00 58.73 58.77 3djh h TYR 75 Cb 0.30 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3djh h TYR 75 CO 0.02 0.74 -0.12 0.77 -1.05 0.00 0.00 178.16 178.51 3djh h SER 76 N 0.99 0.90 -0.33 3.88 0.02 -0.83 0.19 113.55 118.37 3djh h SER 76 Ca 0.24 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3djh h SER 76 Cb 0.13 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3djh h SER 76 CO -0.03 1.06 0.21 0.50 -1.14 0.00 0.00 176.83 177.43 3djh h LYS 77 N 0.73 0.43 0.23 3.45 3.64 -1.08 -0.08 116.57 123.89 3djh h LYS 77 Ca 0.11 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3djh h LYS 77 Cb 0.67 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3djh h LYS 77 CO 0.05 0.30 -0.11 1.25 -2.27 0.00 0.00 179.45 178.67 3djh h LEU 78 N 0.43 -0.26 -0.13 5.20 5.85 -1.00 -1.46 115.31 123.94 3djh h LEU 78 Ca 0.12 -0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 3djh h LEU 78 Cb -0.03 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.07 3djh h LEU 78 CO -0.02 -0.17 -0.66 -0.07 -0.34 0.00 0.00 178.44 177.17 3djh h LEU 79 N -0.32 0.81 -1.12 2.25 3.38 -0.56 -1.59 115.31 118.16 3djh h LEU 79 Ca -0.03 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.28 3djh h LEU 79 Cb 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3djh h LEU 79 CO 0.05 1.32 0.31 0.00 0.09 0.00 0.00 178.44 180.21 3djh h GLY 81 N 1.00 0.50 0.99 0.00 0.00 -0.96 0.08 103.07 104.69 3djh h GLY 81 Ca 0.23 -0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 3djh h GLY 81 CO -0.03 0.12 0.05 1.41 0.00 0.00 0.00 176.54 178.08 3djh h LEU 82 N 0.40 0.82 -0.95 3.11 3.38 -0.90 -1.06 115.31 120.12 3djh h LEU 82 Ca 0.15 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3djh h LEU 82 Cb 0.04 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3djh h LEU 82 CO -0.09 0.89 -0.05 -0.07 0.09 0.00 0.00 178.44 179.21 3djh h LEU 83 N 0.71 0.69 -0.04 1.67 3.38 -0.81 0.56 115.31 121.46 3djh h LEU 83 Ca 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3djh h LEU 83 Cb 0.45 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3djh h LEU 83 CO 0.02 0.79 -0.01 0.00 0.09 0.00 0.00 178.44 179.32 3djh h ALA 84 N 1.28 0.06 -0.29 1.53 0.00 -0.86 -0.72 119.26 120.27 3djh h ALA 84 Ca 0.12 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3djh h ALA 84 Cb 0.49 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3djh h ALA 84 CO 0.03 -0.23 -0.26 1.49 0.00 0.00 0.00 179.25 180.28 3djh h GLU 85 N -0.27 0.70 0.06 0.00 4.81 -1.08 -2.08 114.58 116.72 3djh h GLU 85 Ca 0.01 -0.36 -0.35 0.00 -0.13 0.00 0.00 59.36 58.53 3djh h GLU 85 Cb 0.41 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 3djh h GLU 85 CO 0.00 0.97 -2.03 0.54 -0.73 0.00 0.00 179.01 177.76 3djh n ARG 86 N -4.28 0.70 0.00 1.92 5.12 0.18 -4.45 116.66 115.85 3djh n ARG 86 Ca -0.04 0.23 0.05 0.00 -1.93 0.00 0.00 57.85 56.17 3djh n ARG 86 Cb 0.46 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 30.08 3djh n ARG 86 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3djh n LEU 87 N -3.27 1.46 -3.61 0.55 4.77 -0.35 -4.56 117.00 111.98 3djh n LEU 87 Ca -0.30 -0.83 -0.25 0.00 -0.03 0.00 0.00 56.01 54.60 3djh n LEU 87 Cb 1.05 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.21 3djh n LEU 87 CO 0.41 0.29 0.21 0.54 -1.33 0.00 0.00 177.39 177.51 3djh n ARG 88 N 0.02 -7.43 -3.75 3.23 5.12 -0.73 -4.96 116.66 108.16 3djh n ARG 88 Ca 0.05 0.80 -0.36 0.00 -1.93 0.00 0.00 57.85 56.41 3djh n ARG 88 Cb 0.24 -5.82 -0.09 0.00 -1.16 0.00 0.00 32.46 25.62 3djh n ARG 88 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3djh s ILE 89 N -3.31 5.18 0.26 0.55 1.01 -1.00 -4.91 121.20 118.99 3djh s ILE 89 Ca 0.58 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 3djh s ILE 89 Cb -0.26 -3.39 -0.11 0.00 0.01 0.00 0.00 42.46 38.71 3djh s ILE 89 CO 0.72 0.39 1.57 -0.55 0.00 0.00 0.00 174.94 177.06 3djh s SER 90 N 0.81 6.46 0.55 3.58 0.15 -1.26 -3.26 113.70 120.72 3djh s SER 90 Ca 0.07 2.84 0.26 0.00 0.70 0.00 0.00 55.95 59.82 3djh s SER 90 Cb -0.13 -2.62 1.46 0.00 -1.71 0.00 0.00 66.02 63.01 3djh s SER 90 CO 0.02 -0.86 2.01 -0.65 1.20 0.00 0.00 173.24 174.97 3djh h PRO 91 N 5.27 0.00 -0.03 5.44 0.11 -1.97 -0.05 132.00 140.76 3djh h PRO 91 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3djh h PRO 91 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3djh h PRO 91 CO 0.82 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 3djh n ASP 92 N -4.18 0.20 -0.59 -2.05 3.85 -1.26 -2.79 116.55 109.73 3djh n ASP 92 Ca 0.07 -1.70 0.06 0.00 -0.71 0.00 0.00 54.79 52.51 3djh n ASP 92 Cb 0.52 -0.02 0.19 0.00 -1.35 0.00 0.00 41.12 40.46 3djh n ASP 92 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3djh n ARG 93 N -0.54 1.42 -4.72 0.11 1.74 -0.03 -4.99 116.66 109.65 3djh n ARG 93 Ca 0.08 -3.10 -0.27 0.00 -0.77 0.00 0.00 57.85 53.79 3djh n ARG 93 Cb 0.07 -1.48 -0.17 0.00 -1.02 0.00 0.00 32.46 29.86 3djh n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3djh s VAL 94 N -2.94 1.45 -0.07 1.55 1.01 -1.12 -1.29 120.40 119.00 3djh s VAL 94 Ca 0.37 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3djh s VAL 94 Cb 0.36 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 3djh s VAL 94 CO -0.06 0.43 -0.11 -0.31 0.00 0.00 0.00 175.10 175.05 3djh s TYR 95 N 0.66 2.83 -0.18 5.22 2.02 -0.76 -5.00 117.35 122.14 3djh s TYR 95 Ca -0.14 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 3djh s TYR 95 Cb -0.16 -1.71 0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3djh s TYR 95 CO 0.04 0.17 -0.09 0.42 -1.57 0.00 0.00 175.55 174.52 3djh s ILE 96 N -0.54 1.40 -0.12 2.71 1.01 -1.26 -0.40 121.20 124.00 3djh s ILE 96 Ca 0.08 -0.79 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 3djh s ILE 96 Cb -0.12 -1.49 -0.03 0.00 0.01 0.00 0.00 42.46 40.83 3djh s ILE 96 CO 0.02 0.20 0.73 0.20 0.00 0.00 0.00 174.94 176.08 3djh s ASN 97 N 1.51 6.92 -0.14 3.58 0.02 -0.09 -4.93 114.94 121.81 3djh s ASN 97 Ca 0.01 1.12 -0.07 0.00 -1.02 0.00 0.00 52.86 52.89 3djh s ASN 97 Cb -0.15 -2.41 -0.04 0.00 0.02 0.00 0.00 41.25 38.66 3djh s ASN 97 CO -0.08 -0.24 0.11 -0.31 0.02 0.00 0.00 177.10 176.60 3djh s TYR 98 N 1.44 3.46 -0.10 2.20 1.51 -1.26 -0.75 117.35 123.84 3djh s TYR 98 Ca 0.36 0.38 -0.01 0.00 -1.01 0.00 0.00 57.07 56.80 3djh s TYR 98 Cb -0.17 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.71 3djh s TYR 98 CO 0.15 0.52 -0.06 0.71 -1.11 0.00 0.00 175.55 175.76 3djh s TYR 99 N -0.50 1.28 -0.59 2.71 1.51 -0.24 -4.97 117.35 116.55 3djh s TYR 99 Ca 0.12 -0.59 -0.22 0.00 -1.01 0.00 0.00 57.07 55.37 3djh s TYR 99 Cb -0.12 -1.12 0.06 0.00 -0.11 0.00 0.00 41.96 40.68 3djh s TYR 99 CO 0.02 -0.46 0.85 0.34 -1.11 0.00 0.00 175.55 175.19 3djh s ASP 100 N 1.75 6.23 0.06 2.29 -1.08 -1.26 -1.52 116.67 123.14 3djh s ASP 100 Ca 0.05 -0.84 -0.25 0.00 -0.52 0.00 0.00 52.55 50.98 3djh s ASP 100 Cb -0.13 -2.38 -0.06 0.00 -1.46 0.00 0.00 42.92 38.90 3djh s ASP 100 CO -0.07 -1.22 0.78 -0.04 0.52 0.00 0.00 175.17 175.13 3djh s MET 101 N 3.56 4.51 0.27 4.34 -1.94 0.16 -4.91 119.30 125.29 3djh s MET 101 Ca 0.22 1.09 -0.29 0.00 -1.71 0.00 0.00 55.69 54.99 3djh s MET 101 Cb -0.17 -3.35 -0.09 0.00 2.01 0.00 0.00 34.83 33.22 3djh s MET 101 CO 0.13 0.31 1.26 1.21 -0.01 0.00 0.00 175.02 177.92 3djh s ASN 102 N -0.15 6.93 0.44 3.03 3.84 -1.26 -4.13 114.94 123.64 3djh s ASN 102 Ca 0.39 2.48 0.17 0.00 0.21 0.00 0.00 52.86 56.10 3djh s ASN 102 Cb -0.21 -2.63 1.09 0.00 -0.55 0.00 0.00 41.25 38.95 3djh s ASN 102 CO 0.24 -0.45 1.92 0.00 -2.79 0.00 0.00 177.10 176.02 3djh h ALA 103 N 4.30 2.16 0.00 1.71 0.00 -1.94 0.11 119.26 125.59 3djh h ALA 103 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3djh h ALA 103 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3djh h ALA 103 CO 0.71 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.60 3djh h ALA 104 N 1.65 1.00 -0.48 0.00 0.00 -1.91 -2.71 119.26 116.81 3djh h ALA 104 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3djh h ALA 104 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3djh h ALA 104 CO -0.11 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.23 3djh n ASN 105 N -2.60 4.38 -3.98 0.00 3.02 0.37 -4.84 115.26 111.61 3djh n ASN 105 Ca 0.01 -2.60 -0.30 0.00 -0.03 0.00 0.00 54.58 51.65 3djh n ASN 105 Cb 0.24 -0.53 -0.16 0.00 -0.61 0.00 0.00 39.78 38.72 3djh n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3djh s VAL 106 N -2.11 1.58 0.17 2.41 1.01 -1.12 -4.90 120.40 117.44 3djh s VAL 106 Ca 0.45 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3djh s VAL 106 Cb 0.31 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.92 3djh s VAL 106 CO 0.18 0.13 0.66 -0.83 0.00 0.00 0.00 175.10 175.23 3djh s GLY 107 N 1.42 2.63 -0.28 4.51 0.00 -1.26 -2.44 107.32 111.90 3djh s GLY 107 Ca -0.02 0.10 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 3djh s GLY 107 CO -0.08 0.47 0.96 0.86 0.00 0.00 0.00 173.10 175.32 3djh s TRP 108 N -1.37 -0.57 -1.32 1.90 -0.00 0.10 -4.97 118.94 112.71 3djh s TRP 108 Ca 0.38 1.30 -0.02 0.00 -0.00 0.00 0.00 56.10 57.75 3djh s TRP 108 Cb -0.18 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.66 3djh s TRP 108 CO 0.21 -0.28 0.61 -1.71 -0.00 0.00 0.00 176.95 175.78 3djh n ASN 109 N 2.80 -1.37 0.00 5.86 4.05 -1.26 -1.83 115.26 123.51 3djh n ASN 109 Ca -0.15 -0.90 0.00 0.00 0.45 0.00 0.00 54.58 53.98 3djh n ASN 109 Cb 0.56 -3.67 0.00 0.00 1.23 0.00 0.00 39.78 37.91 3djh n ASN 109 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3djh n ASN 110 N -3.00 -1.92 0.00 1.20 5.03 -1.26 -4.91 115.26 110.40 3djh n ASN 110 Ca -0.28 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.17 3djh n ASN 110 Cb 0.67 -1.32 0.00 0.00 -1.02 0.00 0.00 39.78 38.12 3djh n ASN 110 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 3djh n SER 111 N -0.18 0.00 -4.52 6.41 2.88 -0.76 -5.19 113.62 112.27 3djh n SER 111 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 3djh n SER 111 Cb 0.09 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.46 3djh n SER 111 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3djh s THR 112 N -1.73 1.21 -1.58 2.46 -4.23 -1.26 -0.72 115.64 109.79 3djh s THR 112 Ca 0.00 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.80 3djh s THR 112 Cb 0.00 -2.50 0.48 0.00 1.34 0.00 0.00 72.50 71.81 3djh s THR 112 CO 0.00 0.00 1.92 0.49 -0.54 0.00 0.00 174.62 176.49 3djh n PHE 113 N -1.01 0.00 0.23 3.99 3.72 -1.02 -4.88 117.46 118.50 3djh n PHE 113 Ca -0.10 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.32 3djh n PHE 113 Cb 0.66 -0.21 0.11 0.00 -0.94 0.00 0.00 39.48 39.11 3djh n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71