#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 0.59 -0.12 -0.52 1.75 0.06 -1.01 119.30 120.06 3djh s MET 2 Ca 0.00 -0.03 0.02 0.00 -1.25 0.00 0.00 55.69 54.43 3djh s MET 2 Cb 0.00 -0.67 0.01 0.00 2.84 0.00 0.00 34.83 37.01 3djh s MET 2 CO 0.00 -0.10 -0.17 0.12 -0.65 0.00 0.00 175.02 174.22 3djh s PHE 3 N 0.92 2.18 -0.08 4.11 5.36 -0.30 -1.04 117.98 129.14 3djh s PHE 3 Ca -0.11 -1.05 0.05 0.00 -0.96 0.00 0.00 56.93 54.86 3djh s PHE 3 Cb -0.14 -1.54 -0.00 0.00 -0.34 0.00 0.00 43.02 41.00 3djh s PHE 3 CO -0.01 -0.52 -0.23 0.42 -1.46 0.00 0.00 175.22 173.43 3djh s ILE 4 N 0.93 1.97 -0.16 3.12 1.01 -0.34 -1.23 121.20 126.49 3djh s ILE 4 Ca -0.07 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.60 3djh s ILE 4 Cb -0.15 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.64 3djh s ILE 4 CO -0.01 0.54 -0.18 0.54 0.00 0.00 0.00 174.94 175.83 3djh s VAL 5 N 0.17 1.88 -0.17 2.92 0.11 0.02 -1.29 120.40 124.04 3djh s VAL 5 Ca -0.13 -0.84 -0.05 0.00 -2.93 0.00 0.00 61.98 58.04 3djh s VAL 5 Cb -0.16 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 3djh s VAL 5 CO 0.07 0.51 -0.01 0.20 -3.33 0.00 0.00 175.10 172.53 3djh s ASN 6 N 1.23 4.92 0.01 3.54 0.01 -0.03 -0.18 114.94 124.44 3djh s ASN 6 Ca 0.02 -0.12 -0.12 0.00 -0.71 0.00 0.00 52.86 51.93 3djh s ASN 6 Cb -0.14 -1.82 0.01 0.00 0.41 0.00 0.00 41.25 39.72 3djh s ASN 6 CO -0.09 0.15 0.26 0.28 -1.51 0.00 0.00 177.10 176.18 3djh s THR 7 N 0.51 0.08 -1.60 1.60 -1.32 -0.10 -0.80 115.64 114.00 3djh s THR 7 Ca -0.02 -0.63 0.29 0.00 -1.21 0.00 0.00 61.69 60.12 3djh s THR 7 Cb -0.14 -0.70 0.48 0.00 -1.51 0.00 0.00 72.50 70.63 3djh s THR 7 CO 0.02 -0.35 1.91 -0.46 -2.21 0.00 0.00 174.62 173.54 3djh n ASN 8 N 1.06 0.34 -4.75 8.08 6.94 -1.23 -1.24 115.26 124.45 3djh n ASN 8 Ca -0.21 -0.47 -0.41 0.00 -0.02 0.00 0.00 54.58 53.46 3djh n ASN 8 Cb 0.57 -0.12 -0.02 0.00 -2.36 0.00 0.00 39.78 37.85 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 -2.49 2.20 0.65 3.53 1.01 -1.26 -4.21 120.40 119.82 3djh s VAL 9 Ca 0.29 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.29 3djh s VAL 9 Cb 0.20 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3djh s VAL 9 CO 0.47 0.03 1.11 -2.16 0.00 0.00 0.00 175.10 174.55 3djh s PRO 10 N -0.75 2.88 0.27 2.72 0.04 -1.26 -0.99 135.00 137.90 3djh s PRO 10 Ca 0.60 1.38 -0.00 0.00 0.04 0.00 0.00 61.00 63.03 3djh s PRO 10 Cb -0.46 -1.96 0.56 0.00 0.04 0.00 0.00 34.50 32.68 3djh s PRO 10 CO 0.49 -1.19 1.77 -0.09 0.04 0.00 0.00 177.00 178.02 3djh h ARG 11 N 0.12 0.63 0.00 4.56 1.12 -1.93 -1.09 114.38 117.80 3djh h ARG 11 Ca -0.47 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.36 3djh h ARG 11 Cb 1.24 -0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 31.06 3djh h ARG 11 CO 0.55 0.42 -0.02 0.00 -3.11 0.00 0.00 179.97 177.81 3djh h ALA 12 N 1.57 1.12 -0.01 2.80 0.00 -2.03 -1.63 119.26 121.08 3djh h ALA 12 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.37 3djh h ALA 12 Cb 0.68 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3djh h ALA 12 CO -0.36 0.02 -0.19 0.43 0.00 0.00 0.00 179.25 179.15 3djh n SER 13 N -3.27 1.01 -4.62 0.00 7.64 -0.41 -4.76 113.62 109.20 3djh n SER 13 Ca -0.02 -0.95 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 3djh n SER 13 Cb 0.13 0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.37 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 -2.40 4.73 0.51 0.44 1.01 -0.61 -4.73 120.40 119.34 3djh s VAL 14 Ca 0.28 1.33 -0.22 0.00 0.00 0.00 0.00 61.98 63.37 3djh s VAL 14 Cb 0.20 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 3djh s VAL 14 CO 0.48 -0.29 1.26 -2.84 0.00 0.00 0.00 175.10 173.71 3djh s PRO 15 N 3.11 3.41 0.27 2.72 0.02 -1.26 -4.96 135.00 138.31 3djh s PRO 15 Ca 0.36 2.01 -0.31 0.00 0.02 0.00 0.00 61.00 63.08 3djh s PRO 15 Cb -0.14 -2.31 -0.12 0.00 0.02 0.00 0.00 34.50 31.95 3djh s PRO 15 CO 0.13 -0.90 1.61 -0.25 -0.33 0.00 0.00 177.00 177.25 3djh n ASP 16 N -0.81 3.77 0.00 2.53 10.43 -1.26 -2.11 116.55 129.10 3djh n ASP 16 Ca 0.09 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.58 3djh n ASP 16 Cb 0.47 -1.57 0.00 0.00 1.84 0.00 0.00 41.12 41.86 3djh n ASP 16 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3djh n GLY 17 N 2.58 0.77 0.21 0.44 0.00 -1.26 -4.96 105.19 102.97 3djh n GLY 17 Ca 0.11 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 0.64 -0.77 1.61 3.57 -1.80 -0.00 116.94 120.20 3djh h PHE 18 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3djh h PHE 18 Cb 0.00 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.49 3djh h PHE 18 CO 0.00 0.41 0.42 -0.07 -2.23 0.00 0.00 178.31 176.84 3djh h LEU 19 N 0.68 0.96 -0.59 0.59 3.38 -1.93 -0.61 115.31 117.79 3djh h LEU 19 Ca 0.18 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3djh h LEU 19 Cb -0.07 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3djh h LEU 19 CO -0.04 0.78 0.05 0.28 0.09 0.00 0.00 178.44 179.60 3djh h SER 20 N 1.06 0.99 -0.25 -0.43 0.02 -1.92 -1.29 113.55 111.73 3djh h SER 20 Ca 0.27 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3djh h SER 20 Cb 0.04 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3djh h SER 20 CO -0.04 1.03 0.10 -0.08 -1.14 0.00 0.00 176.83 176.69 3djh h GLU 21 N 0.91 0.38 -0.61 3.45 4.81 -0.64 -1.34 114.58 121.54 3djh h GLU 21 Ca 0.17 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.40 3djh h GLU 21 Cb 0.49 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.75 3djh h GLU 21 CO 0.02 0.42 0.31 -0.07 -0.73 0.00 0.00 179.01 178.96 3djh h LEU 22 N 0.26 0.42 0.01 1.64 3.38 -1.05 -0.01 115.31 119.96 3djh h LEU 22 Ca 0.08 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3djh h LEU 22 Cb 0.18 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3djh h LEU 22 CO -0.01 0.27 -0.08 0.74 0.09 0.00 0.00 178.44 179.46 3djh h THR 23 N 0.57 0.81 -0.38 0.22 2.02 -0.97 0.09 112.91 115.26 3djh h THR 23 Ca 0.28 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.44 3djh h THR 23 Cb 0.22 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 3djh h THR 23 CO -0.21 0.00 0.15 1.56 0.37 0.00 0.00 175.52 177.40 3djh h GLN 24 N -0.14 0.57 -0.41 6.66 7.50 -1.02 -0.86 115.11 127.41 3djh h GLN 24 Ca 0.03 -0.10 -0.11 0.00 0.50 0.00 0.00 58.65 58.96 3djh h GLN 24 Cb 0.17 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.59 3djh h GLN 24 CO -0.07 0.55 -0.19 1.96 -1.50 0.00 0.00 178.83 179.58 3djh h GLN 25 N 0.47 0.79 -0.15 1.46 1.08 -0.87 -1.88 115.11 116.02 3djh h GLN 25 Ca 0.13 -0.30 -0.16 0.00 -1.45 0.00 0.00 58.65 56.86 3djh h GLN 25 Cb 0.19 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 3djh h GLN 25 CO -0.01 0.92 -0.60 -0.07 -0.95 0.00 0.00 178.83 178.12 3djh h LEU 26 N 0.70 0.56 -0.26 1.46 3.38 -0.87 -0.52 115.31 119.75 3djh h LEU 26 Ca 0.10 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.78 3djh h LEU 26 Cb 0.69 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3djh h LEU 26 CO 0.05 1.02 0.11 0.00 0.09 0.00 0.00 178.44 179.72 3djh h ALA 27 N 0.98 0.31 -0.55 1.53 0.00 -0.95 0.15 119.26 120.72 3djh h ALA 27 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3djh h ALA 27 Cb 1.14 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3djh h ALA 27 CO 0.11 -0.29 0.26 0.37 0.00 0.00 0.00 179.25 179.70 3djh h GLN 28 N 0.25 0.80 -0.23 0.00 4.15 -1.21 0.24 115.11 119.10 3djh h GLN 28 Ca 0.11 -0.12 -0.14 0.00 0.77 0.00 0.00 58.65 59.27 3djh h GLN 28 Cb 0.05 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 3djh h GLN 28 CO -0.09 0.66 -0.38 0.00 -1.93 0.00 0.00 178.83 177.09 3djh h ALA 29 N 1.10 0.36 0.00 3.38 0.00 -0.84 -3.17 119.26 120.09 3djh h ALA 29 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3djh h ALA 29 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3djh h ALA 29 CO -0.02 0.45 -0.42 1.79 0.00 0.00 0.00 179.25 181.05 3djh h THR 30 N 0.38 0.00 0.00 0.00 1.35 -1.01 -3.48 112.91 110.16 3djh h THR 30 Ca 0.02 -0.94 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 3djh h THR 30 Cb 0.98 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3djh h THR 30 CO 0.09 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.97 3djh n GLY 31 N 1.16 0.90 3.85 5.82 0.00 0.06 -4.96 105.19 112.01 3djh n GLY 31 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.05 3.95 0.48 1.61 -0.14 -1.12 -4.98 119.74 119.49 3djh s LYS 32 Ca 0.00 0.67 -0.24 0.00 -1.36 0.00 0.00 55.97 55.05 3djh s LYS 32 Cb 0.00 -2.37 -0.07 0.00 -1.68 0.00 0.00 37.83 33.71 3djh s LYS 32 CO 0.00 0.05 1.31 -2.14 -0.76 0.00 0.00 175.35 173.81 3djh s PRO 33 N -3.34 3.56 0.60 -1.68 0.02 -1.26 -4.51 135.00 128.39 3djh s PRO 33 Ca 0.54 2.14 0.32 0.00 0.02 0.00 0.00 61.00 64.02 3djh s PRO 33 Cb -0.10 -2.47 1.88 0.00 0.02 0.00 0.00 34.50 33.83 3djh s PRO 33 CO 0.22 -0.83 2.26 -1.00 -0.33 0.00 0.00 177.00 177.32 3djh h PRO 34 N 2.01 0.00 -0.02 5.54 0.13 -1.92 -1.59 132.00 136.16 3djh h PRO 34 Ca -0.50 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3djh h PRO 34 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 3djh h PRO 34 CO 0.60 0.01 0.03 1.96 -0.23 0.00 0.00 178.00 180.36 3djh h GLN 35 N 0.00 0.00 -0.09 0.86 7.50 -1.98 -1.48 115.11 119.92 3djh h GLN 35 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3djh h GLN 35 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.57 3djh h GLN 35 CO 0.00 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.99 3djh n TYR 36 N -3.75 0.09 -3.48 2.96 4.01 -0.60 -4.92 117.16 111.47 3djh n TYR 36 Ca -0.02 -0.04 -0.37 0.00 -0.16 0.00 0.00 57.90 57.30 3djh n TYR 36 Cb 0.11 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 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 -1.91 5.26 -0.06 -0.72 -1.09 -0.56 -2.17 121.20 119.94 3djh s ILE 37 Ca 0.32 0.55 0.03 0.00 -2.23 0.00 0.00 60.65 59.32 3djh s ILE 37 Cb 0.20 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 3djh s ILE 37 CO 0.31 0.30 -0.14 0.00 -1.23 0.00 0.00 174.94 174.17 3djh s ALA 38 N 1.11 2.65 0.04 9.38 0.00 -0.18 -4.99 121.76 129.77 3djh s ALA 38 Ca 0.16 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3djh s ALA 38 Cb -0.14 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 21.98 3djh s ALA 38 CO 0.06 0.53 -0.12 0.08 0.00 0.00 0.00 175.76 176.32 3djh s VAL 39 N -0.64 0.89 -0.16 0.00 1.01 -1.26 -1.15 120.40 119.10 3djh s VAL 39 Ca 0.09 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 61.08 3djh s VAL 39 Cb -0.11 -0.84 0.08 0.00 0.00 0.00 0.00 36.38 35.51 3djh s VAL 39 CO 0.01 -0.08 0.35 -2.28 0.00 0.00 0.00 175.10 173.09 3djh s HIS 40 N -0.90 -0.61 -0.11 5.22 5.04 -0.37 -4.97 115.29 118.59 3djh s HIS 40 Ca -0.01 1.25 0.03 0.00 -1.54 0.00 0.00 55.06 54.79 3djh s HIS 40 Cb -0.08 0.15 0.00 0.00 0.04 0.00 0.00 32.58 32.70 3djh s HIS 40 CO 0.01 -0.41 -0.22 0.08 -2.34 0.00 0.00 174.74 171.86 3djh s VAL 41 N 2.39 1.96 -0.40 0.89 1.01 -1.26 -0.80 120.40 124.20 3djh s VAL 41 Ca -0.01 -0.95 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3djh s VAL 41 Cb -0.12 -1.71 0.11 0.00 0.00 0.00 0.00 36.38 34.66 3djh s VAL 41 CO -0.11 0.54 0.15 -0.69 0.00 0.00 0.00 175.10 174.98 3djh s VAL 42 N 0.53 1.93 0.86 2.92 1.01 0.74 -4.98 120.40 123.42 3djh s VAL 42 Ca -0.15 -2.44 -0.08 0.00 0.00 0.00 0.00 61.98 59.31 3djh s VAL 42 Cb -0.17 -2.39 0.19 0.00 0.00 0.00 0.00 36.38 34.01 3djh s VAL 42 CO 0.05 -0.72 1.18 -0.81 0.00 0.00 0.00 175.10 174.80 3djh n PRO 43 N 3.95 -0.70 -2.02 2.72 -0.04 -1.26 -0.92 135.00 136.72 3djh n PRO 43 Ca 0.04 -2.44 -0.19 0.00 -0.04 0.00 0.00 63.50 60.87 3djh n PRO 43 Cb 0.38 -1.02 -0.04 0.00 -0.04 0.00 0.00 33.50 32.78 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 -3.37 -5.42 -4.81 3.54 8.00 -0.16 -4.81 116.55 109.51 3djh n ASP 44 Ca 0.17 0.19 -0.35 0.00 0.71 0.00 0.00 54.79 55.51 3djh n ASP 44 Cb 0.59 -4.53 -0.07 0.00 -0.02 0.00 0.00 41.12 37.10 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 -4.40 4.35 -0.77 -1.24 -1.52 -0.37 -4.94 119.66 110.77 3djh s GLN 45 Ca 0.00 1.13 -0.23 0.00 -1.95 0.00 0.00 55.36 54.30 3djh s GLN 45 Cb 0.00 -2.54 0.06 0.00 -0.22 0.00 0.00 33.01 30.31 3djh s GLN 45 CO 0.00 0.17 1.15 -1.17 -0.25 0.00 0.00 175.29 175.19 3djh s LEU 46 N -2.56 3.97 0.11 2.90 2.96 -1.26 -4.09 118.68 120.71 3djh s LEU 46 Ca 0.54 -1.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 3djh s LEU 46 Cb -0.14 -2.48 0.00 0.00 0.50 0.00 0.00 46.19 44.07 3djh s LEU 46 CO 0.19 -1.52 0.23 0.00 -1.32 0.00 0.00 176.35 173.93 3djh s MET 47 N 4.53 0.92 0.02 1.98 0.23 -1.26 -5.08 119.30 120.65 3djh s MET 47 Ca 0.31 -0.96 -0.02 0.00 -1.03 0.00 0.00 55.69 53.99 3djh s MET 47 Cb -0.10 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.55 3djh s MET 47 CO 0.06 -0.31 0.01 0.00 -2.03 0.00 0.00 175.02 172.75 3djh s ALA 48 N -3.87 0.08 -0.09 3.16 0.00 -1.26 -4.60 121.76 115.18 3djh s ALA 48 Ca 0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 3djh s ALA 48 Cb 0.04 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.37 3djh s ALA 48 CO -0.09 -0.22 -0.02 0.12 0.00 0.00 0.00 175.76 175.54 3djh s PHE 49 N -1.96 0.93 -1.63 0.00 2.19 -0.35 -4.74 117.98 112.41 3djh s PHE 49 Ca -0.11 -0.35 0.00 0.00 0.33 0.00 0.00 56.93 56.80 3djh s PHE 49 Cb -0.06 -0.94 0.00 0.00 -1.31 0.00 0.00 43.02 40.71 3djh s PHE 49 CO -0.02 -0.39 0.00 0.41 1.83 0.00 0.00 175.22 177.05 3djh n GLY 50 N 5.08 0.55 2.18 13.12 0.00 -1.26 -1.96 105.19 122.91 3djh n GLY 50 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.95 1.46 3.74 -0.02 0.00 -1.26 -5.03 105.19 103.14 3djh n GLY 51 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.21 5.56 -0.22 1.61 0.15 -0.83 -5.01 113.70 111.76 3djh s SER 52 Ca 0.00 0.23 0.15 0.00 0.70 0.00 0.00 55.95 57.03 3djh s SER 52 Cb 0.00 -1.64 0.81 0.00 -1.71 0.00 0.00 66.02 63.48 3djh s SER 52 CO 0.00 0.39 1.73 -1.54 1.20 0.00 0.00 173.24 175.02 3djh n SER 53 N 2.08 5.58 -4.65 5.45 3.41 -1.26 -1.21 113.62 123.01 3djh n SER 53 Ca -0.19 -2.85 -0.31 0.00 -0.26 0.00 0.00 58.87 55.27 3djh n SER 53 Cb 0.54 -0.67 0.18 0.00 -0.26 0.00 0.00 64.21 64.00 3djh n SER 53 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3djh s GLU 54 N -2.61 0.77 0.19 4.33 0.41 -1.26 -4.86 118.70 115.68 3djh s GLU 54 Ca 0.54 1.46 -0.33 0.00 -0.41 0.00 0.00 54.97 56.24 3djh s GLU 54 Cb 0.40 -1.71 -0.15 0.00 -1.78 0.00 0.00 34.13 30.90 3djh s GLU 54 CO 0.18 -2.77 1.29 -2.30 -0.49 0.00 0.00 175.26 171.16 3djh n PRO 55 N -4.32 1.53 -3.96 0.39 -0.02 -1.26 -4.84 135.00 122.51 3djh n PRO 55 Ca 0.11 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 62.04 3djh n PRO 55 Cb 0.52 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.83 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 -4.00 -0.54 -0.18 0.00 0.00 -0.56 -3.56 121.76 112.94 3djh s ALA 57 Ca 0.20 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.72 3djh s ALA 57 Cb -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3djh s ALA 57 CO 0.07 -0.12 -0.18 -0.51 0.00 0.00 0.00 175.76 175.03 3djh s LEU 58 N -0.04 2.27 0.19 0.00 1.43 0.01 -1.73 118.68 120.81 3djh s LEU 58 Ca -0.02 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.54 3djh s LEU 58 Cb -0.02 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.63 3djh s LEU 58 CO 0.01 0.02 -0.07 0.00 0.23 0.00 0.00 176.35 176.53 3djh s SER 60 N -3.25 0.13 -0.18 0.00 1.04 -0.41 -0.99 113.70 110.04 3djh s SER 60 Ca 0.22 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.55 3djh s SER 60 Cb 0.03 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.20 3djh s SER 60 CO 0.05 -0.05 -0.13 -0.22 0.98 0.00 0.00 173.24 173.86 3djh s LEU 61 N -0.32 2.14 -0.13 2.42 2.96 0.02 -1.20 118.68 124.58 3djh s LEU 61 Ca -0.03 -0.75 -0.03 0.00 -0.22 0.00 0.00 54.13 53.10 3djh s LEU 61 Cb -0.02 -1.28 -0.03 0.00 0.50 0.00 0.00 46.19 45.36 3djh s LEU 61 CO -0.00 -0.09 -0.02 -1.00 -1.32 0.00 0.00 176.35 173.92 3djh s HIS 62 N 1.39 3.09 -0.06 5.38 3.76 -0.21 -1.03 115.29 127.61 3djh s HIS 62 Ca 0.01 -0.06 -0.17 0.00 -0.15 0.00 0.00 55.06 54.70 3djh s HIS 62 Cb -0.15 -1.89 0.03 0.00 1.11 0.00 0.00 32.58 31.69 3djh s HIS 62 CO -0.10 0.20 0.38 0.45 -0.85 0.00 0.00 174.74 174.82 3djh s SER 63 N -0.18 -0.32 -0.67 1.40 0.15 -0.53 -0.76 113.70 112.79 3djh s SER 63 Ca 0.04 0.38 -0.26 0.00 0.70 0.00 0.00 55.95 56.82 3djh s SER 63 Cb -0.13 0.50 0.04 0.00 -1.71 0.00 0.00 66.02 64.72 3djh s SER 63 CO 0.02 -0.37 1.15 -0.63 1.20 0.00 0.00 173.24 174.61 3djh s ILE 64 N -0.84 3.99 0.04 6.45 1.01 -1.26 -0.61 121.20 129.97 3djh s ILE 64 Ca -0.09 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3djh s ILE 64 Cb -0.04 -4.79 0.00 0.00 0.01 0.00 0.00 42.46 37.64 3djh s ILE 64 CO 0.04 -1.59 0.00 0.61 0.00 0.00 0.00 174.94 174.00 3djh n GLY 65 N 5.28 -1.81 2.43 6.18 0.00 -1.26 -4.95 105.19 111.07 3djh n GLY 65 Ca 0.02 -1.30 -0.19 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 -1.22 -1.49 -4.85 1.61 4.76 -1.26 -4.91 118.16 110.81 3djh n LYS 66 Ca 0.00 1.02 -0.27 0.00 -2.87 0.00 0.00 58.31 56.19 3djh n LYS 66 Cb 0.08 -5.52 -0.16 0.00 -1.84 0.00 0.00 35.03 27.58 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 -2.90 1.49 0.00 -0.18 -1.09 -1.26 -4.86 121.20 112.40 3djh s ILE 67 Ca 0.00 -0.71 0.00 0.00 -2.23 0.00 0.00 60.65 57.71 3djh s ILE 67 Cb 0.00 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.57 3djh s ILE 67 CO 0.00 0.43 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 3djh n GLY 68 N 3.50 -0.93 0.47 6.18 0.00 -1.26 -4.99 105.19 108.16 3djh n GLY 68 Ca -0.20 -1.02 -0.16 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.16 1.06 -0.02 0.00 -1.99 0.99 103.07 101.95 3djh h GLY 69 Ca 0.00 0.65 -0.16 0.00 0.00 0.00 0.00 47.33 47.83 3djh h GLY 69 CO 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 176.54 175.85 3djh h ALA 70 N -0.52 0.44 -0.70 3.60 0.00 -2.00 -2.70 119.26 117.38 3djh h ALA 70 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3djh h ALA 70 Cb 0.74 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3djh h ALA 70 CO -0.31 0.56 0.39 1.96 0.00 0.00 0.00 179.25 181.85 3djh h GLN 71 N 0.55 0.97 -0.24 0.00 4.20 -1.91 -1.97 115.11 116.72 3djh h GLN 71 Ca 0.03 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 3djh h GLN 71 Cb 1.03 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 3djh h GLN 71 CO 0.10 0.72 -0.31 -0.91 -0.67 0.00 0.00 178.83 177.76 3djh h ASN 72 N 0.96 0.50 -0.61 1.46 2.35 -0.78 0.83 115.58 120.29 3djh h ASN 72 Ca 0.25 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3djh h ASN 72 Cb 0.03 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.23 3djh h ASN 72 CO -0.04 0.79 0.34 0.03 -1.65 0.00 0.00 177.43 176.90 3djh h ARG 73 N 0.42 0.84 -0.36 0.81 3.08 -1.24 -0.68 114.38 117.25 3djh h ARG 73 Ca 0.05 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3djh h ARG 73 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 3djh h ARG 73 CO 0.06 0.64 0.07 1.03 -1.07 0.00 0.00 179.97 180.69 3djh h SER 74 N 0.83 0.57 -0.83 7.04 0.87 -0.82 -2.04 113.55 119.17 3djh h SER 74 Ca 0.22 -0.25 0.01 0.00 -1.23 0.00 0.00 61.79 60.53 3djh h SER 74 Cb 0.03 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 3djh h SER 74 CO -0.04 0.68 0.54 1.88 -0.53 0.00 0.00 176.83 179.36 3djh h TYR 75 N 0.44 1.05 -0.44 2.24 0.05 -0.73 -1.57 116.97 118.01 3djh h TYR 75 Ca 0.11 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.83 3djh h TYR 75 Cb 0.34 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3djh h TYR 75 CO 0.02 0.67 -0.04 0.77 -1.05 0.00 0.00 178.16 178.53 3djh h SER 76 N 1.12 0.80 -0.33 3.88 0.02 -0.84 0.14 113.55 118.34 3djh h SER 76 Ca 0.30 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3djh h SER 76 Cb -0.12 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3djh h SER 76 CO -0.06 0.94 0.19 0.50 -1.14 0.00 0.00 176.83 177.25 3djh h LYS 77 N 0.64 0.46 0.08 3.45 3.64 -1.15 -0.60 116.57 123.09 3djh h LYS 77 Ca 0.12 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3djh h LYS 77 Cb 0.55 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3djh h LYS 77 CO 0.03 0.38 -0.04 1.25 -2.27 0.00 0.00 179.45 178.80 3djh h LEU 78 N 0.42 -0.10 -0.04 5.20 5.85 -1.08 -1.42 115.31 124.14 3djh h LEU 78 Ca 0.12 -0.04 -0.24 0.00 0.84 0.00 0.00 57.88 58.55 3djh h LEU 78 Cb 0.05 0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.12 3djh h LEU 78 CO -0.02 -0.02 -0.92 -0.07 -0.34 0.00 0.00 178.44 177.07 3djh h LEU 79 N -0.16 0.88 -0.97 2.25 3.38 -0.69 -1.67 115.31 118.33 3djh h LEU 79 Ca -0.01 -0.71 0.02 0.00 0.09 0.00 0.00 57.88 57.27 3djh h LEU 79 Cb 0.13 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3djh h LEU 79 CO 0.02 1.47 0.64 0.00 0.09 0.00 0.00 178.44 180.66 3djh h GLY 81 N 1.27 0.31 1.01 0.00 0.00 -1.00 0.11 103.07 104.77 3djh h GLY 81 Ca 0.37 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.64 3djh h GLY 81 CO -0.10 -0.03 0.10 1.41 0.00 0.00 0.00 176.54 177.92 3djh h LEU 82 N 0.13 0.89 -0.83 3.11 3.38 -0.94 -0.74 115.31 120.32 3djh h LEU 82 Ca 0.13 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3djh h LEU 82 Cb 0.15 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3djh h LEU 82 CO -0.19 0.92 -0.15 -0.07 0.09 0.00 0.00 178.44 179.04 3djh h LEU 83 N 0.82 0.71 -0.03 1.67 3.38 -0.83 0.19 115.31 121.22 3djh h LEU 83 Ca 0.17 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3djh h LEU 83 Cb 0.40 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3djh h LEU 83 CO 0.01 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3djh h ALA 84 N 1.19 0.04 -0.27 1.53 0.00 -0.82 -0.95 119.26 119.98 3djh h ALA 84 Ca 0.11 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3djh h ALA 84 Cb 0.61 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3djh h ALA 84 CO 0.04 -0.31 -0.19 1.49 0.00 0.00 0.00 179.25 180.28 3djh h GLU 85 N -0.21 0.60 0.06 0.00 4.22 -1.04 -2.13 114.58 116.09 3djh h GLU 85 Ca 0.01 -0.29 -0.35 0.00 0.08 0.00 0.00 59.36 58.81 3djh h GLU 85 Cb 0.29 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.49 3djh h GLU 85 CO 0.00 0.87 -2.05 0.54 -2.18 0.00 0.00 179.01 176.20 3djh n ARG 86 N -4.38 0.70 0.00 1.92 5.12 0.04 -4.46 116.66 115.60 3djh n ARG 86 Ca -0.04 0.22 0.06 0.00 -1.93 0.00 0.00 57.85 56.16 3djh n ARG 86 Cb 0.40 -1.68 -0.00 0.00 -1.16 0.00 0.00 32.46 30.02 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 -3.25 1.35 -3.06 0.55 4.77 -0.44 -4.63 117.00 112.30 3djh n LEU 87 Ca -0.31 -0.77 -0.21 0.00 -0.03 0.00 0.00 56.01 54.69 3djh n LEU 87 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3djh n LEU 87 CO 0.40 0.27 0.13 0.54 -1.33 0.00 0.00 177.39 177.40 3djh n ARG 88 N -0.19 -6.03 -3.75 3.23 5.12 -0.74 -4.97 116.66 109.33 3djh n ARG 88 Ca 0.05 0.78 -0.36 0.00 -1.93 0.00 0.00 57.85 56.40 3djh n ARG 88 Cb 0.25 -5.54 -0.09 0.00 -1.16 0.00 0.00 32.46 25.92 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 -3.22 5.21 0.26 0.55 1.01 -1.01 -4.92 121.20 119.08 3djh s ILE 89 Ca 0.42 0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 3djh s ILE 89 Cb -0.19 -3.40 -0.11 0.00 0.01 0.00 0.00 42.46 38.78 3djh s ILE 89 CO 0.52 0.39 1.54 -0.55 0.00 0.00 0.00 174.94 176.84 3djh s SER 90 N 0.77 6.50 0.55 3.58 0.15 -1.26 -3.25 113.70 120.75 3djh s SER 90 Ca 0.07 2.80 0.26 0.00 0.70 0.00 0.00 55.95 59.78 3djh s SER 90 Cb -0.13 -2.62 1.47 0.00 -1.71 0.00 0.00 66.02 63.03 3djh s SER 90 CO 0.02 -0.83 2.03 -0.65 1.20 0.00 0.00 173.24 175.01 3djh h PRO 91 N 5.23 0.00 -0.01 5.44 0.11 -1.97 0.18 132.00 140.98 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 0.81 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3djh n ASP 92 N -4.15 0.06 -0.46 -2.05 5.75 -1.26 -2.75 116.55 111.68 3djh n ASP 92 Ca 0.06 -1.53 0.07 0.00 -0.01 0.00 0.00 54.79 53.38 3djh n ASP 92 Cb 0.48 -0.00 0.19 0.00 -1.03 0.00 0.00 41.12 40.76 3djh n ASP 92 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3djh n ARG 93 N -0.70 1.49 -4.87 0.11 1.74 0.05 -5.00 116.66 109.48 3djh n ARG 93 Ca 0.12 -3.09 -0.29 0.00 -0.77 0.00 0.00 57.85 53.82 3djh n ARG 93 Cb 0.06 -1.57 -0.17 0.00 -1.02 0.00 0.00 32.46 29.76 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 -3.10 1.62 -0.08 1.55 1.01 -1.11 -1.49 120.40 118.79 3djh s VAL 94 Ca 0.36 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3djh s VAL 94 Cb 0.34 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 3djh s VAL 94 CO -0.04 0.46 -0.09 -0.31 0.00 0.00 0.00 175.10 175.12 3djh s TYR 95 N 0.55 2.86 -0.18 5.22 2.02 -0.71 -5.00 117.35 122.12 3djh s TYR 95 Ca -0.16 -0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3djh s TYR 95 Cb -0.17 -1.73 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 3djh s TYR 95 CO 0.06 0.18 -0.09 0.42 -1.57 0.00 0.00 175.55 174.54 3djh s ILE 96 N -0.50 1.49 -0.14 2.71 1.01 -1.26 -0.45 121.20 124.06 3djh s ILE 96 Ca 0.07 -0.86 -0.22 0.00 0.00 0.00 0.00 60.65 59.64 3djh s ILE 96 Cb -0.12 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3djh s ILE 96 CO 0.02 0.19 0.65 0.20 0.00 0.00 0.00 174.94 176.01 3djh s ASN 97 N 1.47 6.81 -0.15 3.58 0.01 -0.16 -4.94 114.94 121.56 3djh s ASN 97 Ca 0.00 0.98 -0.08 0.00 -0.71 0.00 0.00 52.86 53.06 3djh s ASN 97 Cb -0.16 -2.37 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 3djh s ASN 97 CO -0.08 -0.19 0.13 -0.31 -1.51 0.00 0.00 177.10 175.13 3djh s TYR 98 N 1.38 3.50 -0.13 2.20 1.51 -1.26 -0.80 117.35 123.74 3djh s TYR 98 Ca 0.32 0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 56.80 3djh s TYR 98 Cb -0.16 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.70 3djh s TYR 98 CO 0.13 0.55 -0.05 0.71 -1.11 0.00 0.00 175.55 175.77 3djh s TYR 99 N -0.48 1.44 -0.66 2.71 1.51 -0.20 -4.97 117.35 116.69 3djh s TYR 99 Ca 0.12 -0.79 -0.22 0.00 -1.01 0.00 0.00 57.07 55.18 3djh s TYR 99 Cb -0.12 -1.20 0.08 0.00 -0.11 0.00 0.00 41.96 40.61 3djh s TYR 99 CO 0.02 -0.53 0.92 0.34 -1.11 0.00 0.00 175.55 175.19 3djh s ASP 100 N 1.72 6.20 0.10 2.29 3.68 -1.26 -1.46 116.67 127.95 3djh s ASP 100 Ca 0.03 -1.14 -0.28 0.00 2.13 0.00 0.00 52.55 53.30 3djh s ASP 100 Cb -0.14 -2.39 -0.06 0.00 -1.45 0.00 0.00 42.92 38.88 3djh s ASP 100 CO -0.08 -1.36 0.87 -0.04 0.13 0.00 0.00 175.17 174.70 3djh s MET 101 N 3.72 4.63 0.31 4.34 -1.94 0.22 -4.89 119.30 125.69 3djh s MET 101 Ca 0.21 1.29 -0.29 0.00 -1.71 0.00 0.00 55.69 55.19 3djh s MET 101 Cb -0.18 -3.35 -0.10 0.00 2.01 0.00 0.00 34.83 33.21 3djh s MET 101 CO 0.08 0.29 1.31 -0.80 -0.01 0.00 0.00 175.02 175.90 3djh s ASN 102 N -0.22 6.79 0.38 3.03 0.01 -1.26 -4.08 114.94 119.59 3djh s ASN 102 Ca 0.42 2.65 0.10 0.00 -0.71 0.00 0.00 52.86 55.32 3djh s ASN 102 Cb -0.23 -2.64 0.87 0.00 0.41 0.00 0.00 41.25 39.66 3djh s ASN 102 CO 0.27 -0.53 1.92 0.00 -1.51 0.00 0.00 177.10 177.25 3djh h ALA 103 N 3.67 1.87 0.00 0.60 0.00 -1.95 0.28 119.26 123.74 3djh h ALA 103 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3djh h ALA 103 Cb 1.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3djh h ALA 103 CO 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3djh h ALA 104 N 1.62 1.00 -0.59 0.00 0.00 -1.91 -2.73 119.26 116.64 3djh h ALA 104 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 3djh h ALA 104 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3djh h ALA 104 CO -0.14 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.20 3djh n ASN 105 N -2.48 4.81 -3.98 0.00 3.02 0.08 -4.82 115.26 111.89 3djh n ASN 105 Ca 0.01 -2.57 -0.30 0.00 -0.03 0.00 0.00 54.58 51.69 3djh n ASN 105 Cb 0.23 -0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.07 1.61 0.25 2.41 1.01 -1.06 -4.90 120.40 117.66 3djh s VAL 106 Ca 0.50 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 3djh s VAL 106 Cb 0.34 -1.72 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 3djh s VAL 106 CO 0.21 0.13 0.75 -0.83 0.00 0.00 0.00 175.10 175.37 3djh s GLY 107 N 1.40 2.60 -0.29 4.51 0.00 -1.26 -1.80 107.32 112.48 3djh s GLY 107 Ca -0.02 0.19 -0.21 0.00 0.00 0.00 0.00 44.72 44.68 3djh s GLY 107 CO -0.08 0.54 1.02 0.86 0.00 0.00 0.00 173.10 175.44 3djh s TRP 108 N -1.60 -0.51 -1.33 1.90 -0.00 -0.06 -4.95 118.94 112.39 3djh s TRP 108 Ca 0.45 1.14 -0.03 0.00 -0.00 0.00 0.00 56.10 57.66 3djh s TRP 108 Cb -0.16 0.37 -0.00 0.00 -0.00 0.00 0.00 33.47 33.67 3djh s TRP 108 CO 0.21 -0.25 0.57 -1.71 -0.00 0.00 0.00 176.95 175.76 3djh n ASN 109 N 2.85 -1.27 0.00 5.86 5.15 -1.26 -1.73 115.26 124.86 3djh n ASN 109 Ca -0.15 -0.94 0.00 0.00 -0.60 0.00 0.00 54.58 52.89 3djh n ASN 109 Cb 0.57 -3.48 0.00 0.00 -0.53 0.00 0.00 39.78 36.34 3djh n ASN 109 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3djh n ASN 110 N -2.98 -0.32 0.00 1.20 3.02 -1.26 -4.91 115.26 110.01 3djh n ASN 110 Ca -0.28 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 3djh n ASN 110 Cb 0.67 -0.74 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3djh n ASN 110 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3djh n SER 111 N -0.02 0.00 -4.66 6.41 2.88 -0.71 -5.18 113.62 112.34 3djh n SER 111 Ca 0.00 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.23 3djh n SER 111 Cb 0.01 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.39 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 -0.87 1.15 -1.66 2.46 -4.23 -1.26 -0.88 115.64 110.34 3djh s THR 112 Ca 0.00 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.81 3djh s THR 112 Cb 0.00 -2.26 0.55 0.00 1.34 0.00 0.00 72.50 72.13 3djh s THR 112 CO 0.00 0.00 1.97 0.49 -0.54 0.00 0.00 174.62 176.54 3djh n PHE 113 N -1.18 0.00 0.00 3.99 3.72 -0.75 -4.83 117.46 118.41 3djh n PHE 113 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 3djh n PHE 113 Cb 0.67 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 3djh n PHE 113 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71