#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b s THR 2 N 0.00 5.46 0.32 0.00 -4.23 -1.26 0.48 115.64 116.42 1d2b s THR 2 Ca 0.00 -2.57 0.04 0.00 -1.18 0.00 0.00 61.69 57.98 1d2b s THR 2 Cb 0.00 -4.63 0.04 0.00 1.34 0.00 0.00 72.50 69.25 1d2b s THR 2 CO 0.00 -1.25 0.32 0.00 -0.54 0.00 0.00 174.62 173.16 1d2b s VAL 4 N -1.37 5.21 -0.57 0.00 0.11 -1.26 -4.55 120.40 117.96 1d2b s VAL 4 Ca 0.25 0.06 -0.42 0.00 -2.93 0.00 0.00 61.98 58.94 1d2b s VAL 4 Cb -0.02 -3.62 -0.19 0.00 -1.53 0.00 0.00 36.38 31.02 1d2b s VAL 4 CO 0.16 0.15 2.23 -2.65 -3.33 0.00 0.00 175.10 171.65 1d2b n PRO 5 N 0.41 0.01 -3.30 1.54 -0.02 -1.26 -4.86 135.00 127.52 1d2b n PRO 5 Ca -0.05 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.06 1d2b n PRO 5 Cb 0.52 -1.51 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 1d2b n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1d2b s PRO 6 N 6.47 4.10 -0.12 0.52 0.05 -1.26 -4.96 135.00 139.79 1d2b s PRO 6 Ca 1.22 0.63 -0.18 0.00 0.05 0.00 0.00 61.00 62.72 1d2b s PRO 6 Cb -1.45 -3.07 -0.08 0.00 0.05 0.00 0.00 34.50 29.95 1d2b s PRO 6 CO 0.63 0.55 0.57 0.72 0.05 0.00 0.00 177.00 179.52 1d2b n HIS 7 N 1.22 0.53 0.32 0.56 8.25 -1.26 -4.46 115.22 120.38 1d2b n HIS 7 Ca -0.07 0.46 0.15 0.00 -0.26 0.00 0.00 57.72 57.99 1d2b n HIS 7 Cb 0.51 -0.89 0.65 0.00 1.12 0.00 0.00 29.99 31.38 1d2b n HIS 7 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1d2b h PRO 8 N 1.71 0.00 -0.13 -0.41 0.13 -1.93 0.58 132.00 131.95 1d2b h PRO 8 Ca -0.19 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.86 1d2b h PRO 8 Cb 0.57 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.69 1d2b h PRO 8 CO 0.35 0.00 -0.28 -0.56 -0.23 0.00 0.00 178.00 177.28 1d2b h GLN 9 N 0.00 0.24 0.05 0.86 -0.00 -1.79 0.61 115.11 115.09 1d2b h GLN 9 Ca 0.00 -0.09 -0.34 0.00 -0.00 0.00 0.00 58.65 58.23 1d2b h GLN 9 Cb 0.32 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.48 27.74 1d2b h GLN 9 CO 0.00 0.51 -1.87 2.41 -0.00 0.00 0.00 178.83 179.88 1d2b n THR 10 N -4.14 1.63 -0.36 1.86 -1.04 -0.18 -3.54 114.28 108.50 1d2b n THR 10 Ca -0.01 -0.39 0.02 0.00 -2.04 0.00 0.00 64.05 61.64 1d2b n THR 10 Cb 0.38 -1.82 0.18 0.00 -1.82 0.00 0.00 70.33 67.25 1d2b n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d2b h ALA 11 N -0.28 1.40 0.07 2.41 0.00 0.18 0.22 119.26 123.27 1d2b h ALA 11 Ca -0.46 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1d2b h ALA 11 Cb 1.70 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1d2b h ALA 11 CO -0.11 0.46 -0.03 0.35 0.00 0.00 0.00 179.25 179.92 1d2b h PHE 12 N 1.18 -0.09 0.00 0.00 3.57 0.05 -3.00 116.94 118.65 1d2b h PHE 12 Ca 0.42 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1d2b h PHE 12 Cb 0.13 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1d2b h PHE 12 CO -0.00 -0.05 -0.01 0.00 -2.23 0.00 0.00 178.31 176.02 1d2b n ASN 14 N -3.16 0.38 -3.21 0.00 3.02 0.77 -4.96 115.26 108.10 1d2b n ASN 14 Ca -0.02 0.16 -0.27 0.00 -0.03 0.00 0.00 54.58 54.42 1d2b n ASN 14 Cb 0.13 0.99 0.26 0.00 -0.61 0.00 0.00 39.78 40.55 1d2b n ASN 14 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d2b n SER 15 N -2.63 -3.77 0.00 6.41 7.64 -1.03 -5.01 113.62 115.23 1d2b n SER 15 Ca -0.12 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1d2b n SER 15 Cb 0.79 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1d2b n SER 15 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1d2b n ASP 16 N -5.44 0.37 -3.38 6.43 9.92 0.37 -4.90 116.55 119.92 1d2b n ASP 16 Ca 0.12 -1.14 0.02 0.00 -0.53 0.00 0.00 54.79 53.27 1d2b n ASP 16 Cb 0.53 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.98 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1d2b s LEU 17 N -0.14 -1.11 -0.10 0.64 1.43 0.60 -4.18 118.68 115.82 1d2b s LEU 17 Ca 0.00 1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 54.17 1d2b s LEU 17 Cb 0.00 2.09 0.03 0.00 0.03 0.00 0.00 46.19 48.34 1d2b s LEU 17 CO 0.00 -0.21 -0.01 -0.69 0.23 0.00 0.00 176.35 175.67 1d2b s VAL 18 N 2.83 0.52 0.10 -1.59 1.01 -0.62 0.31 120.40 122.97 1d2b s VAL 18 Ca 0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1d2b s VAL 18 Cb -0.12 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.60 1d2b s VAL 18 CO -0.19 0.21 0.50 0.27 0.00 0.00 0.00 175.10 175.89 1d2b s ILE 19 N 1.91 0.04 -0.12 2.22 -0.00 0.66 0.94 121.20 126.84 1d2b s ILE 19 Ca 0.04 -0.30 -0.12 0.00 -0.00 0.00 0.00 60.65 60.27 1d2b s ILE 19 Cb -0.13 -1.05 -0.05 0.00 -0.00 0.00 0.00 42.46 41.23 1d2b s ILE 19 CO -0.06 -0.17 0.27 0.00 -0.00 0.00 0.00 174.94 174.98 1d2b s ARG 20 N -3.27 3.98 0.30 0.37 1.70 0.34 0.61 118.95 122.98 1d2b s ARG 20 Ca -0.01 0.08 -0.10 0.00 -0.47 0.00 0.00 55.73 55.24 1d2b s ARG 20 Cb 0.00 -3.32 0.01 0.00 -0.57 0.00 0.00 34.95 31.06 1d2b s ARG 20 CO -0.08 0.47 0.53 0.00 -1.08 0.00 0.00 175.30 175.13 1d2b s ALA 21 N -0.23 0.02 0.03 7.88 0.00 -0.73 -0.09 121.76 128.63 1d2b s ALA 21 Ca 0.17 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.14 1d2b s ALA 21 Cb -0.13 1.04 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 1d2b s ALA 21 CO 0.05 -0.86 -0.24 0.15 0.00 0.00 0.00 175.76 174.87 1d2b s LYS 22 N -3.44 1.73 -0.30 0.00 1.02 0.11 0.19 119.74 119.04 1d2b s LYS 22 Ca 0.24 -0.98 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 1d2b s LYS 22 Cb -0.01 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 1d2b s LYS 22 CO 0.13 0.48 0.47 -0.06 -0.92 0.00 0.00 175.35 175.45 1d2b s PHE 23 N -0.72 3.23 -0.27 3.18 0.40 -1.12 0.49 117.98 123.16 1d2b s PHE 23 Ca 0.10 0.38 0.15 0.00 -0.60 0.00 0.00 56.93 56.96 1d2b s PHE 23 Cb -0.09 -2.75 0.48 0.00 0.51 0.00 0.00 43.02 41.17 1d2b s PHE 23 CO 0.01 -0.37 1.15 1.33 0.70 0.00 0.00 175.22 178.04 1d2b n VAL 24 N 5.25 1.90 -3.66 -0.44 0.24 -0.74 -3.53 118.33 117.35 1d2b n VAL 24 Ca -0.06 -3.56 -0.05 0.00 -2.04 0.00 0.00 64.34 58.63 1d2b n VAL 24 Cb 0.50 0.09 -0.01 0.00 -1.47 0.00 0.00 33.84 32.94 1d2b n VAL 24 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d2b s GLY 25 N -3.70 -0.33 0.25 7.63 0.00 -0.68 -4.71 107.32 105.79 1d2b s GLY 25 Ca 0.39 0.51 0.05 0.00 0.00 0.00 0.00 44.72 45.68 1d2b s GLY 25 CO -0.00 0.14 0.37 -1.59 0.00 0.00 0.00 173.10 172.02 1d2b s THR 26 N -3.12 5.05 -0.44 0.90 2.01 -1.26 -4.25 115.64 114.53 1d2b s THR 26 Ca 0.10 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.80 1d2b s THR 26 Cb -0.01 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.75 1d2b s THR 26 CO -0.02 -0.31 1.18 -2.16 -0.69 0.00 0.00 174.62 172.62 1d2b s PRO 27 N -4.00 3.76 0.84 4.92 0.04 -1.26 -4.26 135.00 135.04 1d2b s PRO 27 Ca 0.35 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1d2b s PRO 27 Cb -0.09 -3.90 0.09 0.00 0.04 0.00 0.00 34.50 30.64 1d2b s PRO 27 CO 0.29 -1.33 1.09 -1.83 0.04 0.00 0.00 177.00 175.26 1d2b s GLU 28 N 4.40 1.74 -0.35 4.56 -1.05 -0.57 -4.91 118.70 122.52 1d2b s GLU 28 Ca 0.50 0.86 0.03 0.00 -0.15 0.00 0.00 54.97 56.21 1d2b s GLU 28 Cb -0.09 -1.86 0.15 0.00 -0.44 0.00 0.00 34.13 31.89 1d2b s GLU 28 CO 0.29 -1.92 0.37 0.08 0.95 0.00 0.00 175.26 175.04 1d2b s VAL 29 N -2.98 -0.37 0.58 1.83 1.01 -1.26 -3.90 120.40 115.31 1d2b s VAL 29 Ca 0.62 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1d2b s VAL 29 Cb -0.17 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 1d2b s VAL 29 CO 0.56 -0.54 1.03 0.21 0.00 0.00 0.00 175.10 176.36 1d2b s ASN 30 N 1.64 6.02 0.00 3.32 2.47 -1.26 -4.91 114.94 122.23 1d2b s ASN 30 Ca 0.15 1.71 0.29 0.00 0.42 0.00 0.00 52.86 55.43 1d2b s ASN 30 Cb -0.15 -2.52 1.19 0.00 -1.45 0.00 0.00 41.25 38.32 1d2b s ASN 30 CO -0.10 -1.00 1.88 0.00 -3.72 0.00 0.00 177.10 174.16 1d2b n GLN 31 N -2.01 0.15 -1.02 0.43 1.13 -1.26 -3.92 117.38 110.88 1d2b n GLN 31 Ca 0.08 -0.02 0.01 0.00 -1.94 0.00 0.00 57.00 55.13 1d2b n GLN 31 Cb 0.53 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1d2b n GLN 31 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1d2b n THR 32 N -1.40 0.00 -0.05 5.09 -1.04 -1.26 -4.83 114.28 110.79 1d2b n THR 32 Ca 0.09 -0.47 -0.21 0.00 -2.04 0.00 0.00 64.05 61.41 1d2b n THR 32 Cb 0.31 0.70 -0.13 0.00 -1.82 0.00 0.00 70.33 69.40 1d2b n THR 32 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d2b h THR 33 N 6.67 0.89 0.00 12.58 1.03 -1.92 -3.47 112.91 128.69 1d2b h THR 33 Ca -0.16 -2.28 0.00 0.00 -0.01 0.00 0.00 66.41 63.96 1d2b h THR 33 Cb 1.61 2.44 0.00 0.00 -1.07 0.00 0.00 68.15 71.13 1d2b h THR 33 CO 0.02 0.56 0.00 0.18 -0.01 0.00 0.00 175.52 176.27 1d2b n LEU 34 N -4.08 0.00 -4.03 0.00 4.77 -1.26 -4.87 117.00 107.53 1d2b n LEU 34 Ca -0.30 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.59 1d2b n LEU 34 Cb 0.82 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.83 1d2b n LEU 34 CO 0.31 0.00 -0.16 -0.72 -1.33 0.00 0.00 177.39 175.49 1d2b s TYR 35 N -2.12 0.55 0.38 -1.77 1.13 -1.26 0.98 117.35 115.24 1d2b s TYR 35 Ca 0.00 -0.94 0.05 0.00 -1.41 0.00 0.00 57.07 54.77 1d2b s TYR 35 Cb 0.00 -0.24 -0.07 0.00 -1.10 0.00 0.00 41.96 40.56 1d2b s TYR 35 CO 0.00 -0.60 0.04 -0.65 -2.51 0.00 0.00 175.55 171.83 1d2b s GLN 36 N -3.98 1.84 -0.05 -3.49 -0.21 0.53 -4.36 119.66 109.93 1d2b s GLN 36 Ca 0.18 -2.04 0.01 0.00 0.02 0.00 0.00 55.36 53.52 1d2b s GLN 36 Cb 0.05 -1.24 0.02 0.00 1.00 0.00 0.00 33.01 32.84 1d2b s GLN 36 CO -0.01 -0.15 -0.07 1.03 -2.12 0.00 0.00 175.29 173.97 1d2b s ARG 37 N -3.80 1.12 0.03 2.91 0.52 -1.25 -1.97 118.95 116.51 1d2b s ARG 37 Ca 0.33 -0.21 0.06 0.00 -0.52 0.00 0.00 55.73 55.40 1d2b s ARG 37 Cb 0.09 -1.03 -0.03 0.00 0.52 0.00 0.00 34.95 34.49 1d2b s ARG 37 CO 0.16 -0.05 -0.14 0.71 0.02 0.00 0.00 175.30 176.00 1d2b s TYR 38 N 0.85 2.68 -0.15 -0.53 2.02 -0.80 -1.51 117.35 119.91 1d2b s TYR 38 Ca -0.12 -0.18 -0.07 0.00 -0.37 0.00 0.00 57.07 56.33 1d2b s TYR 38 Cb -0.15 -1.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1d2b s TYR 38 CO 0.01 0.30 0.12 -1.21 -1.57 0.00 0.00 175.55 173.20 1d2b s GLU 39 N -1.49 3.68 -0.04 -0.62 8.01 -1.26 -1.50 118.70 125.49 1d2b s GLU 39 Ca 0.16 -0.20 -0.03 0.00 0.01 0.00 0.00 54.97 54.91 1d2b s GLU 39 Cb -0.11 -3.23 0.02 0.00 -4.31 0.00 0.00 34.13 26.50 1d2b s GLU 39 CO 0.07 0.58 0.09 0.96 0.01 0.00 0.00 175.26 176.96 1d2b s ILE 40 N -0.45 -0.02 -1.14 -1.63 -4.36 -0.81 -1.69 121.20 111.10 1d2b s ILE 40 Ca 0.11 0.07 -0.21 0.00 -0.26 0.00 0.00 60.65 60.37 1d2b s ILE 40 Cb -0.12 -0.15 0.01 0.00 1.25 0.00 0.00 42.46 43.45 1d2b s ILE 40 CO 0.02 0.03 1.76 -0.75 0.24 0.00 0.00 174.94 176.23 1d2b s LYS 41 N 0.47 3.27 0.17 0.37 2.47 1.83 -4.72 119.74 123.60 1d2b s LYS 41 Ca -0.04 -1.30 -0.33 0.00 -1.56 0.00 0.00 55.97 52.75 1d2b s LYS 41 Cb -0.05 -5.34 -0.13 0.00 -1.46 0.00 0.00 37.83 30.85 1d2b s LYS 41 CO -0.02 -2.88 1.68 -0.12 0.16 0.00 0.00 175.35 174.17 1d2b n MET 42 N 8.56 2.50 -0.02 4.03 0.00 -1.26 0.04 117.12 130.97 1d2b n MET 42 Ca 0.43 0.90 -0.01 0.00 -0.00 0.00 0.00 57.70 59.02 1d2b n MET 42 Cb 0.47 -2.72 -0.00 0.00 0.00 0.00 0.00 33.22 30.97 1d2b n MET 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1d2b h THR 43 N 3.88 0.00 -3.16 1.12 2.02 -0.82 -3.46 112.91 112.49 1d2b h THR 43 Ca -0.44 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 66.28 1d2b h THR 43 Cb 1.23 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.39 1d2b h THR 43 CO 0.93 0.00 -0.42 -0.54 0.37 0.00 0.00 175.52 175.85 1d2b s LYS 44 N -1.35 0.32 0.05 6.66 1.02 -0.88 -5.02 119.74 120.54 1d2b s LYS 44 Ca -0.04 0.26 -0.16 0.00 0.02 0.00 0.00 55.97 56.05 1d2b s LYS 44 Cb 0.01 0.15 -0.06 0.00 -0.52 0.00 0.00 37.83 37.41 1d2b s LYS 44 CO 0.06 -0.05 0.48 0.00 -0.92 0.00 0.00 175.35 174.92 1d2b s MET 45 N -0.06 4.02 -0.06 1.68 0.23 -1.26 -0.50 119.30 123.34 1d2b s MET 45 Ca -0.02 0.52 0.09 0.00 -1.03 0.00 0.00 55.69 55.25 1d2b s MET 45 Cb -0.02 -3.18 0.17 0.00 -1.53 0.00 0.00 34.83 30.27 1d2b s MET 45 CO 0.01 0.64 1.11 0.66 -2.03 0.00 0.00 175.02 175.41 1d2b n TYR 46 N 1.61 0.14 0.00 3.16 4.02 0.27 -4.92 117.16 121.43 1d2b n TYR 46 Ca -0.11 -0.69 0.00 0.00 -0.01 0.00 0.00 57.90 57.09 1d2b n TYR 46 Cb 0.52 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.74 1d2b n TYR 46 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1d2b n LYS 47 N -0.67 0.00 0.00 -0.72 0.00 -0.36 -4.79 118.16 111.62 1d2b n LYS 47 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.39 1d2b n LYS 47 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.48 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d2b n GLY 48 N 0.00 -0.04 0.31 3.14 0.00 -1.26 -1.58 105.19 105.76 1d2b n GLY 48 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1d2b n GLY 48 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1d2b h PHE 49 N 0.00 0.02 0.00 1.61 0.04 -1.95 2.28 116.94 118.95 1d2b h PHE 49 Ca 0.00 0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1d2b h PHE 49 Cb 0.00 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 1d2b h PHE 49 CO 0.00 -0.32 -0.06 -0.56 -0.60 0.00 0.00 178.31 176.77 1d2b h GLN 50 N 0.09 0.00 -0.00 1.51 3.07 -2.00 0.10 115.11 117.88 1d2b h GLN 50 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.26 1d2b h GLN 50 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.57 1d2b h GLN 50 CO -0.77 0.06 -0.68 0.00 0.09 0.00 0.00 178.83 177.53 1d2b n ALA 51 N -2.36 4.03 0.10 0.06 0.00 0.64 -4.49 120.51 118.50 1d2b n ALA 51 Ca -0.03 -0.53 -0.15 0.00 0.00 0.00 0.00 53.44 52.74 1d2b n ALA 51 Cb 0.15 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 1d2b n ALA 51 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1d2b h LEU 52 N 0.68 -1.35 0.00 0.00 4.07 0.49 -3.43 115.31 115.77 1d2b h LEU 52 Ca 0.00 0.15 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1d2b h LEU 52 Cb 0.56 0.51 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1d2b h LEU 52 CO 0.00 -0.51 0.00 0.61 -1.08 0.00 0.00 178.44 177.46 1d2b n GLY 53 N -1.47 2.83 0.91 0.83 0.00 -1.26 -3.24 105.19 103.79 1d2b n GLY 53 Ca -0.07 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1d2b n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d2b n ASP 54 N 1.70 0.00 0.00 1.61 9.92 -1.26 -5.04 116.55 123.49 1d2b n ASP 54 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1d2b n ASP 54 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1d2b n ALA 55 N -2.01 0.59 -3.90 2.24 0.00 -1.26 -5.05 120.51 111.10 1d2b n ALA 55 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1d2b n ALA 55 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b s ALA 56 N -1.00 3.40 -1.33 0.00 0.00 -1.26 -4.90 121.76 116.67 1d2b s ALA 56 Ca 0.00 -3.32 0.16 0.00 0.00 0.00 0.00 51.96 48.80 1d2b s ALA 56 Cb 0.00 -2.25 0.47 0.00 0.00 0.00 0.00 23.12 21.33 1d2b s ALA 56 CO 0.00 -2.04 1.39 -3.47 0.00 0.00 0.00 175.76 171.64 1d2b n ASP 57 N 3.08 3.46 -3.33 0.00 2.03 -1.20 -4.81 116.55 115.78 1d2b n ASP 57 Ca 0.07 -2.05 -0.25 0.00 0.52 0.00 0.00 54.79 53.08 1d2b n ASP 57 Cb 0.33 -0.36 -0.09 0.00 -0.72 0.00 0.00 41.12 40.28 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1d2b s ILE 58 N -1.09 0.17 -0.36 5.18 1.01 -1.26 -4.72 121.20 120.12 1d2b s ILE 58 Ca 0.35 -2.38 0.03 0.00 0.00 0.00 0.00 60.65 58.66 1d2b s ILE 58 Cb 0.19 -1.10 0.01 0.00 0.01 0.00 0.00 42.46 41.57 1d2b s ILE 58 CO 0.23 -1.08 0.50 -2.11 0.00 0.00 0.00 174.94 172.48 1d2b n ARG 59 N 2.96 0.94 -3.82 2.79 1.85 -1.26 -4.69 116.66 115.43 1d2b n ARG 59 Ca 0.27 -0.55 -0.12 0.00 -1.00 0.00 0.00 57.85 56.45 1d2b n ARG 59 Cb 0.48 -0.97 -0.10 0.00 -1.05 0.00 0.00 32.46 30.82 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1d2b s PHE 60 N -0.51 -0.12 -0.19 2.89 0.40 -1.26 -1.92 117.98 117.27 1d2b s PHE 60 Ca 0.03 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.60 1d2b s PHE 60 Cb 0.03 0.03 0.01 0.00 0.51 0.00 0.00 43.02 43.61 1d2b s PHE 60 CO 0.06 -0.25 -0.17 0.14 0.70 0.00 0.00 175.22 175.71 1d2b s VAL 61 N -0.80 2.34 -0.45 -0.44 -7.23 -0.56 -3.84 120.40 109.42 1d2b s VAL 61 Ca -0.09 -0.85 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 1d2b s VAL 61 Cb -0.05 -2.01 0.06 0.00 0.56 0.00 0.00 36.38 34.94 1d2b s VAL 61 CO 0.02 0.51 0.35 -0.31 -0.31 0.00 0.00 175.10 175.36 1d2b s TYR 62 N 1.33 3.25 -0.11 2.82 1.51 0.28 -1.91 117.35 124.52 1d2b s TYR 62 Ca 0.05 -0.90 0.01 0.00 -1.01 0.00 0.00 57.07 55.22 1d2b s TYR 62 Cb -0.13 -2.99 -0.01 0.00 -0.11 0.00 0.00 41.96 38.72 1d2b s TYR 62 CO -0.11 -0.75 -0.15 -0.08 -1.11 0.00 0.00 175.55 173.35 1d2b s THR 63 N 1.63 2.87 0.31 -0.71 -1.32 -0.83 -2.91 115.64 114.68 1d2b s THR 63 Ca 0.04 -0.74 -0.27 0.00 -1.21 0.00 0.00 61.69 59.51 1d2b s THR 63 Cb -0.23 -2.17 -0.14 0.00 -1.51 0.00 0.00 72.50 68.45 1d2b s THR 63 CO 0.07 0.54 0.93 -2.65 -2.21 0.00 0.00 174.62 171.30 1d2b n PRO 64 N 3.27 1.18 -2.09 7.08 -0.02 -1.25 0.20 135.00 143.37 1d2b n PRO 64 Ca -0.18 0.42 -0.34 0.00 -2.02 0.00 0.00 63.50 61.37 1d2b n PRO 64 Cb 0.53 -1.77 0.03 0.00 -0.02 0.00 0.00 33.50 32.26 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b n ALA 65 N 0.01 5.91 -2.17 3.55 0.00 6.36 -1.87 120.51 132.30 1d2b n ALA 65 Ca 0.10 -4.14 -0.20 0.00 0.00 0.00 0.00 53.44 49.21 1d2b n ALA 65 Cb 0.33 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.39 1d2b n ALA 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1d2b s MET 66 N -3.84 2.58 -0.02 0.00 1.75 -1.19 -4.39 119.30 114.19 1d2b s MET 66 Ca 0.51 -1.49 -0.20 0.00 -1.25 0.00 0.00 55.69 53.27 1d2b s MET 66 Cb 0.43 -2.46 -0.12 0.00 2.84 0.00 0.00 34.83 35.52 1d2b s MET 66 CO -0.29 -0.24 0.83 1.49 -0.65 0.00 0.00 175.02 176.17 1d2b h GLU 67 N 0.91 -0.54 -2.53 4.11 4.22 -1.96 -3.35 114.58 115.44 1d2b h GLU 67 Ca -0.41 0.04 -0.78 0.00 0.08 0.00 0.00 59.36 58.29 1d2b h GLU 67 Cb 1.27 0.12 -0.30 0.00 0.50 0.00 0.00 28.75 30.35 1d2b h GLU 67 CO 0.54 -0.28 0.68 0.43 -2.18 0.00 0.00 179.01 178.20 1d2b n SER 68 N -5.16 6.48 0.00 1.04 7.64 -1.26 -4.92 113.62 117.44 1d2b n SER 68 Ca -0.08 -3.55 0.00 0.00 1.01 0.00 0.00 58.87 56.24 1d2b n SER 68 Cb 0.26 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1d2b n VAL 69 N 0.59 0.00 -0.03 0.44 3.14 -1.26 -4.82 118.33 116.39 1d2b n VAL 69 Ca 0.35 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.71 1d2b n VAL 69 Cb 0.31 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.09 1d2b n VAL 69 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d2b n GLY 71 N 1.65 -1.23 3.56 0.00 0.00 -0.78 -4.79 105.19 103.59 1d2b n GLY 71 Ca -0.03 0.49 -0.39 0.00 0.00 0.00 0.00 46.02 46.09 1d2b n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d2b s TYR 72 N -2.98 1.75 -0.89 1.61 6.14 -1.26 -4.85 117.35 116.86 1d2b s TYR 72 Ca 0.01 0.73 0.00 0.00 0.64 0.00 0.00 57.07 58.45 1d2b s TYR 72 Cb -0.00 -4.13 0.31 0.00 0.42 0.00 0.00 41.96 38.56 1d2b s TYR 72 CO 0.74 -2.38 1.38 1.19 0.64 0.00 0.00 175.55 177.12 1d2b n PHE 73 N 12.04 3.00 -1.49 4.97 3.01 -1.26 -4.92 117.46 132.81 1d2b n PHE 73 Ca 0.20 -3.10 -0.42 0.00 1.01 0.00 0.00 57.45 55.14 1d2b n PHE 73 Cb 0.51 -0.97 0.01 0.00 -0.01 0.00 0.00 39.48 39.02 1d2b n PHE 73 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1d2b n HIS 74 N 0.46 -0.08 -2.87 1.38 -0.00 -1.26 -4.92 115.22 107.93 1d2b n HIS 74 Ca 0.35 0.60 -0.23 0.00 -0.00 0.00 0.00 57.72 58.44 1d2b n HIS 74 Cb 0.33 -2.05 -0.02 0.00 -0.00 0.00 0.00 29.99 28.25 1d2b n HIS 74 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1d2b n ARG 75 N 0.48 2.56 -2.76 1.57 5.12 -1.26 -4.83 116.66 117.55 1d2b n ARG 75 Ca 0.11 -4.29 -0.09 0.00 -1.93 0.00 0.00 57.85 51.65 1d2b n ARG 75 Cb 0.39 -2.02 0.07 0.00 -1.16 0.00 0.00 32.46 29.74 1d2b n ARG 75 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1d2b n SER 76 N -0.16 -2.35 -1.94 0.55 7.64 -1.26 -5.00 113.62 111.09 1d2b n SER 76 Ca 0.29 -3.58 -0.03 0.00 1.01 0.00 0.00 58.87 56.57 1d2b n SER 76 Cb 0.55 1.80 -0.04 0.00 -1.01 0.00 0.00 64.21 65.51 1d2b n SER 76 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1d2b n HIS 77 N 0.68 0.00 -2.02 1.43 1.44 -1.26 -4.70 115.22 110.80 1d2b n HIS 77 Ca 0.08 -0.68 -0.43 0.00 -2.01 0.00 0.00 57.72 54.68 1d2b n HIS 77 Cb 0.68 -0.69 -0.03 0.00 0.12 0.00 0.00 29.99 30.07 1d2b n HIS 77 CO 0.00 0.00 0.00 1.21 -2.81 0.00 0.00 176.34 174.74 1d2b s ASN 78 N 2.20 6.34 0.24 4.39 2.47 -1.26 -4.81 114.94 124.51 1d2b s ASN 78 Ca 0.16 1.81 -0.02 0.00 0.42 0.00 0.00 52.86 55.24 1d2b s ASN 78 Cb 0.08 -2.53 0.27 0.00 -1.45 0.00 0.00 41.25 37.62 1d2b s ASN 78 CO 0.00 -1.26 1.67 0.08 -3.72 0.00 0.00 177.10 173.87 1d2b h ARG 79 N 10.96 0.69 -0.22 0.43 -0.00 -1.88 -2.95 114.38 121.41 1d2b h ARG 79 Ca -0.36 -0.26 0.00 0.00 -0.00 0.00 0.00 59.98 59.36 1d2b h ARG 79 Cb 1.17 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.10 1d2b h ARG 79 CO 0.99 0.84 0.00 0.43 -0.00 0.00 0.00 179.97 182.23 1d2b n SER 80 N -4.13 2.53 -4.61 0.08 7.64 -1.26 -4.68 113.62 109.19 1d2b n SER 80 Ca 0.00 -1.90 -0.40 0.00 1.01 0.00 0.00 58.87 57.59 1d2b n SER 80 Cb 0.41 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.38 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1d2b s GLU 81 N -0.95 4.05 1.04 1.43 2.56 -1.22 -5.05 118.70 120.55 1d2b s GLU 81 Ca 0.16 0.21 -0.13 0.00 0.00 0.00 0.00 54.97 55.22 1d2b s GLU 81 Cb 0.09 -3.65 0.21 0.00 2.00 0.00 0.00 34.13 32.78 1d2b s GLU 81 CO 0.11 -0.32 1.08 -1.83 -0.56 0.00 0.00 175.26 173.74 1d2b s GLU 82 N 2.21 0.09 0.31 4.30 -1.05 -1.26 -4.21 118.70 119.07 1d2b s GLU 82 Ca 0.19 0.58 -0.12 0.00 -0.15 0.00 0.00 54.97 55.46 1d2b s GLU 82 Cb -0.16 -1.69 0.01 0.00 -0.44 0.00 0.00 34.13 31.85 1d2b s GLU 82 CO 0.09 -2.98 0.58 -0.06 0.95 0.00 0.00 175.26 173.84 1d2b s PHE 83 N -2.85 0.42 -0.15 4.83 0.40 0.50 -4.33 117.98 116.79 1d2b s PHE 83 Ca 0.66 -0.83 0.02 0.00 -0.60 0.00 0.00 56.93 56.18 1d2b s PHE 83 Cb -0.20 0.33 0.02 0.00 0.51 0.00 0.00 43.02 43.67 1d2b s PHE 83 CO 0.59 -1.19 -0.20 -1.17 0.70 0.00 0.00 175.22 173.96 1d2b s LEU 84 N -3.07 2.02 -0.28 -0.37 1.98 -0.25 -1.78 118.68 116.93 1d2b s LEU 84 Ca 0.21 -0.58 0.01 0.00 -2.89 0.00 0.00 54.13 50.88 1d2b s LEU 84 Cb -0.02 -1.38 0.08 0.00 0.66 0.00 0.00 46.19 45.52 1d2b s LEU 84 CO 0.12 0.03 -0.00 -0.63 -1.89 0.00 0.00 176.35 173.97 1d2b s ILE 85 N 1.08 1.64 -0.32 6.68 1.01 0.20 -2.44 121.20 129.06 1d2b s ILE 85 Ca -0.01 -1.56 -0.15 0.00 0.00 0.00 0.00 60.65 58.92 1d2b s ILE 85 Cb -0.14 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.28 1d2b s ILE 85 CO -0.07 -0.32 0.36 0.00 0.00 0.00 0.00 174.94 174.91 1d2b s ALA 86 N 1.29 3.51 0.00 9.38 0.00 -0.51 -0.25 121.76 135.19 1d2b s ALA 86 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1d2b s ALA 86 Cb -0.19 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.15 1d2b s ALA 86 CO -0.10 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.13 1d2b n GLY 87 N 4.90 3.17 3.35 0.00 0.00 0.91 -4.28 105.19 113.24 1d2b n GLY 87 Ca -0.09 -1.20 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 1d2b n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d2b s LYS 88 N -1.03 1.55 -0.20 1.61 2.20 -1.17 0.22 119.74 122.91 1d2b s LYS 88 Ca 0.00 -1.87 -0.01 0.00 -0.36 0.00 0.00 55.97 53.73 1d2b s LYS 88 Cb 0.00 -0.23 0.01 0.00 -1.51 0.00 0.00 37.83 36.11 1d2b s LYS 88 CO 0.00 -0.38 -0.13 -0.51 -0.36 0.00 0.00 175.35 173.96 1d2b s LEU 89 N -3.37 2.53 -0.37 5.43 1.43 -1.26 -1.62 118.68 121.45 1d2b s LEU 89 Ca 0.36 -0.62 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 1d2b s LEU 89 Cb 0.06 -1.58 -0.00 0.00 0.03 0.00 0.00 46.19 44.70 1d2b s LEU 89 CO 0.16 -0.03 0.27 -1.10 0.23 0.00 0.00 176.35 175.88 1d2b s GLN 90 N 1.34 3.25 -0.93 1.70 1.11 0.88 -4.59 119.66 122.42 1d2b s GLN 90 Ca 0.04 -0.82 -0.08 0.00 0.01 0.00 0.00 55.36 54.52 1d2b s GLN 90 Cb -0.14 -3.88 0.07 0.00 -1.01 0.00 0.00 33.01 28.05 1d2b s GLN 90 CO -0.09 -0.58 0.28 -0.25 0.01 0.00 0.00 175.29 174.66 1d2b n ASP 91 N 5.13 -2.47 0.00 5.90 8.00 -1.26 -1.40 116.55 130.45 1d2b n ASP 91 Ca -0.12 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.21 1d2b n ASP 91 Cb 0.48 -2.13 0.00 0.00 -0.02 0.00 0.00 41.12 39.46 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d2b n GLY 92 N -0.88 0.85 3.33 0.44 0.00 -1.26 -5.10 105.19 102.57 1d2b n GLY 92 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1d2b n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d2b s LEU 93 N 0.00 2.42 0.63 0.99 2.01 -0.49 -5.01 118.68 119.22 1d2b s LEU 93 Ca 0.00 -0.84 -0.15 0.00 0.01 0.00 0.00 54.13 53.14 1d2b s LEU 93 Cb 0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 46.19 45.35 1d2b s LEU 93 CO 0.00 -0.03 1.08 -0.22 1.01 0.00 0.00 176.35 178.20 1d2b s LEU 94 N -2.58 3.44 -0.03 1.79 2.96 -1.25 -0.08 118.68 122.92 1d2b s LEU 94 Ca 0.15 1.91 -0.07 0.00 -0.22 0.00 0.00 54.13 55.89 1d2b s LEU 94 Cb -0.06 -4.54 0.01 0.00 0.50 0.00 0.00 46.19 42.10 1d2b s LEU 94 CO 0.06 -1.40 0.17 -1.00 -1.32 0.00 0.00 176.35 172.87 1d2b s HIS 95 N -2.39 -0.09 0.04 5.38 3.76 -0.64 -0.55 115.29 120.79 1d2b s HIS 95 Ca 0.65 0.21 0.03 0.00 -0.15 0.00 0.00 55.06 55.79 1d2b s HIS 95 Cb -0.18 0.02 -0.02 0.00 1.11 0.00 0.00 32.58 33.50 1d2b s HIS 95 CO 0.39 -0.20 -0.09 0.42 -0.85 0.00 0.00 174.74 174.42 1d2b s ILE 96 N -0.63 0.62 0.01 0.60 -1.09 -1.15 -3.06 121.20 116.50 1d2b s ILE 96 Ca -0.07 -0.96 0.01 0.00 -2.23 0.00 0.00 60.65 57.40 1d2b s ILE 96 Cb -0.04 -0.64 -0.01 0.00 -1.58 0.00 0.00 42.46 40.19 1d2b s ILE 96 CO 0.01 -0.25 -0.03 0.42 -1.23 0.00 0.00 174.94 173.86 1d2b s THR 97 N -1.12 0.21 -1.90 2.92 -4.23 -1.26 -4.54 115.64 105.71 1d2b s THR 97 Ca -0.06 -0.32 0.12 0.00 -1.18 0.00 0.00 61.69 60.26 1d2b s THR 97 Cb -0.09 -0.22 0.33 0.00 1.34 0.00 0.00 72.50 73.87 1d2b s THR 97 CO 0.01 -0.07 1.20 1.07 -0.54 0.00 0.00 174.62 176.28 1d2b n THR 98 N 2.66 0.12 -1.10 3.99 5.66 -1.00 -1.02 114.28 123.59 1d2b n THR 98 Ca -0.15 0.03 -0.04 0.00 -3.05 0.00 0.00 64.05 60.84 1d2b n THR 98 Cb 0.58 -0.83 0.28 0.00 -1.55 0.00 0.00 70.33 68.81 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s SER 100 N -1.40 2.26 -0.43 0.00 0.15 -0.19 -4.79 113.70 109.31 1d2b s SER 100 Ca 0.52 -1.01 -0.28 0.00 0.70 0.00 0.00 55.95 55.88 1d2b s SER 100 Cb 0.42 -0.09 -0.01 0.00 -1.71 0.00 0.00 66.02 64.64 1d2b s SER 100 CO 0.11 -0.22 1.68 0.12 1.20 0.00 0.00 173.24 176.12 1d2b s PHE 101 N -3.05 1.97 -0.26 3.44 2.19 -1.26 -4.70 117.98 116.31 1d2b s PHE 101 Ca 0.20 0.65 -0.02 0.00 0.33 0.00 0.00 56.93 58.09 1d2b s PHE 101 Cb 0.00 -4.19 0.12 0.00 -1.31 0.00 0.00 43.02 37.64 1d2b s PHE 101 CO 0.04 -2.48 0.29 0.08 1.83 0.00 0.00 175.22 174.98 1d2b s VAL 102 N 6.92 -0.42 0.26 3.12 1.01 -1.26 -1.42 120.40 128.61 1d2b s VAL 102 Ca 0.70 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.15 1d2b s VAL 102 Cb -0.17 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.37 1d2b s VAL 102 CO 0.30 -0.33 0.70 0.00 0.00 0.00 0.00 175.10 175.76 1d2b s ALA 103 N 2.39 -1.29 -0.03 5.51 0.00 -1.02 -5.04 121.76 122.27 1d2b s ALA 103 Ca 0.09 -0.16 -0.35 0.00 0.00 0.00 0.00 51.96 51.54 1d2b s ALA 103 Cb -0.15 0.86 -0.13 0.00 0.00 0.00 0.00 23.12 23.70 1d2b s ALA 103 CO -0.24 -0.99 1.73 -2.30 0.00 0.00 0.00 175.76 173.96 1d2b n PRO 104 N -0.44 1.91 -0.10 0.00 -0.02 -1.26 -1.09 135.00 134.00 1d2b n PRO 104 Ca -0.06 0.70 -0.06 0.00 -2.02 0.00 0.00 63.50 62.05 1d2b n PRO 104 Cb 0.60 -2.48 -0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 7.57 -0.56 0.00 6.00 2.91 -1.75 0.38 115.95 130.50 1d2b h TRP 105 Ca -0.47 0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1d2b h TRP 105 Cb 1.28 0.30 0.00 0.00 -0.51 0.00 0.00 29.16 30.23 1d2b h TRP 105 CO 0.77 -0.29 0.00 0.09 -1.03 0.00 0.00 178.44 177.97 1d2b n ASN 106 N -5.38 0.00 0.00 2.65 3.02 -1.26 0.96 115.26 115.25 1d2b n ASN 106 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1d2b n ASN 106 Cb 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1d2b n ASN 106 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1d2b n SER 107 N -0.26 0.68 -4.77 6.41 2.88 0.13 -5.06 113.62 113.63 1d2b n SER 107 Ca 0.00 -0.40 -0.30 0.00 -1.33 0.00 0.00 58.87 56.84 1d2b n SER 107 Cb 0.00 0.94 0.10 0.00 -0.75 0.00 0.00 64.21 64.50 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1d2b s LEU 108 N -2.01 2.63 -0.21 2.46 1.02 0.27 -4.98 118.68 117.87 1d2b s LEU 108 Ca 0.00 1.51 -0.29 0.00 0.02 0.00 0.00 54.13 55.37 1d2b s LEU 108 Cb 0.00 -4.11 -0.01 0.00 0.02 0.00 0.00 46.19 42.09 1d2b s LEU 108 CO 0.00 -2.15 1.33 -0.44 0.02 0.00 0.00 176.35 175.11 1d2b s SER 109 N -3.62 6.79 0.40 2.29 0.01 -1.26 -4.78 113.70 113.53 1d2b s SER 109 Ca 0.61 1.57 0.33 0.00 1.31 0.00 0.00 55.95 59.77 1d2b s SER 109 Cb -0.16 -2.54 1.29 0.00 0.21 0.00 0.00 66.02 64.82 1d2b s SER 109 CO 0.56 -0.91 1.24 0.00 0.41 0.00 0.00 173.24 174.53 1d2b n LEU 110 N 7.12 0.08 0.10 2.44 -0.00 -1.26 0.60 117.00 126.07 1d2b n LEU 110 Ca 0.15 0.94 -0.17 0.00 -0.00 0.00 0.00 56.01 56.92 1d2b n LEU 110 Cb 0.45 -0.46 -0.14 0.00 -0.00 0.00 0.00 43.42 43.27 1d2b n LEU 110 CO 0.59 -0.98 -0.11 0.00 -0.00 0.00 0.00 177.39 176.89 1d2b h ALA 111 N 1.01 0.09 -0.03 1.47 0.00 -2.00 -2.89 119.26 116.91 1d2b h ALA 111 Ca 0.73 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1d2b h ALA 111 Cb 2.66 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.51 1d2b h ALA 111 CO -0.18 0.96 0.00 0.94 0.00 0.00 0.00 179.25 180.97 1d2b n GLN 112 N -3.54 1.35 0.02 0.00 7.27 2.52 0.79 117.38 125.78 1d2b n GLN 112 Ca -0.11 -0.51 -0.18 0.00 0.07 0.00 0.00 57.00 56.27 1d2b n GLN 112 Cb 1.04 -1.45 -0.14 0.00 2.41 0.00 0.00 30.24 32.10 1d2b n GLN 112 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1d2b h ARG 113 N 1.18 0.23 0.01 3.69 9.65 0.67 -3.01 114.38 126.80 1d2b h ARG 113 Ca 0.00 -0.38 -0.02 0.00 -1.10 0.00 0.00 59.98 58.48 1d2b h ARG 113 Cb 0.25 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1d2b h ARG 113 CO 0.00 1.17 -0.10 0.07 2.80 0.00 0.00 179.97 183.91 1d2b h ARG 114 N -0.51 0.06 -1.15 0.20 -0.00 -1.29 -3.04 114.38 108.66 1d2b h ARG 114 Ca -0.10 -0.07 0.40 0.00 -0.00 0.00 0.00 59.98 60.21 1d2b h ARG 114 Cb 1.45 0.02 -0.15 0.00 -0.00 0.00 0.00 29.97 31.30 1d2b h ARG 114 CO 0.11 0.90 0.69 0.78 -0.00 0.00 0.00 179.97 182.45 1d2b h GLY 115 N -0.75 1.77 0.08 0.08 0.00 0.26 1.09 103.07 105.60 1d2b h GLY 115 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1d2b h GLY 115 CO 0.02 -0.53 -0.02 0.74 0.00 0.00 0.00 176.54 176.75 1d2b h PHE 116 N 0.13 -0.05 0.00 5.60 0.04 -1.58 1.76 116.94 122.83 1d2b h PHE 116 Ca 0.80 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.57 1d2b h PHE 116 Cb 2.24 0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.40 1d2b h PHE 116 CO -0.01 0.43 0.30 0.00 -0.60 0.00 0.00 178.31 178.43 1d2b h THR 117 N -0.98 0.00 0.00 -1.55 1.03 -0.49 -3.36 112.91 107.57 1d2b h THR 117 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1d2b h THR 117 Cb 0.50 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 1d2b h THR 117 CO 0.01 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 176.69 1d2b n LYS 118 N -2.55 0.00 0.01 0.00 4.81 0.34 -5.01 118.16 115.77 1d2b n LYS 118 Ca -0.02 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.53 1d2b n LYS 118 Cb 0.33 -0.22 -0.08 0.00 0.02 0.00 0.00 35.03 35.09 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1d2b n THR 119 N -2.06 0.10 0.00 3.15 -1.04 0.12 -4.67 114.28 109.88 1d2b n THR 119 Ca 0.00 -0.29 -0.03 0.00 -2.04 0.00 0.00 64.05 61.69 1d2b n THR 119 Cb 0.00 0.29 -0.11 0.00 -1.82 0.00 0.00 70.33 68.69 1d2b n THR 119 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1d2b n TYR 120 N -2.00 0.85 0.29 -1.42 4.01 0.56 -2.06 117.16 117.39 1d2b n TYR 120 Ca 0.00 0.29 0.18 0.00 -0.16 0.00 0.00 57.90 58.21 1d2b n TYR 120 Cb 0.46 -1.08 0.94 0.00 -0.31 0.00 0.00 39.34 39.35 1d2b n TYR 120 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1d2b h THR 121 N 0.00 0.00 0.00 -0.72 1.03 -1.81 1.58 112.91 112.99 1d2b h THR 121 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.17 1d2b h THR 121 Cb 1.75 0.76 0.00 0.00 -1.07 0.00 0.00 68.15 69.59 1d2b h THR 121 CO 0.05 0.00 -0.92 0.52 -0.01 0.00 0.00 175.52 175.17 1d2b n VAL 122 N -2.79 0.00 -1.80 0.00 0.31 -1.26 -4.72 118.33 108.07 1d2b n VAL 122 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.25 1d2b n VAL 122 Cb 0.15 -0.35 0.13 0.00 -0.91 0.00 0.00 33.84 32.86 1d2b n VAL 122 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1d2b n GLY 123 N 2.58 5.50 3.09 2.92 0.00 -0.87 -4.96 105.19 113.45 1d2b n GLY 123 Ca 0.00 -1.83 -0.16 0.00 0.00 0.00 0.00 46.02 44.03 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N 5.28 2.62 0.00 0.00 0.28 -1.26 -4.25 120.64 123.31 1d2b n GLU 125 Ca 0.16 -4.19 0.09 0.00 -0.16 0.00 0.00 57.16 53.07 1d2b n GLU 125 Cb 0.20 -1.97 0.08 0.00 1.43 0.00 0.00 31.44 31.18 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36