#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b n THR 2 N 0.00 3.21 -1.26 0.00 -2.24 -1.26 -4.17 114.28 108.56 1d2b n THR 2 Ca 0.00 -2.18 -0.05 0.00 -2.27 0.00 0.00 64.05 59.55 1d2b n THR 2 Cb 0.00 -2.43 0.03 0.00 -2.10 0.00 0.00 70.33 65.83 1d2b n THR 2 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s VAL 4 N -1.35 5.08 -0.42 0.00 -7.23 -1.26 -4.80 120.40 110.42 1d2b s VAL 4 Ca 0.12 -0.82 -0.44 0.00 -1.81 0.00 0.00 61.98 59.03 1d2b s VAL 4 Cb -0.00 -3.62 -0.18 0.00 0.56 0.00 0.00 36.38 33.14 1d2b s VAL 4 CO 0.08 -0.11 1.76 -2.65 -0.31 0.00 0.00 175.10 173.87 1d2b n PRO 5 N -0.54 0.45 -3.42 4.82 -0.02 -1.26 -4.92 135.00 130.11 1d2b n PRO 5 Ca -0.07 0.16 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 1d2b n PRO 5 Cb 0.54 -1.76 -0.08 0.00 -0.02 0.00 0.00 33.50 32.18 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 3.78 4.13 -0.15 0.52 0.04 -1.26 -5.00 135.00 137.06 1d2b s PRO 6 Ca 1.05 0.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 1d2b s PRO 6 Cb -1.32 -3.56 -0.09 0.00 0.04 0.00 0.00 34.50 29.57 1d2b s PRO 6 CO 0.73 -0.07 0.63 0.72 0.04 0.00 0.00 177.00 179.04 1d2b n HIS 7 N 4.61 0.62 0.30 0.56 8.25 -1.26 -4.39 115.22 123.91 1d2b n HIS 7 Ca -0.09 0.49 0.18 0.00 -0.26 0.00 0.00 57.72 58.05 1d2b n HIS 7 Cb 0.51 -0.96 0.92 0.00 1.12 0.00 0.00 29.99 31.58 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 1.92 0.00 -0.28 -0.41 0.13 -1.94 0.98 132.00 132.41 1d2b h PRO 8 Ca -0.20 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.86 1d2b h PRO 8 Cb 0.61 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.73 1d2b h PRO 8 CO 0.39 0.00 -0.11 0.37 -0.23 0.00 0.00 178.00 178.41 1d2b h GLN 9 N 0.00 0.46 0.09 0.86 -0.00 -1.86 0.98 115.11 115.64 1d2b h GLN 9 Ca 0.00 -0.12 -0.37 0.00 -0.00 0.00 0.00 58.65 58.16 1d2b h GLN 9 Cb 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 27.48 27.54 1d2b h GLN 9 CO 0.00 0.57 -2.11 2.41 0.00 0.00 0.00 178.83 179.70 1d2b n THR 10 N -4.22 1.71 -0.31 2.39 -1.04 0.88 -3.92 114.28 109.77 1d2b n THR 10 Ca 0.00 -0.64 -0.04 0.00 -2.04 0.00 0.00 64.05 61.33 1d2b n THR 10 Cb 0.31 -1.64 0.08 0.00 -1.82 0.00 0.00 70.33 67.26 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 0.08 1.09 0.23 2.41 0.00 0.11 0.11 119.26 123.29 1d2b h ALA 11 Ca -0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1d2b h ALA 11 Cb 2.00 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1d2b h ALA 11 CO 0.05 0.59 -0.11 0.35 0.00 0.00 0.00 179.25 180.12 1d2b h PHE 12 N 1.18 -0.28 0.00 0.00 3.04 0.80 -2.66 116.94 119.02 1d2b h PHE 12 Ca 0.30 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1d2b h PHE 12 Cb 0.02 0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1d2b h PHE 12 CO 0.00 -0.18 0.00 0.00 -2.02 0.00 0.00 178.31 176.12 1d2b n ASN 14 N -2.07 0.47 -4.80 0.00 4.13 0.40 -4.93 115.26 108.46 1d2b n ASN 14 Ca 0.03 0.22 -0.34 0.00 1.68 0.00 0.00 54.58 56.17 1d2b n ASN 14 Cb 0.23 0.48 -0.02 0.00 -1.54 0.00 0.00 39.78 38.93 1d2b n ASN 14 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1d2b s SER 15 N -5.75 6.17 0.00 6.41 0.15 -1.00 -4.97 113.70 114.70 1d2b s SER 15 Ca -0.07 1.89 0.19 0.00 0.70 0.00 0.00 55.95 58.66 1d2b s SER 15 Cb 0.07 -2.55 0.49 0.00 -1.71 0.00 0.00 66.02 62.33 1d2b s SER 15 CO 0.83 -0.90 1.41 0.47 1.20 0.00 0.00 173.24 176.24 1d2b n ASP 16 N -1.33 3.51 -3.38 5.45 9.92 -1.26 -4.88 116.55 124.60 1d2b n ASP 16 Ca 0.09 -1.98 0.02 0.00 -0.53 0.00 0.00 54.79 52.39 1d2b n ASP 16 Cb 0.53 -0.36 -0.04 0.00 -0.64 0.00 0.00 41.12 40.61 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 -1.09 -0.51 -0.06 0.64 1.02 0.49 -4.34 118.68 114.84 1d2b s LEU 17 Ca 0.39 0.70 0.00 0.00 0.02 0.00 0.00 54.13 55.24 1d2b s LEU 17 Cb 0.21 1.58 0.02 0.00 0.02 0.00 0.00 46.19 48.02 1d2b s LEU 17 CO 0.28 -0.10 -0.04 -0.69 0.02 0.00 0.00 176.35 175.82 1d2b s VAL 18 N 2.37 0.57 0.08 -1.59 1.01 0.13 0.27 120.40 123.24 1d2b s VAL 18 Ca -0.02 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 1d2b s VAL 18 Cb -0.05 -0.63 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1d2b s VAL 18 CO -0.17 0.26 0.51 0.27 0.00 0.00 0.00 175.10 175.97 1d2b s ILE 19 N 1.29 0.03 -0.13 2.22 -0.00 0.11 0.54 121.20 125.27 1d2b s ILE 19 Ca -0.05 -0.26 -0.13 0.00 -0.00 0.00 0.00 60.65 60.21 1d2b s ILE 19 Cb -0.14 -1.01 -0.05 0.00 -0.00 0.00 0.00 42.46 41.26 1d2b s ILE 19 CO -0.02 -0.14 0.29 0.00 -0.00 0.00 0.00 174.94 175.06 1d2b s ARG 20 N -2.88 4.12 0.27 0.37 1.70 0.36 0.84 118.95 123.73 1d2b s ARG 20 Ca -0.03 0.11 -0.20 0.00 -0.47 0.00 0.00 55.73 55.14 1d2b s ARG 20 Cb -0.00 -3.37 0.02 0.00 -0.57 0.00 0.00 34.95 31.03 1d2b s ARG 20 CO -0.05 0.36 0.69 0.00 -1.08 0.00 0.00 175.30 175.22 1d2b s ALA 21 N 0.08 -1.14 0.12 7.88 0.00 -0.50 0.28 121.76 128.49 1d2b s ALA 21 Ca 0.17 -0.34 0.05 0.00 0.00 0.00 0.00 51.96 51.84 1d2b s ALA 21 Cb -0.13 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1d2b s ALA 21 CO 0.05 -1.01 0.02 0.15 0.00 0.00 0.00 175.76 174.97 1d2b s LYS 22 N -3.92 2.58 -0.32 0.00 1.02 0.19 0.21 119.74 119.49 1d2b s LYS 22 Ca 0.12 -0.91 -0.16 0.00 0.02 0.00 0.00 55.97 55.04 1d2b s LYS 22 Cb -0.05 -2.52 -0.02 0.00 -0.52 0.00 0.00 37.83 34.72 1d2b s LYS 22 CO 0.07 0.51 0.41 -0.06 -0.92 0.00 0.00 175.35 175.35 1d2b s PHE 23 N -1.49 3.21 0.00 3.18 0.40 -1.26 0.40 117.98 122.42 1d2b s PHE 23 Ca 0.27 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 1d2b s PHE 23 Cb -0.11 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.71 1d2b s PHE 23 CO 0.19 -0.39 0.00 1.33 0.70 0.00 0.00 175.22 177.05 1d2b n VAL 24 N 5.25 0.00 -0.49 -0.44 0.24 -0.91 -4.51 118.33 117.46 1d2b n VAL 24 Ca -0.08 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.00 1d2b n VAL 24 Cb 0.50 -0.46 0.18 0.00 -1.47 0.00 0.00 33.84 32.58 1d2b n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1d2b n GLY 25 N 3.30 -2.72 3.74 7.63 0.00 -0.71 -4.90 105.19 111.53 1d2b n GLY 25 Ca 0.00 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 1d2b n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1d2b s THR 26 N -2.10 4.01 -0.14 2.61 -1.32 -1.26 -4.26 115.64 113.18 1d2b s THR 26 Ca 0.44 -1.55 -0.29 0.00 -1.21 0.00 0.00 61.69 59.08 1d2b s THR 26 Cb -0.08 -3.13 -0.05 0.00 -1.51 0.00 0.00 72.50 67.73 1d2b s THR 26 CO 0.42 -0.30 1.90 -2.16 -2.21 0.00 0.00 174.62 172.27 1d2b s PRO 27 N -3.59 3.71 0.66 7.08 0.04 -1.26 -4.36 135.00 137.28 1d2b s PRO 27 Ca 0.31 2.07 -0.10 0.00 0.04 0.00 0.00 61.00 63.32 1d2b s PRO 27 Cb -0.08 -4.17 -0.00 0.00 0.04 0.00 0.00 34.50 30.29 1d2b s PRO 27 CO 0.22 -1.43 1.04 -1.21 0.04 0.00 0.00 177.00 175.67 1d2b s GLU 28 N 5.10 3.09 -0.34 4.56 2.02 -0.10 -4.90 118.70 128.12 1d2b s GLU 28 Ca 0.85 0.47 0.02 0.00 0.02 0.00 0.00 54.97 56.33 1d2b s GLU 28 Cb -0.33 -2.08 0.15 0.00 0.10 0.00 0.00 34.13 31.97 1d2b s GLU 28 CO 0.35 -0.84 0.36 0.08 0.02 0.00 0.00 175.26 175.23 1d2b s VAL 29 N -3.24 -0.38 0.60 2.63 1.01 -1.26 -3.34 120.40 116.41 1d2b s VAL 29 Ca 0.56 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1d2b s VAL 29 Cb -0.11 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1d2b s VAL 29 CO 0.51 -0.52 1.09 0.21 0.00 0.00 0.00 175.10 176.39 1d2b s ASN 30 N 1.80 5.57 0.30 3.32 2.47 -1.26 -4.90 114.94 122.25 1d2b s ASN 30 Ca 0.14 1.96 0.24 0.00 0.42 0.00 0.00 52.86 55.61 1d2b s ASN 30 Cb -0.14 -2.55 0.33 0.00 -1.45 0.00 0.00 41.25 37.43 1d2b s ASN 30 CO -0.14 -1.31 1.45 1.56 -3.72 0.00 0.00 177.10 174.93 1d2b h GLN 31 N 0.52 0.00 -2.01 0.43 1.08 -1.99 -3.37 115.11 109.78 1d2b h GLN 31 Ca -0.48 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.22 1d2b h GLN 31 Cb 1.24 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 28.26 1d2b h GLN 31 CO 0.56 0.00 -1.03 2.41 -0.95 0.00 0.00 178.83 179.82 1d2b n THR 32 N -2.73 0.87 0.03 -0.54 -1.04 -1.26 -4.77 114.28 104.84 1d2b n THR 32 Ca 0.03 -4.78 0.00 0.00 -2.04 0.00 0.00 64.05 57.26 1d2b n THR 32 Cb 0.51 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.47 1d2b n THR 32 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1d2b n THR 33 N 0.09 0.22 0.00 12.58 5.66 -1.26 -4.99 114.28 126.59 1d2b n THR 33 Ca 0.26 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 1d2b n THR 33 Cb 0.60 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 1d2b n THR 33 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1d2b n LEU 34 N -3.01 0.00 0.00 1.09 4.77 -1.26 -4.89 117.00 113.70 1d2b n LEU 34 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 1d2b n LEU 34 Cb 0.20 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1d2b n LEU 34 CO 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 177.39 175.93 1d2b n TYR 35 N -2.00 -0.10 -3.72 -1.77 4.11 -1.26 1.00 117.16 113.42 1d2b n TYR 35 Ca 0.00 -2.40 -0.10 0.00 -0.00 0.00 0.00 57.90 55.40 1d2b n TYR 35 Cb 0.00 0.07 -0.05 0.00 -0.00 0.00 0.00 39.34 39.36 1d2b n TYR 35 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1d2b s GLN 36 N -3.35 1.12 -0.02 -3.48 -0.21 0.66 -3.99 119.66 110.39 1d2b s GLN 36 Ca 0.23 -0.83 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1d2b s GLN 36 Cb 0.01 0.45 0.02 0.00 1.00 0.00 0.00 33.01 34.49 1d2b s GLN 36 CO 0.16 -0.44 0.01 -0.98 -2.12 0.00 0.00 175.29 171.92 1d2b s ARG 37 N -3.85 0.12 0.07 2.91 1.70 -1.21 -1.17 118.95 117.52 1d2b s ARG 37 Ca 0.06 0.07 0.03 0.00 -0.47 0.00 0.00 55.73 55.42 1d2b s ARG 37 Cb 0.02 -0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.09 1d2b s ARG 37 CO -0.08 -0.09 0.06 0.71 -1.08 0.00 0.00 175.30 174.81 1d2b s TYR 38 N 0.66 3.14 -0.14 5.89 1.51 -0.59 -0.92 117.35 126.90 1d2b s TYR 38 Ca -0.06 0.06 -0.09 0.00 -1.01 0.00 0.00 57.07 55.98 1d2b s TYR 38 Cb -0.09 -1.61 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1d2b s TYR 38 CO -0.02 0.51 0.16 -1.21 -1.11 0.00 0.00 175.55 173.88 1d2b s GLU 39 N -2.26 3.74 -0.02 -0.62 8.01 -1.26 -0.27 118.70 126.02 1d2b s GLU 39 Ca 0.27 -0.12 0.01 0.00 0.01 0.00 0.00 54.97 55.14 1d2b s GLU 39 Cb -0.12 -3.27 0.01 0.00 -4.31 0.00 0.00 34.13 26.44 1d2b s GLU 39 CO 0.20 0.60 -0.02 0.96 0.01 0.00 0.00 175.26 177.01 1d2b s ILE 40 N -0.53 0.25 -1.14 -1.63 -4.36 -0.21 -1.74 121.20 111.84 1d2b s ILE 40 Ca 0.13 -0.05 -0.22 0.00 -0.26 0.00 0.00 60.65 60.26 1d2b s ILE 40 Cb -0.12 -0.27 -0.01 0.00 1.25 0.00 0.00 42.46 43.31 1d2b s ILE 40 CO 0.03 0.11 1.80 -0.75 0.24 0.00 0.00 174.94 176.37 1d2b s LYS 41 N 0.43 3.12 0.20 0.37 2.47 1.33 -4.65 119.74 123.02 1d2b s LYS 41 Ca -0.04 -1.25 -0.33 0.00 -1.56 0.00 0.00 55.97 52.79 1d2b s LYS 41 Cb -0.07 -5.32 -0.13 0.00 -1.46 0.00 0.00 37.83 30.85 1d2b s LYS 41 CO -0.01 -3.09 1.55 -0.12 0.16 0.00 0.00 175.35 173.84 1d2b n MET 42 N 8.51 2.24 -0.03 4.03 0.00 -1.26 0.53 117.12 131.14 1d2b n MET 42 Ca 0.43 0.80 -0.03 0.00 -0.00 0.00 0.00 57.70 58.91 1d2b n MET 42 Cb 0.47 -2.55 -0.01 0.00 0.00 0.00 0.00 33.22 31.13 1d2b n MET 42 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1d2b n THR 43 N 2.91 0.55 -3.73 1.12 -1.04 0.14 -4.83 114.28 109.41 1d2b n THR 43 Ca 0.14 0.37 -0.13 0.00 -2.04 0.00 0.00 64.05 62.39 1d2b n THR 43 Cb 0.31 -1.82 -0.09 0.00 -1.82 0.00 0.00 70.33 66.91 1d2b n THR 43 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1d2b s LYS 44 N -1.68 0.57 -0.07 -2.82 2.20 0.84 -4.99 119.74 113.80 1d2b s LYS 44 Ca -0.10 0.29 -0.16 0.00 -0.36 0.00 0.00 55.97 55.64 1d2b s LYS 44 Cb 0.01 0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 36.55 1d2b s LYS 44 CO 0.15 -0.11 0.41 -1.64 -0.36 0.00 0.00 175.35 173.80 1d2b s MET 45 N -0.38 4.12 -0.09 4.03 -1.94 -1.26 0.13 119.30 123.91 1d2b s MET 45 Ca -0.05 0.38 0.13 0.00 -1.71 0.00 0.00 55.69 54.43 1d2b s MET 45 Cb -0.03 -3.33 0.31 0.00 2.01 0.00 0.00 34.83 33.79 1d2b s MET 45 CO 0.02 0.43 1.22 0.66 -0.01 0.00 0.00 175.02 177.35 1d2b n TYR 46 N 2.75 0.38 0.00 -0.03 4.02 0.19 -4.92 117.16 119.55 1d2b n TYR 46 Ca -0.11 -0.77 0.00 0.00 -0.01 0.00 0.00 57.90 57.01 1d2b n TYR 46 Cb 0.52 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.68 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 -0.59 0.00 0.00 -0.72 4.81 -0.14 -4.78 118.16 116.74 1d2b n LYS 47 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 1d2b n LYS 47 Cb 0.60 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.65 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d2b n GLY 48 N 0.00 -0.11 0.25 3.14 0.00 -1.26 -0.69 105.19 106.51 1d2b n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.32 -0.87 1.61 -1.00 -1.92 0.50 116.94 114.93 1d2b h PHE 49 Ca 0.00 0.06 0.14 0.00 2.81 0.00 0.00 57.97 60.98 1d2b h PHE 49 Cb 0.00 0.25 -0.07 0.00 3.61 0.00 0.00 35.95 39.74 1d2b h PHE 49 CO 0.00 -0.28 0.56 -0.56 -1.61 0.00 0.00 178.31 176.43 1d2b h GLN 50 N 0.01 0.63 0.25 1.51 -0.00 -1.97 -0.45 115.11 115.09 1d2b h GLN 50 Ca 0.32 -0.04 -0.01 0.00 -0.00 0.00 0.00 58.65 58.93 1d2b h GLN 50 Cb 0.50 -0.14 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 1d2b h GLN 50 CO -0.68 0.41 -0.12 0.00 -0.00 0.00 0.00 178.83 178.45 1d2b h ALA 51 N 1.61 -0.34 -3.00 0.06 0.00 -0.48 -3.48 119.26 113.63 1d2b h ALA 51 Ca 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1d2b h ALA 51 Cb 0.75 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1d2b h ALA 51 CO -0.19 -0.50 0.00 1.47 0.00 0.00 0.00 179.25 180.03 1d2b n LEU 52 N -5.08 0.00 -0.11 0.00 -0.00 0.09 -5.07 117.00 106.83 1d2b n LEU 52 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1d2b n LEU 52 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.67 1d2b n LEU 52 CO 0.30 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 1d2b n GLY 53 N 0.00 0.94 0.00 1.47 0.00 -1.26 -4.39 105.19 101.95 1d2b n GLY 53 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 1.22 0.00 0.00 1.61 8.00 -1.26 -4.94 116.55 121.18 1d2b n ASP 54 Ca 0.00 0.34 0.00 0.00 0.71 0.00 0.00 54.79 55.84 1d2b n ASP 54 Cb 0.33 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d2b n ALA 55 N -0.56 1.78 -3.87 2.24 0.00 -1.26 -5.00 120.51 113.83 1d2b n ALA 55 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1d2b n ALA 55 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.75 3.59 -1.09 0.00 0.00 -1.26 -4.88 121.76 116.36 1d2b s ALA 56 Ca 0.00 -3.67 0.15 0.00 0.00 0.00 0.00 51.96 48.43 1d2b s ALA 56 Cb 0.00 -2.13 0.44 0.00 0.00 0.00 0.00 23.12 21.43 1d2b s ALA 56 CO 0.00 -2.08 1.37 -0.40 0.00 0.00 0.00 175.76 174.65 1d2b n ASP 57 N 2.18 3.42 -3.04 0.00 5.68 -1.26 -4.79 116.55 118.75 1d2b n ASP 57 Ca 0.18 -2.14 -0.12 0.00 -0.50 0.00 0.00 54.79 52.21 1d2b n ASP 57 Cb 0.35 -0.35 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1d2b s ILE 58 N -1.26 -0.54 -0.32 2.12 1.09 -1.26 -4.91 121.20 116.11 1d2b s ILE 58 Ca 0.33 -1.42 0.15 0.00 -1.10 0.00 0.00 60.65 58.61 1d2b s ILE 58 Cb 0.19 -0.43 -0.20 0.00 -1.06 0.00 0.00 42.46 40.96 1d2b s ILE 58 CO 0.20 -0.42 0.46 0.54 -0.10 0.00 0.00 174.94 175.61 1d2b n ARG 59 N 3.14 1.27 -3.78 2.79 3.00 -1.26 -4.40 116.66 117.42 1d2b n ARG 59 Ca 0.20 -0.07 -0.13 0.00 -0.01 0.00 0.00 57.85 57.84 1d2b n ARG 59 Cb 0.53 -1.27 -0.09 0.00 0.00 0.00 0.00 32.46 31.62 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1d2b s PHE 60 N -2.72 -0.18 -0.17 -1.55 0.40 -1.26 -1.04 117.98 111.45 1d2b s PHE 60 Ca -0.00 0.34 -0.02 0.00 -0.60 0.00 0.00 56.93 56.65 1d2b s PHE 60 Cb 0.10 0.08 -0.01 0.00 0.51 0.00 0.00 43.02 43.70 1d2b s PHE 60 CO 0.61 -0.32 -0.09 0.14 0.70 0.00 0.00 175.22 176.26 1d2b s VAL 61 N -0.96 3.17 -0.36 -0.44 -7.23 0.62 -3.53 120.40 111.67 1d2b s VAL 61 Ca -0.10 -0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 59.40 1d2b s VAL 61 Cb -0.05 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.56 1d2b s VAL 61 CO 0.03 0.48 0.16 -0.31 -0.31 0.00 0.00 175.10 175.15 1d2b s TYR 62 N 0.87 3.27 0.11 2.82 1.51 0.26 -1.53 117.35 124.67 1d2b s TYR 62 Ca -0.03 -1.36 0.06 0.00 -1.01 0.00 0.00 57.07 54.74 1d2b s TYR 62 Cb -0.15 -2.45 -0.04 0.00 -0.11 0.00 0.00 41.96 39.21 1d2b s TYR 62 CO 0.00 -0.74 -0.03 -0.08 -1.11 0.00 0.00 175.55 173.60 1d2b s THR 63 N 1.44 3.75 0.44 -0.71 -1.32 -0.32 -3.02 115.64 115.90 1d2b s THR 63 Ca 0.00 -1.18 -0.25 0.00 -1.21 0.00 0.00 61.69 59.05 1d2b s THR 63 Cb -0.20 -2.80 -0.08 0.00 -1.51 0.00 0.00 72.50 67.91 1d2b s THR 63 CO 0.03 0.06 1.32 -2.84 -2.21 0.00 0.00 174.62 170.99 1d2b s PRO 64 N -2.43 3.78 -1.01 7.08 0.02 -1.26 0.24 135.00 141.42 1d2b s PRO 64 Ca 0.25 2.18 -0.05 0.00 0.02 0.00 0.00 61.00 63.40 1d2b s PRO 64 Cb -0.11 -2.63 0.26 0.00 0.02 0.00 0.00 34.50 32.04 1d2b s PRO 64 CO 0.17 -0.66 1.03 0.00 -0.33 0.00 0.00 177.00 177.21 1d2b n ALA 65 N -0.15 4.20 -3.50 -1.55 0.00 6.73 -4.30 120.51 121.94 1d2b n ALA 65 Ca 0.05 -4.67 -0.24 0.00 0.00 0.00 0.00 53.44 48.58 1d2b n ALA 65 Cb 0.44 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.68 1d2b n ALA 65 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1d2b s MET 66 N -1.61 0.23 0.00 0.00 -1.94 -1.26 -4.38 119.30 110.34 1d2b s MET 66 Ca 0.30 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 53.94 1d2b s MET 66 Cb -0.05 -1.03 0.00 0.00 2.01 0.00 0.00 34.83 35.76 1d2b s MET 66 CO -0.07 -0.99 0.00 0.39 -0.01 0.00 0.00 175.02 174.34 1d2b n GLU 67 N 5.27 0.00 -2.51 2.03 -0.58 -1.26 0.89 120.64 124.49 1d2b n GLU 67 Ca -0.05 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.36 1d2b n GLU 67 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 1d2b n GLU 67 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1d2b n SER 68 N 0.34 5.91 -4.57 1.62 2.88 -1.26 -5.03 113.62 113.51 1d2b n SER 68 Ca 0.00 -3.73 -0.24 0.00 -1.33 0.00 0.00 58.87 53.56 1d2b n SER 68 Cb 0.00 -0.79 0.13 0.00 -0.75 0.00 0.00 64.21 62.80 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1d2b s VAL 69 N -4.89 2.05 -1.20 2.46 0.11 0.26 -4.65 120.40 114.54 1d2b s VAL 69 Ca 0.47 -0.54 -0.05 0.00 -2.93 0.00 0.00 61.98 58.94 1d2b s VAL 69 Cb 0.33 -2.52 0.21 0.00 -1.53 0.00 0.00 36.38 32.87 1d2b s VAL 69 CO -0.22 0.00 2.00 0.00 -3.33 0.00 0.00 175.10 173.56 1d2b n GLY 71 N 1.42 0.52 2.81 0.00 0.00 -1.26 -3.21 105.19 105.48 1d2b n GLY 71 Ca 0.48 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 -1.05 -0.79 1.61 5.04 -1.26 -2.87 117.35 118.03 1d2b s TYR 72 Ca 0.00 -0.19 -0.25 0.00 -2.44 0.00 0.00 57.07 54.19 1d2b s TYR 72 Cb 0.00 0.20 -0.06 0.00 0.35 0.00 0.00 41.96 42.46 1d2b s TYR 72 CO 0.00 -0.79 2.03 -0.06 -1.34 0.00 0.00 175.55 175.39 1d2b s PHE 73 N 1.24 1.63 -0.50 4.97 0.40 -1.26 -4.89 117.98 119.57 1d2b s PHE 73 Ca 0.23 0.93 -0.18 0.00 -0.60 0.00 0.00 56.93 57.32 1d2b s PHE 73 Cb 0.04 -3.93 0.07 0.00 0.51 0.00 0.00 43.02 39.70 1d2b s PHE 73 CO -0.09 -1.90 0.54 -1.58 0.70 0.00 0.00 175.22 172.90 1d2b s HIS 74 N 10.70 3.13 -0.19 0.36 5.65 -1.26 -4.87 115.29 128.80 1d2b s HIS 74 Ca 0.74 -0.75 0.13 0.00 0.25 0.00 0.00 55.06 55.43 1d2b s HIS 74 Cb -0.10 -3.45 0.43 0.00 -1.18 0.00 0.00 32.58 28.28 1d2b s HIS 74 CO 0.07 -0.96 1.20 2.89 -0.65 0.00 0.00 174.74 177.29 1d2b n ARG 75 N 5.78 1.69 -2.37 2.88 0.00 -1.26 -4.78 116.66 118.60 1d2b n ARG 75 Ca -0.09 -3.26 -0.23 0.00 -0.00 0.00 0.00 57.85 54.26 1d2b n ARG 75 Cb 0.44 -1.49 0.01 0.00 -0.00 0.00 0.00 32.46 31.42 1d2b n ARG 75 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 1d2b n SER 76 N -0.81 4.32 -4.52 2.89 7.64 -1.26 -5.00 113.62 116.88 1d2b n SER 76 Ca 0.21 -3.55 -0.21 0.00 1.01 0.00 0.00 58.87 56.33 1d2b n SER 76 Cb 0.80 -0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 63.48 1d2b n SER 76 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1d2b n HIS 77 N -0.52 1.60 -0.71 1.43 -0.00 -1.26 -4.84 115.22 110.92 1d2b n HIS 77 Ca 0.36 -0.72 0.00 0.00 0.46 0.00 0.00 57.72 57.83 1d2b n HIS 77 Cb 0.78 -2.54 0.00 0.00 -0.12 0.00 0.00 29.99 28.11 1d2b n HIS 77 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1d2b n ASN 78 N 17.25 0.00 0.00 0.26 2.85 -1.26 -5.09 115.26 129.27 1d2b n ASN 78 Ca 0.43 -0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.83 1d2b n ASN 78 Cb 0.46 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.48 1d2b n ASN 78 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1d2b n ARG 79 N -0.06 0.00 0.00 1.20 5.12 -1.26 -4.87 116.66 116.79 1d2b n ARG 79 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 1d2b n ARG 79 Cb 0.00 0.00 0.55 0.00 -1.16 0.00 0.00 32.46 31.85 1d2b n ARG 79 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1d2b n SER 80 N -0.08 0.13 -4.62 0.55 7.64 -1.26 -4.74 113.62 111.24 1d2b n SER 80 Ca 0.00 0.24 -0.43 0.00 1.01 0.00 0.00 58.87 59.70 1d2b n SER 80 Cb 0.00 -0.31 -0.03 0.00 -1.01 0.00 0.00 64.21 62.86 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 -2.94 3.52 0.22 1.43 2.56 -1.26 -4.97 118.70 117.26 1d2b s GLU 81 Ca 0.15 2.20 -0.30 0.00 0.00 0.00 0.00 54.97 57.02 1d2b s GLU 81 Cb 0.19 -4.28 -0.09 0.00 2.00 0.00 0.00 34.13 31.95 1d2b s GLU 81 CO 0.56 -1.66 1.25 -1.21 -0.56 0.00 0.00 175.26 173.64 1d2b s GLU 82 N 5.58 4.45 0.49 4.30 8.01 -1.26 -4.22 118.70 136.05 1d2b s GLU 82 Ca 0.94 1.98 0.04 0.00 0.01 0.00 0.00 54.97 57.95 1d2b s GLU 82 Cb -0.36 -3.20 -0.01 0.00 -4.31 0.00 0.00 34.13 26.26 1d2b s GLU 82 CO 0.37 -0.14 0.15 -0.06 0.01 0.00 0.00 175.26 175.59 1d2b s PHE 83 N -0.22 2.00 -0.14 1.61 0.40 0.55 -2.67 117.98 119.51 1d2b s PHE 83 Ca 0.53 -0.82 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1d2b s PHE 83 Cb -0.35 -1.78 0.01 0.00 0.51 0.00 0.00 43.02 41.41 1d2b s PHE 83 CO 0.40 0.04 -0.22 -1.17 0.70 0.00 0.00 175.22 174.97 1d2b s LEU 84 N -3.98 2.13 -0.26 -0.37 1.98 0.17 -1.41 118.68 116.94 1d2b s LEU 84 Ca 0.23 -0.60 -0.00 0.00 -2.89 0.00 0.00 54.13 50.87 1d2b s LEU 84 Cb 0.02 -1.45 0.07 0.00 0.66 0.00 0.00 46.19 45.49 1d2b s LEU 84 CO 0.13 0.08 0.02 -0.63 -1.89 0.00 0.00 176.35 174.06 1d2b s ILE 85 N 0.84 1.20 -0.26 6.68 -1.09 0.25 -2.10 121.20 126.71 1d2b s ILE 85 Ca -0.06 -1.23 -0.15 0.00 -2.23 0.00 0.00 60.65 56.98 1d2b s ILE 85 Cb -0.15 -1.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.01 1d2b s ILE 85 CO -0.02 -0.33 0.36 0.00 -1.23 0.00 0.00 174.94 173.71 1d2b s ALA 86 N 1.51 3.56 -0.28 9.38 0.00 -0.58 0.09 121.76 135.44 1d2b s ALA 86 Ca 0.01 -0.81 -0.30 0.00 0.00 0.00 0.00 51.96 50.86 1d2b s ALA 86 Cb -0.18 -2.68 0.19 0.00 0.00 0.00 0.00 23.12 20.45 1d2b s ALA 86 CO -0.12 -0.61 1.35 0.20 0.00 0.00 0.00 175.76 176.58 1d2b s GLY 87 N 1.59 0.05 0.71 0.00 0.00 0.77 -4.44 107.32 105.99 1d2b s GLY 87 Ca 0.15 2.72 -0.08 0.00 0.00 0.00 0.00 44.72 47.50 1d2b s GLY 87 CO 0.10 1.06 1.04 1.25 0.00 0.00 0.00 173.10 176.55 1d2b s LYS 88 N -1.13 2.37 -0.15 2.90 2.20 -1.25 0.19 119.74 124.87 1d2b s LYS 88 Ca 0.09 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1d2b s LYS 88 Cb -0.01 -2.12 -0.00 0.00 -1.51 0.00 0.00 37.83 34.19 1d2b s LYS 88 CO -0.07 -1.19 -0.15 -0.51 -0.36 0.00 0.00 175.35 173.07 1d2b s LEU 89 N -5.29 2.52 -0.37 5.43 1.43 -1.26 -1.81 118.68 119.33 1d2b s LEU 89 Ca 0.59 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1d2b s LEU 89 Cb -0.11 -1.57 -0.00 0.00 0.03 0.00 0.00 46.19 44.54 1d2b s LEU 89 CO 0.47 0.10 0.35 -1.10 0.23 0.00 0.00 176.35 176.40 1d2b s GLN 90 N 0.72 3.37 0.00 1.70 -1.52 0.45 -4.53 119.66 119.86 1d2b s GLN 90 Ca -0.07 -0.60 0.00 0.00 -1.95 0.00 0.00 55.36 52.74 1d2b s GLN 90 Cb -0.16 -3.86 0.00 0.00 -0.22 0.00 0.00 33.01 28.77 1d2b s GLN 90 CO 0.01 -0.62 0.00 -0.25 -0.25 0.00 0.00 175.29 174.19 1d2b n ASP 91 N 5.36 -0.66 0.00 5.90 8.00 -1.26 0.92 116.55 134.81 1d2b n ASP 91 Ca -0.09 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1d2b n ASP 91 Cb 0.49 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 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 -0.33 3.36 3.74 0.44 0.00 -1.26 -5.09 105.19 106.05 1d2b n GLY 92 Ca 0.00 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 4.46 0.60 0.99 2.01 0.26 -4.91 118.68 122.10 1d2b s LEU 93 Ca 0.00 2.18 -0.15 0.00 0.01 0.00 0.00 54.13 56.17 1d2b s LEU 93 Cb 0.00 -3.61 -0.03 0.00 0.01 0.00 0.00 46.19 42.56 1d2b s LEU 93 CO 0.00 -0.32 1.06 -0.22 1.01 0.00 0.00 176.35 177.88 1d2b s LEU 94 N -0.26 3.47 -0.01 1.79 2.96 -1.23 0.17 118.68 125.57 1d2b s LEU 94 Ca 0.52 1.82 0.02 0.00 -0.22 0.00 0.00 54.13 56.26 1d2b s LEU 94 Cb -0.31 -4.53 -0.00 0.00 0.50 0.00 0.00 46.19 41.84 1d2b s LEU 94 CO 0.36 -1.21 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.12 1d2b s HIS 95 N -2.47 0.59 0.04 5.38 3.76 -0.75 0.91 115.29 122.75 1d2b s HIS 95 Ca 0.63 -0.12 -0.04 0.00 -0.15 0.00 0.00 55.06 55.39 1d2b s HIS 95 Cb -0.16 -0.41 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 1d2b s HIS 95 CO 0.38 -0.04 0.05 0.96 -0.85 0.00 0.00 174.74 175.24 1d2b s ILE 96 N 0.03 0.16 -0.01 0.60 -0.00 -1.17 -3.77 121.20 117.03 1d2b s ILE 96 Ca 0.00 -1.31 -0.11 0.00 -0.00 0.00 0.00 60.65 59.23 1d2b s ILE 96 Cb -0.04 -1.05 0.01 0.00 -0.00 0.00 0.00 42.46 41.38 1d2b s ILE 96 CO -0.00 -0.72 0.22 0.42 -0.00 0.00 0.00 174.94 174.86 1d2b s THR 97 N -2.99 0.06 -2.00 8.37 -4.23 -1.17 -4.45 115.64 109.23 1d2b s THR 97 Ca -0.02 -0.54 0.10 0.00 -1.18 0.00 0.00 61.69 60.06 1d2b s THR 97 Cb 0.01 -0.50 0.28 0.00 1.34 0.00 0.00 72.50 73.63 1d2b s THR 97 CO -0.06 -0.30 1.03 1.07 -0.54 0.00 0.00 174.62 175.82 1d2b n THR 98 N 1.50 0.00 -1.13 3.99 5.66 -1.14 -0.72 114.28 122.45 1d2b n THR 98 Ca -0.21 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 60.86 1d2b n THR 98 Cb 0.56 -0.82 0.20 0.00 -1.55 0.00 0.00 70.33 68.72 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 -2.49 3.90 -0.50 0.00 0.15 0.10 -4.65 113.70 110.21 1d2b s SER 100 Ca 0.38 -0.76 -0.27 0.00 0.70 0.00 0.00 55.95 55.99 1d2b s SER 100 Cb 0.33 -0.51 -0.02 0.00 -1.71 0.00 0.00 66.02 64.11 1d2b s SER 100 CO 0.04 0.09 1.80 0.12 1.20 0.00 0.00 173.24 176.49 1d2b s PHE 101 N -1.91 1.77 -0.26 3.44 2.19 -1.26 -4.85 117.98 117.10 1d2b s PHE 101 Ca 0.25 0.73 -0.02 0.00 0.33 0.00 0.00 56.93 58.22 1d2b s PHE 101 Cb -0.08 -4.12 0.12 0.00 -1.31 0.00 0.00 43.02 37.64 1d2b s PHE 101 CO 0.14 -2.50 0.29 0.08 1.83 0.00 0.00 175.22 175.06 1d2b s VAL 102 N 8.04 -0.43 0.27 3.12 1.01 -1.26 -1.53 120.40 129.63 1d2b s VAL 102 Ca 0.71 -0.29 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 1d2b s VAL 102 Cb -0.16 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.37 1d2b s VAL 102 CO 0.26 -0.32 0.61 0.00 0.00 0.00 0.00 175.10 175.65 1d2b s ALA 103 N 2.39 -0.68 0.09 5.51 0.00 -0.89 -5.01 121.76 123.17 1d2b s ALA 103 Ca 0.09 -0.63 -0.32 0.00 0.00 0.00 0.00 51.96 51.10 1d2b s ALA 103 Cb -0.15 0.95 -0.12 0.00 0.00 0.00 0.00 23.12 23.81 1d2b s ALA 103 CO -0.23 -0.95 1.80 -2.30 0.00 0.00 0.00 175.76 174.08 1d2b n PRO 104 N -0.43 2.55 -0.05 0.00 -0.02 -1.26 0.45 135.00 136.25 1d2b n PRO 104 Ca -0.03 0.93 -0.09 0.00 -2.02 0.00 0.00 63.50 62.29 1d2b n PRO 104 Cb 0.60 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 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 8.15 -0.85 0.00 6.00 -0.00 -1.67 0.22 115.95 127.79 1d2b h TRP 105 Ca -0.46 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.47 1d2b h TRP 105 Cb 1.24 0.41 0.00 0.00 -0.00 0.00 0.00 29.16 30.81 1d2b h TRP 105 CO 0.77 -0.38 0.64 -0.91 -0.00 0.00 0.00 178.44 178.57 1d2b h ASN 106 N -0.32 0.00 -0.13 2.65 4.21 -1.91 1.51 115.58 121.58 1d2b h ASN 106 Ca 0.13 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.64 1d2b h ASN 106 Cb 0.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.73 1d2b h ASN 106 CO -0.42 0.00 0.00 -1.20 -1.29 0.00 0.00 177.43 174.52 1d2b n SER 107 N -2.44 2.51 -4.88 5.81 7.64 0.76 -4.94 113.62 118.07 1d2b n SER 107 Ca -0.01 -1.83 -0.31 0.00 1.01 0.00 0.00 58.87 57.74 1d2b n SER 107 Cb 0.66 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1d2b s LEU 108 N -1.81 4.06 -0.16 -3.43 1.02 0.52 -5.04 118.68 113.84 1d2b s LEU 108 Ca 0.34 0.94 -0.29 0.00 0.02 0.00 0.00 54.13 55.13 1d2b s LEU 108 Cb 0.20 -3.74 -0.02 0.00 0.02 0.00 0.00 46.19 42.65 1d2b s LEU 108 CO 0.31 -0.19 1.37 -0.44 0.02 0.00 0.00 176.35 177.41 1d2b s SER 109 N -2.76 6.83 0.33 2.29 0.01 -1.26 -4.71 113.70 114.43 1d2b s SER 109 Ca 0.48 1.75 0.28 0.00 1.31 0.00 0.00 55.95 59.77 1d2b s SER 109 Cb -0.11 -2.54 1.07 0.00 0.21 0.00 0.00 66.02 64.65 1d2b s SER 109 CO 0.25 -0.86 1.02 0.00 0.41 0.00 0.00 173.24 174.07 1d2b n LEU 110 N 6.92 0.06 0.10 2.44 -0.00 -1.26 0.55 117.00 125.81 1d2b n LEU 110 Ca 0.15 0.76 -0.23 0.00 -0.00 0.00 0.00 56.01 56.69 1d2b n LEU 110 Cb 0.45 -0.38 -0.15 0.00 -0.00 0.00 0.00 43.42 43.34 1d2b n LEU 110 CO 0.58 -0.80 -0.39 0.00 -0.00 0.00 0.00 177.39 176.79 1d2b h ALA 111 N 0.82 0.05 -0.03 1.47 0.00 -1.98 -1.64 119.26 117.95 1d2b h ALA 111 Ca 0.60 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1d2b h ALA 111 Cb 2.21 0.32 0.00 0.00 0.00 0.00 0.00 17.79 20.32 1d2b h ALA 111 CO -0.14 0.92 0.00 0.94 0.00 0.00 0.00 179.25 180.97 1d2b n GLN 112 N -3.62 1.45 -0.10 0.00 7.27 2.19 0.12 117.38 124.69 1d2b n GLN 112 Ca -0.20 -0.66 -0.20 0.00 0.07 0.00 0.00 57.00 56.01 1d2b n GLN 112 Cb 1.08 -1.47 -0.12 0.00 2.41 0.00 0.00 30.24 32.15 1d2b n GLN 112 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1d2b h ARG 113 N 1.55 0.00 -0.32 3.69 3.08 1.06 -3.06 114.38 120.38 1d2b h ARG 113 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1d2b h ARG 113 Cb 0.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1d2b h ARG 113 CO 0.00 1.00 0.16 0.07 -1.07 0.00 0.00 179.97 180.13 1d2b h ARG 114 N -1.00 0.45 -0.92 0.04 -0.00 -0.96 -1.98 114.38 110.01 1d2b h ARG 114 Ca -0.27 -0.06 0.27 0.00 -0.00 0.00 0.00 59.98 59.91 1d2b h ARG 114 Cb 1.24 -0.08 -0.16 0.00 -0.00 0.00 0.00 29.97 30.97 1d2b h ARG 114 CO -0.16 0.41 0.24 0.78 -0.00 0.00 0.00 179.97 181.23 1d2b h GLY 115 N 0.39 1.47 2.00 0.08 0.00 0.75 2.04 103.07 109.80 1d2b h GLY 115 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1d2b h GLY 115 CO -0.02 -0.46 0.00 0.74 0.00 0.00 0.00 176.54 176.81 1d2b h PHE 116 N 0.14 0.00 0.00 5.60 -1.00 -1.30 2.22 116.94 122.61 1d2b h PHE 116 Ca 0.60 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.38 1d2b h PHE 116 Cb 1.29 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.85 1d2b h PHE 116 CO -0.28 0.00 -0.69 0.00 -1.61 0.00 0.00 178.31 175.73 1d2b h THR 117 N 0.00 0.00 0.00 -1.55 1.03 0.33 -3.44 112.91 109.29 1d2b h THR 117 Ca 0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 66.41 65.41 1d2b h THR 117 Cb 0.84 1.64 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 1d2b h THR 117 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 176.68 1d2b n LYS 118 N -2.79 0.00 0.02 0.00 4.81 0.43 -5.02 118.16 115.61 1d2b n LYS 118 Ca 0.01 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.54 1d2b n LYS 118 Cb 0.54 -0.36 -0.12 0.00 0.02 0.00 0.00 35.03 35.12 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 -1.75 0.33 -0.59 3.15 -1.04 0.44 -4.56 114.28 110.26 1d2b n THR 119 Ca 0.00 -0.55 0.07 0.00 -2.04 0.00 0.00 64.05 61.53 1d2b n THR 119 Cb 0.00 -0.16 0.35 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 -2.44 1.72 -0.05 -1.42 4.01 0.65 -1.93 117.16 117.69 1d2b n TYR 120 Ca -0.05 -0.61 0.01 0.00 -0.16 0.00 0.00 57.90 57.09 1d2b n TYR 120 Cb 0.62 -0.40 -0.15 0.00 -0.31 0.00 0.00 39.34 39.09 1d2b n TYR 120 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1d2b n THR 121 N 0.67 0.60 0.00 -0.72 5.66 -1.26 -3.51 114.28 115.70 1d2b n THR 121 Ca 0.24 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1d2b n THR 121 Cb 1.02 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.58 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1d2b n VAL 122 N -2.43 0.00 -2.06 1.08 0.31 -1.26 -4.73 118.33 109.25 1d2b n VAL 122 Ca -0.16 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.08 1d2b n VAL 122 Cb 0.80 -0.29 0.08 0.00 -0.91 0.00 0.00 33.84 33.51 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 2.66 4.90 3.27 2.92 0.00 -0.81 -4.97 105.19 113.15 1d2b n GLY 123 Ca 0.00 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.88 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 6.50 1.59 0.00 0.00 0.28 -1.26 -4.00 120.64 123.76 1d2b n GLU 125 Ca 0.27 -4.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.19 1d2b n GLU 125 Cb 0.26 -1.96 0.00 0.00 1.43 0.00 0.00 31.44 31.18 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12