#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 4.43 -3.52 0.00 5.66 -1.21 -0.13 114.28 119.51 1d2b n THR 2 Ca 0.00 -4.89 0.00 0.00 -3.05 0.00 0.00 64.05 56.11 1d2b n THR 2 Cb 0.00 -2.43 0.00 0.00 -1.55 0.00 0.00 70.33 66.35 1d2b n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s VAL 4 N -0.07 4.80 -0.50 0.00 -7.23 -1.26 -4.60 120.40 111.54 1d2b s VAL 4 Ca 0.00 -0.80 -0.44 0.00 -1.81 0.00 0.00 61.98 58.92 1d2b s VAL 4 Cb 0.00 -3.71 -0.19 0.00 0.56 0.00 0.00 36.38 33.04 1d2b s VAL 4 CO 0.00 -0.35 2.04 -2.65 -0.31 0.00 0.00 175.10 173.84 1d2b n PRO 5 N -1.63 0.00 -3.35 4.82 -0.02 -1.26 -4.88 135.00 128.67 1d2b n PRO 5 Ca -0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.05 1d2b n PRO 5 Cb 0.57 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 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 5.47 4.17 -0.12 0.52 0.04 -1.26 -5.00 135.00 138.83 1d2b s PRO 6 Ca 1.17 0.25 -0.20 0.00 0.04 0.00 0.00 61.00 62.26 1d2b s PRO 6 Cb -1.50 -3.55 -0.09 0.00 0.04 0.00 0.00 34.50 29.41 1d2b s PRO 6 CO 0.68 -0.08 0.62 0.72 0.04 0.00 0.00 177.00 178.99 1d2b n HIS 7 N 4.59 0.56 0.23 0.56 8.25 -1.26 -4.34 115.22 123.81 1d2b n HIS 7 Ca -0.07 0.51 0.13 0.00 -0.26 0.00 0.00 57.72 58.03 1d2b n HIS 7 Cb 0.51 -1.00 0.68 0.00 1.12 0.00 0.00 29.99 31.31 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 1.86 0.00 -0.40 -0.41 0.13 -1.94 0.92 132.00 132.16 1d2b h PRO 8 Ca -0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.81 1d2b h PRO 8 Cb 0.64 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1d2b h PRO 8 CO 0.38 0.00 -0.15 0.37 -0.23 0.00 0.00 178.00 178.36 1d2b h GLN 9 N 0.00 0.75 0.06 0.86 4.15 -1.85 0.67 115.11 119.75 1d2b h GLN 9 Ca 0.00 -0.26 -0.32 0.00 0.77 0.00 0.00 58.65 58.83 1d2b h GLN 9 Cb 0.07 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1d2b h GLN 9 CO 0.00 0.86 -1.79 2.41 -1.93 0.00 0.00 178.83 178.38 1d2b n THR 10 N -4.15 1.66 -0.35 2.39 -1.04 0.68 -3.30 114.28 110.17 1d2b n THR 10 Ca 0.01 -0.40 0.05 0.00 -2.04 0.00 0.00 64.05 61.67 1d2b n THR 10 Cb 0.39 -1.84 0.20 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 -0.21 1.42 -0.00 2.41 0.00 0.75 0.47 119.26 124.09 1d2b h ALA 11 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1d2b h ALA 11 Cb 1.73 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1d2b h ALA 11 CO -0.07 0.29 0.00 0.34 0.00 0.00 0.00 179.25 179.81 1d2b n PHE 12 N -4.59 0.00 0.33 0.00 -0.00 0.23 -2.47 117.46 110.96 1d2b n PHE 12 Ca 0.17 0.00 0.21 0.00 -0.00 0.00 0.00 57.45 57.83 1d2b n PHE 12 Cb 0.28 -0.50 1.14 0.00 -0.00 0.00 0.00 39.48 40.40 1d2b n PHE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1d2b n ASN 14 N -3.29 1.47 -4.77 0.00 3.02 0.16 -4.91 115.26 106.94 1d2b n ASN 14 Ca -0.03 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.24 1d2b n ASN 14 Cb 0.08 -0.26 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 1d2b n ASN 14 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1d2b s SER 15 N -6.44 6.61 -0.02 6.41 0.01 -1.03 -4.91 113.70 114.33 1d2b s SER 15 Ca -0.20 2.81 0.21 0.00 1.31 0.00 0.00 55.95 60.08 1d2b s SER 15 Cb 0.07 -2.65 0.64 0.00 0.21 0.00 0.00 66.02 64.29 1d2b s SER 15 CO 0.75 -0.67 1.53 0.47 0.41 0.00 0.00 173.24 175.73 1d2b n ASP 16 N 0.86 3.93 -3.45 2.44 9.92 0.16 -4.78 116.55 125.63 1d2b n ASP 16 Ca 0.01 -2.08 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 1d2b n ASP 16 Cb 0.41 -0.49 -0.03 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.14 -1.18 -0.08 0.64 1.43 0.51 -4.29 118.68 114.56 1d2b s LEU 17 Ca 0.48 1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 54.78 1d2b s LEU 17 Cb 0.26 2.14 0.03 0.00 0.03 0.00 0.00 46.19 48.66 1d2b s LEU 17 CO 0.31 -0.24 0.02 -0.69 0.23 0.00 0.00 176.35 175.98 1d2b s VAL 18 N 2.85 0.25 0.12 -1.59 1.01 -0.90 0.36 120.40 122.50 1d2b s VAL 18 Ca 0.05 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 1d2b s VAL 18 Cb -0.13 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.80 1d2b s VAL 18 CO -0.19 0.16 0.50 0.27 0.00 0.00 0.00 175.10 175.84 1d2b s ILE 19 N 2.02 0.04 -0.18 2.22 -4.36 0.11 0.31 121.20 121.34 1d2b s ILE 19 Ca 0.04 -0.30 -0.10 0.00 -0.26 0.00 0.00 60.65 60.03 1d2b s ILE 19 Cb -0.13 -1.07 -0.05 0.00 1.25 0.00 0.00 42.46 42.47 1d2b s ILE 19 CO -0.05 -0.17 0.15 0.00 0.24 0.00 0.00 174.94 175.11 1d2b s ARG 20 N -3.48 4.09 0.35 0.37 1.70 0.24 0.11 118.95 122.32 1d2b s ARG 20 Ca 0.00 -0.17 -0.03 0.00 -0.47 0.00 0.00 55.73 55.06 1d2b s ARG 20 Cb 0.00 -3.39 0.00 0.00 -0.57 0.00 0.00 34.95 31.00 1d2b s ARG 20 CO -0.10 0.37 0.48 0.00 -1.08 0.00 0.00 175.30 174.97 1d2b s ALA 21 N 0.16 0.75 0.03 7.88 0.00 -0.77 -0.64 121.76 129.16 1d2b s ALA 21 Ca 0.10 -1.51 0.06 0.00 0.00 0.00 0.00 51.96 50.61 1d2b s ALA 21 Cb -0.11 1.14 -0.02 0.00 0.00 0.00 0.00 23.12 24.13 1d2b s ALA 21 CO -0.00 -0.80 -0.17 0.15 0.00 0.00 0.00 175.76 174.94 1d2b s LYS 22 N -3.02 1.19 -0.28 0.00 1.02 0.35 0.23 119.74 119.23 1d2b s LYS 22 Ca 0.30 -0.80 -0.17 0.00 0.02 0.00 0.00 55.97 55.33 1d2b s LYS 22 Cb -0.01 -1.23 -0.03 0.00 -0.52 0.00 0.00 37.83 36.04 1d2b s LYS 22 CO 0.20 0.32 0.46 -0.06 -0.92 0.00 0.00 175.35 175.35 1d2b s PHE 23 N -0.74 3.24 -0.28 3.18 0.40 -1.26 0.57 117.98 123.09 1d2b s PHE 23 Ca 0.05 0.47 0.17 0.00 -0.60 0.00 0.00 56.93 57.02 1d2b s PHE 23 Cb -0.08 -2.70 0.49 0.00 0.51 0.00 0.00 43.02 41.24 1d2b s PHE 23 CO 0.01 -0.30 1.12 1.33 0.70 0.00 0.00 175.22 178.08 1d2b n VAL 24 N 5.19 1.69 -3.64 -0.44 0.24 -0.77 -4.32 118.33 116.29 1d2b n VAL 24 Ca -0.06 -3.42 -0.04 0.00 -2.04 0.00 0.00 64.34 58.78 1d2b n VAL 24 Cb 0.50 0.39 -0.01 0.00 -1.47 0.00 0.00 33.84 33.24 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 -3.69 -0.34 0.03 7.63 0.00 -0.87 -4.73 107.32 105.36 1d2b s GLY 25 Ca 0.35 0.64 0.00 0.00 0.00 0.00 0.00 44.72 45.72 1d2b s GLY 25 CO -0.01 0.18 0.12 -1.08 0.00 0.00 0.00 173.10 172.31 1d2b s THR 26 N -3.02 4.93 -0.18 0.90 -1.32 -1.26 -4.21 115.64 111.48 1d2b s THR 26 Ca 0.10 -0.46 -0.29 0.00 -1.21 0.00 0.00 61.69 59.83 1d2b s THR 26 Cb -0.00 -3.33 -0.04 0.00 -1.51 0.00 0.00 72.50 67.62 1d2b s THR 26 CO -0.03 0.24 1.79 -2.16 -2.21 0.00 0.00 174.62 172.26 1d2b s PRO 27 N -2.11 3.72 0.79 7.08 0.04 -1.24 -4.48 135.00 138.80 1d2b s PRO 27 Ca 0.28 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 1d2b s PRO 27 Cb -0.12 -4.12 0.07 0.00 0.04 0.00 0.00 34.50 30.36 1d2b s PRO 27 CO 0.20 -1.40 1.09 -1.21 0.04 0.00 0.00 177.00 175.71 1d2b s GLU 28 N 4.97 2.13 -0.35 4.56 2.02 0.94 -4.81 118.70 128.15 1d2b s GLU 28 Ca 0.80 0.97 0.02 0.00 0.02 0.00 0.00 54.97 56.78 1d2b s GLU 28 Cb -0.29 -1.90 0.15 0.00 0.10 0.00 0.00 34.13 32.19 1d2b s GLU 28 CO 0.33 -1.68 0.35 0.08 0.02 0.00 0.00 175.26 174.36 1d2b s VAL 29 N -2.98 -0.33 0.54 2.63 1.01 -1.26 -3.15 120.40 116.86 1d2b s VAL 29 Ca 0.61 -0.90 -0.18 0.00 0.00 0.00 0.00 61.98 61.50 1d2b s VAL 29 Cb -0.16 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 1d2b s VAL 29 CO 0.56 -0.58 1.06 0.21 0.00 0.00 0.00 175.10 176.36 1d2b s ASN 30 N 1.64 5.98 0.00 3.32 2.47 -1.26 -4.90 114.94 122.19 1d2b s ASN 30 Ca 0.15 1.94 0.29 0.00 0.42 0.00 0.00 52.86 55.66 1d2b s ASN 30 Cb -0.15 -2.55 1.24 0.00 -1.45 0.00 0.00 41.25 38.33 1d2b s ASN 30 CO -0.10 -1.03 1.93 0.00 -3.72 0.00 0.00 177.10 174.17 1d2b n GLN 31 N -1.47 0.02 -2.62 0.43 1.13 -1.26 -3.88 117.38 109.73 1d2b n GLN 31 Ca 0.10 -0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1d2b n GLN 31 Cb 0.52 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.42 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 -1.49 0.99 -0.10 5.09 -1.04 -1.26 -4.83 114.28 111.63 1d2b n THR 32 Ca 0.07 -2.48 -0.22 0.00 -2.04 0.00 0.00 64.05 59.38 1d2b n THR 32 Cb 0.34 1.24 -0.08 0.00 -1.82 0.00 0.00 70.33 70.01 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 -0.51 1.15 -0.03 12.58 5.66 -1.25 -4.97 114.28 126.91 1d2b n THR 33 Ca 0.05 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1d2b n THR 33 Cb 0.85 -1.77 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 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 -3.92 0.00 -4.08 1.09 4.77 -1.26 -4.89 117.00 108.70 1d2b n LEU 34 Ca -0.41 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.47 1d2b n LEU 34 Cb 0.79 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.80 1d2b n LEU 34 CO 0.03 0.00 -0.14 -0.72 -1.33 0.00 0.00 177.39 175.22 1d2b s TYR 35 N -2.49 0.71 0.13 -1.77 1.13 -1.26 0.87 117.35 114.66 1d2b s TYR 35 Ca 0.00 -1.05 0.01 0.00 -1.41 0.00 0.00 57.07 54.62 1d2b s TYR 35 Cb 0.00 -0.28 -0.00 0.00 -1.10 0.00 0.00 41.96 40.57 1d2b s TYR 35 CO 0.00 -0.66 0.02 1.04 -2.51 0.00 0.00 175.55 173.45 1d2b n GLN 36 N -0.20 1.17 -3.73 -3.49 6.02 0.37 -4.16 117.38 113.37 1d2b n GLN 36 Ca -0.04 -0.99 -0.14 0.00 -0.01 0.00 0.00 57.00 55.82 1d2b n GLN 36 Cb 0.64 0.43 -0.14 0.00 1.02 0.00 0.00 30.24 32.18 1d2b n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1d2b s ARG 37 N -2.47 0.12 0.02 -1.09 0.52 -1.19 -3.03 118.95 111.83 1d2b s ARG 37 Ca 0.03 0.46 0.05 0.00 -0.52 0.00 0.00 55.73 55.76 1d2b s ARG 37 Cb 0.00 -0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.27 1d2b s ARG 37 CO 0.02 -0.19 -0.14 0.71 0.02 0.00 0.00 175.30 175.72 1d2b s TYR 38 N 1.43 2.68 -0.12 -0.53 2.02 -0.74 -0.04 117.35 122.06 1d2b s TYR 38 Ca -0.07 -0.17 -0.04 0.00 -0.37 0.00 0.00 57.07 56.41 1d2b s TYR 38 Cb -0.11 -1.53 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 1d2b s TYR 38 CO -0.07 0.29 0.05 -2.00 -1.57 0.00 0.00 175.55 172.25 1d2b s GLU 39 N -1.38 3.33 -0.02 -0.62 2.12 -1.26 -1.72 118.70 119.16 1d2b s GLU 39 Ca 0.15 -0.33 -0.01 0.00 0.36 0.00 0.00 54.97 55.14 1d2b s GLU 39 Cb -0.11 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.31 1d2b s GLU 39 CO 0.06 0.61 0.04 0.96 -0.54 0.00 0.00 175.26 176.39 1d2b s ILE 40 N -0.60 -0.02 -1.15 -3.70 -4.36 -0.74 -1.84 121.20 108.79 1d2b s ILE 40 Ca 0.11 0.06 -0.22 0.00 -0.26 0.00 0.00 60.65 60.34 1d2b s ILE 40 Cb -0.12 -0.08 -0.01 0.00 1.25 0.00 0.00 42.46 43.50 1d2b s ILE 40 CO 0.02 0.02 1.80 -0.75 0.24 0.00 0.00 174.94 176.28 1d2b s LYS 41 N 0.34 3.15 0.14 0.37 2.36 2.31 -4.75 119.74 123.65 1d2b s LYS 41 Ca -0.03 -1.28 -0.35 0.00 -2.55 0.00 0.00 55.97 51.76 1d2b s LYS 41 Cb -0.04 -5.33 -0.16 0.00 -1.05 0.00 0.00 37.83 31.26 1d2b s LYS 41 CO -0.01 -3.07 1.33 -0.12 1.55 0.00 0.00 175.35 175.03 1d2b n MET 42 N 8.50 1.39 -0.04 4.03 0.00 -1.26 -0.50 117.12 129.25 1d2b n MET 42 Ca 0.44 0.50 -0.04 0.00 -0.00 0.00 0.00 57.70 58.60 1d2b n MET 42 Cb 0.47 -2.12 -0.01 0.00 0.00 0.00 0.00 33.22 31.56 1d2b n MET 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1d2b n THR 43 N 2.32 0.72 -3.76 1.12 -2.24 0.19 -4.82 114.28 107.81 1d2b n THR 43 Ca 0.17 0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 62.15 1d2b n THR 43 Cb 0.23 -1.92 -0.09 0.00 -2.10 0.00 0.00 70.33 66.45 1d2b n THR 43 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1d2b s LYS 44 N -1.85 0.56 0.01 -0.78 1.02 -0.53 -5.02 119.74 113.15 1d2b s LYS 44 Ca -0.12 0.05 -0.13 0.00 0.02 0.00 0.00 55.97 55.79 1d2b s LYS 44 Cb 0.02 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.53 1d2b s LYS 44 CO 0.18 -0.13 0.38 -1.64 -0.92 0.00 0.00 175.35 173.23 1d2b s MET 45 N -0.77 3.83 -0.03 1.68 -1.94 -1.26 -0.59 119.30 120.21 1d2b s MET 45 Ca -0.09 0.30 0.05 0.00 -1.71 0.00 0.00 55.69 54.24 1d2b s MET 45 Cb -0.04 -3.16 0.07 0.00 2.01 0.00 0.00 34.83 33.72 1d2b s MET 45 CO 0.03 0.66 1.02 0.66 -0.01 0.00 0.00 175.02 177.38 1d2b n TYR 46 N 1.58 0.00 0.00 -0.03 4.02 0.15 -4.90 117.16 117.97 1d2b n TYR 46 Ca -0.13 -0.60 0.00 0.00 -0.01 0.00 0.00 57.90 57.16 1d2b n TYR 46 Cb 0.53 -0.07 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 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 -0.71 0.00 0.00 -0.72 4.81 -0.08 -4.80 118.16 116.66 1d2b n LYS 47 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1d2b n LYS 47 Cb 0.37 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.42 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 0.00 0.07 3.14 0.00 -1.26 -2.12 105.19 105.02 1d2b n GLY 48 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1d2b n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2b n PHE 49 N 0.00 0.03 -0.06 1.61 3.72 -1.26 -0.64 117.46 120.85 1d2b n PHE 49 Ca 0.00 -0.01 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 1d2b n PHE 49 Cb 0.00 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.53 1d2b n PHE 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1d2b n GLN 50 N -0.62 0.39 -0.16 -1.08 -0.00 -1.26 -3.97 117.38 110.67 1d2b n GLN 50 Ca 0.13 0.49 -0.03 0.00 -0.00 0.00 0.00 57.00 57.58 1d2b n GLN 50 Cb 0.09 -1.56 0.03 0.00 -0.00 0.00 0.00 30.24 28.80 1d2b n GLN 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1d2b h ALA 51 N -1.14 0.23 -3.00 2.61 0.00 -1.86 -3.44 119.26 112.66 1d2b h ALA 51 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1d2b h ALA 51 Cb 0.43 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1d2b h ALA 51 CO 0.00 -0.50 0.00 1.47 0.00 0.00 0.00 179.25 180.22 1d2b n LEU 52 N -5.40 0.00 0.00 0.00 -0.00 0.18 -5.11 117.00 106.67 1d2b n LEU 52 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.06 1d2b n LEU 52 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1d2b n LEU 52 CO 0.08 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.08 1d2b n GLY 53 N 2.49 1.20 3.53 1.47 0.00 -1.21 -4.68 105.19 107.99 1d2b n GLY 53 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1d2b n GLY 53 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1d2b s ASP 54 N 0.00 6.17 0.49 1.61 -1.08 -1.26 -4.70 116.67 117.89 1d2b s ASP 54 Ca 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 1d2b s ASP 54 Cb 0.00 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.93 1d2b s ASP 54 CO 0.00 -1.76 0.84 0.00 0.52 0.00 0.00 175.17 174.77 1d2b n ALA 55 N 9.06 0.00 -1.28 3.66 0.00 -1.26 0.87 120.51 131.55 1d2b n ALA 55 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 1d2b n ALA 55 Cb 0.48 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.12 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b n ALA 56 N -1.33 5.33 -0.66 0.00 0.00 -1.26 -4.41 120.51 118.17 1d2b n ALA 56 Ca 0.00 -2.96 0.05 0.00 0.00 0.00 0.00 53.44 50.53 1d2b n ALA 56 Cb 0.84 -1.29 0.35 0.00 0.00 0.00 0.00 19.45 19.35 1d2b n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1d2b n ASP 57 N -1.14 5.09 -3.29 0.00 -0.08 0.25 -4.69 116.55 112.70 1d2b n ASP 57 Ca 0.54 -2.83 -0.20 0.00 -1.51 0.00 0.00 54.79 50.79 1d2b n ASP 57 Cb 1.54 -0.67 -0.08 0.00 2.34 0.00 0.00 41.12 44.25 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1d2b s ILE 58 N -2.55 -0.15 -0.48 5.18 1.01 -1.26 -4.94 121.20 118.00 1d2b s ILE 58 Ca 0.48 -1.66 0.05 0.00 0.00 0.00 0.00 60.65 59.51 1d2b s ILE 58 Cb 0.37 -0.81 0.08 0.00 0.01 0.00 0.00 42.46 42.11 1d2b s ILE 58 CO 0.14 -0.77 0.88 0.54 0.00 0.00 0.00 174.94 175.73 1d2b n ARG 59 N 3.51 1.35 -3.80 2.79 1.74 -1.26 -4.79 116.66 116.19 1d2b n ARG 59 Ca 0.19 -1.27 -0.12 0.00 -0.77 0.00 0.00 57.85 55.88 1d2b n ARG 59 Cb 0.47 -1.10 -0.10 0.00 -1.02 0.00 0.00 32.46 30.71 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1d2b s PHE 60 N -0.70 -0.15 -0.20 -1.55 0.40 -1.26 -1.80 117.98 112.72 1d2b s PHE 60 Ca 0.08 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.70 1d2b s PHE 60 Cb 0.04 0.05 0.02 0.00 0.51 0.00 0.00 43.02 43.65 1d2b s PHE 60 CO 0.06 -0.27 -0.16 0.14 0.70 0.00 0.00 175.22 175.70 1d2b s VAL 61 N -0.83 2.32 -0.38 -0.44 -7.23 -0.70 -3.77 120.40 109.36 1d2b s VAL 61 Ca -0.09 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.95 1d2b s VAL 61 Cb -0.05 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.85 1d2b s VAL 61 CO 0.02 0.42 0.35 -0.31 -0.31 0.00 0.00 175.10 175.28 1d2b s TYR 62 N 1.29 3.21 -0.10 2.82 1.51 0.22 -1.79 117.35 124.51 1d2b s TYR 62 Ca 0.03 -0.30 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1d2b s TYR 62 Cb -0.14 -2.69 -0.00 0.00 -0.11 0.00 0.00 41.96 39.01 1d2b s TYR 62 CO -0.10 -0.55 -0.23 -0.08 -1.11 0.00 0.00 175.55 173.49 1d2b s THR 63 N 1.93 2.20 0.30 -0.71 -1.32 -1.17 -3.22 115.64 113.66 1d2b s THR 63 Ca 0.09 -0.98 -0.28 0.00 -1.21 0.00 0.00 61.69 59.32 1d2b s THR 63 Cb -0.17 -1.84 -0.14 0.00 -1.51 0.00 0.00 72.50 68.83 1d2b s THR 63 CO 0.12 0.56 1.02 -2.65 -2.21 0.00 0.00 174.62 171.45 1d2b n PRO 64 N 3.43 1.39 -2.29 7.08 -0.02 -1.25 0.14 135.00 143.47 1d2b n PRO 64 Ca -0.19 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.43 1d2b n PRO 64 Cb 0.53 -1.88 0.02 0.00 -0.02 0.00 0.00 33.50 32.15 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 0.17 5.85 -2.54 3.55 0.00 5.06 -3.19 120.51 129.42 1d2b n ALA 65 Ca 0.09 -4.31 -0.25 0.00 0.00 0.00 0.00 53.44 48.98 1d2b n ALA 65 Cb 0.33 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.21 1d2b n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b s MET 66 N -3.90 1.82 0.24 0.00 0.00 -1.19 -4.45 119.30 111.81 1d2b s MET 66 Ca 0.49 -2.04 -0.30 0.00 0.00 0.00 0.00 55.69 53.84 1d2b s MET 66 Cb 0.38 -1.18 -0.09 0.00 0.00 0.00 0.00 34.83 33.94 1d2b s MET 66 CO -0.28 -0.17 0.98 -1.21 0.00 0.00 0.00 175.02 174.34 1d2b s GLU 67 N -3.81 4.79 0.00 3.16 8.01 -1.26 -3.36 118.70 126.23 1d2b s GLU 67 Ca 0.33 1.57 0.00 0.00 0.01 0.00 0.00 54.97 56.88 1d2b s GLU 67 Cb 0.08 -3.27 0.00 0.00 -4.31 0.00 0.00 34.13 26.64 1d2b s GLU 67 CO 0.16 0.41 0.00 -1.13 0.01 0.00 0.00 175.26 174.71 1d2b n SER 68 N 1.56 -1.04 -1.84 -0.19 3.41 -1.26 -4.96 113.62 109.30 1d2b n SER 68 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1d2b n SER 68 Cb 0.47 -1.64 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1d2b n VAL 69 N -2.09 0.00 -0.02 -3.33 3.14 -1.21 -2.84 118.33 111.98 1d2b n VAL 69 Ca 0.00 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.36 1d2b n VAL 69 Cb 0.06 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.84 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 -1.25 3.55 0.00 0.00 -1.19 -4.56 105.19 103.40 1d2b n GLY 71 Ca -0.02 1.06 -0.33 0.00 0.00 0.00 0.00 46.02 46.73 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 -2.67 1.73 -0.37 1.61 5.04 -1.26 -4.84 117.35 116.58 1d2b s TYR 72 Ca 0.19 0.72 -0.29 0.00 -2.44 0.00 0.00 57.07 55.25 1d2b s TYR 72 Cb -0.05 -4.07 -0.00 0.00 0.35 0.00 0.00 41.96 38.19 1d2b s TYR 72 CO 0.77 -2.04 1.59 -0.06 -1.34 0.00 0.00 175.55 174.47 1d2b s PHE 73 N 9.57 2.12 -0.11 4.97 0.40 -1.26 -4.98 117.98 128.69 1d2b s PHE 73 Ca 0.69 0.64 0.03 0.00 -0.60 0.00 0.00 56.93 57.69 1d2b s PHE 73 Cb -0.10 -4.23 -0.00 0.00 0.51 0.00 0.00 43.02 39.20 1d2b s PHE 73 CO 0.11 -2.45 -0.20 -1.58 0.70 0.00 0.00 175.22 171.80 1d2b s HIS 74 N 6.09 2.65 0.00 0.36 5.65 -1.26 -4.95 115.29 123.83 1d2b s HIS 74 Ca 0.70 -0.96 0.00 0.00 0.25 0.00 0.00 55.06 55.05 1d2b s HIS 74 Cb -0.18 -1.76 0.00 0.00 -1.18 0.00 0.00 32.58 29.46 1d2b s HIS 74 CO 0.33 -0.38 0.83 2.89 -0.65 0.00 0.00 174.74 177.76 1d2b n ARG 75 N 3.59 0.00 -2.21 2.88 1.85 -1.26 -4.96 116.66 116.54 1d2b n ARG 75 Ca -0.19 -0.77 -0.42 0.00 -1.00 0.00 0.00 57.85 55.46 1d2b n ARG 75 Cb 0.53 -0.43 0.00 0.00 -1.05 0.00 0.00 32.46 31.51 1d2b n ARG 75 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1d2b n SER 76 N 0.00 4.74 0.00 2.89 7.64 -1.26 -4.78 113.62 122.85 1d2b n SER 76 Ca 0.00 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.86 1d2b n SER 76 Cb 0.64 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 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 4.81 0.00 -1.94 1.43 1.44 -1.26 -4.69 115.22 115.01 1d2b n HIS 77 Ca 0.43 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.72 1d2b n HIS 77 Cb 0.38 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.46 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 -1.81 5.76 0.32 4.39 3.84 -1.26 -4.84 114.94 121.33 1d2b s ASN 78 Ca 0.00 1.30 0.25 0.00 0.21 0.00 0.00 52.86 54.63 1d2b s ASN 78 Cb 0.00 -2.52 0.68 0.00 -0.55 0.00 0.00 41.25 38.86 1d2b s ASN 78 CO 0.00 -1.82 1.72 -0.09 -2.79 0.00 0.00 177.10 174.13 1d2b h ARG 79 N 13.47 0.00 -0.21 0.43 2.43 -1.84 -3.19 114.38 125.47 1d2b h ARG 79 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1d2b h ARG 79 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1d2b h ARG 79 CO 1.04 0.00 0.00 0.45 -1.51 0.00 0.00 179.97 179.95 1d2b n SER 80 N -2.61 2.48 -4.61 -3.80 2.88 -1.26 -4.80 113.62 101.90 1d2b n SER 80 Ca 0.04 -1.81 -0.40 0.00 -1.33 0.00 0.00 58.87 55.38 1d2b n SER 80 Cb 0.45 -0.14 -0.08 0.00 -0.75 0.00 0.00 64.21 63.69 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1d2b s GLU 81 N -0.93 4.00 1.05 -1.46 2.56 -1.21 -5.06 118.70 117.65 1d2b s GLU 81 Ca 0.17 0.13 -0.12 0.00 0.00 0.00 0.00 54.97 55.15 1d2b s GLU 81 Cb 0.10 -3.67 0.22 0.00 2.00 0.00 0.00 34.13 32.78 1d2b s GLU 81 CO 0.13 -0.34 1.07 -1.21 -0.56 0.00 0.00 175.26 174.35 1d2b s GLU 82 N 2.19 -0.00 0.29 4.30 2.02 -1.26 -4.47 118.70 121.76 1d2b s GLU 82 Ca 0.18 0.65 -0.10 0.00 0.02 0.00 0.00 54.97 55.71 1d2b s GLU 82 Cb -0.16 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.40 1d2b s GLU 82 CO 0.10 -3.06 0.52 -0.06 0.02 0.00 0.00 175.26 172.78 1d2b s PHE 83 N -2.79 0.52 -0.12 1.61 0.40 0.62 -4.20 117.98 114.01 1d2b s PHE 83 Ca 0.66 -0.89 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1d2b s PHE 83 Cb -0.21 0.20 0.01 0.00 0.51 0.00 0.00 43.02 43.53 1d2b s PHE 83 CO 0.60 -1.11 -0.19 -1.17 0.70 0.00 0.00 175.22 174.06 1d2b s LEU 84 N -3.08 1.91 -0.28 -0.37 1.98 0.26 -1.86 118.68 117.24 1d2b s LEU 84 Ca 0.24 -0.52 0.01 0.00 -2.89 0.00 0.00 54.13 50.97 1d2b s LEU 84 Cb -0.01 -1.27 0.08 0.00 0.66 0.00 0.00 46.19 45.65 1d2b s LEU 84 CO 0.12 0.05 0.01 -0.63 -1.89 0.00 0.00 176.35 174.01 1d2b s ILE 85 N 0.91 1.57 -0.36 6.68 1.01 0.30 -2.00 121.20 129.31 1d2b s ILE 85 Ca -0.07 -1.55 -0.17 0.00 0.00 0.00 0.00 60.65 58.86 1d2b s ILE 85 Cb -0.15 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.32 1d2b s ILE 85 CO -0.02 -0.36 0.46 0.00 0.00 0.00 0.00 174.94 175.02 1d2b s ALA 86 N 1.32 3.47 0.00 9.38 0.00 0.24 0.05 121.76 136.21 1d2b s ALA 86 Ca 0.02 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.81 1d2b s ALA 86 Cb -0.19 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1d2b s ALA 86 CO -0.11 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 174.80 1d2b n GLY 87 N 4.91 3.68 3.27 0.00 0.00 1.11 -4.12 105.19 114.05 1d2b n GLY 87 Ca -0.06 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.61 1.41 0.01 1.61 2.20 -1.25 0.19 119.74 122.31 1d2b s LYS 88 Ca 0.00 -1.70 0.01 0.00 -0.36 0.00 0.00 55.97 53.92 1d2b s LYS 88 Cb 0.00 0.31 -0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1d2b s LYS 88 CO 0.00 -0.50 0.05 -0.51 -0.36 0.00 0.00 175.35 174.03 1d2b s LEU 89 N -3.20 3.74 -0.23 5.43 1.43 -1.26 -2.54 118.68 122.05 1d2b s LEU 89 Ca 0.37 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1d2b s LEU 89 Cb 0.05 -2.22 0.06 0.00 0.03 0.00 0.00 46.19 44.11 1d2b s LEU 89 CO 0.16 0.26 -0.01 -1.10 0.23 0.00 0.00 176.35 175.88 1d2b s GLN 90 N -1.80 1.25 -0.85 1.70 -1.52 0.90 -4.81 119.66 114.52 1d2b s GLN 90 Ca 0.23 -0.81 -0.05 0.00 -1.95 0.00 0.00 55.36 52.78 1d2b s GLN 90 Cb -0.12 -2.41 0.04 0.00 -0.22 0.00 0.00 33.01 30.30 1d2b s GLN 90 CO 0.14 -0.63 0.19 -0.25 -0.25 0.00 0.00 175.29 174.48 1d2b n ASP 91 N 4.80 -2.75 0.00 5.90 8.00 -1.26 -1.32 116.55 129.92 1d2b n ASP 91 Ca -0.10 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1d2b n ASP 91 Cb 0.45 -2.37 0.00 0.00 -0.02 0.00 0.00 41.12 39.18 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 -0.83 0.75 3.36 0.44 0.00 -1.26 -5.11 105.19 102.54 1d2b n GLY 92 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 2.44 0.62 0.99 2.01 -0.44 -5.08 118.68 119.23 1d2b s LEU 93 Ca 0.00 -0.87 -0.14 0.00 0.01 0.00 0.00 54.13 53.13 1d2b s LEU 93 Cb 0.00 -0.93 -0.02 0.00 0.01 0.00 0.00 46.19 45.25 1d2b s LEU 93 CO 0.00 0.01 1.05 -0.22 1.01 0.00 0.00 176.35 178.20 1d2b s LEU 94 N -2.71 3.37 0.01 1.79 2.96 -1.25 -0.07 118.68 122.79 1d2b s LEU 94 Ca 0.18 1.72 -0.10 0.00 -0.22 0.00 0.00 54.13 55.71 1d2b s LEU 94 Cb -0.06 -4.52 0.01 0.00 0.50 0.00 0.00 46.19 42.12 1d2b s LEU 94 CO 0.08 -1.22 0.20 -1.00 -1.32 0.00 0.00 176.35 173.08 1d2b s HIS 95 N -2.68 -0.01 0.03 5.38 3.76 -1.05 0.69 115.29 121.41 1d2b s HIS 95 Ca 0.61 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 55.47 1d2b s HIS 95 Cb -0.15 -0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.52 1d2b s HIS 95 CO 0.43 -0.36 -0.11 0.96 -0.85 0.00 0.00 174.74 174.80 1d2b s ILE 96 N -1.79 0.88 -0.00 0.60 -5.25 -1.20 -3.78 121.20 110.66 1d2b s ILE 96 Ca -0.11 -0.88 0.01 0.00 -0.99 0.00 0.00 60.65 58.68 1d2b s ILE 96 Cb -0.05 -0.82 -0.00 0.00 2.95 0.00 0.00 42.46 44.54 1d2b s ILE 96 CO 0.00 -0.05 -0.04 0.42 -1.79 0.00 0.00 174.94 173.49 1d2b s THR 97 N -0.82 0.32 -1.10 8.37 -4.23 -1.26 -4.55 115.64 112.36 1d2b s THR 97 Ca -0.01 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 1d2b s THR 97 Cb -0.07 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.49 1d2b s THR 97 CO 0.01 0.09 0.90 1.07 -0.54 0.00 0.00 174.62 176.15 1d2b n THR 98 N 2.99 1.61 -1.34 3.99 5.66 -1.22 0.46 114.28 126.42 1d2b n THR 98 Ca -0.13 0.42 -0.05 0.00 -3.05 0.00 0.00 64.05 61.24 1d2b n THR 98 Cb 0.59 -1.42 0.21 0.00 -1.55 0.00 0.00 70.33 68.15 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 -2.24 2.95 -0.41 0.00 0.15 0.17 -4.70 113.70 109.62 1d2b s SER 100 Ca 0.46 -0.96 -0.28 0.00 0.70 0.00 0.00 55.95 55.87 1d2b s SER 100 Cb 0.41 -0.20 -0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1d2b s SER 100 CO 0.03 -0.05 1.57 0.12 1.20 0.00 0.00 173.24 176.11 1d2b s PHE 101 N -2.46 2.14 -0.26 3.44 5.36 -1.26 -4.80 117.98 120.14 1d2b s PHE 101 Ca 0.22 0.64 -0.01 0.00 -0.96 0.00 0.00 56.93 56.82 1d2b s PHE 101 Cb -0.04 -4.25 0.14 0.00 -0.34 0.00 0.00 43.02 38.53 1d2b s PHE 101 CO 0.09 -2.34 0.34 0.08 -1.46 0.00 0.00 175.22 171.94 1d2b s VAL 102 N 6.23 -0.52 0.30 3.12 1.01 -1.26 -0.59 120.40 128.68 1d2b s VAL 102 Ca 0.67 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 1d2b s VAL 102 Cb -0.16 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.37 1d2b s VAL 102 CO 0.32 -0.27 0.79 0.00 0.00 0.00 0.00 175.10 175.94 1d2b s ALA 103 N 2.47 -1.10 -0.09 5.51 0.00 -0.85 -5.01 121.76 122.70 1d2b s ALA 103 Ca 0.10 -0.45 -0.34 0.00 0.00 0.00 0.00 51.96 51.28 1d2b s ALA 103 Cb -0.14 0.75 -0.12 0.00 0.00 0.00 0.00 23.12 23.62 1d2b s ALA 103 CO -0.24 -1.02 1.90 -2.30 0.00 0.00 0.00 175.76 174.10 1d2b n PRO 104 N -0.51 2.20 -0.24 0.00 -0.02 -1.26 0.90 135.00 136.08 1d2b n PRO 104 Ca -0.06 0.80 0.01 0.00 -2.02 0.00 0.00 63.50 62.23 1d2b n PRO 104 Cb 0.60 -2.67 0.08 0.00 -0.02 0.00 0.00 33.50 31.48 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 9.40 -0.36 -1.12 6.00 2.91 -1.73 0.98 115.95 132.02 1d2b h TRP 105 Ca -0.48 0.06 0.33 0.00 1.13 0.00 0.00 58.89 59.92 1d2b h TRP 105 Cb 1.27 0.27 -0.04 0.00 -0.51 0.00 0.00 29.16 30.14 1d2b h TRP 105 CO 0.89 -0.30 1.11 -0.91 -1.03 0.00 0.00 178.44 178.20 1d2b h ASN 106 N 0.00 0.00 0.02 2.65 2.35 -1.88 1.99 115.58 120.70 1d2b h ASN 106 Ca 0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.08 1d2b h ASN 106 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 1d2b h ASN 106 CO -0.71 0.00 -0.02 -0.24 -1.65 0.00 0.00 177.43 174.81 1d2b n SER 107 N -3.51 1.27 -4.80 5.81 2.88 0.34 -4.92 113.62 110.70 1d2b n SER 107 Ca 0.25 -1.37 -0.32 0.00 -1.33 0.00 0.00 58.87 56.09 1d2b n SER 107 Cb 1.46 0.01 0.02 0.00 -0.75 0.00 0.00 64.21 64.95 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 -2.05 3.43 0.67 2.46 2.01 0.67 -5.03 118.68 120.85 1d2b s LEU 108 Ca 0.38 1.81 -0.14 0.00 0.01 0.00 0.00 54.13 56.19 1d2b s LEU 108 Cb 0.21 -4.53 0.01 0.00 0.01 0.00 0.00 46.19 41.89 1d2b s LEU 108 CO 0.36 -1.26 1.10 -0.44 1.01 0.00 0.00 176.35 177.12 1d2b s SER 109 N -2.90 5.05 0.39 2.29 0.01 -1.26 -4.76 113.70 112.52 1d2b s SER 109 Ca 0.63 1.96 0.13 0.00 1.31 0.00 0.00 55.95 59.98 1d2b s SER 109 Cb -0.16 -2.54 0.79 0.00 0.21 0.00 0.00 66.02 64.31 1d2b s SER 109 CO 0.40 -1.67 1.87 0.17 0.41 0.00 0.00 173.24 174.41 1d2b h LEU 110 N -0.14 0.00 0.10 2.44 -0.00 -1.97 1.86 115.31 117.60 1d2b h LEU 110 Ca -0.46 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.12 1d2b h LEU 110 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.89 1d2b h LEU 110 CO 0.54 0.33 -1.55 0.00 -0.00 0.00 0.00 178.44 177.76 1d2b h ALA 111 N 1.67 0.34 -0.03 0.17 0.00 -1.99 -2.99 119.26 116.44 1d2b h ALA 111 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 1d2b h ALA 111 Cb 0.58 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1d2b h ALA 111 CO 0.04 1.21 0.00 0.94 0.00 0.00 0.00 179.25 181.44 1d2b n GLN 112 N -3.40 1.45 0.06 0.00 7.27 -0.85 0.54 117.38 122.45 1d2b n GLN 112 Ca -0.16 -0.66 -0.21 0.00 0.07 0.00 0.00 57.00 56.03 1d2b n GLN 112 Cb 1.04 -1.47 -0.15 0.00 2.41 0.00 0.00 30.24 32.07 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 1.56 0.35 0.01 3.69 9.65 0.29 -3.14 114.38 126.79 1d2b h ARG 113 Ca 0.00 -0.60 -0.00 0.00 -1.10 0.00 0.00 59.98 58.28 1d2b h ARG 113 Cb 0.33 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1d2b h ARG 113 CO 0.00 1.26 -0.00 0.07 2.80 0.00 0.00 179.97 184.09 1d2b h ARG 114 N 0.10 -0.01 -1.00 0.20 -0.00 -1.28 -3.25 114.38 109.13 1d2b h ARG 114 Ca -0.34 0.00 0.30 0.00 -0.00 0.00 0.00 59.98 59.95 1d2b h ARG 114 Cb 2.08 0.00 -0.14 0.00 -0.00 0.00 0.00 29.97 31.91 1d2b h ARG 114 CO 0.16 0.68 0.55 0.78 -0.00 0.00 0.00 179.97 182.14 1d2b h GLY 115 N -0.98 2.01 2.00 0.08 0.00 -0.07 1.98 103.07 108.09 1d2b h GLY 115 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1d2b h GLY 115 CO 0.00 -0.45 0.00 0.74 0.00 0.00 0.00 176.54 176.84 1d2b h PHE 116 N 0.36 0.00 0.00 5.60 -1.00 -1.66 3.10 116.94 123.34 1d2b h PHE 116 Ca 0.71 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 61.45 1d2b h PHE 116 Cb 1.57 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.12 1d2b h PHE 116 CO -0.02 0.00 -1.17 -2.37 -1.61 0.00 0.00 178.31 173.14 1d2b n THR 117 N -2.82 0.72 0.00 -1.55 5.66 0.62 -4.67 114.28 112.24 1d2b n THR 117 Ca 0.03 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.45 1d2b n THR 117 Cb 0.38 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 68.75 1d2b n THR 117 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1d2b n LYS 118 N -2.70 0.00 -0.01 1.09 2.85 0.15 -5.00 118.16 114.55 1d2b n LYS 118 Ca -0.03 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.33 1d2b n LYS 118 Cb 0.62 -0.50 -0.13 0.00 -0.65 0.00 0.00 35.03 34.37 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1d2b n THR 119 N -1.11 0.00 0.34 0.58 -1.04 0.64 -4.65 114.28 109.04 1d2b n THR 119 Ca 0.00 -0.30 0.04 0.00 -2.04 0.00 0.00 64.05 61.75 1d2b n THR 119 Cb 0.00 0.41 0.18 0.00 -1.82 0.00 0.00 70.33 69.09 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 -1.90 0.83 -0.01 -1.42 4.02 0.89 -0.21 117.16 119.35 1d2b n TYR 120 Ca -0.01 -0.30 -0.03 0.00 -0.01 0.00 0.00 57.90 57.54 1d2b n TYR 120 Cb 0.42 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.50 1d2b n TYR 120 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1d2b h THR 121 N 1.86 0.27 0.00 -0.72 1.35 -1.82 -2.47 112.91 111.38 1d2b h THR 121 Ca 0.00 -1.12 -0.12 0.00 -0.55 0.00 0.00 66.41 64.63 1d2b h THR 121 Cb 0.99 0.50 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 1d2b h THR 121 CO 0.17 0.09 -1.77 0.52 -0.25 0.00 0.00 175.52 174.28 1d2b n VAL 122 N -4.82 0.68 -0.35 6.82 0.31 -1.25 -4.23 118.33 115.49 1d2b n VAL 122 Ca -0.03 -0.63 0.07 0.00 -0.01 0.00 0.00 64.34 63.75 1d2b n VAL 122 Cb 0.10 -0.33 0.22 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.38 2.87 0.50 2.92 0.00 0.71 -4.67 105.19 108.89 1d2b n GLY 123 Ca -0.11 -0.57 0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.44 0.22 0.00 0.00 0.28 -1.26 -3.50 120.64 111.94 1d2b n GLU 125 Ca 0.39 -0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1d2b n GLU 125 Cb 1.58 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 32.40 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12