#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 3.58 0.44 0.00 -1.32 -1.26 -3.85 115.64 113.23 1d2b s THR 2 Ca 0.00 -2.48 0.08 0.00 -1.21 0.00 0.00 61.69 58.08 1d2b s THR 2 Cb 0.00 -3.39 0.01 0.00 -1.51 0.00 0.00 72.50 67.61 1d2b s THR 2 CO 0.00 -0.79 0.51 0.00 -2.21 0.00 0.00 174.62 172.13 1d2b s VAL 4 N -2.45 4.93 -0.57 0.00 -7.23 -1.26 -4.72 120.40 109.11 1d2b s VAL 4 Ca 0.52 -0.16 -0.41 0.00 -1.81 0.00 0.00 61.98 60.12 1d2b s VAL 4 Cb -0.07 -3.84 -0.19 0.00 0.56 0.00 0.00 36.38 32.85 1d2b s VAL 4 CO 0.31 -0.68 2.24 -2.65 -0.31 0.00 0.00 175.10 174.01 1d2b n PRO 5 N -2.03 0.10 -3.02 4.82 -0.02 -1.26 -4.89 135.00 128.70 1d2b n PRO 5 Ca -0.02 0.03 -0.40 0.00 -2.02 0.00 0.00 63.50 61.09 1d2b n PRO 5 Cb 0.56 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 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 6.53 4.46 -0.12 0.52 0.04 -1.26 -4.93 135.00 140.23 1d2b s PRO 6 Ca 1.21 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 63.06 1d2b s PRO 6 Cb -1.39 -3.38 -0.08 0.00 0.04 0.00 0.00 34.50 29.68 1d2b s PRO 6 CO 0.61 0.24 0.57 0.72 0.04 0.00 0.00 177.00 179.18 1d2b n HIS 7 N 3.04 0.54 0.44 0.56 8.25 -1.26 -4.50 115.22 122.29 1d2b n HIS 7 Ca -0.03 0.46 0.09 0.00 -0.26 0.00 0.00 57.72 57.98 1d2b n HIS 7 Cb 0.51 -0.89 0.38 0.00 1.12 0.00 0.00 29.99 31.10 1d2b n HIS 7 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1d2b n PRO 8 N 1.23 0.08 0.08 -0.41 -0.04 -1.02 0.92 135.00 135.83 1d2b n PRO 8 Ca 0.11 0.34 -0.06 0.00 -0.04 0.00 0.00 63.50 63.84 1d2b n PRO 8 Cb -0.00 -1.66 0.09 0.00 -0.04 0.00 0.00 33.50 31.88 1d2b n PRO 8 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1d2b h GLN 9 N 0.00 0.26 0.05 0.54 -0.00 0.11 0.41 115.11 116.48 1d2b h GLN 9 Ca 0.00 -0.20 -0.32 0.00 -0.00 0.00 0.00 58.65 58.14 1d2b h GLN 9 Cb 0.29 0.04 -0.03 0.00 -0.00 0.00 0.00 27.48 27.77 1d2b h GLN 9 CO 0.00 0.82 -1.76 2.41 -0.00 0.00 0.00 178.83 180.31 1d2b n THR 10 N -3.84 1.63 -0.28 1.86 -1.04 -0.37 -3.63 114.28 108.60 1d2b n THR 10 Ca -0.03 -0.34 -0.03 0.00 -2.04 0.00 0.00 64.05 61.62 1d2b n THR 10 Cb 0.65 -1.87 0.09 0.00 -1.82 0.00 0.00 70.33 67.39 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 -0.30 1.03 0.47 2.41 0.00 0.52 0.74 119.26 124.13 1d2b h ALA 11 Ca -0.43 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1d2b h ALA 11 Cb 1.66 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1d2b h ALA 11 CO -0.11 0.33 -0.23 0.35 0.00 0.00 0.00 179.25 179.59 1d2b h PHE 12 N 0.99 -0.59 0.00 0.00 3.57 -0.36 -2.51 116.94 118.04 1d2b h PHE 12 Ca 0.31 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 1d2b h PHE 12 Cb -0.01 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 1d2b h PHE 12 CO -0.03 -0.37 -0.01 0.00 -2.23 0.00 0.00 178.31 175.67 1d2b h ASN 14 N 0.00 0.67 -3.53 0.00 -0.73 0.40 -3.45 115.58 108.94 1d2b h ASN 14 Ca -0.00 -0.92 -0.53 0.00 1.87 0.00 0.00 56.30 56.72 1d2b h ASN 14 Cb 0.53 -0.22 0.06 0.00 0.27 0.00 0.00 38.32 38.96 1d2b h ASN 14 CO 0.00 1.70 0.72 -0.44 -0.37 0.00 0.00 177.43 179.04 1d2b s SER 15 N -7.35 6.69 -0.01 1.15 0.01 -0.95 -4.90 113.70 108.35 1d2b s SER 15 Ca -0.13 2.66 0.16 0.00 1.31 0.00 0.00 55.95 59.95 1d2b s SER 15 Cb 0.04 -2.63 0.48 0.00 0.21 0.00 0.00 66.02 64.12 1d2b s SER 15 CO 0.88 -0.65 1.40 0.47 0.41 0.00 0.00 173.24 175.75 1d2b n ASP 16 N 1.89 2.98 -3.64 2.44 8.00 -1.24 -4.84 116.55 122.15 1d2b n ASP 16 Ca 0.05 -2.05 -0.05 0.00 0.71 0.00 0.00 54.79 53.46 1d2b n ASP 16 Cb 0.41 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 1d2b n ASP 16 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1d2b s LEU 17 N -1.07 -0.15 -0.01 0.64 0.05 0.33 -4.54 118.68 113.92 1d2b s LEU 17 Ca 0.36 0.27 -0.01 0.00 0.05 0.00 0.00 54.13 54.81 1d2b s LEU 17 Cb 0.19 1.31 0.01 0.00 -2.05 0.00 0.00 46.19 45.66 1d2b s LEU 17 CO 0.24 -0.07 0.03 -0.69 -0.55 0.00 0.00 176.35 175.31 1d2b s VAL 18 N -0.17 -0.02 0.06 1.48 1.01 -0.75 0.21 120.40 122.21 1d2b s VAL 18 Ca 0.06 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 1d2b s VAL 18 Cb -0.04 -0.06 0.06 0.00 0.00 0.00 0.00 36.38 36.34 1d2b s VAL 18 CO -0.11 0.03 0.55 0.27 0.00 0.00 0.00 175.10 175.83 1d2b s ILE 19 N 0.35 0.02 -0.20 2.22 -4.36 0.17 0.94 121.20 120.34 1d2b s ILE 19 Ca -0.03 -0.19 -0.09 0.00 -0.26 0.00 0.00 60.65 60.08 1d2b s ILE 19 Cb -0.04 -0.99 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 1d2b s ILE 19 CO -0.01 -0.10 0.12 0.00 0.24 0.00 0.00 174.94 175.18 1d2b s ARG 20 N -2.59 4.12 0.36 0.37 1.70 0.10 0.36 118.95 123.37 1d2b s ARG 20 Ca -0.04 -0.26 -0.12 0.00 -0.47 0.00 0.00 55.73 54.84 1d2b s ARG 20 Cb -0.01 -3.39 0.03 0.00 -0.57 0.00 0.00 34.95 31.02 1d2b s ARG 20 CO -0.03 0.26 0.66 0.00 -1.08 0.00 0.00 175.30 175.12 1d2b s ALA 21 N 0.45 -0.25 0.09 7.88 0.00 -0.94 -0.15 121.76 128.85 1d2b s ALA 21 Ca 0.07 -0.98 0.09 0.00 0.00 0.00 0.00 51.96 51.13 1d2b s ALA 21 Cb -0.12 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1d2b s ALA 21 CO -0.01 -0.92 -0.23 0.15 0.00 0.00 0.00 175.76 174.76 1d2b s LYS 22 N -2.76 1.31 -0.20 0.00 1.02 0.80 0.88 119.74 120.79 1d2b s LYS 22 Ca 0.20 -1.14 -0.16 0.00 0.02 0.00 0.00 55.97 54.89 1d2b s LYS 22 Cb -0.03 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.65 1d2b s LYS 22 CO 0.14 0.38 0.40 -0.06 -0.92 0.00 0.00 175.35 175.30 1d2b s PHE 23 N -1.02 3.38 -0.28 3.18 0.40 -1.26 0.52 117.98 122.90 1d2b s PHE 23 Ca 0.09 0.63 0.19 0.00 -0.60 0.00 0.00 56.93 57.23 1d2b s PHE 23 Cb -0.10 -2.53 0.49 0.00 0.51 0.00 0.00 43.02 41.40 1d2b s PHE 23 CO 0.04 -0.00 1.11 1.33 0.70 0.00 0.00 175.22 178.39 1d2b n VAL 24 N 4.32 1.53 -3.63 -0.44 0.24 -1.00 -4.58 118.33 114.77 1d2b n VAL 24 Ca -0.08 -3.26 -0.04 0.00 -2.04 0.00 0.00 64.34 58.92 1d2b n VAL 24 Cb 0.51 0.67 -0.01 0.00 -1.47 0.00 0.00 33.84 33.54 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 -0.35 0.23 7.63 0.00 -1.15 -4.72 107.32 105.26 1d2b s GLY 25 Ca 0.32 0.74 -0.10 0.00 0.00 0.00 0.00 44.72 45.68 1d2b s GLY 25 CO -0.02 0.21 0.55 -1.59 0.00 0.00 0.00 173.10 172.25 1d2b s THR 26 N -2.92 4.93 -0.02 0.90 2.01 -1.26 -4.18 115.64 115.09 1d2b s THR 26 Ca 0.10 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 1d2b s THR 26 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 1d2b s THR 26 CO -0.03 -0.07 0.81 -2.16 -0.69 0.00 0.00 174.62 172.48 1d2b s PRO 27 N -2.82 4.49 -0.44 4.92 0.04 -1.25 -4.25 135.00 135.70 1d2b s PRO 27 Ca 0.47 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 62.46 1d2b s PRO 27 Cb -0.11 -3.44 0.04 0.00 0.04 0.00 0.00 34.50 31.03 1d2b s PRO 27 CO 0.21 0.06 0.39 -1.21 0.04 0.00 0.00 177.00 176.49 1d2b s GLU 28 N 0.73 3.01 -0.54 4.56 2.02 0.28 -4.86 118.70 123.90 1d2b s GLU 28 Ca 0.43 -1.07 -0.13 0.00 0.02 0.00 0.00 54.97 54.22 1d2b s GLU 28 Cb -0.19 -4.04 0.13 0.00 0.10 0.00 0.00 34.13 30.13 1d2b s GLU 28 CO 0.22 -0.91 0.46 0.08 0.02 0.00 0.00 175.26 175.13 1d2b s VAL 29 N 1.85 4.80 0.62 2.63 1.01 -1.26 -1.74 120.40 128.31 1d2b s VAL 29 Ca 0.07 -1.74 -0.16 0.00 0.00 0.00 0.00 61.98 60.15 1d2b s VAL 29 Cb -0.20 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1d2b s VAL 29 CO 0.10 -0.85 1.10 0.21 0.00 0.00 0.00 175.10 175.66 1d2b s ASN 30 N 3.03 5.37 0.00 3.32 2.47 -1.25 -4.91 114.94 122.97 1d2b s ASN 30 Ca 0.06 2.00 0.29 0.00 0.42 0.00 0.00 52.86 55.63 1d2b s ASN 30 Cb -0.27 -2.55 1.30 0.00 -1.45 0.00 0.00 41.25 38.28 1d2b s ASN 30 CO 0.00 -1.45 1.93 0.00 -3.72 0.00 0.00 177.10 173.87 1d2b n GLN 31 N -2.11 0.30 -2.38 0.43 1.13 -1.26 -3.90 117.38 109.59 1d2b n GLN 31 Ca 0.10 -0.04 -0.00 0.00 -1.94 0.00 0.00 57.00 55.12 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 -1.31 0.66 -0.10 5.09 -1.04 -1.26 -4.86 114.28 111.46 1d2b n THR 32 Ca 0.11 -1.92 -0.20 0.00 -2.04 0.00 0.00 64.05 60.00 1d2b n THR 32 Cb 0.29 1.12 -0.07 0.00 -1.82 0.00 0.00 70.33 69.85 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 -0.50 1.19 -0.06 12.58 5.66 -1.25 -4.98 114.28 126.92 1d2b n THR 33 Ca -0.01 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1d2b n THR 33 Cb 0.88 -1.84 0.00 0.00 -1.55 0.00 0.00 70.33 67.82 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 -3.98 0.00 -4.18 1.09 4.77 -1.23 -4.90 117.00 108.56 1d2b n LEU 34 Ca -0.37 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.45 1d2b n LEU 34 Cb 0.74 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.75 1d2b n LEU 34 CO 0.04 0.00 -0.04 -0.72 -1.33 0.00 0.00 177.39 175.34 1d2b s TYR 35 N -2.47 1.32 0.05 -1.77 1.13 -1.26 0.57 117.35 114.91 1d2b s TYR 35 Ca 0.00 -1.42 0.01 0.00 -1.41 0.00 0.00 57.07 54.25 1d2b s TYR 35 Cb 0.00 -0.42 -0.00 0.00 -1.10 0.00 0.00 41.96 40.44 1d2b s TYR 35 CO 0.00 -0.92 0.03 1.04 -2.51 0.00 0.00 175.55 173.19 1d2b n GLN 36 N -0.51 0.44 -3.78 -3.49 6.02 0.67 -3.92 117.38 112.80 1d2b n GLN 36 Ca 0.04 -0.46 -0.13 0.00 -0.01 0.00 0.00 57.00 56.44 1d2b n GLN 36 Cb 0.63 0.32 -0.12 0.00 1.02 0.00 0.00 30.24 32.08 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 -2.20 0.23 0.08 -1.09 0.52 -0.71 -3.37 118.95 112.40 1d2b s ARG 37 Ca 0.04 0.35 0.06 0.00 -0.52 0.00 0.00 55.73 55.67 1d2b s ARG 37 Cb 0.00 0.04 -0.03 0.00 0.52 0.00 0.00 34.95 35.48 1d2b s ARG 37 CO 0.03 -0.07 -0.17 0.71 0.02 0.00 0.00 175.30 175.82 1d2b s TYR 38 N 0.45 1.42 -0.03 -0.53 2.02 -0.87 1.00 117.35 120.82 1d2b s TYR 38 Ca -0.03 -0.44 -0.02 0.00 -0.37 0.00 0.00 57.07 56.22 1d2b s TYR 38 Cb -0.04 -0.79 -0.04 0.00 -0.40 0.00 0.00 41.96 40.68 1d2b s TYR 38 CO -0.02 0.10 0.12 -2.00 -1.57 0.00 0.00 175.55 172.18 1d2b s GLU 39 N -1.73 3.23 -0.15 -0.62 2.12 -1.26 -1.09 118.70 119.21 1d2b s GLU 39 Ca 0.01 -0.38 -0.13 0.00 0.36 0.00 0.00 54.97 54.84 1d2b s GLU 39 Cb -0.10 -2.98 0.04 0.00 0.26 0.00 0.00 34.13 31.35 1d2b s GLU 39 CO 0.03 0.68 0.38 0.96 -0.54 0.00 0.00 175.26 176.77 1d2b s ILE 40 N -1.20 -0.00 -1.13 -3.70 -4.36 0.95 -2.37 121.20 109.38 1d2b s ILE 40 Ca 0.23 0.02 -0.22 0.00 -0.26 0.00 0.00 60.65 60.42 1d2b s ILE 40 Cb -0.12 -0.54 -0.00 0.00 1.25 0.00 0.00 42.46 43.04 1d2b s ILE 40 CO 0.13 0.01 1.78 -0.75 0.24 0.00 0.00 174.94 176.35 1d2b s LYS 41 N 0.39 3.18 0.02 0.37 2.36 1.99 -4.74 119.74 123.31 1d2b s LYS 41 Ca -0.02 -1.25 -0.31 0.00 -2.55 0.00 0.00 55.97 51.85 1d2b s LYS 41 Cb -0.04 -5.32 -0.10 0.00 -1.05 0.00 0.00 37.83 31.32 1d2b s LYS 41 CO -0.01 -2.99 1.95 -0.12 1.55 0.00 0.00 175.35 175.72 1d2b n MET 42 N 8.55 2.74 -0.02 4.03 0.00 -1.26 -0.14 117.12 131.03 1d2b n MET 42 Ca 0.43 1.01 -0.00 0.00 -0.00 0.00 0.00 57.70 59.13 1d2b n MET 42 Cb 0.47 -2.94 -0.00 0.00 0.00 0.00 0.00 33.22 30.75 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 5.54 0.00 -2.73 1.12 2.02 -0.87 -3.47 112.91 114.52 1d2b h THR 43 Ca -0.49 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.27 1d2b h THR 43 Cb 1.24 0.00 -0.24 0.00 -1.74 0.00 0.00 68.15 67.42 1d2b h THR 43 CO 0.94 0.00 -0.23 -0.54 0.37 0.00 0.00 175.52 176.07 1d2b s LYS 44 N -1.21 0.49 -0.04 6.66 1.02 -0.19 -5.01 119.74 121.47 1d2b s LYS 44 Ca -0.01 0.57 -0.13 0.00 0.02 0.00 0.00 55.97 56.41 1d2b s LYS 44 Cb 0.00 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.50 1d2b s LYS 44 CO 0.02 -0.06 0.35 -1.64 -0.92 0.00 0.00 175.35 173.09 1d2b s MET 45 N 0.19 3.85 -0.23 1.68 -1.94 -1.26 0.00 119.30 121.59 1d2b s MET 45 Ca -0.00 0.28 -0.03 0.00 -1.71 0.00 0.00 55.69 54.22 1d2b s MET 45 Cb -0.03 -3.23 -0.19 0.00 2.01 0.00 0.00 34.83 33.39 1d2b s MET 45 CO 0.01 0.67 -0.08 0.66 -0.01 0.00 0.00 175.02 176.26 1d2b n TYR 46 N 2.02 0.35 -3.89 -0.03 4.02 0.12 -4.92 117.16 114.83 1d2b n TYR 46 Ca -0.15 0.09 -0.15 0.00 -0.01 0.00 0.00 57.90 57.68 1d2b n TYR 46 Cb 0.53 -1.04 -0.15 0.00 -0.02 0.00 0.00 39.34 38.65 1d2b n TYR 46 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1d2b s LYS 47 N -2.52 0.14 0.00 -0.72 -0.14 0.27 -4.88 119.74 111.88 1d2b s LYS 47 Ca -0.32 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 1d2b s LYS 47 Cb 0.09 -0.29 0.00 0.00 -1.68 0.00 0.00 37.83 35.95 1d2b s LYS 47 CO 0.63 -0.09 0.00 0.41 -0.76 0.00 0.00 175.35 175.53 1d2b n GLY 48 N 3.80 0.29 0.19 -3.33 0.00 -1.26 -1.82 105.19 103.07 1d2b n GLY 48 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 0.09 -0.10 1.61 3.01 -1.26 0.28 117.46 121.09 1d2b n PHE 49 Ca 0.00 -0.05 -0.19 0.00 1.01 0.00 0.00 57.45 58.23 1d2b n PHE 49 Cb 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.37 1d2b n PHE 49 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1d2b h GLN 50 N 0.73 0.00 0.28 -1.08 -0.00 -1.95 -3.32 115.11 109.78 1d2b h GLN 50 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 1d2b h GLN 50 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.64 1d2b h GLN 50 CO 0.00 0.84 -0.14 0.00 -0.00 0.00 0.00 178.83 179.53 1d2b h ALA 51 N -0.57 -0.38 -3.00 0.06 0.00 -1.78 -3.45 119.26 110.15 1d2b h ALA 51 Ca -0.28 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1d2b h ALA 51 Cb 1.16 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1d2b h ALA 51 CO -0.17 -0.70 0.00 1.28 0.00 0.00 0.00 179.25 179.66 1d2b n LEU 52 N -5.24 0.00 0.00 0.00 4.32 0.14 -5.10 117.00 111.13 1d2b n LEU 52 Ca -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 1d2b n LEU 52 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 1d2b n LEU 52 CO 0.35 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1d2b n GLY 53 N 4.49 1.98 3.55 -0.72 0.00 -1.25 -4.85 105.19 108.39 1d2b n GLY 53 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1d2b n GLY 53 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1d2b s ASP 54 N 0.00 6.45 0.00 1.61 -4.77 -1.26 -4.87 116.67 113.83 1d2b s ASP 54 Ca 0.00 -0.01 0.00 0.00 -3.30 0.00 0.00 52.55 49.24 1d2b s ASP 54 Cb 0.00 -2.41 0.00 0.00 -1.09 0.00 0.00 42.92 39.42 1d2b s ASP 54 CO 0.00 -0.95 0.11 0.00 0.70 0.00 0.00 175.17 175.03 1d2b n ALA 55 N 6.84 0.68 -1.25 2.11 0.00 -1.26 -0.76 120.51 126.86 1d2b n ALA 55 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.54 1d2b n ALA 55 Cb 0.48 -0.45 0.19 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.47 3.08 -1.06 0.00 0.00 -1.26 -4.66 120.51 116.14 1d2b n ALA 56 Ca 0.00 -2.83 -0.14 0.00 0.00 0.00 0.00 53.44 50.47 1d2b n ALA 56 Cb 0.00 -0.49 0.25 0.00 0.00 0.00 0.00 19.45 19.21 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 4.34 -3.15 0.00 -0.08 0.06 -4.66 116.55 111.91 1d2b n ASP 57 Ca 0.20 -3.35 -0.18 0.00 -1.51 0.00 0.00 54.79 49.95 1d2b n ASP 57 Cb 0.76 -0.78 -0.06 0.00 2.34 0.00 0.00 41.12 43.38 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 -3.05 -0.20 -0.88 5.18 1.01 -1.26 -4.96 121.20 117.04 1d2b s ILE 58 Ca 0.55 -1.96 0.12 0.00 0.00 0.00 0.00 60.65 59.35 1d2b s ILE 58 Cb 0.45 -0.75 -0.05 0.00 0.01 0.00 0.00 42.46 42.11 1d2b s ILE 58 CO 0.12 -0.75 0.62 0.54 0.00 0.00 0.00 174.94 175.48 1d2b n ARG 59 N 2.93 2.46 -3.81 2.79 1.74 -1.26 -4.67 116.66 116.84 1d2b n ARG 59 Ca 0.25 -0.40 -0.12 0.00 -0.77 0.00 0.00 57.85 56.80 1d2b n ARG 59 Cb 0.51 -1.11 -0.10 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.76 -0.13 -0.19 -1.55 0.40 -1.25 -0.03 117.98 113.46 1d2b s PHE 60 Ca 0.08 0.28 -0.05 0.00 -0.60 0.00 0.00 56.93 56.64 1d2b s PHE 60 Cb 0.09 0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.64 1d2b s PHE 60 CO 0.37 -0.24 -0.01 0.14 0.70 0.00 0.00 175.22 176.19 1d2b s VAL 61 N -0.72 3.97 -0.40 -0.44 -7.23 -0.25 -4.23 120.40 111.11 1d2b s VAL 61 Ca -0.08 -0.31 -0.08 0.00 -1.81 0.00 0.00 61.98 59.70 1d2b s VAL 61 Cb -0.05 -2.78 0.07 0.00 0.56 0.00 0.00 36.38 34.19 1d2b s VAL 61 CO 0.02 0.44 0.22 -0.31 -0.31 0.00 0.00 175.10 175.16 1d2b s TYR 62 N 0.83 3.35 0.18 2.82 1.51 0.68 -2.04 117.35 124.68 1d2b s TYR 62 Ca 0.00 -1.61 0.11 0.00 -1.01 0.00 0.00 57.07 54.56 1d2b s TYR 62 Cb -0.14 -2.85 -0.04 0.00 -0.11 0.00 0.00 41.96 38.81 1d2b s TYR 62 CO 0.02 -0.84 -0.24 -0.08 -1.11 0.00 0.00 175.55 173.30 1d2b s THR 63 N 1.39 2.35 0.41 -0.71 -1.32 -1.22 -3.01 115.64 113.53 1d2b s THR 63 Ca 0.03 -1.98 -0.27 0.00 -1.21 0.00 0.00 61.69 58.26 1d2b s THR 63 Cb -0.22 -2.11 -0.10 0.00 -1.51 0.00 0.00 72.50 68.56 1d2b s THR 63 CO 0.01 -0.08 1.44 -2.65 -2.21 0.00 0.00 174.62 171.13 1d2b n PRO 64 N 0.38 2.40 -3.80 7.08 -0.02 -1.25 0.24 135.00 140.03 1d2b n PRO 64 Ca -0.13 0.85 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 1d2b n PRO 64 Cb 0.55 -2.61 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b s ALA 65 N -1.16 3.31 0.05 3.55 0.00 2.32 -3.19 121.76 126.65 1d2b s ALA 65 Ca 0.57 -2.89 -0.05 0.00 0.00 0.00 0.00 51.96 49.59 1d2b s ALA 65 Cb -0.47 -2.44 -0.01 0.00 0.00 0.00 0.00 23.12 20.20 1d2b s ALA 65 CO 0.60 -1.93 0.10 1.41 0.00 0.00 0.00 175.76 175.94 1d2b s MET 66 N 0.51 0.65 -0.11 0.00 1.75 -1.26 -3.58 119.30 117.27 1d2b s MET 66 Ca 0.13 -0.89 -0.30 0.00 -1.25 0.00 0.00 55.69 53.38 1d2b s MET 66 Cb -0.22 0.25 -0.08 0.00 2.84 0.00 0.00 34.83 37.63 1d2b s MET 66 CO -0.04 -0.17 2.09 -1.91 -0.65 0.00 0.00 175.02 174.34 1d2b n GLU 67 N 0.45 2.29 -1.15 4.11 4.07 -1.26 0.01 120.64 129.15 1d2b n GLU 67 Ca -0.17 0.75 -0.05 0.00 -0.06 0.00 0.00 57.16 57.63 1d2b n GLU 67 Cb 0.60 -3.03 -0.02 0.00 -0.06 0.00 0.00 31.44 28.92 1d2b n GLU 67 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1d2b n SER 68 N 9.38 -3.80 -2.72 4.31 2.88 -1.26 -5.02 113.62 117.39 1d2b n SER 68 Ca 0.26 0.13 -0.04 0.00 -1.33 0.00 0.00 58.87 57.89 1d2b n SER 68 Cb 0.40 -1.76 0.04 0.00 -0.75 0.00 0.00 64.21 62.14 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1d2b n VAL 69 N -2.79 0.00 -0.02 2.46 3.14 0.10 -4.15 118.33 117.07 1d2b n VAL 69 Ca -0.05 -0.06 -0.02 0.00 -2.96 0.00 0.00 64.34 61.25 1d2b n VAL 69 Cb 0.20 -0.89 -0.01 0.00 -1.06 0.00 0.00 33.84 32.09 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 1.61 2.59 2.80 0.00 0.00 -1.19 -4.02 105.19 106.98 1d2b n GLY 71 Ca -0.03 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.01 -0.70 1.61 6.14 -1.26 -3.56 117.35 118.57 1d2b s TYR 72 Ca 0.00 -0.20 -0.26 0.00 0.64 0.00 0.00 57.07 57.26 1d2b s TYR 72 Cb 0.00 0.19 -0.05 0.00 0.42 0.00 0.00 41.96 42.53 1d2b s TYR 72 CO 0.00 -0.76 2.02 -0.06 0.64 0.00 0.00 175.55 177.39 1d2b s PHE 73 N 1.22 1.57 -0.35 4.97 0.40 -1.26 -4.92 117.98 119.62 1d2b s PHE 73 Ca 0.23 0.97 -0.12 0.00 -0.60 0.00 0.00 56.93 57.41 1d2b s PHE 73 Cb 0.04 -3.94 0.00 0.00 0.51 0.00 0.00 43.02 39.63 1d2b s PHE 73 CO -0.09 -2.10 0.21 -1.58 0.70 0.00 0.00 175.22 172.36 1d2b s HIS 74 N 10.38 3.21 -0.56 0.36 5.65 -1.26 -4.98 115.29 128.08 1d2b s HIS 74 Ca 0.75 -0.54 0.06 0.00 0.25 0.00 0.00 55.06 55.58 1d2b s HIS 74 Cb -0.11 -2.44 0.31 0.00 -1.18 0.00 0.00 32.58 29.15 1d2b s HIS 74 CO 0.14 -0.48 0.83 2.89 -0.65 0.00 0.00 174.74 177.47 1d2b n ARG 75 N 5.05 2.60 -4.02 2.88 0.00 -1.26 -5.04 116.66 116.86 1d2b n ARG 75 Ca -0.13 -4.53 -0.34 0.00 -0.00 0.00 0.00 57.85 52.85 1d2b n ARG 75 Cb 0.48 -2.12 -0.15 0.00 -0.00 0.00 0.00 32.46 30.68 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1d2b s SER 76 N -2.89 3.84 0.03 2.89 0.01 -1.26 -5.00 113.70 111.32 1d2b s SER 76 Ca 0.44 -0.73 -0.25 0.00 1.31 0.00 0.00 55.95 56.72 1d2b s SER 76 Cb 0.24 -1.60 -0.17 0.00 0.21 0.00 0.00 66.02 64.70 1d2b s SER 76 CO -0.09 -0.06 1.43 0.45 0.41 0.00 0.00 173.24 175.39 1d2b h HIS 77 N 7.98 -0.21 -3.02 2.43 3.86 -2.00 -3.42 115.15 120.78 1d2b h HIS 77 Ca -0.39 -0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.25 1d2b h HIS 77 Cb 1.13 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 29.62 1d2b h HIS 77 CO 0.54 0.06 1.06 1.21 0.86 0.00 0.00 177.93 181.67 1d2b s ASN 78 N -5.21 6.45 0.00 2.45 3.84 -1.26 -4.87 114.94 116.34 1d2b s ASN 78 Ca -0.15 1.26 0.26 0.00 0.21 0.00 0.00 52.86 54.44 1d2b s ASN 78 Cb 0.03 -2.54 1.25 0.00 -0.55 0.00 0.00 41.25 39.44 1d2b s ASN 78 CO 0.62 -1.26 1.86 -2.11 -2.79 0.00 0.00 177.10 173.42 1d2b n ARG 79 N 7.67 0.27 -0.13 0.43 1.85 -1.26 -2.68 116.66 122.80 1d2b n ARG 79 Ca 0.17 0.05 0.08 0.00 -1.00 0.00 0.00 57.85 57.14 1d2b n ARG 79 Cb 0.46 -1.50 0.14 0.00 -1.05 0.00 0.00 32.46 30.52 1d2b n ARG 79 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1d2b n SER 80 N -1.34 2.83 -4.66 2.89 3.41 -1.26 -4.35 113.62 111.13 1d2b n SER 80 Ca 0.11 -1.84 -0.42 0.00 -0.26 0.00 0.00 58.87 56.46 1d2b n SER 80 Cb 0.23 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1d2b s GLU 81 N -1.12 4.24 1.07 4.33 2.12 -1.09 -5.01 118.70 123.24 1d2b s GLU 81 Ca 0.26 1.05 -0.13 0.00 0.36 0.00 0.00 54.97 56.50 1d2b s GLU 81 Cb 0.15 -3.61 0.23 0.00 0.26 0.00 0.00 34.13 31.15 1d2b s GLU 81 CO 0.20 -0.46 1.08 -1.21 -0.54 0.00 0.00 175.26 174.33 1d2b s GLU 82 N 2.61 -0.16 0.31 4.30 8.01 -1.26 -4.40 118.70 128.11 1d2b s GLU 82 Ca 0.38 0.50 -0.10 0.00 0.01 0.00 0.00 54.97 55.75 1d2b s GLU 82 Cb -0.16 -1.67 0.01 0.00 -4.31 0.00 0.00 34.13 28.00 1d2b s GLU 82 CO 0.09 -3.12 0.56 -0.06 0.01 0.00 0.00 175.26 172.74 1d2b s PHE 83 N -2.85 0.51 -0.13 1.61 0.08 0.25 -4.29 117.98 113.16 1d2b s PHE 83 Ca 0.67 -0.90 0.02 0.00 0.12 0.00 0.00 56.93 56.83 1d2b s PHE 83 Cb -0.19 0.28 0.00 0.00 -0.57 0.00 0.00 43.02 42.54 1d2b s PHE 83 CO 0.59 -1.19 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.15 1d2b s LEU 84 N -3.10 2.22 -0.24 -0.37 1.98 0.20 -2.21 118.68 117.16 1d2b s LEU 84 Ca 0.23 -0.55 -0.01 0.00 -2.89 0.00 0.00 54.13 50.91 1d2b s LEU 84 Cb -0.02 -1.47 0.07 0.00 0.66 0.00 0.00 46.19 45.43 1d2b s LEU 84 CO 0.13 0.11 0.04 -0.63 -1.89 0.00 0.00 176.35 174.11 1d2b s ILE 85 N 0.67 0.85 -0.30 6.68 1.01 0.16 -1.91 121.20 128.37 1d2b s ILE 85 Ca -0.10 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 1d2b s ILE 85 Cb -0.16 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1d2b s ILE 85 CO 0.02 -0.34 0.45 0.00 0.00 0.00 0.00 174.94 175.06 1d2b s ALA 86 N 1.68 3.54 -0.19 9.38 0.00 -0.52 0.44 121.76 136.09 1d2b s ALA 86 Ca 0.02 -0.84 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1d2b s ALA 86 Cb -0.17 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.18 1d2b s ALA 86 CO -0.13 -0.87 0.80 0.20 0.00 0.00 0.00 175.76 175.76 1d2b s GLY 87 N 1.66 -0.45 0.86 0.00 0.00 0.55 -4.41 107.32 105.54 1d2b s GLY 87 Ca 0.17 1.92 -0.11 0.00 0.00 0.00 0.00 44.72 46.70 1d2b s GLY 87 CO 0.11 1.42 1.20 0.54 0.00 0.00 0.00 173.10 176.36 1d2b s LYS 88 N -0.35 1.20 0.04 2.90 1.02 -1.20 0.12 119.74 123.47 1d2b s LYS 88 Ca -0.03 -0.50 0.05 0.00 0.02 0.00 0.00 55.97 55.51 1d2b s LYS 88 Cb -0.03 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1d2b s LYS 88 CO 0.03 -1.97 -0.10 -0.51 -0.92 0.00 0.00 175.35 171.88 1d2b s LEU 89 N -5.61 3.02 -0.20 3.17 1.43 -1.26 -1.11 118.68 118.11 1d2b s LEU 89 Ca 0.69 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.53 1d2b s LEU 89 Cb -0.06 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.44 1d2b s LEU 89 CO 0.50 0.25 -0.10 -1.10 0.23 0.00 0.00 176.35 176.12 1d2b s GLN 90 N -1.66 2.05 -1.01 1.70 -1.52 0.35 -4.76 119.66 114.81 1d2b s GLN 90 Ca 0.18 -0.86 -0.12 0.00 -1.95 0.00 0.00 55.36 52.61 1d2b s GLN 90 Cb -0.11 -2.43 0.12 0.00 -0.22 0.00 0.00 33.01 30.37 1d2b s GLN 90 CO 0.09 -0.43 0.33 -0.25 -0.25 0.00 0.00 175.29 174.78 1d2b n ASP 91 N 4.68 -1.66 0.00 5.90 8.00 -1.26 -0.74 116.55 131.47 1d2b n ASP 91 Ca -0.15 -0.41 0.00 0.00 0.71 0.00 0.00 54.79 54.95 1d2b n ASP 91 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 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 3.16 3.85 0.44 0.00 -1.26 -5.09 105.19 105.46 1d2b n GLY 92 Ca 0.05 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.85 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 3.57 0.65 0.99 2.01 0.09 -4.97 118.68 121.02 1d2b s LEU 93 Ca 0.00 1.51 -0.16 0.00 0.01 0.00 0.00 54.13 55.49 1d2b s LEU 93 Cb 0.00 -4.46 -0.01 0.00 0.01 0.00 0.00 46.19 41.73 1d2b s LEU 93 CO 0.00 -0.62 1.12 -0.22 1.01 0.00 0.00 176.35 177.64 1d2b s LEU 94 N -4.24 3.43 -0.02 1.79 2.96 -1.26 0.13 118.68 121.47 1d2b s LEU 94 Ca 0.58 2.04 -0.02 0.00 -0.22 0.00 0.00 54.13 56.51 1d2b s LEU 94 Cb -0.10 -4.56 0.00 0.00 0.50 0.00 0.00 46.19 42.04 1d2b s LEU 94 CO 0.35 -1.62 0.05 -1.00 -1.32 0.00 0.00 176.35 172.81 1d2b s HIS 95 N -2.25 -0.04 0.28 5.38 3.76 -0.27 -0.23 115.29 121.93 1d2b s HIS 95 Ca 0.68 0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 55.54 1d2b s HIS 95 Cb -0.21 0.01 0.01 0.00 1.11 0.00 0.00 32.58 33.49 1d2b s HIS 95 CO 0.40 -0.05 0.60 0.96 -0.85 0.00 0.00 174.74 175.80 1d2b s ILE 96 N -0.10 0.00 0.20 0.60 -0.00 -1.17 -3.22 121.20 117.51 1d2b s ILE 96 Ca -0.01 -1.23 -0.21 0.00 -0.00 0.00 0.00 60.65 59.20 1d2b s ILE 96 Cb -0.01 -2.23 0.04 0.00 -0.00 0.00 0.00 42.46 40.26 1d2b s ILE 96 CO 0.00 0.00 0.60 0.42 -0.00 0.00 0.00 174.94 175.96 1d2b s THR 97 N -3.73 0.01 -1.87 8.37 -4.23 -1.23 -4.32 115.64 108.64 1d2b s THR 97 Ca 0.18 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 1d2b s THR 97 Cb -0.03 -1.44 0.00 0.00 1.34 0.00 0.00 72.50 72.37 1d2b s THR 97 CO 0.09 -0.04 0.74 0.35 -0.54 0.00 0.00 174.62 175.22 1d2b n THR 98 N -0.39 0.00 -0.65 3.99 -2.24 -1.24 -1.62 114.28 112.13 1d2b n THR 98 Ca -0.11 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.73 1d2b n THR 98 Cb 0.63 -0.14 0.10 0.00 -2.10 0.00 0.00 70.33 68.81 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s SER 100 N -2.08 3.81 -0.48 0.00 0.01 -0.64 -4.77 113.70 109.55 1d2b s SER 100 Ca 0.21 -0.89 -0.27 0.00 1.31 0.00 0.00 55.95 56.31 1d2b s SER 100 Cb 0.18 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 1d2b s SER 100 CO 0.03 0.05 1.95 0.12 0.41 0.00 0.00 173.24 175.80 1d2b s PHE 101 N -2.26 1.58 -0.24 2.43 2.19 -1.26 -4.83 117.98 115.59 1d2b s PHE 101 Ca 0.28 0.86 -0.02 0.00 0.33 0.00 0.00 56.93 58.38 1d2b s PHE 101 Cb -0.06 -4.01 0.13 0.00 -1.31 0.00 0.00 43.02 37.77 1d2b s PHE 101 CO 0.15 -2.63 0.35 0.08 1.83 0.00 0.00 175.22 175.01 1d2b s VAL 102 N 8.90 -0.55 0.27 3.12 1.01 -1.26 -1.44 120.40 130.44 1d2b s VAL 102 Ca 0.78 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 1d2b s VAL 102 Cb -0.17 -0.82 0.04 0.00 0.00 0.00 0.00 36.38 35.43 1d2b s VAL 102 CO 0.26 -0.17 0.79 0.00 0.00 0.00 0.00 175.10 175.98 1d2b s ALA 103 N 2.50 -1.23 -0.01 5.51 0.00 -0.80 -4.98 121.76 122.75 1d2b s ALA 103 Ca 0.11 -0.31 -0.36 0.00 0.00 0.00 0.00 51.96 51.40 1d2b s ALA 103 Cb -0.15 0.78 -0.14 0.00 0.00 0.00 0.00 23.12 23.61 1d2b s ALA 103 CO -0.17 -1.03 1.65 -2.30 0.00 0.00 0.00 175.76 173.91 1d2b n PRO 104 N -0.48 1.79 -0.04 0.00 -0.02 -1.26 0.60 135.00 135.58 1d2b n PRO 104 Ca -0.05 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 61.99 1d2b n PRO 104 Cb 0.59 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.65 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 6.90 -0.72 0.00 6.00 -0.00 -1.75 0.30 115.95 126.69 1d2b h TRP 105 Ca -0.47 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.46 1d2b h TRP 105 Cb 1.29 0.35 0.00 0.00 -0.00 0.00 0.00 29.16 30.80 1d2b h TRP 105 CO 0.72 -0.34 0.00 0.09 -0.00 0.00 0.00 178.44 178.91 1d2b n ASN 106 N -5.39 0.01 -0.00 2.65 3.02 -1.26 -0.12 115.26 114.16 1d2b n ASN 106 Ca -0.01 -0.06 0.02 0.00 -0.03 0.00 0.00 54.58 54.49 1d2b n ASN 106 Cb 0.30 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.31 4.24 -4.69 6.41 2.88 0.10 -5.05 113.62 117.21 1d2b n SER 107 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 1d2b n SER 107 Cb 0.00 1.14 0.17 0.00 -0.75 0.00 0.00 64.21 64.78 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 -3.24 1.68 -0.43 2.46 1.02 0.83 -4.96 118.68 116.03 1d2b s LEU 108 Ca -0.01 1.21 -0.29 0.00 0.02 0.00 0.00 54.13 55.06 1d2b s LEU 108 Cb 0.02 -3.43 0.02 0.00 0.02 0.00 0.00 46.19 42.82 1d2b s LEU 108 CO 0.14 -3.06 1.30 -0.44 0.02 0.00 0.00 176.35 174.30 1d2b s SER 109 N -3.48 6.46 0.44 2.29 0.01 -1.26 -4.82 113.70 113.34 1d2b s SER 109 Ca 0.65 0.70 0.34 0.00 1.31 0.00 0.00 55.95 58.95 1d2b s SER 109 Cb -0.18 -2.54 1.16 0.00 0.21 0.00 0.00 66.02 64.66 1d2b s SER 109 CO 0.57 -1.35 1.14 0.00 0.41 0.00 0.00 173.24 174.01 1d2b n LEU 110 N 8.40 0.00 0.12 2.44 -0.00 -1.26 0.51 117.00 127.21 1d2b n LEU 110 Ca 0.15 0.71 -0.22 0.00 -0.00 0.00 0.00 56.01 56.65 1d2b n LEU 110 Cb 0.48 -0.33 -0.15 0.00 -0.00 0.00 0.00 43.42 43.42 1d2b n LEU 110 CO 0.71 -0.71 -0.26 0.00 -0.00 0.00 0.00 177.39 177.12 1d2b h ALA 111 N 0.66 -0.01 -0.01 1.47 0.00 -1.98 -2.09 119.26 117.30 1d2b h ALA 111 Ca 0.63 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1d2b h ALA 111 Cb 2.73 0.21 0.00 0.00 0.00 0.00 0.00 17.79 20.72 1d2b h ALA 111 CO -0.01 0.86 -0.05 0.94 0.00 0.00 0.00 179.25 180.99 1d2b n GLN 112 N -3.63 1.14 0.06 0.00 7.27 1.94 0.16 117.38 124.32 1d2b n GLN 112 Ca -0.17 -0.46 -0.22 0.00 0.07 0.00 0.00 57.00 56.22 1d2b n GLN 112 Cb 1.08 -1.49 -0.15 0.00 2.41 0.00 0.00 30.24 32.09 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 1.13 0.34 0.07 3.69 3.08 0.74 -0.70 114.38 122.73 1d2b h ARG 113 Ca 0.00 -0.59 -0.00 0.00 0.07 0.00 0.00 59.98 59.46 1d2b h ARG 113 Cb 0.33 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1d2b h ARG 113 CO 0.00 1.28 -0.03 0.07 -1.07 0.00 0.00 179.97 180.22 1d2b h ARG 114 N -0.14 -0.09 -0.66 0.04 -0.00 -0.79 -3.00 114.38 109.73 1d2b h ARG 114 Ca -0.27 0.01 0.14 0.00 -0.00 0.00 0.00 59.98 59.85 1d2b h ARG 114 Cb 1.89 0.02 -0.11 0.00 -0.00 0.00 0.00 29.97 31.77 1d2b h ARG 114 CO 0.14 0.47 0.01 0.78 -0.00 0.00 0.00 179.97 181.38 1d2b h GLY 115 N -0.88 0.71 0.21 0.08 0.00 0.14 0.62 103.07 103.95 1d2b h GLY 115 Ca -0.01 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.44 1d2b h GLY 115 CO 0.02 -0.22 -0.34 0.74 0.00 0.00 0.00 176.54 176.73 1d2b h PHE 116 N 0.12 -0.95 -0.34 5.60 0.04 -1.16 9.43 116.94 129.68 1d2b h PHE 116 Ca 0.35 0.03 0.10 0.00 2.80 0.00 0.00 57.97 61.25 1d2b h PHE 116 Cb 0.58 0.43 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 1d2b h PHE 116 CO -0.37 -0.43 0.61 0.00 -0.60 0.00 0.00 178.31 177.51 1d2b h THR 117 N -0.47 0.15 0.00 -1.55 1.03 0.10 -3.35 112.91 108.82 1d2b h THR 117 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.47 1d2b h THR 117 Cb 0.58 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.13 1d2b h THR 117 CO -0.31 0.00 -0.01 2.29 -0.01 0.00 0.00 175.52 177.48 1d2b n LYS 118 N -3.23 0.00 -0.08 0.00 2.85 0.37 -4.99 118.16 113.07 1d2b n LYS 118 Ca 0.06 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.21 1d2b n LYS 118 Cb 0.74 -0.51 -0.05 0.00 -0.65 0.00 0.00 35.03 34.57 1d2b n LYS 118 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 1d2b h THR 119 N 0.00 1.28 -0.20 0.58 1.35 1.97 -3.34 112.91 114.56 1d2b h THR 119 Ca 0.00 -1.05 -0.04 0.00 -0.55 0.00 0.00 66.41 64.76 1d2b h THR 119 Cb 0.01 1.47 -0.03 0.00 -1.73 0.00 0.00 68.15 67.88 1d2b h THR 119 CO 0.00 0.33 0.06 -1.22 -0.25 0.00 0.00 175.52 174.43 1d2b n TYR 120 N -4.56 0.67 -0.06 4.73 4.02 -1.09 -0.06 117.16 120.80 1d2b n TYR 120 Ca -0.04 -0.41 -0.16 0.00 -0.01 0.00 0.00 57.90 57.29 1d2b n TYR 120 Cb 0.29 -0.29 -0.14 0.00 -0.02 0.00 0.00 39.34 39.19 1d2b n TYR 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1d2b n THR 121 N 0.13 1.58 0.00 -0.72 -2.24 -1.25 -3.81 114.28 107.97 1d2b n THR 121 Ca 0.11 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1d2b n THR 121 Cb 0.61 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.59 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1d2b n VAL 122 N -3.18 0.00 -1.94 2.28 0.31 -1.24 -4.76 118.33 109.80 1d2b n VAL 122 Ca -0.34 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 63.93 1d2b n VAL 122 Cb 1.05 -0.26 0.11 0.00 -0.91 0.00 0.00 33.84 33.83 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 2.56 4.98 3.14 2.92 0.00 0.91 -4.95 105.19 114.75 1d2b n GLY 123 Ca 0.00 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 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 5.76 2.58 0.00 0.00 0.28 -1.26 -4.19 120.64 123.82 1d2b n GLU 125 Ca 0.17 -4.20 0.09 0.00 -0.16 0.00 0.00 57.16 53.06 1d2b n GLU 125 Cb 0.17 -1.97 0.07 0.00 1.43 0.00 0.00 31.44 31.14 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36