#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 0.63 -4.47 0.00 -2.24 -1.26 -4.16 114.28 102.78 1d2b n THR 2 Ca 0.00 -4.43 -0.30 0.00 -2.27 0.00 0.00 64.05 57.05 1d2b n THR 2 Cb 0.00 -1.99 -0.06 0.00 -2.10 0.00 0.00 70.33 66.19 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 -2.82 5.08 -0.50 0.00 -7.23 -1.26 -4.64 120.40 109.03 1d2b s VAL 4 Ca 0.17 -0.63 -0.45 0.00 -1.81 0.00 0.00 61.98 59.27 1d2b s VAL 4 Cb 0.01 -3.84 -0.19 0.00 0.56 0.00 0.00 36.38 32.92 1d2b s VAL 4 CO 0.10 -0.48 1.96 -2.65 -0.31 0.00 0.00 175.10 173.73 1d2b n PRO 5 N -1.69 0.02 -2.89 4.82 -0.02 -1.26 -4.90 135.00 129.07 1d2b n PRO 5 Ca -0.06 0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 61.03 1d2b n PRO 5 Cb 0.57 -1.51 -0.05 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 5.00 4.60 -0.03 0.52 0.05 -1.26 -4.93 135.00 138.95 1d2b s PRO 6 Ca 1.15 1.23 -0.17 0.00 0.05 0.00 0.00 61.00 63.26 1d2b s PRO 6 Cb -1.49 -3.34 -0.08 0.00 0.05 0.00 0.00 34.50 29.64 1d2b s PRO 6 CO 0.71 0.35 0.48 -2.39 0.05 0.00 0.00 177.00 176.20 1d2b n HIS 7 N 2.40 0.33 0.59 0.56 1.44 -1.26 -4.42 115.22 114.87 1d2b n HIS 7 Ca -0.02 0.45 0.07 0.00 -2.01 0.00 0.00 57.72 56.21 1d2b n HIS 7 Cb 0.49 -0.88 0.35 0.00 0.12 0.00 0.00 29.99 30.07 1d2b n HIS 7 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1d2b n PRO 8 N 0.77 0.08 -0.13 -1.40 -0.04 -1.26 0.39 135.00 133.40 1d2b n PRO 8 Ca 0.09 0.21 -0.11 0.00 -0.04 0.00 0.00 63.50 63.65 1d2b n PRO 8 Cb 0.03 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.00 1d2b n PRO 8 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1d2b h GLN 9 N 0.00 0.94 0.06 0.54 4.15 -1.86 0.58 115.11 119.53 1d2b h GLN 9 Ca 0.00 -0.42 -0.31 0.00 0.77 0.00 0.00 58.65 58.69 1d2b h GLN 9 Cb 0.22 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.86 1d2b h GLN 9 CO 0.00 1.08 -1.72 2.41 -1.93 0.00 0.00 178.83 178.67 1d2b n THR 10 N -4.10 1.66 -0.32 2.39 -1.04 -0.53 -3.64 114.28 108.70 1d2b n THR 10 Ca -0.00 -0.37 -0.02 0.00 -2.04 0.00 0.00 64.05 61.62 1d2b n THR 10 Cb 0.48 -1.86 0.11 0.00 -1.82 0.00 0.00 70.33 67.23 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 -0.22 1.13 0.18 2.41 0.00 -0.08 0.33 119.26 123.01 1d2b h ALA 11 Ca -0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1d2b h ALA 11 Cb 1.70 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1d2b h ALA 11 CO -0.07 0.42 -0.09 0.35 0.00 0.00 0.00 179.25 179.86 1d2b h PHE 12 N 1.10 -0.22 0.00 0.00 3.57 -0.00 -2.42 116.94 118.96 1d2b h PHE 12 Ca 0.34 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.84 1d2b h PHE 12 Cb -0.01 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1d2b h PHE 12 CO -0.02 -0.14 0.00 0.00 -2.23 0.00 0.00 178.31 175.92 1d2b h ASN 14 N 0.00 0.45 -3.93 0.00 -0.73 -0.43 -3.46 115.58 107.48 1d2b h ASN 14 Ca 0.00 -0.86 -0.49 0.00 1.87 0.00 0.00 56.30 56.82 1d2b h ASN 14 Cb 0.30 -0.15 0.03 0.00 0.27 0.00 0.00 38.32 38.77 1d2b h ASN 14 CO 0.00 1.76 0.45 -0.55 -0.37 0.00 0.00 177.43 178.72 1d2b s SER 15 N -7.05 6.75 -0.22 1.15 0.15 -0.91 -4.90 113.70 108.66 1d2b s SER 15 Ca -0.18 2.18 0.15 0.00 0.70 0.00 0.00 55.95 58.80 1d2b s SER 15 Cb 0.06 -2.60 0.73 0.00 -1.71 0.00 0.00 66.02 62.50 1d2b s SER 15 CO 0.81 -0.50 1.65 0.47 1.20 0.00 0.00 173.24 176.87 1d2b n ASP 16 N 0.18 5.14 -3.40 5.45 9.92 -1.23 -4.82 116.55 127.80 1d2b n ASP 16 Ca 0.04 -2.98 0.02 0.00 -0.53 0.00 0.00 54.79 51.34 1d2b n ASP 16 Cb 0.48 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.28 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 -2.80 -1.06 -0.07 0.64 1.43 0.58 -4.38 118.68 113.02 1d2b s LEU 17 Ca 0.51 1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 54.69 1d2b s LEU 17 Cb 0.40 2.06 0.03 0.00 0.03 0.00 0.00 46.19 48.70 1d2b s LEU 17 CO 0.14 -0.20 -0.00 -0.69 0.23 0.00 0.00 176.35 175.83 1d2b s VAL 18 N 2.81 0.38 0.12 -1.59 1.01 0.25 0.26 120.40 123.64 1d2b s VAL 18 Ca 0.04 0.11 -0.21 0.00 0.00 0.00 0.00 61.98 61.92 1d2b s VAL 18 Cb -0.12 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.79 1d2b s VAL 18 CO -0.19 0.26 0.52 0.27 0.00 0.00 0.00 175.10 175.96 1d2b s ILE 19 N 1.90 0.03 -0.16 2.22 -5.25 0.53 0.10 121.20 120.56 1d2b s ILE 19 Ca 0.04 -0.25 -0.11 0.00 -0.99 0.00 0.00 60.65 59.34 1d2b s ILE 19 Cb -0.12 -1.05 -0.05 0.00 2.95 0.00 0.00 42.46 44.19 1d2b s ILE 19 CO -0.05 -0.14 0.20 0.00 -1.79 0.00 0.00 174.94 173.16 1d2b s ARG 20 N -3.42 4.08 0.31 0.37 1.04 0.85 0.13 118.95 122.32 1d2b s ARG 20 Ca -0.00 -0.07 -0.07 0.00 -1.04 0.00 0.00 55.73 54.55 1d2b s ARG 20 Cb 0.00 -3.37 0.00 0.00 -2.04 0.00 0.00 34.95 29.54 1d2b s ARG 20 CO -0.10 0.38 0.50 0.00 -0.04 0.00 0.00 175.30 176.04 1d2b s ALA 21 N 0.10 0.30 0.06 7.88 0.00 -0.56 0.10 121.76 129.65 1d2b s ALA 21 Ca 0.13 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.92 1d2b s ALA 21 Cb -0.12 1.08 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 1d2b s ALA 21 CO 0.02 -0.82 -0.20 0.15 0.00 0.00 0.00 175.76 174.90 1d2b s LYS 22 N -3.31 1.29 -0.24 0.00 1.02 0.13 0.21 119.74 118.84 1d2b s LYS 22 Ca 0.27 -1.00 -0.16 0.00 0.02 0.00 0.00 55.97 55.10 1d2b s LYS 22 Cb -0.01 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.82 1d2b s LYS 22 CO 0.15 0.36 0.41 -0.06 -0.92 0.00 0.00 175.35 175.29 1d2b s PHE 23 N -0.91 3.30 -0.27 3.18 0.40 -1.26 0.59 117.98 123.00 1d2b s PHE 23 Ca 0.07 0.53 0.18 0.00 -0.60 0.00 0.00 56.93 57.11 1d2b s PHE 23 Cb -0.09 -2.58 0.49 0.00 0.51 0.00 0.00 43.02 41.35 1d2b s PHE 23 CO 0.02 -0.15 1.13 1.33 0.70 0.00 0.00 175.22 178.25 1d2b n VAL 24 N 4.83 1.62 -3.64 -0.44 0.24 -0.70 -4.13 118.33 116.11 1d2b n VAL 24 Ca -0.08 -3.30 -0.03 0.00 -2.04 0.00 0.00 64.34 58.90 1d2b n VAL 24 Cb 0.51 0.59 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 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 -3.73 -0.34 0.19 7.63 0.00 -0.92 -4.72 107.32 105.43 1d2b s GLY 25 Ca 0.34 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.75 1d2b s GLY 25 CO -0.02 0.18 0.36 -1.08 0.00 0.00 0.00 173.10 172.54 1d2b s THR 26 N -2.83 5.24 -0.06 0.90 -1.32 -1.26 -4.14 115.64 112.15 1d2b s THR 26 Ca 0.11 -0.46 -0.24 0.00 -1.21 0.00 0.00 61.69 59.90 1d2b s THR 26 Cb 0.01 -3.74 -0.04 0.00 -1.51 0.00 0.00 72.50 67.23 1d2b s THR 26 CO -0.03 -0.15 0.71 -2.16 -2.21 0.00 0.00 174.62 170.78 1d2b s PRO 27 N -3.30 4.44 -0.41 7.08 0.04 -1.25 -4.28 135.00 137.32 1d2b s PRO 27 Ca 0.37 0.90 -0.18 0.00 0.04 0.00 0.00 61.00 62.13 1d2b s PRO 27 Cb -0.11 -3.45 0.02 0.00 0.04 0.00 0.00 34.50 31.00 1d2b s PRO 27 CO 0.29 0.06 0.49 -1.21 0.04 0.00 0.00 177.00 176.67 1d2b s GLU 28 N 0.81 3.22 -0.32 4.56 2.02 -0.24 -4.90 118.70 123.85 1d2b s GLU 28 Ca 0.38 -0.59 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 1d2b s GLU 28 Cb -0.18 -3.94 0.07 0.00 0.10 0.00 0.00 34.13 30.18 1d2b s GLU 28 CO 0.18 -0.85 0.03 0.08 0.02 0.00 0.00 175.26 174.72 1d2b s VAL 29 N 2.31 2.83 0.60 2.63 1.01 -1.26 -2.80 120.40 125.73 1d2b s VAL 29 Ca 0.15 -1.66 -0.04 0.00 0.00 0.00 0.00 61.98 60.43 1d2b s VAL 29 Cb -0.16 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.50 1d2b s VAL 29 CO 0.15 -0.26 0.88 0.21 0.00 0.00 0.00 175.10 176.08 1d2b s ASN 30 N 1.29 5.30 0.00 3.32 2.47 -1.26 -4.94 114.94 121.12 1d2b s ASN 30 Ca -0.01 0.43 0.27 0.00 0.42 0.00 0.00 52.86 53.97 1d2b s ASN 30 Cb -0.20 -1.32 0.87 0.00 -1.45 0.00 0.00 41.25 39.15 1d2b s ASN 30 CO -0.03 -1.21 1.65 0.00 -3.72 0.00 0.00 177.10 173.79 1d2b n GLN 31 N -2.58 0.28 0.00 0.43 1.13 -1.26 -3.98 117.38 111.39 1d2b n GLN 31 Ca 0.06 -0.12 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1d2b n GLN 31 Cb 0.59 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.44 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 -1.25 0.22 -0.05 5.09 -1.04 -1.26 -4.80 114.28 111.20 1d2b n THR 32 Ca 0.09 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.05 61.67 1d2b n THR 32 Cb 0.32 1.11 -0.12 0.00 -1.82 0.00 0.00 70.33 69.82 1d2b n THR 32 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1d2b h THR 33 N 1.54 1.67 0.00 12.58 1.35 -1.87 -3.46 112.91 124.72 1d2b h THR 33 Ca 0.00 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1d2b h THR 33 Cb 0.66 3.06 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 1d2b h THR 33 CO 0.00 0.55 0.00 0.18 -0.25 0.00 0.00 175.52 176.00 1d2b n LEU 34 N -4.60 0.00 -4.08 3.87 4.77 -1.25 -4.85 117.00 110.85 1d2b n LEU 34 Ca -0.10 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.80 1d2b n LEU 34 Cb 0.47 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.46 1d2b n LEU 34 CO 0.36 0.00 -0.28 -0.72 -1.33 0.00 0.00 177.39 175.42 1d2b s TYR 35 N -1.74 0.62 0.11 -1.77 1.13 -1.26 1.05 117.35 115.49 1d2b s TYR 35 Ca 0.00 -1.07 0.00 0.00 -1.41 0.00 0.00 57.07 54.59 1d2b s TYR 35 Cb 0.00 -0.37 -0.00 0.00 -1.10 0.00 0.00 41.96 40.49 1d2b s TYR 35 CO 0.00 -0.49 0.01 1.04 -2.51 0.00 0.00 175.55 173.61 1d2b n GLN 36 N -0.02 1.43 -3.75 -3.49 6.02 0.73 -4.32 117.38 113.98 1d2b n GLN 36 Ca -0.10 -0.82 -0.13 0.00 -0.01 0.00 0.00 57.00 55.95 1d2b n GLN 36 Cb 0.62 0.29 -0.13 0.00 1.02 0.00 0.00 30.24 32.04 1d2b n GLN 36 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1d2b s ARG 37 N -2.39 0.18 0.07 -1.09 3.52 -1.12 -3.23 118.95 114.89 1d2b s ARG 37 Ca 0.02 0.45 0.10 0.00 -0.13 0.00 0.00 55.73 56.16 1d2b s ARG 37 Cb 0.00 -0.10 -0.03 0.00 -1.56 0.00 0.00 34.95 33.26 1d2b s ARG 37 CO 0.01 -0.14 -0.26 0.71 -0.81 0.00 0.00 175.30 174.80 1d2b s TYR 38 N 1.05 2.31 -0.13 5.12 2.02 -0.95 -1.07 117.35 125.69 1d2b s TYR 38 Ca -0.08 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.16 1d2b s TYR 38 Cb -0.09 -1.35 -0.04 0.00 -0.40 0.00 0.00 41.96 40.08 1d2b s TYR 38 CO -0.06 0.18 0.08 -1.21 -1.57 0.00 0.00 175.55 172.97 1d2b s GLU 39 N -1.45 3.50 -0.07 -0.62 8.01 -1.26 -1.67 118.70 125.14 1d2b s GLU 39 Ca 0.12 -0.27 -0.06 0.00 0.01 0.00 0.00 54.97 54.77 1d2b s GLU 39 Cb -0.10 -3.10 0.02 0.00 -4.31 0.00 0.00 34.13 26.65 1d2b s GLU 39 CO 0.03 0.59 0.18 0.96 0.01 0.00 0.00 175.26 177.03 1d2b s ILE 40 N -0.53 -0.01 -1.13 -1.63 -4.36 -0.27 -1.72 121.20 111.56 1d2b s ILE 40 Ca 0.11 0.04 -0.22 0.00 -0.26 0.00 0.00 60.65 60.31 1d2b s ILE 40 Cb -0.12 -0.27 -0.01 0.00 1.25 0.00 0.00 42.46 43.32 1d2b s ILE 40 CO 0.02 0.01 1.80 -0.75 0.24 0.00 0.00 174.94 176.26 1d2b s LYS 41 N 0.33 3.11 0.19 0.37 2.36 2.46 -4.65 119.74 123.92 1d2b s LYS 41 Ca -0.02 -1.20 -0.33 0.00 -2.55 0.00 0.00 55.97 51.87 1d2b s LYS 41 Cb -0.03 -5.31 -0.13 0.00 -1.05 0.00 0.00 37.83 31.31 1d2b s LYS 41 CO -0.01 -3.06 1.65 -0.12 1.55 0.00 0.00 175.35 175.35 1d2b n MET 42 N 8.55 2.48 -0.03 4.03 0.00 -1.26 0.21 117.12 131.10 1d2b n MET 42 Ca 0.43 0.89 -0.02 0.00 -0.00 0.00 0.00 57.70 59.00 1d2b n MET 42 Cb 0.47 -2.70 -0.01 0.00 0.00 0.00 0.00 33.22 30.99 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 3.60 0.52 -3.69 1.12 -1.04 0.12 -4.84 114.28 110.06 1d2b n THR 43 Ca 0.16 0.40 -0.14 0.00 -2.04 0.00 0.00 64.05 62.42 1d2b n THR 43 Cb 0.32 -1.83 -0.08 0.00 -1.82 0.00 0.00 70.33 66.92 1d2b n THR 43 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1d2b s LYS 44 N -1.46 0.70 0.04 -2.82 1.02 -0.55 -5.02 119.74 111.65 1d2b s LYS 44 Ca -0.06 0.31 -0.17 0.00 0.02 0.00 0.00 55.97 56.07 1d2b s LYS 44 Cb 0.01 0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.58 1d2b s LYS 44 CO 0.08 -0.16 0.49 0.00 -0.92 0.00 0.00 175.35 174.85 1d2b s MET 45 N -0.54 4.07 -0.04 1.68 0.23 -1.26 -0.11 119.30 123.32 1d2b s MET 45 Ca -0.07 0.59 0.07 0.00 -1.03 0.00 0.00 55.69 55.25 1d2b s MET 45 Cb -0.03 -3.23 0.16 0.00 -1.53 0.00 0.00 34.83 30.19 1d2b s MET 45 CO 0.04 0.66 1.11 0.66 -2.03 0.00 0.00 175.02 175.46 1d2b n TYR 46 N 1.76 0.15 0.00 3.16 4.02 0.29 -4.91 117.16 121.62 1d2b n TYR 46 Ca -0.12 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.13 1d2b n TYR 46 Cb 0.51 -0.09 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 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 -0.54 0.00 0.00 -0.72 4.81 -0.01 -4.82 118.16 116.87 1d2b n LYS 47 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1d2b n LYS 47 Cb 0.41 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.46 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 -0.47 0.35 3.14 0.00 -1.26 -0.58 105.19 106.37 1d2b n GLY 48 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.99 -0.40 1.61 0.04 -1.94 1.73 116.94 118.97 1d2b h PHE 49 Ca 0.00 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 1d2b h PHE 49 Cb 0.00 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 1d2b h PHE 49 CO 0.00 0.11 0.19 -0.56 -0.60 0.00 0.00 178.31 177.45 1d2b h GLN 50 N 0.61 0.55 0.02 1.51 -0.00 -1.97 0.59 115.11 116.42 1d2b h GLN 50 Ca 0.62 -0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 59.21 1d2b h GLN 50 Cb 1.16 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 28.53 1d2b h GLN 50 CO -0.43 0.43 -0.01 0.00 -0.00 0.00 0.00 178.83 178.82 1d2b h ALA 51 N 1.66 -0.03 -3.00 0.06 0.00 -0.50 -3.42 119.26 114.03 1d2b h ALA 51 Ca 0.14 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1d2b h ALA 51 Cb 0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1d2b h ALA 51 CO -0.02 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.43 1d2b n LEU 52 N -4.70 0.00 0.00 0.00 4.77 0.54 -4.93 117.00 112.68 1d2b n LEU 52 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1d2b n LEU 52 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1d2b n LEU 52 CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1d2b n GLY 53 N 1.77 3.09 3.37 -0.72 0.00 0.20 -4.95 105.19 107.95 1d2b n GLY 53 Ca 0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 5.90 0.00 1.61 2.15 -1.26 -4.95 116.67 120.12 1d2b s ASP 54 Ca 0.00 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.81 1d2b s ASP 54 Cb 0.00 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1d2b s ASP 54 CO 0.00 -0.50 0.25 0.00 -0.17 0.00 0.00 175.17 174.75 1d2b n ALA 55 N 5.07 0.29 -1.59 3.66 0.00 -1.26 -0.57 120.51 126.10 1d2b n ALA 55 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1d2b n ALA 55 Cb 0.45 -0.21 0.20 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.75 3.83 -0.41 0.00 0.00 -1.26 -4.69 120.51 117.23 1d2b n ALA 56 Ca 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 53.44 50.11 1d2b n ALA 56 Cb 0.11 -0.42 0.23 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.11 4.03 -3.34 0.00 -0.08 0.26 -4.59 116.55 111.72 1d2b n ASP 57 Ca 0.22 -2.82 -0.25 0.00 -1.51 0.00 0.00 54.79 50.43 1d2b n ASP 57 Cb 0.76 -0.67 -0.09 0.00 2.34 0.00 0.00 41.12 43.46 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 -2.25 0.21 -0.52 5.18 1.09 -1.26 -4.90 121.20 118.75 1d2b s ILE 58 Ca 0.39 -2.46 0.07 0.00 -1.10 0.00 0.00 60.65 57.54 1d2b s ILE 58 Cb 0.31 -1.14 -0.02 0.00 -1.06 0.00 0.00 42.46 40.55 1d2b s ILE 58 CO 0.10 -1.12 0.44 0.54 -0.10 0.00 0.00 174.94 174.79 1d2b n ARG 59 N 2.91 3.09 -3.84 2.79 1.74 -1.26 -4.54 116.66 117.55 1d2b n ARG 59 Ca 0.28 -0.34 -0.12 0.00 -0.77 0.00 0.00 57.85 56.90 1d2b n ARG 59 Cb 0.48 -0.92 -0.11 0.00 -1.02 0.00 0.00 32.46 30.89 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 -1.22 -0.09 -0.21 -1.55 0.08 -1.26 -1.11 117.98 112.62 1d2b s PHE 60 Ca 0.05 0.20 -0.04 0.00 0.12 0.00 0.00 56.93 57.26 1d2b s PHE 60 Cb 0.05 0.02 -0.01 0.00 -0.57 0.00 0.00 43.02 42.50 1d2b s PHE 60 CO 0.20 -0.17 -0.03 0.14 -0.10 0.00 0.00 175.22 175.25 1d2b s VAL 61 N -0.54 3.54 -0.38 -0.44 -7.23 -0.67 -4.15 120.40 110.53 1d2b s VAL 61 Ca -0.06 -0.45 -0.08 0.00 -1.81 0.00 0.00 61.98 59.58 1d2b s VAL 61 Cb -0.04 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.36 1d2b s VAL 61 CO 0.01 0.43 0.20 -0.31 -0.31 0.00 0.00 175.10 175.11 1d2b s TYR 62 N 1.25 3.31 0.13 2.82 1.51 0.54 -2.24 117.35 124.67 1d2b s TYR 62 Ca 0.03 -1.44 0.11 0.00 -1.01 0.00 0.00 57.07 54.76 1d2b s TYR 62 Cb -0.14 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 1d2b s TYR 62 CO -0.01 -0.78 -0.27 -0.08 -1.11 0.00 0.00 175.55 173.30 1d2b s THR 63 N 1.42 2.25 0.46 -0.71 -1.32 -1.20 -3.14 115.64 113.41 1d2b s THR 63 Ca 0.01 -1.78 -0.24 0.00 -1.21 0.00 0.00 61.69 58.47 1d2b s THR 63 Cb -0.21 -2.00 -0.07 0.00 -1.51 0.00 0.00 72.50 68.71 1d2b s THR 63 CO 0.03 0.07 1.37 -2.84 -2.21 0.00 0.00 174.62 171.04 1d2b s PRO 64 N -2.11 3.63 -0.64 7.08 0.02 -1.25 0.26 135.00 141.98 1d2b s PRO 64 Ca 0.14 2.28 0.03 0.00 0.02 0.00 0.00 61.00 63.48 1d2b s PRO 64 Cb -0.10 -2.57 0.36 0.00 0.02 0.00 0.00 34.50 32.21 1d2b s PRO 64 CO 0.06 -0.82 1.27 0.00 -0.33 0.00 0.00 177.00 177.18 1d2b n ALA 65 N -0.33 5.24 -2.01 -1.55 0.00 7.39 -3.09 120.51 126.17 1d2b n ALA 65 Ca 0.06 -4.51 -0.18 0.00 0.00 0.00 0.00 53.44 48.81 1d2b n ALA 65 Cb 0.43 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -3.71 2.76 0.07 0.00 -1.94 -1.18 -3.97 119.30 111.33 1d2b s MET 66 Ca 0.47 -1.19 -0.34 0.00 -1.71 0.00 0.00 55.69 52.92 1d2b s MET 66 Cb 0.32 -2.71 -0.18 0.00 2.01 0.00 0.00 34.83 34.27 1d2b s MET 66 CO -0.19 -0.36 1.52 1.05 -0.01 0.00 0.00 175.02 177.03 1d2b h GLU 67 N 0.53 -1.06 -1.12 2.03 9.09 -1.97 -3.09 114.58 118.99 1d2b h GLU 67 Ca -0.40 0.07 -0.69 0.00 0.05 0.00 0.00 59.36 58.39 1d2b h GLU 67 Cb 1.28 0.24 -0.29 0.00 -1.65 0.00 0.00 28.75 28.33 1d2b h GLU 67 CO 0.46 -0.71 0.87 -1.13 0.05 0.00 0.00 179.01 178.55 1d2b n SER 68 N -5.36 7.63 -4.91 3.06 3.41 -1.26 -4.97 113.62 111.23 1d2b n SER 68 Ca -0.13 -3.80 -0.21 0.00 -0.26 0.00 0.00 58.87 54.47 1d2b n SER 68 Cb 0.47 -0.98 0.08 0.00 -0.26 0.00 0.00 64.21 63.52 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1d2b s VAL 69 N -4.86 2.07 -0.21 -3.33 0.11 -1.17 -2.35 120.40 110.65 1d2b s VAL 69 Ca 0.63 -0.87 -0.16 0.00 -2.93 0.00 0.00 61.98 58.65 1d2b s VAL 69 Cb 0.50 -2.19 -0.11 0.00 -1.53 0.00 0.00 36.38 33.04 1d2b s VAL 69 CO -0.06 0.00 -0.14 0.00 -3.33 0.00 0.00 175.10 171.56 1d2b n GLY 71 N 1.42 1.63 2.80 0.00 0.00 -1.18 -4.18 105.19 105.68 1d2b n GLY 71 Ca -0.31 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.15 1.61 6.14 -1.26 -3.50 117.35 118.14 1d2b s TYR 72 Ca 0.00 -0.22 -0.23 0.00 0.64 0.00 0.00 57.07 57.26 1d2b s TYR 72 Cb 0.00 0.20 -0.08 0.00 0.42 0.00 0.00 41.96 42.50 1d2b s TYR 72 CO 0.00 -0.79 1.93 -0.06 0.64 0.00 0.00 175.55 177.27 1d2b s PHE 73 N 1.19 1.95 -0.39 4.97 0.08 -1.26 -4.89 117.98 119.63 1d2b s PHE 73 Ca 0.24 0.44 -0.20 0.00 0.12 0.00 0.00 56.93 57.52 1d2b s PHE 73 Cb 0.04 -4.02 0.01 0.00 -0.57 0.00 0.00 43.02 38.48 1d2b s PHE 73 CO -0.08 -1.29 0.63 -1.58 -0.10 0.00 0.00 175.22 172.80 1d2b s HIS 74 N 10.74 3.12 -0.98 0.36 5.65 -1.26 -4.97 115.29 127.95 1d2b s HIS 74 Ca 0.68 0.18 -0.01 0.00 0.25 0.00 0.00 55.06 56.17 1d2b s HIS 74 Cb -0.01 -3.22 0.32 0.00 -1.18 0.00 0.00 32.58 28.49 1d2b s HIS 74 CO 0.11 -0.72 1.67 0.54 -0.65 0.00 0.00 174.74 175.69 1d2b n ARG 75 N 6.12 5.04 -3.64 2.88 3.00 -1.26 -4.93 116.66 123.87 1d2b n ARG 75 Ca -0.02 -4.68 -0.04 0.00 -0.01 0.00 0.00 57.85 53.11 1d2b n ARG 75 Cb 0.48 -2.45 -0.06 0.00 0.00 0.00 0.00 32.46 30.44 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 -1.65 -0.99 0.00 0.55 0.01 -1.26 -5.01 113.70 105.35 1d2b s SER 76 Ca 0.39 1.49 0.18 0.00 1.31 0.00 0.00 55.95 59.32 1d2b s SER 76 Cb 0.18 1.73 0.25 0.00 0.21 0.00 0.00 66.02 68.39 1d2b s SER 76 CO -0.10 -0.22 1.17 0.00 0.41 0.00 0.00 173.24 174.50 1d2b n HIS 77 N 4.73 0.23 -2.27 2.43 1.44 -1.26 -4.96 115.22 115.56 1d2b n HIS 77 Ca -0.17 -0.15 -0.43 0.00 -2.01 0.00 0.00 57.72 54.96 1d2b n HIS 77 Cb 0.55 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.63 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 -1.34 6.45 0.09 4.39 3.04 -1.26 -4.88 114.94 121.42 1d2b s ASN 78 Ca 0.26 1.28 0.27 0.00 0.04 0.00 0.00 52.86 54.71 1d2b s ASN 78 Cb 0.16 -2.54 1.04 0.00 -1.54 0.00 0.00 41.25 38.38 1d2b s ASN 78 CO 0.23 -1.26 1.85 -2.11 -3.04 0.00 0.00 177.10 172.78 1d2b n ARG 79 N 7.67 0.11 -0.12 0.43 -4.01 -1.26 -3.03 116.66 116.45 1d2b n ARG 79 Ca 0.17 0.10 0.06 0.00 -1.04 0.00 0.00 57.85 57.15 1d2b n ARG 79 Cb 0.46 -1.63 0.12 0.00 -3.04 0.00 0.00 32.46 28.38 1d2b n ARG 79 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 1d2b n SER 80 N -1.83 2.65 -4.59 2.89 2.88 -1.26 -4.69 113.62 109.67 1d2b n SER 80 Ca 0.06 -1.81 -0.40 0.00 -1.33 0.00 0.00 58.87 55.39 1d2b n SER 80 Cb 0.37 -0.16 -0.08 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.03 3.89 1.04 -1.46 2.56 -1.17 -5.06 118.70 117.47 1d2b s GLU 81 Ca 0.22 0.11 -0.13 0.00 0.00 0.00 0.00 54.97 55.17 1d2b s GLU 81 Cb 0.13 -3.71 0.21 0.00 2.00 0.00 0.00 34.13 32.75 1d2b s GLU 81 CO 0.17 -0.46 1.08 -1.21 -0.56 0.00 0.00 175.26 174.29 1d2b s GLU 82 N 2.33 0.09 0.34 4.30 2.02 -1.26 -4.34 118.70 122.18 1d2b s GLU 82 Ca 0.20 0.51 -0.16 0.00 0.02 0.00 0.00 54.97 55.53 1d2b s GLU 82 Cb -0.16 -1.70 0.03 0.00 0.10 0.00 0.00 34.13 32.41 1d2b s GLU 82 CO 0.11 -2.96 0.72 -0.06 0.02 0.00 0.00 175.26 173.09 1d2b s PHE 83 N -2.90 0.10 -0.11 1.61 0.08 0.57 -4.38 117.98 112.95 1d2b s PHE 83 Ca 0.66 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 57.09 1d2b s PHE 83 Cb -0.19 0.68 0.01 0.00 -0.57 0.00 0.00 43.02 42.94 1d2b s PHE 83 CO 0.59 -1.38 -0.21 -1.17 -0.10 0.00 0.00 175.22 172.94 1d2b s LEU 84 N -3.03 1.99 -0.27 -0.37 1.98 0.29 -1.50 118.68 117.78 1d2b s LEU 84 Ca 0.16 -0.52 0.00 0.00 -2.89 0.00 0.00 54.13 50.88 1d2b s LEU 84 Cb -0.05 -1.30 0.08 0.00 0.66 0.00 0.00 46.19 45.58 1d2b s LEU 84 CO 0.10 0.10 0.03 -0.63 -1.89 0.00 0.00 176.35 174.07 1d2b s ILE 85 N 0.58 1.22 -0.33 6.68 -1.09 0.35 -2.09 121.20 126.52 1d2b s ILE 85 Ca -0.14 -1.31 -0.16 0.00 -2.23 0.00 0.00 60.65 56.81 1d2b s ILE 85 Cb -0.17 -1.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.97 1d2b s ILE 85 CO 0.04 -0.38 0.39 0.00 -1.23 0.00 0.00 174.94 173.76 1d2b s ALA 86 N 1.49 3.50 -0.25 9.38 0.00 -0.50 -0.35 121.76 135.02 1d2b s ALA 86 Ca 0.03 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.60 1d2b s ALA 86 Cb -0.18 -2.84 0.11 0.00 0.00 0.00 0.00 23.12 20.20 1d2b s ALA 86 CO -0.13 -1.05 0.93 0.20 0.00 0.00 0.00 175.76 175.71 1d2b s GLY 87 N 1.73 -0.28 1.00 0.00 0.00 0.74 -4.37 107.32 106.14 1d2b s GLY 87 Ca 0.13 2.38 -0.16 0.00 0.00 0.00 0.00 44.72 47.08 1d2b s GLY 87 CO 0.12 1.69 1.21 0.54 0.00 0.00 0.00 173.10 176.66 1d2b s LYS 88 N 0.06 0.38 -0.16 2.90 -0.14 -0.96 0.22 119.74 122.04 1d2b s LYS 88 Ca 0.01 -0.11 -0.00 0.00 -1.36 0.00 0.00 55.97 54.50 1d2b s LYS 88 Cb -0.04 -1.79 -0.01 0.00 -1.68 0.00 0.00 37.83 34.31 1d2b s LYS 88 CO -0.03 -2.64 -0.14 -0.51 -0.76 0.00 0.00 175.35 171.28 1d2b s LEU 89 N -6.17 2.58 -0.34 3.17 1.43 -1.26 0.19 118.68 118.27 1d2b s LEU 89 Ca 0.70 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 1d2b s LEU 89 Cb -0.08 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.57 1d2b s LEU 89 CO 0.54 0.09 0.15 -1.58 0.23 0.00 0.00 176.35 175.77 1d2b s GLN 90 N 0.78 2.86 -1.02 1.70 2.00 0.21 -4.69 119.66 121.50 1d2b s GLN 90 Ca -0.05 -1.03 -0.12 0.00 -2.00 0.00 0.00 55.36 52.16 1d2b s GLN 90 Cb -0.15 -3.57 0.11 0.00 0.80 0.00 0.00 33.01 30.20 1d2b s GLN 90 CO 0.01 -0.61 0.33 -0.25 -0.50 0.00 0.00 175.29 174.26 1d2b n ASP 91 N 4.92 -1.82 0.00 6.67 9.92 -1.26 -0.75 116.55 134.23 1d2b n ASP 91 Ca -0.13 -0.39 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 1d2b n ASP 91 Cb 0.46 -1.61 0.00 0.00 -0.64 0.00 0.00 41.12 39.33 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2b n GLY 92 N -0.85 0.95 3.34 0.44 0.00 -1.26 -5.10 105.19 102.72 1d2b n GLY 92 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 2.20 0.65 0.99 2.01 0.07 -5.06 118.68 119.54 1d2b s LEU 93 Ca 0.00 -0.62 -0.16 0.00 0.01 0.00 0.00 54.13 53.36 1d2b s LEU 93 Cb 0.00 -1.23 -0.01 0.00 0.01 0.00 0.00 46.19 44.96 1d2b s LEU 93 CO 0.00 0.23 1.13 -0.22 1.01 0.00 0.00 176.35 178.50 1d2b s LEU 94 N -1.41 3.46 -0.02 1.79 2.96 -1.26 0.64 118.68 124.84 1d2b s LEU 94 Ca 0.12 2.11 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1d2b s LEU 94 Cb -0.10 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 42.03 1d2b s LEU 94 CO 0.03 -1.66 0.05 -1.00 -1.32 0.00 0.00 176.35 172.45 1d2b s HIS 95 N -2.14 -0.05 0.30 5.38 3.76 0.13 -0.34 115.29 122.33 1d2b s HIS 95 Ca 0.70 0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 55.60 1d2b s HIS 95 Cb -0.23 0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.49 1d2b s HIS 95 CO 0.39 -0.03 0.63 0.96 -0.85 0.00 0.00 174.74 175.84 1d2b s ILE 96 N 0.08 0.00 0.14 0.60 -0.00 -1.19 -2.27 121.20 118.57 1d2b s ILE 96 Ca -0.00 -1.20 -0.19 0.00 -0.00 0.00 0.00 60.65 59.25 1d2b s ILE 96 Cb -0.01 -2.32 0.05 0.00 -0.00 0.00 0.00 42.46 40.19 1d2b s ILE 96 CO -0.00 0.00 0.49 0.42 -0.00 0.00 0.00 174.94 175.85 1d2b s THR 97 N -3.53 0.04 -2.00 8.37 -4.23 -1.23 -4.31 115.64 108.74 1d2b s THR 97 Ca 0.18 -0.31 0.10 0.00 -1.18 0.00 0.00 61.69 60.47 1d2b s THR 97 Cb -0.03 -1.09 0.29 0.00 1.34 0.00 0.00 72.50 73.00 1d2b s THR 97 CO 0.10 -0.17 1.09 1.07 -0.54 0.00 0.00 174.62 176.17 1d2b n THR 98 N -0.29 0.00 -0.47 3.99 5.66 -1.23 -1.15 114.28 120.79 1d2b n THR 98 Ca -0.16 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.88 1d2b n THR 98 Cb 0.64 -0.46 0.10 0.00 -1.55 0.00 0.00 70.33 69.06 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s SER 100 N -1.66 4.25 -0.41 0.00 0.15 -0.30 -4.55 113.70 111.18 1d2b s SER 100 Ca 0.19 -0.74 -0.27 0.00 0.70 0.00 0.00 55.95 55.83 1d2b s SER 100 Cb 0.15 -0.68 -0.05 0.00 -1.71 0.00 0.00 66.02 63.73 1d2b s SER 100 CO 0.05 0.03 2.17 0.12 1.20 0.00 0.00 173.24 176.80 1d2b s PHE 101 N -2.28 1.31 -0.26 3.44 2.19 -1.26 -4.70 117.98 116.42 1d2b s PHE 101 Ca 0.30 1.00 -0.01 0.00 0.33 0.00 0.00 56.93 58.55 1d2b s PHE 101 Cb -0.06 -3.85 0.13 0.00 -1.31 0.00 0.00 43.02 37.93 1d2b s PHE 101 CO 0.18 -3.01 0.33 0.08 1.83 0.00 0.00 175.22 174.63 1d2b s VAL 102 N 9.76 -0.50 0.27 3.12 1.01 -1.26 -1.41 120.40 131.39 1d2b s VAL 102 Ca 0.91 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.43 1d2b s VAL 102 Cb -0.22 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1d2b s VAL 102 CO 0.29 -0.27 0.77 0.00 0.00 0.00 0.00 175.10 175.89 1d2b s ALA 103 N 2.45 -1.23 0.05 5.51 0.00 -0.89 -4.99 121.76 122.66 1d2b s ALA 103 Ca 0.10 -0.31 -0.33 0.00 0.00 0.00 0.00 51.96 51.42 1d2b s ALA 103 Cb -0.14 0.79 -0.12 0.00 0.00 0.00 0.00 23.12 23.65 1d2b s ALA 103 CO -0.23 -1.03 1.78 -2.30 0.00 0.00 0.00 175.76 173.97 1d2b n PRO 104 N -0.48 2.33 -0.08 0.00 -0.02 -1.26 0.11 135.00 135.60 1d2b n PRO 104 Ca -0.05 0.85 -0.07 0.00 -2.02 0.00 0.00 63.50 62.21 1d2b n PRO 104 Cb 0.59 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 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 8.03 -0.57 0.00 6.00 -0.00 -1.77 0.14 115.95 127.79 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 1.25 0.30 0.00 0.00 -0.00 0.00 0.00 29.16 30.71 1d2b h TRP 105 CO 0.78 -0.30 0.00 0.09 -0.00 0.00 0.00 178.44 179.01 1d2b n ASN 106 N -5.37 0.00 0.00 2.65 3.02 -1.26 0.91 115.26 115.21 1d2b n ASN 106 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1d2b n ASN 106 Cb 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1d2b n ASN 106 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1d2b n SER 107 N -0.15 0.07 -4.83 6.41 7.64 0.49 -5.06 113.62 118.19 1d2b n SER 107 Ca 0.00 -0.52 -0.31 0.00 1.01 0.00 0.00 58.87 59.05 1d2b n SER 107 Cb 0.00 0.90 0.04 0.00 -1.01 0.00 0.00 64.21 64.14 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 3.20 -0.25 -3.43 1.02 0.26 -4.99 118.68 112.68 1d2b s LEU 108 Ca 0.00 1.61 -0.29 0.00 0.02 0.00 0.00 54.13 55.47 1d2b s LEU 108 Cb 0.00 -4.50 -0.01 0.00 0.02 0.00 0.00 46.19 41.70 1d2b s LEU 108 CO 0.00 -1.31 1.38 -0.44 0.02 0.00 0.00 176.35 175.99 1d2b s SER 109 N -3.71 6.65 0.39 2.29 0.01 -1.26 -4.77 113.70 113.30 1d2b s SER 109 Ca 0.58 1.41 0.35 0.00 1.31 0.00 0.00 55.95 59.61 1d2b s SER 109 Cb -0.14 -2.54 1.23 0.00 0.21 0.00 0.00 66.02 64.79 1d2b s SER 109 CO 0.52 -1.06 1.12 0.00 0.41 0.00 0.00 173.24 174.23 1d2b n LEU 110 N 7.62 0.01 0.09 2.44 -0.00 -1.26 0.62 117.00 126.53 1d2b n LEU 110 Ca 0.16 0.74 -0.19 0.00 -0.00 0.00 0.00 56.01 56.71 1d2b n LEU 110 Cb 0.46 -0.37 -0.11 0.00 -0.00 0.00 0.00 43.42 43.40 1d2b n LEU 110 CO 0.62 -0.74 -0.01 0.00 -0.00 0.00 0.00 177.39 177.26 1d2b h ALA 111 N 0.75 0.09 -0.01 1.47 0.00 -1.99 -2.75 119.26 116.82 1d2b h ALA 111 Ca 0.67 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1d2b h ALA 111 Cb 2.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.52 1d2b h ALA 111 CO -0.03 0.77 -0.00 0.94 0.00 0.00 0.00 179.25 180.92 1d2b n GLN 112 N -3.74 1.33 0.04 0.00 7.27 2.73 0.19 117.38 125.20 1d2b n GLN 112 Ca -0.11 -0.50 -0.19 0.00 0.07 0.00 0.00 57.00 56.26 1d2b n GLN 112 Cb 0.96 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 31.98 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 1.23 0.31 0.00 3.69 9.65 0.34 -1.89 114.38 127.70 1d2b h ARG 113 Ca 0.00 -0.49 -0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1d2b h ARG 113 Cb 0.27 0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1d2b h ARG 113 CO 0.00 1.21 -0.00 0.07 2.80 0.00 0.00 179.97 184.05 1d2b h ARG 114 N -0.35 -0.00 -0.73 0.20 -0.00 -1.13 -3.24 114.38 109.13 1d2b h ARG 114 Ca -0.13 0.00 0.15 0.00 -0.00 0.00 0.00 59.98 60.00 1d2b h ARG 114 Cb 1.57 0.00 -0.13 0.00 -0.00 0.00 0.00 29.97 31.41 1d2b h ARG 114 CO 0.14 0.75 -0.12 0.78 -0.00 0.00 0.00 179.97 181.52 1d2b h GLY 115 N -0.99 0.62 0.24 0.08 0.00 0.19 0.62 103.07 103.83 1d2b h GLY 115 Ca -0.00 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.55 1d2b h GLY 115 CO 0.00 -0.28 -0.38 0.74 0.00 0.00 0.00 176.54 176.62 1d2b h PHE 116 N 0.03 -1.07 -0.84 5.60 -1.00 -1.45 13.20 116.94 131.41 1d2b h PHE 116 Ca 0.37 0.03 0.24 0.00 2.81 0.00 0.00 57.97 61.42 1d2b h PHE 116 Cb 0.59 0.47 -0.03 0.00 3.61 0.00 0.00 35.95 40.58 1d2b h PHE 116 CO -0.52 -0.47 0.84 0.00 -1.61 0.00 0.00 178.31 176.54 1d2b h THR 117 N -0.56 0.22 0.00 -1.55 1.03 0.01 -3.33 112.91 108.73 1d2b h THR 117 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 1d2b h THR 117 Cb 0.63 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 68.06 1d2b h THR 117 CO -0.28 0.00 -0.01 2.29 -0.01 0.00 0.00 175.52 177.51 1d2b n LYS 118 N -3.63 0.02 -0.02 0.00 2.85 0.25 -4.99 118.16 112.63 1d2b n LYS 118 Ca 0.18 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.32 1d2b n LYS 118 Cb 1.12 -0.51 -0.08 0.00 -0.65 0.00 0.00 35.03 34.91 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 1.27 -0.34 0.58 1.35 2.91 -3.34 112.91 115.34 1d2b h THR 119 Ca 0.00 -0.86 -0.06 0.00 -0.55 0.00 0.00 66.41 64.95 1d2b h THR 119 Cb 0.01 1.71 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 1d2b h THR 119 CO 0.00 0.24 0.07 -1.22 -0.25 0.00 0.00 175.52 174.36 1d2b n TYR 120 N -4.83 1.18 -0.07 4.73 4.02 -1.04 -0.62 117.16 120.52 1d2b n TYR 120 Ca -0.07 -0.54 -0.12 0.00 -0.01 0.00 0.00 57.90 57.16 1d2b n TYR 120 Cb 0.21 -0.38 -0.15 0.00 -0.02 0.00 0.00 39.34 39.01 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 0.18 1.51 0.00 -0.72 -2.24 -1.25 -3.62 114.28 108.14 1d2b n THR 121 Ca 0.18 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1d2b n THR 121 Cb 0.81 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.98 0.00 -2.25 2.28 0.31 -1.25 -4.79 118.33 109.65 1d2b n VAL 122 Ca -0.29 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 63.98 1d2b n VAL 122 Cb 1.09 -0.06 0.07 0.00 -0.91 0.00 0.00 33.84 34.03 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 2.41 3.84 3.37 2.92 0.00 0.21 -4.98 105.19 112.95 1d2b n GLY 123 Ca 0.00 -1.59 -0.34 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 7.01 1.62 0.00 0.00 0.28 -1.26 -4.11 120.64 124.17 1d2b n GLU 125 Ca 0.35 -4.12 0.00 0.00 -0.16 0.00 0.00 57.16 53.24 1d2b n GLU 125 Cb 0.35 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 31.24 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12