#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 -0.04 -2.51 0.00 5.66 -1.26 -4.63 114.28 111.50 1d2b n THR 2 Ca 0.00 -0.63 -0.11 0.00 -3.05 0.00 0.00 64.05 60.26 1d2b n THR 2 Cb 0.00 -2.29 0.05 0.00 -1.55 0.00 0.00 70.33 66.54 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 -1.22 4.26 -0.43 0.00 -7.23 -1.26 -4.51 120.40 110.01 1d2b s VAL 4 Ca 0.31 -1.13 -0.38 0.00 -1.81 0.00 0.00 61.98 58.96 1d2b s VAL 4 Cb -0.02 -3.46 -0.16 0.00 0.56 0.00 0.00 36.38 33.30 1d2b s VAL 4 CO 0.20 -0.22 1.80 -2.65 -0.31 0.00 0.00 175.10 173.92 1d2b n PRO 5 N -1.47 0.00 -3.47 4.82 -0.02 -1.26 -4.87 135.00 128.73 1d2b n PRO 5 Ca -0.03 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.07 1d2b n PRO 5 Cb 0.58 -1.29 -0.06 0.00 -0.02 0.00 0.00 33.50 32.71 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 4.95 3.94 -0.21 0.52 0.04 -1.26 -4.98 135.00 138.00 1d2b s PRO 6 Ca 1.02 0.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.29 1d2b s PRO 6 Cb -1.29 -3.18 -0.09 0.00 0.04 0.00 0.00 34.50 29.98 1d2b s PRO 6 CO 0.58 0.66 0.68 0.72 0.04 0.00 0.00 177.00 179.68 1d2b n HIS 7 N 1.65 0.74 0.30 0.56 8.25 -1.26 -4.47 115.22 120.99 1d2b n HIS 7 Ca -0.12 0.50 0.20 0.00 -0.26 0.00 0.00 57.72 58.03 1d2b n HIS 7 Cb 0.52 -0.96 0.90 0.00 1.12 0.00 0.00 29.99 31.57 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 2.12 0.00 0.52 -0.41 0.13 -1.95 0.83 132.00 133.24 1d2b h PRO 8 Ca -0.19 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.91 1d2b h PRO 8 Cb 0.59 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 1d2b h PRO 8 CO 0.42 0.00 -0.31 0.37 -0.23 0.00 0.00 178.00 178.25 1d2b h GLN 9 N 0.00 -0.75 -0.16 0.86 -0.00 -1.87 1.44 115.11 114.64 1d2b h GLN 9 Ca 0.00 0.05 0.01 0.00 -0.00 0.00 0.00 58.65 58.71 1d2b h GLN 9 Cb 0.30 0.17 -0.02 0.00 0.00 0.00 0.00 27.48 27.94 1d2b h GLN 9 CO 0.00 -0.50 0.06 1.15 0.00 0.00 0.00 178.83 179.54 1d2b h THR 10 N -0.78 0.97 -0.74 2.39 2.02 -1.64 -0.55 112.91 114.59 1d2b h THR 10 Ca -0.07 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1d2b h THR 10 Cb 0.62 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 1d2b h THR 10 CO 0.08 0.03 0.44 0.00 0.37 0.00 0.00 175.52 176.43 1d2b h ALA 11 N 1.09 0.94 0.54 6.16 0.00 0.82 0.25 119.26 129.06 1d2b h ALA 11 Ca 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1d2b h ALA 11 Cb 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.53 1d2b h ALA 11 CO -0.06 0.41 -0.26 0.35 0.00 0.00 0.00 179.25 179.69 1d2b h PHE 12 N 1.01 -0.67 0.00 0.00 3.57 0.22 -2.83 116.94 118.23 1d2b h PHE 12 Ca 0.26 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.66 1d2b h PHE 12 Cb -0.03 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1d2b h PHE 12 CO -0.01 -0.42 -0.42 0.00 -2.23 0.00 0.00 178.31 175.23 1d2b h ASN 14 N 0.00 0.00 -4.03 0.00 2.35 -0.63 -3.46 115.58 109.81 1d2b h ASN 14 Ca -0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1d2b h ASN 14 Cb 0.81 0.00 0.08 0.00 0.05 0.00 0.00 38.32 39.25 1d2b h ASN 14 CO 0.05 0.90 0.48 -0.44 -1.65 0.00 0.00 177.43 176.78 1d2b s SER 15 N -6.44 5.90 0.00 5.81 0.01 -1.07 -4.95 113.70 112.96 1d2b s SER 15 Ca -0.00 2.32 0.23 0.00 1.31 0.00 0.00 55.95 59.80 1d2b s SER 15 Cb 0.09 -2.60 0.30 0.00 0.21 0.00 0.00 66.02 64.02 1d2b s SER 15 CO 0.81 -1.10 1.30 0.47 0.41 0.00 0.00 173.24 175.13 1d2b n ASP 16 N -0.83 3.17 -3.44 2.44 9.92 0.27 -4.87 116.55 123.20 1d2b n ASP 16 Ca 0.09 -1.97 0.01 0.00 -0.53 0.00 0.00 54.79 52.40 1d2b n ASP 16 Cb 0.49 -0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.80 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 -1.67 -0.57 -0.04 0.64 1.43 0.75 -4.45 118.68 114.76 1d2b s LEU 17 Ca 0.32 0.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1d2b s LEU 17 Cb 0.21 1.67 0.03 0.00 0.03 0.00 0.00 46.19 48.12 1d2b s LEU 17 CO 0.30 -0.11 -0.01 -0.69 0.23 0.00 0.00 176.35 176.06 1d2b s VAL 18 N 2.28 0.30 0.00 -1.59 1.01 -0.83 0.12 120.40 121.70 1d2b s VAL 18 Ca -0.04 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 1d2b s VAL 18 Cb -0.06 -0.40 0.04 0.00 0.00 0.00 0.00 36.38 35.96 1d2b s VAL 18 CO -0.17 0.20 0.47 0.27 0.00 0.00 0.00 175.10 175.86 1d2b s ILE 19 N 1.29 0.04 -0.17 2.22 -4.36 0.18 0.60 121.20 120.99 1d2b s ILE 19 Ca -0.06 -0.31 -0.14 0.00 -0.26 0.00 0.00 60.65 59.88 1d2b s ILE 19 Cb -0.13 -0.87 -0.04 0.00 1.25 0.00 0.00 42.46 42.66 1d2b s ILE 19 CO -0.02 -0.17 0.32 0.00 0.24 0.00 0.00 174.94 175.31 1d2b s ARG 20 N -1.80 4.23 0.23 0.37 1.70 0.15 -0.30 118.95 123.52 1d2b s ARG 20 Ca -0.09 0.12 -0.22 0.00 -0.47 0.00 0.00 55.73 55.07 1d2b s ARG 20 Cb -0.02 -3.46 0.04 0.00 -0.57 0.00 0.00 34.95 30.94 1d2b s ARG 20 CO 0.03 0.15 0.67 0.00 -1.08 0.00 0.00 175.30 175.06 1d2b s ALA 21 N 0.74 -1.34 0.16 7.88 0.00 -0.57 -0.48 121.76 128.14 1d2b s ALA 21 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 52.16 1d2b s ALA 21 Cb -0.14 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1d2b s ALA 21 CO 0.05 -0.93 0.17 0.15 0.00 0.00 0.00 175.76 175.20 1d2b s LYS 22 N -3.86 3.03 -0.32 0.00 1.02 0.13 0.14 119.74 119.88 1d2b s LYS 22 Ca 0.07 -0.80 -0.12 0.00 0.02 0.00 0.00 55.97 55.14 1d2b s LYS 22 Cb -0.04 -2.72 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 1d2b s LYS 22 CO -0.01 0.50 0.23 -0.06 -0.92 0.00 0.00 175.35 175.08 1d2b s PHE 23 N -1.74 3.23 -0.34 3.18 0.40 -1.26 0.44 117.98 121.89 1d2b s PHE 23 Ca 0.32 -0.13 0.16 0.00 -0.60 0.00 0.00 56.93 56.68 1d2b s PHE 23 Cb -0.10 -2.45 0.44 0.00 0.51 0.00 0.00 43.02 41.42 1d2b s PHE 23 CO 0.25 -0.31 0.94 1.33 0.70 0.00 0.00 175.22 178.13 1d2b n VAL 24 N 5.09 1.02 -3.63 -0.44 0.24 -0.70 -4.74 118.33 115.17 1d2b n VAL 24 Ca -0.13 -3.39 -0.06 0.00 -2.04 0.00 0.00 64.34 58.72 1d2b n VAL 24 Cb 0.50 0.39 -0.02 0.00 -1.47 0.00 0.00 33.84 33.25 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 -3.10 -0.35 0.21 7.63 0.00 0.43 -4.62 107.32 107.52 1d2b s GLY 25 Ca 0.30 0.47 0.04 0.00 0.00 0.00 0.00 44.72 45.53 1d2b s GLY 25 CO 0.01 0.14 0.35 -1.08 0.00 0.00 0.00 173.10 172.51 1d2b s THR 26 N -3.31 5.27 -0.39 0.90 -1.32 -1.26 -4.30 115.64 111.23 1d2b s THR 26 Ca 0.08 -0.82 -0.29 0.00 -1.21 0.00 0.00 61.69 59.46 1d2b s THR 26 Cb -0.02 -3.81 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 1d2b s THR 26 CO -0.03 -0.26 1.48 -2.16 -2.21 0.00 0.00 174.62 171.44 1d2b s PRO 27 N -3.72 3.54 -0.29 7.08 0.04 -1.26 -4.28 135.00 136.11 1d2b s PRO 27 Ca 0.35 1.04 -0.24 0.00 0.04 0.00 0.00 61.00 62.18 1d2b s PRO 27 Cb -0.10 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1d2b s PRO 27 CO 0.29 -1.60 0.84 -1.21 0.04 0.00 0.00 177.00 175.36 1d2b s GLU 28 N 5.04 4.04 -0.44 4.56 2.02 -0.59 -4.94 118.70 128.39 1d2b s GLU 28 Ca 0.64 0.75 0.02 0.00 0.02 0.00 0.00 54.97 56.40 1d2b s GLU 28 Cb -0.15 -3.71 0.12 0.00 0.10 0.00 0.00 34.13 30.49 1d2b s GLU 28 CO 0.33 -0.66 0.19 0.08 0.02 0.00 0.00 175.26 175.22 1d2b s VAL 29 N 3.01 2.76 0.63 2.63 1.01 -1.26 -2.86 120.40 126.32 1d2b s VAL 29 Ca 0.35 -2.64 -0.15 0.00 0.00 0.00 0.00 61.98 59.54 1d2b s VAL 29 Cb -0.14 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 1d2b s VAL 29 CO 0.11 -0.71 1.07 0.21 0.00 0.00 0.00 175.10 175.78 1d2b s ASN 30 N 0.74 5.55 0.08 3.32 2.47 -1.26 -4.91 114.94 120.92 1d2b s ASN 30 Ca 0.13 1.82 0.27 0.00 0.42 0.00 0.00 52.86 55.49 1d2b s ASN 30 Cb -0.22 -2.53 0.83 0.00 -1.45 0.00 0.00 41.25 37.88 1d2b s ASN 30 CO -0.04 -1.33 1.69 0.00 -3.72 0.00 0.00 177.10 173.70 1d2b n GLN 31 N -2.33 0.13 -2.67 0.43 1.13 -1.26 -4.09 117.38 108.71 1d2b n GLN 31 Ca 0.09 0.08 -0.09 0.00 -1.94 0.00 0.00 57.00 55.14 1d2b n GLN 31 Cb 0.53 -1.62 0.04 0.00 0.11 0.00 0.00 30.24 29.30 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 -1.83 0.85 0.00 5.09 -1.04 -1.26 -4.82 114.28 111.27 1d2b n THR 32 Ca 0.06 -2.88 -0.00 0.00 -2.04 0.00 0.00 64.05 59.18 1d2b n THR 32 Cb 0.38 0.70 -0.00 0.00 -1.82 0.00 0.00 70.33 69.59 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 -0.12 0.15 0.00 12.58 5.66 -1.26 -4.98 114.28 126.31 1d2b n THR 33 Ca 0.08 0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 1d2b n THR 33 Cb 0.82 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 68.08 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 -3.07 0.00 -4.10 1.09 4.77 -1.26 -4.88 117.00 109.55 1d2b n LEU 34 Ca -0.01 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 1d2b n LEU 34 Cb 0.45 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1d2b n LEU 34 CO 0.00 0.00 -0.19 -0.72 -1.33 0.00 0.00 177.39 175.15 1d2b s TYR 35 N -2.27 0.78 0.09 -1.77 1.13 -1.26 1.26 117.35 115.30 1d2b s TYR 35 Ca 0.00 -1.12 0.01 0.00 -1.41 0.00 0.00 57.07 54.55 1d2b s TYR 35 Cb 0.00 -0.35 -0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1d2b s TYR 35 CO 0.00 -0.62 0.03 1.04 -2.51 0.00 0.00 175.55 173.49 1d2b n GLN 36 N -0.18 0.88 -3.77 -3.49 6.02 0.39 -4.25 117.38 112.98 1d2b n GLN 36 Ca -0.04 -0.73 -0.13 0.00 -0.01 0.00 0.00 57.00 56.09 1d2b n GLN 36 Cb 0.64 0.39 -0.11 0.00 1.02 0.00 0.00 30.24 32.18 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 -2.33 0.39 0.07 -1.09 3.52 -1.13 -2.35 118.95 116.02 1d2b s ARG 37 Ca 0.04 0.38 0.09 0.00 -0.13 0.00 0.00 55.73 56.12 1d2b s ARG 37 Cb 0.00 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 1d2b s ARG 37 CO 0.03 -0.05 -0.23 0.71 -0.81 0.00 0.00 175.30 174.95 1d2b s TYR 38 N 0.05 2.42 -0.16 5.12 2.02 -0.62 -1.54 117.35 124.63 1d2b s TYR 38 Ca -0.01 -0.34 -0.06 0.00 -0.37 0.00 0.00 57.07 56.29 1d2b s TYR 38 Cb -0.02 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 1d2b s TYR 38 CO 0.01 0.24 0.04 -1.21 -1.57 0.00 0.00 175.55 173.06 1d2b s GLU 39 N -1.57 3.80 0.47 -0.62 2.02 -1.26 -2.04 118.70 119.50 1d2b s GLU 39 Ca 0.14 -0.37 0.04 0.00 0.02 0.00 0.00 54.97 54.80 1d2b s GLU 39 Cb -0.10 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1d2b s GLU 39 CO 0.05 0.34 0.03 0.96 0.02 0.00 0.00 175.26 176.65 1d2b s ILE 40 N 0.17 1.56 -0.89 -1.63 -4.36 -1.05 -0.43 121.20 114.58 1d2b s ILE 40 Ca 0.03 -1.97 -0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1d2b s ILE 40 Cb -0.12 -2.53 0.22 0.00 1.25 0.00 0.00 42.46 41.27 1d2b s ILE 40 CO 0.01 0.00 0.77 -0.75 0.24 0.00 0.00 174.94 175.21 1d2b s LYS 41 N -3.83 3.25 0.06 0.37 2.47 1.51 -4.56 119.74 119.02 1d2b s LYS 41 Ca 0.20 -3.27 -0.35 0.00 -1.56 0.00 0.00 55.97 50.99 1d2b s LYS 41 Cb 0.05 -3.94 -0.14 0.00 -1.46 0.00 0.00 37.83 32.34 1d2b s LYS 41 CO 0.10 -1.26 1.62 -0.12 0.16 0.00 0.00 175.35 175.85 1d2b n MET 42 N 2.34 1.92 -0.02 4.03 0.00 -1.26 -0.69 117.12 123.44 1d2b n MET 42 Ca 0.21 0.70 -0.02 0.00 -0.00 0.00 0.00 57.70 58.59 1d2b n MET 42 Cb 0.37 -2.46 -0.01 0.00 0.00 0.00 0.00 33.22 31.12 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 3.76 0.44 -3.79 1.12 -1.04 0.10 -4.87 114.28 110.00 1d2b n THR 43 Ca 0.19 0.40 -0.13 0.00 -2.04 0.00 0.00 64.05 62.48 1d2b n THR 43 Cb 0.26 -1.76 -0.11 0.00 -1.82 0.00 0.00 70.33 66.90 1d2b n THR 43 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1d2b s LYS 44 N -1.50 0.33 -0.10 -2.82 2.36 0.37 -5.00 119.74 113.38 1d2b s LYS 44 Ca -0.07 0.27 -0.20 0.00 -2.55 0.00 0.00 55.97 53.42 1d2b s LYS 44 Cb 0.01 0.15 -0.04 0.00 -1.05 0.00 0.00 37.83 36.90 1d2b s LYS 44 CO 0.10 -0.05 0.54 -1.64 1.55 0.00 0.00 175.35 175.86 1d2b s MET 45 N -0.05 4.36 -0.13 4.03 -1.94 -1.26 0.30 119.30 124.59 1d2b s MET 45 Ca -0.02 0.58 0.16 0.00 -1.71 0.00 0.00 55.69 54.70 1d2b s MET 45 Cb -0.02 -3.43 0.39 0.00 2.01 0.00 0.00 34.83 33.78 1d2b s MET 45 CO 0.01 0.16 1.28 0.66 -0.01 0.00 0.00 175.02 177.11 1d2b n TYR 46 N 3.60 0.50 0.00 -0.03 4.02 0.20 -4.93 117.16 120.52 1d2b n TYR 46 Ca -0.06 -0.86 0.00 0.00 -0.01 0.00 0.00 57.90 56.97 1d2b n TYR 46 Cb 0.51 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.62 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 -0.76 0.00 0.00 -0.72 4.81 -0.42 -4.73 118.16 116.34 1d2b n LYS 47 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 1d2b n LYS 47 Cb 0.72 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.77 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 0.08 0.14 3.14 0.00 -1.26 -1.96 105.19 105.32 1d2b n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d2b n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2b n PHE 49 N 0.00 0.00 -0.09 1.61 3.72 -1.26 -1.77 117.46 119.67 1d2b n PHE 49 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1d2b n PHE 49 Cb 0.00 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 38.46 1d2b n PHE 49 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1d2b n GLN 50 N -0.32 0.52 -0.30 -1.08 6.02 -1.26 -4.26 117.38 116.70 1d2b n GLN 50 Ca 0.00 0.42 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 1d2b n GLN 50 Cb 0.05 -1.61 0.12 0.00 1.02 0.00 0.00 30.24 29.82 1d2b n GLN 50 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1d2b h ALA 51 N -0.89 0.59 -3.00 -1.58 0.00 -1.66 -3.44 119.26 109.28 1d2b h ALA 51 Ca -0.19 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1d2b h ALA 51 Cb 0.98 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1d2b h ALA 51 CO -0.11 -0.41 0.00 1.47 0.00 0.00 0.00 179.25 180.20 1d2b n LEU 52 N -5.53 0.00 0.00 0.00 -0.00 -1.03 -5.11 117.00 105.34 1d2b n LEU 52 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.14 1d2b n LEU 52 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.86 1d2b n LEU 52 CO -0.04 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 177.96 1d2b n GLY 53 N 0.00 0.00 3.54 1.47 0.00 -1.26 -4.75 105.19 104.18 1d2b n GLY 53 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 6.39 0.00 1.61 -4.77 -1.26 -4.85 116.67 113.79 1d2b s ASP 54 Ca 0.00 -1.19 0.00 0.00 -3.30 0.00 0.00 52.55 48.06 1d2b s ASP 54 Cb 0.00 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 39.30 1d2b s ASP 54 CO 0.00 -1.55 0.32 0.00 0.70 0.00 0.00 175.17 174.64 1d2b n ALA 55 N 8.66 0.07 -1.52 2.11 0.00 -1.26 0.61 120.51 129.17 1d2b n ALA 55 Ca 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.59 1d2b n ALA 55 Cb 0.50 -0.05 0.18 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.82 4.36 0.95 0.00 0.00 -1.26 -4.51 120.51 119.23 1d2b n ALA 56 Ca 0.00 -3.24 0.02 0.00 0.00 0.00 0.00 53.44 50.22 1d2b n ALA 56 Cb 0.27 -0.68 0.09 0.00 0.00 0.00 0.00 19.45 19.13 1d2b n ALA 56 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1d2b n ASP 57 N -1.09 1.60 -3.43 0.00 5.75 0.20 -4.59 116.55 114.99 1d2b n ASP 57 Ca 0.33 -2.12 -0.23 0.00 -0.01 0.00 0.00 54.79 52.76 1d2b n ASP 57 Cb 0.97 -0.35 -0.11 0.00 -1.03 0.00 0.00 41.12 40.61 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1d2b s ILE 58 N -1.59 -0.14 0.00 2.12 1.09 -1.26 -4.96 121.20 116.45 1d2b s ILE 58 Ca 0.13 -1.12 0.00 0.00 -1.10 0.00 0.00 60.65 58.56 1d2b s ILE 58 Cb 0.08 -0.92 0.00 0.00 -1.06 0.00 0.00 42.46 40.56 1d2b s ILE 58 CO 0.06 -0.73 0.67 0.54 -0.10 0.00 0.00 174.94 175.38 1d2b n ARG 59 N 4.50 1.00 -3.81 2.79 1.74 -1.26 -4.81 116.66 116.81 1d2b n ARG 59 Ca 0.07 -0.88 -0.12 0.00 -0.77 0.00 0.00 57.85 56.14 1d2b n ARG 59 Cb 0.42 -0.87 -0.10 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 -0.44 -0.12 -0.11 -1.55 0.08 -1.26 -2.52 117.98 112.06 1d2b s PHE 60 Ca 0.00 0.21 0.03 0.00 0.12 0.00 0.00 56.93 57.30 1d2b s PHE 60 Cb 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 43.02 42.50 1d2b s PHE 60 CO 0.00 -0.29 -0.22 0.14 -0.10 0.00 0.00 175.22 174.74 1d2b s VAL 61 N -1.01 1.97 -0.37 -0.44 -7.23 -0.86 -4.15 120.40 108.31 1d2b s VAL 61 Ca -0.11 -0.95 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1d2b s VAL 61 Cb -0.05 -1.72 0.05 0.00 0.56 0.00 0.00 36.38 35.22 1d2b s VAL 61 CO 0.02 0.54 0.17 -0.31 -0.31 0.00 0.00 175.10 175.21 1d2b s TYR 62 N 0.51 3.28 -0.12 2.82 1.51 1.00 -1.60 117.35 124.75 1d2b s TYR 62 Ca -0.15 -1.33 -0.00 0.00 -1.01 0.00 0.00 57.07 54.58 1d2b s TYR 62 Cb -0.17 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.16 1d2b s TYR 62 CO 0.06 -0.74 -0.11 -0.08 -1.11 0.00 0.00 175.55 173.56 1d2b s THR 63 N 1.45 3.22 0.49 -0.71 -1.32 -0.99 -3.01 115.64 114.77 1d2b s THR 63 Ca 0.01 -0.61 -0.22 0.00 -1.21 0.00 0.00 61.69 59.65 1d2b s THR 63 Cb -0.20 -2.35 -0.09 0.00 -1.51 0.00 0.00 72.50 68.35 1d2b s THR 63 CO 0.04 0.53 0.95 -2.65 -2.21 0.00 0.00 174.62 171.29 1d2b n PRO 64 N 3.26 1.15 -0.33 7.08 -0.02 -1.26 0.15 135.00 145.03 1d2b n PRO 64 Ca -0.18 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 61.84 1d2b n PRO 64 Cb 0.53 -2.05 0.29 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.96 2.36 -1.62 3.55 0.00 10.79 -4.49 120.51 130.13 1d2b n ALA 65 Ca 0.11 -1.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.01 1d2b n ALA 65 Cb 0.42 -0.87 0.13 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.06 1.20 0.33 0.00 0.23 -0.73 -4.80 119.30 114.47 1d2b s MET 66 Ca 0.45 0.20 -0.26 0.00 -1.03 0.00 0.00 55.69 55.05 1d2b s MET 66 Cb 0.24 -1.85 -0.10 0.00 -1.53 0.00 0.00 34.83 31.59 1d2b s MET 66 CO 0.31 -2.14 0.95 -2.00 -2.03 0.00 0.00 175.02 170.12 1d2b s GLU 67 N -5.38 4.56 -1.37 3.16 2.56 -1.26 -3.69 118.70 117.28 1d2b s GLU 67 Ca 0.64 1.35 -0.09 0.00 0.00 0.00 0.00 54.97 56.87 1d2b s GLU 67 Cb -0.13 -2.80 0.06 0.00 2.00 0.00 0.00 34.13 33.27 1d2b s GLU 67 CO 0.52 0.26 0.56 -1.13 -0.56 0.00 0.00 175.26 174.92 1d2b n SER 68 N 0.54 -4.26 -4.96 -1.70 3.41 -1.26 -4.95 113.62 100.45 1d2b n SER 68 Ca 0.02 -0.42 -0.22 0.00 -0.26 0.00 0.00 58.87 57.99 1d2b n SER 68 Cb 0.50 -3.49 -0.01 0.00 -0.26 0.00 0.00 64.21 60.96 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 -3.02 4.69 -1.14 -3.33 0.11 -1.24 -4.58 120.40 111.88 1d2b s VAL 69 Ca 0.42 -0.71 -0.07 0.00 -2.93 0.00 0.00 61.98 58.69 1d2b s VAL 69 Cb -0.21 -3.69 0.26 0.00 -1.53 0.00 0.00 36.38 31.22 1d2b s VAL 69 CO 0.51 -0.37 1.49 0.00 -3.33 0.00 0.00 175.10 173.40 1d2b n GLY 71 N 2.10 0.22 2.79 0.00 0.00 -1.26 -3.80 105.19 105.25 1d2b n GLY 71 Ca 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 1.52 -1.08 -0.85 1.61 5.04 -1.26 -2.25 117.35 120.08 1d2b s TYR 72 Ca 0.00 -0.25 -0.25 0.00 -2.44 0.00 0.00 57.07 54.13 1d2b s TYR 72 Cb 0.00 0.21 -0.01 0.00 0.35 0.00 0.00 41.96 42.51 1d2b s TYR 72 CO 0.00 -0.83 1.72 -0.06 -1.34 0.00 0.00 175.55 175.04 1d2b s PHE 73 N 1.13 2.02 -0.24 4.97 0.08 -1.26 -4.93 117.98 119.76 1d2b s PHE 73 Ca 0.25 0.20 -0.13 0.00 0.12 0.00 0.00 56.93 57.37 1d2b s PHE 73 Cb 0.04 -4.30 -0.04 0.00 -0.57 0.00 0.00 43.02 38.15 1d2b s PHE 73 CO -0.08 -1.96 0.26 -1.58 -0.10 0.00 0.00 175.22 171.76 1d2b s HIS 74 N 8.01 3.31 -0.46 0.36 5.65 -1.26 -4.98 115.29 125.93 1d2b s HIS 74 Ca 0.59 0.35 0.07 0.00 0.25 0.00 0.00 55.06 56.32 1d2b s HIS 74 Cb -0.06 -2.40 0.40 0.00 -1.18 0.00 0.00 32.58 29.33 1d2b s HIS 74 CO 0.04 -0.02 1.01 0.54 -0.65 0.00 0.00 174.74 175.65 1d2b n ARG 75 N 4.58 2.88 -3.26 2.88 5.12 -1.26 -4.92 116.66 122.67 1d2b n ARG 75 Ca -0.12 -4.35 -0.23 0.00 -1.93 0.00 0.00 57.85 51.21 1d2b n ARG 75 Cb 0.52 -2.07 -0.08 0.00 -1.16 0.00 0.00 32.46 29.67 1d2b n ARG 75 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1d2b n SER 76 N -0.30 -0.77 -4.38 0.55 7.64 -1.26 -5.05 113.62 110.05 1d2b n SER 76 Ca 0.32 -2.52 -0.45 0.00 1.01 0.00 0.00 58.87 57.23 1d2b n SER 76 Cb 0.60 -0.24 -0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1d2b n SER 76 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1d2b s HIS 77 N -0.07 4.01 -0.08 1.43 2.46 -1.26 -4.89 115.29 116.90 1d2b s HIS 77 Ca 0.33 -2.50 0.01 0.00 0.47 0.00 0.00 55.06 53.37 1d2b s HIS 77 Cb 0.07 -4.00 0.02 0.00 -0.13 0.00 0.00 32.58 28.54 1d2b s HIS 77 CO -0.17 -1.10 -0.10 1.21 -2.47 0.00 0.00 174.74 172.12 1d2b s ASN 78 N 1.83 1.83 0.20 9.88 2.47 -1.26 -5.03 114.94 124.85 1d2b s ASN 78 Ca 0.34 -0.28 -0.15 0.00 0.42 0.00 0.00 52.86 53.20 1d2b s ASN 78 Cb -0.08 -0.79 0.19 0.00 -1.45 0.00 0.00 41.25 39.13 1d2b s ASN 78 CO -0.05 -0.03 1.64 -0.09 -3.72 0.00 0.00 177.10 174.84 1d2b h ARG 79 N 7.43 -0.00 -1.71 0.43 2.43 -1.93 -2.02 114.38 119.00 1d2b h ARG 79 Ca -0.31 0.00 -0.63 0.00 -0.81 0.00 0.00 59.98 58.23 1d2b h ARG 79 Cb 1.16 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.48 1d2b h ARG 79 CO 0.45 -0.00 0.77 -1.13 -1.51 0.00 0.00 179.97 178.55 1d2b n SER 80 N -5.40 7.18 -4.05 -3.80 3.41 -1.26 -4.86 113.62 104.84 1d2b n SER 80 Ca 0.06 -3.57 -0.34 0.00 -0.26 0.00 0.00 58.87 54.76 1d2b n SER 80 Cb 0.30 -1.09 -0.13 0.00 -0.26 0.00 0.00 64.21 63.03 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 -3.14 1.98 0.39 4.33 2.56 -0.76 -5.10 118.70 118.96 1d2b s GLU 81 Ca 0.54 -2.15 -0.24 0.00 0.00 0.00 0.00 54.97 53.12 1d2b s GLU 81 Cb 0.42 -3.47 -0.09 0.00 2.00 0.00 0.00 34.13 32.99 1d2b s GLU 81 CO -0.22 -1.07 1.02 -1.21 -0.56 0.00 0.00 175.26 173.22 1d2b s GLU 82 N 0.54 4.26 0.39 4.30 0.41 -1.26 -4.14 118.70 123.21 1d2b s GLU 82 Ca 0.13 1.43 0.03 0.00 -0.41 0.00 0.00 54.97 56.15 1d2b s GLU 82 Cb -0.22 -2.55 -0.04 0.00 -1.78 0.00 0.00 34.13 29.54 1d2b s GLU 82 CO -0.04 -0.04 0.09 -0.06 -0.49 0.00 0.00 175.26 174.72 1d2b s PHE 83 N -1.71 1.86 -0.10 1.61 0.08 0.38 -3.37 117.98 116.73 1d2b s PHE 83 Ca 0.57 -1.13 0.03 0.00 0.12 0.00 0.00 56.93 56.51 1d2b s PHE 83 Cb -0.20 -1.26 0.01 0.00 -0.57 0.00 0.00 43.02 41.00 1d2b s PHE 83 CO 0.25 -0.12 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.89 1d2b s LEU 84 N -3.60 1.88 -0.23 -0.37 1.98 0.24 -1.51 118.68 117.07 1d2b s LEU 84 Ca 0.26 -0.47 -0.01 0.00 -2.89 0.00 0.00 54.13 51.02 1d2b s LEU 84 Cb 0.05 -1.19 0.07 0.00 0.66 0.00 0.00 46.19 45.77 1d2b s LEU 84 CO 0.13 0.08 0.02 -0.63 -1.89 0.00 0.00 176.35 174.06 1d2b s ILE 85 N 0.67 0.96 -0.24 6.68 1.01 0.58 -1.92 121.20 128.94 1d2b s ILE 85 Ca -0.13 -0.98 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 1d2b s ILE 85 Cb -0.16 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1d2b s ILE 85 CO 0.03 -0.27 0.24 0.00 0.00 0.00 0.00 174.94 174.94 1d2b s ALA 86 N 1.64 3.58 0.00 9.38 0.00 0.21 0.51 121.76 137.08 1d2b s ALA 86 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1d2b s ALA 86 Cb -0.18 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1d2b s ALA 86 CO -0.11 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1d2b n GLY 87 N 4.42 1.90 3.32 0.00 0.00 0.33 -4.28 105.19 110.88 1d2b n GLY 87 Ca -0.13 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.78 1d2b n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d2b s LYS 88 N -1.50 1.55 0.03 1.61 1.02 -1.25 0.27 119.74 121.47 1d2b s LYS 88 Ca 0.00 -1.88 -0.02 0.00 0.02 0.00 0.00 55.97 54.09 1d2b s LYS 88 Cb 0.00 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 1d2b s LYS 88 CO 0.00 -0.44 0.21 -0.51 -0.92 0.00 0.00 175.35 173.70 1d2b s LEU 89 N -3.35 4.36 -0.27 3.17 1.43 -1.26 -2.73 118.68 120.02 1d2b s LEU 89 Ca 0.36 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1d2b s LEU 89 Cb 0.05 -2.83 0.08 0.00 0.03 0.00 0.00 46.19 43.53 1d2b s LEU 89 CO 0.17 0.21 0.03 -1.10 0.23 0.00 0.00 176.35 175.89 1d2b s GLN 90 N -2.24 1.08 -0.32 1.70 -1.52 0.15 -4.85 119.66 113.66 1d2b s GLN 90 Ca 0.32 -1.04 0.00 0.00 -1.95 0.00 0.00 55.36 52.68 1d2b s GLN 90 Cb -0.13 -2.36 0.00 0.00 -0.22 0.00 0.00 33.01 30.31 1d2b s GLN 90 CO 0.23 -0.80 0.00 -0.25 -0.25 0.00 0.00 175.29 174.22 1d2b n ASP 91 N 4.75 -1.36 0.00 5.90 8.00 -1.26 -0.48 116.55 132.10 1d2b n ASP 91 Ca -0.05 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.70 1d2b n ASP 91 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d2b n GLY 92 N -0.33 1.31 3.27 0.44 0.00 -1.26 -5.11 105.19 103.50 1d2b n GLY 92 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 2.31 0.66 0.99 2.01 0.37 -5.10 118.68 119.92 1d2b s LEU 93 Ca 0.00 -0.70 -0.14 0.00 0.01 0.00 0.00 54.13 53.30 1d2b s LEU 93 Cb 0.00 -0.81 -0.00 0.00 0.01 0.00 0.00 46.19 45.39 1d2b s LEU 93 CO 0.00 0.02 1.09 -0.22 1.01 0.00 0.00 176.35 178.25 1d2b s LEU 94 N -1.97 3.35 -0.03 1.79 2.96 -1.26 0.30 118.68 123.83 1d2b s LEU 94 Ca 0.06 1.89 -0.07 0.00 -0.22 0.00 0.00 54.13 55.79 1d2b s LEU 94 Cb -0.09 -4.54 0.01 0.00 0.50 0.00 0.00 46.19 42.07 1d2b s LEU 94 CO 0.04 -1.53 0.16 -1.00 -1.32 0.00 0.00 176.35 172.70 1d2b s HIS 95 N -2.50 -0.09 0.05 5.38 3.76 -1.11 -0.00 115.29 120.79 1d2b s HIS 95 Ca 0.65 0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.78 1d2b s HIS 95 Cb -0.18 0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.50 1d2b s HIS 95 CO 0.43 -0.19 -0.08 0.42 -0.85 0.00 0.00 174.74 174.47 1d2b s ILE 96 N -0.61 0.60 0.01 0.60 -1.09 -1.16 -3.85 121.20 115.69 1d2b s ILE 96 Ca -0.07 -1.23 0.00 0.00 -2.23 0.00 0.00 60.65 57.12 1d2b s ILE 96 Cb -0.04 -0.80 -0.01 0.00 -1.58 0.00 0.00 42.46 40.03 1d2b s ILE 96 CO 0.01 -0.45 -0.02 0.42 -1.23 0.00 0.00 174.94 173.67 1d2b s THR 97 N -1.73 0.09 -1.25 2.92 -4.23 -0.95 -4.05 115.64 106.43 1d2b s THR 97 Ca -0.06 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1d2b s THR 97 Cb -0.08 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1d2b s THR 97 CO -0.00 -0.13 0.78 0.35 -0.54 0.00 0.00 174.62 175.08 1d2b n THR 98 N 2.63 1.17 -1.47 3.99 -2.24 -1.11 0.36 114.28 117.62 1d2b n THR 98 Ca -0.16 0.32 0.03 0.00 -2.27 0.00 0.00 64.05 61.97 1d2b n THR 98 Cb 0.58 -1.32 0.20 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.91 3.89 -0.56 0.00 0.01 0.16 -4.71 113.70 109.58 1d2b s SER 100 Ca 0.40 -0.75 -0.28 0.00 1.31 0.00 0.00 55.95 56.63 1d2b s SER 100 Cb 0.37 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.10 1d2b s SER 100 CO -0.03 0.09 1.56 0.12 0.41 0.00 0.00 173.24 175.39 1d2b s PHE 101 N -1.86 2.07 -0.26 2.43 2.19 -1.26 -4.69 117.98 116.61 1d2b s PHE 101 Ca 0.25 0.53 -0.01 0.00 0.33 0.00 0.00 56.93 58.03 1d2b s PHE 101 Cb -0.08 -4.30 0.13 0.00 -1.31 0.00 0.00 43.02 37.46 1d2b s PHE 101 CO 0.14 -2.18 0.33 0.08 1.83 0.00 0.00 175.22 175.41 1d2b s VAL 102 N 6.87 -0.49 0.33 3.12 1.01 -1.26 -0.61 120.40 129.37 1d2b s VAL 102 Ca 0.58 -0.26 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 1d2b s VAL 102 Cb -0.12 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1d2b s VAL 102 CO 0.24 -0.29 0.73 0.00 0.00 0.00 0.00 175.10 175.79 1d2b s ALA 103 N 2.44 -0.83 -0.02 5.51 0.00 -0.81 -4.99 121.76 123.07 1d2b s ALA 103 Ca 0.10 -0.62 -0.34 0.00 0.00 0.00 0.00 51.96 51.10 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 -0.24 -0.99 1.80 -2.30 0.00 0.00 0.00 175.76 174.03 1d2b n PRO 104 N -0.49 2.17 -0.11 0.00 -0.02 -1.26 0.82 135.00 136.10 1d2b n PRO 104 Ca -0.06 0.79 -0.07 0.00 -2.02 0.00 0.00 63.50 62.14 1d2b n PRO 104 Cb 0.60 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.45 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 8.29 -0.80 0.00 6.00 -0.00 -1.69 0.32 115.95 128.07 1d2b h TRP 105 Ca -0.48 0.05 0.00 0.00 -0.00 0.00 0.00 58.89 58.47 1d2b h TRP 105 Cb 1.27 0.41 0.00 0.00 -0.00 0.00 0.00 29.16 30.84 1d2b h TRP 105 CO 0.81 -0.36 0.40 0.09 -0.00 0.00 0.00 178.44 179.38 1d2b n ASN 106 N -5.41 0.14 -1.06 2.65 4.13 -1.26 0.18 115.26 114.63 1d2b n ASN 106 Ca 0.01 0.36 0.11 0.00 1.68 0.00 0.00 54.58 56.74 1d2b n ASN 106 Cb 0.33 -0.28 0.26 0.00 -1.54 0.00 0.00 39.78 38.55 1d2b n ASN 106 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1d2b n SER 107 N -1.68 3.13 -4.99 6.41 7.64 0.11 -4.96 113.62 119.29 1d2b n SER 107 Ca -0.00 -1.95 -0.19 0.00 1.01 0.00 0.00 58.87 57.73 1d2b n SER 107 Cb 0.41 -0.28 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.36 3.58 0.41 -3.43 1.02 0.47 -5.05 118.68 114.32 1d2b s LEU 108 Ca 0.39 -0.18 -0.25 0.00 0.02 0.00 0.00 54.13 54.10 1d2b s LEU 108 Cb 0.22 -2.79 -0.08 0.00 0.02 0.00 0.00 46.19 43.55 1d2b s LEU 108 CO 0.30 -0.83 1.17 -0.44 0.02 0.00 0.00 176.35 176.57 1d2b s SER 109 N -4.33 6.47 0.43 2.29 0.01 -1.26 -4.85 113.70 112.45 1d2b s SER 109 Ca 0.54 2.34 0.14 0.00 1.31 0.00 0.00 55.95 60.28 1d2b s SER 109 Cb -0.10 -2.61 0.94 0.00 0.21 0.00 0.00 66.02 64.45 1d2b s SER 109 CO 0.35 -0.71 1.95 0.17 0.41 0.00 0.00 173.24 175.41 1d2b h LEU 110 N 2.55 0.00 0.03 2.44 -0.00 -1.97 1.53 115.31 119.88 1d2b h LEU 110 Ca -0.49 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.14 1d2b h LEU 110 Cb 1.24 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.87 1d2b h LEU 110 CO 0.62 0.23 -1.27 0.00 -0.00 0.00 0.00 178.44 178.02 1d2b h ALA 111 N 1.77 0.42 -0.01 0.17 0.00 -2.00 -3.06 119.26 116.55 1d2b h ALA 111 Ca -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1d2b h ALA 111 Cb 0.42 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1d2b h ALA 111 CO 0.03 1.29 -0.04 0.94 0.00 0.00 0.00 179.25 181.47 1d2b n GLN 112 N -3.31 1.34 0.11 0.00 7.27 -0.37 -0.15 117.38 122.27 1d2b n GLN 112 Ca -0.07 -0.65 -0.23 0.00 0.07 0.00 0.00 57.00 56.12 1d2b n GLN 112 Cb 0.99 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 32.02 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 1.58 0.59 0.14 3.69 9.65 0.22 -2.70 114.38 127.56 1d2b h ARG 113 Ca 0.00 -0.84 -0.20 0.00 -1.10 0.00 0.00 59.98 57.84 1d2b h ARG 113 Cb 0.39 0.29 0.02 0.00 -1.39 0.00 0.00 29.97 29.28 1d2b h ARG 113 CO 0.00 1.39 -0.86 0.07 2.80 0.00 0.00 179.97 183.37 1d2b h ARG 114 N 0.24 0.33 -0.91 0.20 -0.00 -1.40 -3.14 114.38 109.69 1d2b h ARG 114 Ca -0.20 -0.54 0.26 0.00 -0.00 0.00 0.00 59.98 59.49 1d2b h ARG 114 Cb 1.98 0.20 -0.15 0.00 -0.00 0.00 0.00 29.97 32.00 1d2b h ARG 114 CO 0.25 1.25 0.21 0.78 -0.00 0.00 0.00 179.97 182.46 1d2b h GLY 115 N -0.31 1.41 1.92 0.08 0.00 -0.60 1.78 103.07 107.35 1d2b h GLY 115 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1d2b h GLY 115 CO 0.16 -0.44 -0.07 0.74 0.00 0.00 0.00 176.54 176.93 1d2b h PHE 116 N 0.14 0.00 0.00 5.60 -1.00 -1.57 1.42 116.94 121.53 1d2b h PHE 116 Ca 0.59 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.37 1d2b h PHE 116 Cb 1.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.80 1d2b h PHE 116 CO -0.30 0.00 -0.73 0.00 -1.61 0.00 0.00 178.31 175.67 1d2b h THR 117 N 0.00 0.00 0.00 -1.55 1.03 0.21 -3.44 112.91 109.17 1d2b h THR 117 Ca 0.00 -0.87 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 1d2b h THR 117 Cb 0.82 1.48 0.00 0.00 -1.07 0.00 0.00 68.15 69.37 1d2b h THR 117 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 176.68 1d2b n LYS 118 N -2.60 0.00 -0.01 0.00 4.81 0.41 -5.02 118.16 115.76 1d2b n LYS 118 Ca 0.02 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.56 1d2b n LYS 118 Cb 0.52 -0.46 -0.16 0.00 0.02 0.00 0.00 35.03 34.95 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1d2b n THR 119 N -1.47 0.08 -0.29 3.15 -1.04 0.23 -4.63 114.28 110.31 1d2b n THR 119 Ca 0.00 -0.51 0.09 0.00 -2.04 0.00 0.00 64.05 61.58 1d2b n THR 119 Cb 0.00 -0.04 0.31 0.00 -1.82 0.00 0.00 70.33 68.79 1d2b n THR 119 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1d2b n TYR 120 N -2.30 1.23 0.47 -1.42 4.01 0.42 -2.94 117.16 116.63 1d2b n TYR 120 Ca -0.05 -0.51 0.09 0.00 -0.16 0.00 0.00 57.90 57.27 1d2b n TYR 120 Cb 0.59 -0.17 -0.12 0.00 -0.31 0.00 0.00 39.34 39.33 1d2b n TYR 120 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1d2b n THR 121 N 1.08 0.00 0.00 -0.72 5.66 -1.26 -3.50 114.28 115.54 1d2b n THR 121 Ca 0.23 -0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1d2b n THR 121 Cb 0.75 0.62 0.00 0.00 -1.55 0.00 0.00 70.33 70.15 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1d2b n VAL 122 N -1.71 0.00 -2.70 1.08 0.31 -1.26 -4.81 118.33 109.25 1d2b n VAL 122 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1d2b n VAL 122 Cb 0.35 -0.30 0.04 0.00 -0.91 0.00 0.00 33.84 33.02 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 2.59 1.49 3.51 2.92 0.00 -1.15 -5.07 105.19 109.49 1d2b n GLY 123 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b s GLU 125 N 8.15 1.31 0.00 0.00 -1.05 -1.26 -4.34 118.70 121.51 1d2b s GLU 125 Ca 1.24 -1.87 0.00 0.00 -0.15 0.00 0.00 54.97 54.19 1d2b s GLU 125 Cb -0.82 -2.60 0.00 0.00 -0.44 0.00 0.00 34.13 30.28 1d2b s GLU 125 CO 0.44 -1.07 0.20 -0.85 0.95 0.00 0.00 175.26 174.93