#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 1.70 -2.66 0.00 -2.24 -1.26 -3.28 114.28 106.54 1d2b n THR 2 Ca 0.00 -4.92 -0.21 0.00 -2.27 0.00 0.00 64.05 56.65 1d2b n THR 2 Cb 0.00 -2.09 0.10 0.00 -2.10 0.00 0.00 70.33 66.24 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 -2.77 4.35 -0.52 0.00 -7.23 -1.26 -4.52 120.40 108.45 1d2b s VAL 4 Ca 0.61 -1.20 -0.40 0.00 -1.81 0.00 0.00 61.98 59.18 1d2b s VAL 4 Cb -0.04 -3.47 -0.18 0.00 0.56 0.00 0.00 36.38 33.25 1d2b s VAL 4 CO 0.40 -0.26 2.07 -2.65 -0.31 0.00 0.00 175.10 174.35 1d2b n PRO 5 N -1.39 0.00 -3.19 4.82 -0.02 -1.26 -4.84 135.00 129.12 1d2b n PRO 5 Ca -0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.05 1d2b n PRO 5 Cb 0.58 -1.41 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 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 5.95 4.25 -0.11 0.52 0.05 -1.26 -4.95 135.00 139.45 1d2b s PRO 6 Ca 1.15 0.81 -0.16 0.00 0.05 0.00 0.00 61.00 62.85 1d2b s PRO 6 Cb -1.39 -3.11 -0.07 0.00 0.05 0.00 0.00 34.50 29.98 1d2b s PRO 6 CO 0.61 0.54 0.51 0.72 0.05 0.00 0.00 177.00 179.43 1d2b n HIS 7 N 1.31 0.47 0.33 0.56 8.25 -1.26 -4.42 115.22 120.46 1d2b n HIS 7 Ca -0.07 0.41 0.11 0.00 -0.26 0.00 0.00 57.72 57.91 1d2b n HIS 7 Cb 0.51 -0.80 0.48 0.00 1.12 0.00 0.00 29.99 31.30 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 1.09 0.16 0.09 -0.41 -0.04 -0.93 0.95 135.00 135.90 1d2b n PRO 8 Ca 0.10 0.47 -0.05 0.00 -0.04 0.00 0.00 63.50 63.98 1d2b n PRO 8 Cb -0.00 -1.85 0.13 0.00 -0.04 0.00 0.00 33.50 31.74 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 0.22 0.08 0.54 3.07 0.15 0.31 115.11 119.47 1d2b h GLN 9 Ca 0.00 -0.15 -0.36 0.00 0.09 0.00 0.00 58.65 58.23 1d2b h GLN 9 Cb 0.25 0.02 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 1d2b h GLN 9 CO 0.00 0.75 -2.02 2.41 0.09 0.00 0.00 178.83 180.06 1d2b n THR 10 N -3.88 1.68 -0.10 1.86 -1.04 0.11 -3.89 114.28 109.02 1d2b n THR 10 Ca -0.02 -0.54 -0.02 0.00 -2.04 0.00 0.00 64.05 61.43 1d2b n THR 10 Cb 0.61 -1.72 0.22 0.00 -1.82 0.00 0.00 70.33 67.61 1d2b n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d2b h ALA 11 N -0.08 1.26 0.16 2.41 0.00 0.59 0.32 119.26 123.92 1d2b h ALA 11 Ca -0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1d2b h ALA 11 Cb 1.89 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1d2b h ALA 11 CO -0.01 0.51 -0.07 0.35 0.00 0.00 0.00 179.25 180.03 1d2b h PHE 12 N 0.74 -0.19 0.18 0.00 3.04 -0.58 -2.84 116.94 117.29 1d2b h PHE 12 Ca 0.16 -0.00 -0.31 0.00 3.98 0.00 0.00 57.97 61.80 1d2b h PHE 12 Cb 0.28 0.06 0.03 0.00 2.56 0.00 0.00 35.95 38.89 1d2b h PHE 12 CO 0.02 0.21 -1.34 0.00 -2.02 0.00 0.00 178.31 175.18 1d2b h ASN 14 N 0.20 0.49 -4.12 0.00 -1.24 -0.50 -3.44 115.58 106.97 1d2b h ASN 14 Ca -0.22 -0.13 -0.46 0.00 0.71 0.00 0.00 56.30 56.20 1d2b h ASN 14 Cb 2.02 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 40.96 1d2b h ASN 14 CO 0.25 0.65 0.37 -0.55 -1.29 0.00 0.00 177.43 176.86 1d2b s SER 15 N -6.77 6.52 0.00 1.15 0.15 -1.07 -4.97 113.70 108.70 1d2b s SER 15 Ca -0.07 1.75 0.19 0.00 0.70 0.00 0.00 55.95 58.52 1d2b s SER 15 Cb 0.15 -2.54 0.54 0.00 -1.71 0.00 0.00 66.02 62.46 1d2b s SER 15 CO 0.78 -0.66 1.45 0.47 1.20 0.00 0.00 173.24 176.48 1d2b n ASP 16 N -1.17 3.65 -3.54 5.45 8.00 -1.25 -4.89 116.55 122.80 1d2b n ASP 16 Ca 0.08 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.58 1d2b n ASP 16 Cb 0.53 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1d2b s LEU 17 N -1.02 -0.42 -0.04 0.64 1.43 0.40 -4.39 118.68 115.28 1d2b s LEU 17 Ca 0.41 0.63 0.01 0.00 -1.03 0.00 0.00 54.13 54.15 1d2b s LEU 17 Cb 0.22 1.56 0.02 0.00 0.03 0.00 0.00 46.19 48.02 1d2b s LEU 17 CO 0.28 -0.10 -0.02 -0.69 0.23 0.00 0.00 176.35 176.06 1d2b s VAL 18 N 1.67 0.37 0.01 -1.59 1.01 0.12 0.22 120.40 122.22 1d2b s VAL 18 Ca -0.06 -0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.67 1d2b s VAL 18 Cb -0.04 -0.44 0.05 0.00 0.00 0.00 0.00 36.38 35.95 1d2b s VAL 18 CO -0.15 0.19 0.52 0.27 0.00 0.00 0.00 175.10 175.94 1d2b s ILE 19 N 1.04 0.03 -0.18 2.22 -5.25 0.55 0.73 121.20 120.34 1d2b s ILE 19 Ca -0.09 -0.23 -0.14 0.00 -0.99 0.00 0.00 60.65 59.20 1d2b s ILE 19 Cb -0.14 -0.91 -0.04 0.00 2.95 0.00 0.00 42.46 44.32 1d2b s ILE 19 CO -0.01 -0.13 0.31 0.00 -1.79 0.00 0.00 174.94 173.33 1d2b s ARG 20 N -1.86 4.21 0.29 0.37 1.04 0.19 0.52 118.95 123.72 1d2b s ARG 20 Ca -0.09 0.09 -0.18 0.00 -1.04 0.00 0.00 55.73 54.52 1d2b s ARG 20 Cb -0.01 -3.48 0.02 0.00 -2.04 0.00 0.00 34.95 29.44 1d2b s ARG 20 CO 0.03 0.12 0.67 0.00 -0.04 0.00 0.00 175.30 176.07 1d2b s ALA 21 N 0.84 -0.85 0.16 7.88 0.00 -0.77 0.56 121.76 129.57 1d2b s ALA 21 Ca 0.16 -0.55 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1d2b s ALA 21 Cb -0.14 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1d2b s ALA 21 CO 0.05 -0.98 -0.07 0.15 0.00 0.00 0.00 175.76 174.92 1d2b s LYS 22 N -3.66 2.19 -0.27 0.00 1.02 0.74 0.13 119.74 119.89 1d2b s LYS 22 Ca 0.15 -1.15 -0.13 0.00 0.02 0.00 0.00 55.97 54.86 1d2b s LYS 22 Cb -0.04 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1d2b s LYS 22 CO 0.09 0.46 0.29 -0.06 -0.92 0.00 0.00 175.35 175.21 1d2b s PHE 23 N -1.58 3.24 -0.28 3.18 0.40 -0.99 0.32 117.98 122.27 1d2b s PHE 23 Ca 0.25 0.29 0.19 0.00 -0.60 0.00 0.00 56.93 57.06 1d2b s PHE 23 Cb -0.10 -2.48 0.49 0.00 0.51 0.00 0.00 43.02 41.45 1d2b s PHE 23 CO 0.16 -0.18 1.10 1.33 0.70 0.00 0.00 175.22 178.33 1d2b n VAL 24 N 5.01 1.47 -3.59 -0.44 0.24 -0.75 -3.05 118.33 117.22 1d2b n VAL 24 Ca -0.11 -3.21 -0.06 0.00 -2.04 0.00 0.00 64.34 58.91 1d2b n VAL 24 Cb 0.51 0.74 -0.02 0.00 -1.47 0.00 0.00 33.84 33.61 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 -3.67 -0.38 0.25 7.63 0.00 -0.79 -4.68 107.32 105.68 1d2b s GLY 25 Ca 0.32 0.72 0.05 0.00 0.00 0.00 0.00 44.72 45.81 1d2b s GLY 25 CO -0.02 0.22 0.36 -1.08 0.00 0.00 0.00 173.10 172.58 1d2b s THR 26 N -3.13 5.16 -0.31 0.90 -1.32 -1.26 -4.16 115.64 111.51 1d2b s THR 26 Ca 0.08 -1.01 -0.29 0.00 -1.21 0.00 0.00 61.69 59.26 1d2b s THR 26 Cb -0.01 -3.81 -0.00 0.00 -1.51 0.00 0.00 72.50 67.17 1d2b s THR 26 CO -0.05 -0.32 1.36 -2.16 -2.21 0.00 0.00 174.62 171.23 1d2b s PRO 27 N -3.98 3.85 -0.39 7.08 0.04 -1.26 -4.32 135.00 136.02 1d2b s PRO 27 Ca 0.35 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.44 1d2b s PRO 27 Cb -0.09 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.54 1d2b s PRO 27 CO 0.29 -1.21 0.57 -1.21 0.04 0.00 0.00 177.00 175.48 1d2b s GLU 28 N 4.34 3.44 -0.50 4.56 2.02 -1.21 -4.93 118.70 126.41 1d2b s GLU 28 Ca 0.59 -0.28 -0.07 0.00 0.02 0.00 0.00 54.97 55.23 1d2b s GLU 28 Cb -0.17 -3.88 0.13 0.00 0.10 0.00 0.00 34.13 30.31 1d2b s GLU 28 CO 0.25 -0.82 0.35 0.08 0.02 0.00 0.00 175.26 175.15 1d2b s VAL 29 N 2.56 4.00 0.66 2.63 1.01 -1.26 -2.61 120.40 127.39 1d2b s VAL 29 Ca 0.20 -2.09 -0.15 0.00 0.00 0.00 0.00 61.98 59.94 1d2b s VAL 29 Cb -0.15 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1d2b s VAL 29 CO 0.16 -0.79 1.11 0.21 0.00 0.00 0.00 175.10 175.79 1d2b s ASN 30 N 2.11 5.11 0.23 3.32 2.47 -1.26 -4.91 114.94 122.01 1d2b s ASN 30 Ca 0.09 2.01 0.25 0.00 0.42 0.00 0.00 52.86 55.63 1d2b s ASN 30 Cb -0.23 -2.55 0.62 0.00 -1.45 0.00 0.00 41.25 37.63 1d2b s ASN 30 CO -0.03 -1.63 1.63 1.56 -3.72 0.00 0.00 177.10 174.92 1d2b h GLN 31 N 0.06 0.00 -0.66 0.43 1.08 -1.98 -3.35 115.11 110.68 1d2b h GLN 31 Ca -0.47 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.42 1d2b h GLN 31 Cb 1.25 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.27 1d2b h GLN 31 CO 0.54 0.00 -1.12 2.41 -0.95 0.00 0.00 178.83 179.72 1d2b n THR 32 N -2.38 1.29 -0.06 -0.54 -1.04 -1.26 -4.80 114.28 105.50 1d2b n THR 32 Ca 0.05 -3.10 -0.12 0.00 -2.04 0.00 0.00 64.05 58.83 1d2b n THR 32 Cb 0.45 0.88 -0.04 0.00 -1.82 0.00 0.00 70.33 69.80 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 -0.43 0.68 -0.03 12.58 5.66 -1.26 -4.98 114.28 126.50 1d2b n THR 33 Ca 0.11 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1d2b n THR 33 Cb 0.81 -1.67 0.00 0.00 -1.55 0.00 0.00 70.33 67.92 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 -3.55 0.00 -4.12 1.09 4.77 -1.26 -4.89 117.00 109.03 1d2b n LEU 34 Ca -0.22 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.63 1d2b n LEU 34 Cb 0.64 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1d2b n LEU 34 CO 0.02 0.00 -0.01 -0.72 -1.33 0.00 0.00 177.39 175.34 1d2b s TYR 35 N -2.52 0.97 0.22 -1.77 1.13 -1.26 0.63 117.35 114.75 1d2b s TYR 35 Ca 0.00 -1.20 -0.00 0.00 -1.41 0.00 0.00 57.07 54.46 1d2b s TYR 35 Cb 0.00 -0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 1d2b s TYR 35 CO 0.00 -0.89 0.12 -0.65 -2.51 0.00 0.00 175.55 171.62 1d2b s GLN 36 N -3.77 1.27 -0.16 -3.49 -0.21 0.51 -3.99 119.66 109.83 1d2b s GLN 36 Ca 0.32 -1.68 -0.04 0.00 0.02 0.00 0.00 55.36 53.99 1d2b s GLN 36 Cb 0.02 0.08 0.07 0.00 1.00 0.00 0.00 33.01 34.18 1d2b s GLN 36 CO 0.15 -0.35 0.15 -0.98 -2.12 0.00 0.00 175.29 172.13 1d2b s ARG 37 N -4.11 0.09 0.28 2.91 1.70 -1.07 -0.74 118.95 118.01 1d2b s ARG 37 Ca 0.39 0.16 -0.13 0.00 -0.47 0.00 0.00 55.73 55.67 1d2b s ARG 37 Cb 0.07 -1.25 -0.08 0.00 -0.57 0.00 0.00 34.95 33.12 1d2b s ARG 37 CO 0.13 -0.58 0.67 0.71 -1.08 0.00 0.00 175.30 175.15 1d2b s TYR 38 N 2.23 3.41 -0.10 5.89 2.02 -0.31 -3.32 117.35 127.16 1d2b s TYR 38 Ca 0.04 1.11 -0.06 0.00 -0.37 0.00 0.00 57.07 57.79 1d2b s TYR 38 Cb -0.15 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1d2b s TYR 38 CO -0.09 0.17 0.11 -1.21 -1.57 0.00 0.00 175.55 172.96 1d2b s GLU 39 N -2.86 3.34 -0.09 -0.62 8.01 -1.26 -1.17 118.70 124.05 1d2b s GLU 39 Ca 0.51 -0.20 -0.07 0.00 0.01 0.00 0.00 54.97 55.22 1d2b s GLU 39 Cb -0.11 -3.10 0.03 0.00 -4.31 0.00 0.00 34.13 26.64 1d2b s GLU 39 CO 0.19 0.76 0.23 0.96 0.01 0.00 0.00 175.26 177.40 1d2b s ILE 40 N -1.03 -0.01 -1.13 -1.63 -0.00 0.32 -1.82 121.20 115.90 1d2b s ILE 40 Ca 0.16 0.05 -0.22 0.00 -0.00 0.00 0.00 60.65 60.64 1d2b s ILE 40 Cb -0.12 -0.34 -0.03 0.00 -0.00 0.00 0.00 42.46 41.98 1d2b s ILE 40 CO 0.05 0.02 1.84 -0.75 -0.00 0.00 0.00 174.94 176.11 1d2b s LYS 41 N 0.53 2.94 0.01 0.37 2.36 0.96 -4.69 119.74 122.21 1d2b s LYS 41 Ca -0.03 -1.15 -0.34 0.00 -2.55 0.00 0.00 55.97 51.90 1d2b s LYS 41 Cb -0.05 -5.28 -0.12 0.00 -1.05 0.00 0.00 37.83 31.33 1d2b s LYS 41 CO -0.03 -3.30 1.80 -0.12 1.55 0.00 0.00 175.35 175.25 1d2b n MET 42 N 8.49 2.27 -0.02 4.03 0.00 -1.26 -0.18 117.12 130.45 1d2b n MET 42 Ca 0.43 0.83 -0.01 0.00 -0.00 0.00 0.00 57.70 58.95 1d2b n MET 42 Cb 0.47 -2.67 -0.00 0.00 0.00 0.00 0.00 33.22 31.02 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 4.90 0.00 -3.00 1.12 2.02 -0.21 -3.46 112.91 114.27 1d2b h THR 43 Ca -0.47 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 1d2b h THR 43 Cb 1.26 0.00 -0.26 0.00 -1.74 0.00 0.00 68.15 67.41 1d2b h THR 43 CO 0.93 0.00 -0.39 -0.75 0.37 0.00 0.00 175.52 175.68 1d2b s LYS 44 N -1.37 0.32 -0.10 6.66 2.20 0.45 -4.99 119.74 122.90 1d2b s LYS 44 Ca -0.04 0.45 -0.19 0.00 -0.36 0.00 0.00 55.97 55.83 1d2b s LYS 44 Cb 0.00 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.39 1d2b s LYS 44 CO 0.05 -0.07 0.52 0.00 -0.36 0.00 0.00 175.35 175.50 1d2b s MET 45 N 0.42 4.35 -0.22 4.03 0.23 -1.26 0.56 119.30 127.41 1d2b s MET 45 Ca -0.02 0.54 0.05 0.00 -1.03 0.00 0.00 55.69 55.23 1d2b s MET 45 Cb -0.04 -3.43 -0.20 0.00 -1.53 0.00 0.00 34.83 29.63 1d2b s MET 45 CO -0.02 0.15 -0.05 0.66 -2.03 0.00 0.00 175.02 173.73 1d2b n TYR 46 N 3.64 0.20 -3.98 3.16 4.02 0.22 -4.89 117.16 119.54 1d2b n TYR 46 Ca -0.06 0.05 -0.25 0.00 -0.01 0.00 0.00 57.90 57.63 1d2b n TYR 46 Cb 0.52 -1.03 -0.17 0.00 -0.02 0.00 0.00 39.34 38.64 1d2b n TYR 46 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1d2b s LYS 47 N -2.52 1.28 0.00 -0.72 2.20 0.20 -4.83 119.74 115.35 1d2b s LYS 47 Ca -0.26 -0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.17 1d2b s LYS 47 Cb 0.08 -1.36 0.00 0.00 -1.51 0.00 0.00 37.83 35.04 1d2b s LYS 47 CO 0.68 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.86 1d2b n GLY 48 N 4.77 0.02 0.36 5.54 0.00 -1.26 0.13 105.19 114.75 1d2b n GLY 48 Ca -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.87 -0.13 1.61 0.04 -1.93 2.28 116.94 117.94 1d2b h PHE 49 Ca 0.00 0.09 0.04 0.00 2.80 0.00 0.00 57.97 60.90 1d2b h PHE 49 Cb 0.00 0.51 -0.01 0.00 2.20 0.00 0.00 35.95 38.65 1d2b h PHE 49 CO 0.00 -0.39 0.20 -0.56 -0.60 0.00 0.00 178.31 176.96 1d2b h GLN 50 N -0.04 0.00 0.00 1.51 3.07 -1.97 0.52 115.11 118.20 1d2b h GLN 50 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.09 1d2b h GLN 50 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 1d2b h GLN 50 CO -0.90 0.00 -0.91 0.00 0.09 0.00 0.00 178.83 177.12 1d2b n ALA 51 N -2.22 4.48 -0.61 0.06 0.00 0.69 -4.78 120.51 118.14 1d2b n ALA 51 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 53.44 52.48 1d2b n ALA 51 Cb 0.30 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 1d2b n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1d2b n LEU 52 N -1.51 1.66 -0.06 0.00 4.77 0.30 -4.71 117.00 117.45 1d2b n LEU 52 Ca 0.04 -1.79 -0.10 0.00 -0.03 0.00 0.00 56.01 54.13 1d2b n LEU 52 Cb 0.33 -0.64 -0.04 0.00 -2.33 0.00 0.00 43.42 40.74 1d2b n LEU 52 CO 0.41 -1.56 0.61 1.23 -1.33 0.00 0.00 177.39 176.75 1d2b h GLY 53 N 16.47 -0.51 0.00 -0.72 0.00 -1.86 -3.40 103.07 113.05 1d2b h GLY 53 Ca 0.28 0.48 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1d2b h GLY 53 CO 1.96 -0.21 0.00 2.09 0.00 0.00 0.00 176.54 180.38 1d2b n ASP 54 N -5.42 0.00 0.00 0.19 5.75 -1.26 -5.04 116.55 110.76 1d2b n ASP 54 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1d2b n ASP 54 Cb 0.35 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1d2b n ALA 55 N -1.80 1.02 -3.91 2.12 0.00 -1.26 -5.02 120.51 111.66 1d2b n ALA 55 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1d2b n ALA 55 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1d2b n ALA 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b s ALA 56 N -1.42 3.64 -2.55 0.00 0.00 -1.26 -4.88 121.76 115.29 1d2b s ALA 56 Ca 0.00 -3.65 0.24 0.00 0.00 0.00 0.00 51.96 48.55 1d2b s ALA 56 Cb 0.00 -2.16 0.68 0.00 0.00 0.00 0.00 23.12 21.64 1d2b s ALA 56 CO 0.00 -2.07 1.53 -0.25 0.00 0.00 0.00 175.76 174.97 1d2b n ASP 57 N 2.34 2.19 -3.81 0.00 9.92 -1.26 -4.63 116.55 121.30 1d2b n ASP 57 Ca 0.15 -1.75 -0.28 0.00 -0.53 0.00 0.00 54.79 52.38 1d2b n ASP 57 Cb 0.34 -0.07 -0.12 0.00 -0.64 0.00 0.00 41.12 40.64 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1d2b s ILE 58 N -1.87 2.39 -0.30 0.53 -1.09 -1.26 -4.83 121.20 114.78 1d2b s ILE 58 Ca 0.34 -3.89 0.03 0.00 -2.23 0.00 0.00 60.65 54.90 1d2b s ILE 58 Cb 0.20 -2.59 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 1d2b s ILE 58 CO 0.30 -1.03 0.44 -2.11 -1.23 0.00 0.00 174.94 171.31 1d2b n ARG 59 N 2.24 1.69 -3.80 2.79 1.85 -1.26 -4.63 116.66 115.53 1d2b n ARG 59 Ca 0.20 -0.45 -0.12 0.00 -1.00 0.00 0.00 57.85 56.47 1d2b n ARG 59 Cb 0.37 -0.91 -0.10 0.00 -1.05 0.00 0.00 32.46 30.77 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1d2b s PHE 60 N -0.60 -0.13 -0.16 2.89 0.40 -1.26 -0.52 117.98 118.60 1d2b s PHE 60 Ca 0.03 0.25 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 1d2b s PHE 60 Cb 0.02 0.05 0.00 0.00 0.51 0.00 0.00 43.02 43.61 1d2b s PHE 60 CO 0.06 -0.29 -0.17 0.14 0.70 0.00 0.00 175.22 175.67 1d2b s VAL 61 N -0.95 2.46 -0.44 -0.44 -7.23 -0.32 -3.68 120.40 109.80 1d2b s VAL 61 Ca -0.10 -0.83 -0.13 0.00 -1.81 0.00 0.00 61.98 59.10 1d2b s VAL 61 Cb -0.05 -2.03 0.07 0.00 0.56 0.00 0.00 36.38 34.92 1d2b s VAL 61 CO 0.02 0.52 0.33 -0.31 -0.31 0.00 0.00 175.10 175.36 1d2b s TYR 62 N 0.95 3.27 -0.18 2.82 1.51 0.80 -1.17 117.35 125.36 1d2b s TYR 62 Ca -0.03 -1.07 -0.03 0.00 -1.01 0.00 0.00 57.07 54.93 1d2b s TYR 62 Cb -0.15 -3.00 -0.02 0.00 -0.11 0.00 0.00 41.96 38.68 1d2b s TYR 62 CO -0.03 -0.78 -0.06 -0.08 -1.11 0.00 0.00 175.55 173.49 1d2b s THR 63 N 1.58 3.47 0.26 -0.71 -1.32 0.08 -3.01 115.64 115.99 1d2b s THR 63 Ca 0.04 -0.49 -0.27 0.00 -1.21 0.00 0.00 61.69 59.76 1d2b s THR 63 Cb -0.23 -2.53 -0.16 0.00 -1.51 0.00 0.00 72.50 68.08 1d2b s THR 63 CO 0.06 0.47 0.65 -2.65 -2.21 0.00 0.00 174.62 170.94 1d2b n PRO 64 N 4.05 0.48 -3.11 7.08 -0.02 -1.25 0.19 135.00 142.42 1d2b n PRO 64 Ca -0.18 0.17 -0.43 0.00 -2.02 0.00 0.00 63.50 61.04 1d2b n PRO 64 Cb 0.52 -1.31 0.01 0.00 -0.02 0.00 0.00 33.50 32.69 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 -0.07 4.89 -2.41 3.55 0.00 2.78 -4.49 120.51 124.77 1d2b n ALA 65 Ca 0.14 -4.77 -0.09 0.00 0.00 0.00 0.00 53.44 48.72 1d2b n ALA 65 Cb 0.29 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.29 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 -2.35 0.99 0.13 0.00 -1.94 -1.26 -4.54 119.30 110.33 1d2b s MET 66 Ca 0.31 -1.27 -0.30 0.00 -1.71 0.00 0.00 55.69 52.72 1d2b s MET 66 Cb 0.00 0.30 -0.07 0.00 2.01 0.00 0.00 34.83 37.08 1d2b s MET 66 CO 0.05 -0.31 1.04 -1.21 -0.01 0.00 0.00 175.02 174.58 1d2b s GLU 67 N -3.99 4.62 -1.56 2.03 2.02 -1.26 -3.37 118.70 117.20 1d2b s GLU 67 Ca 0.18 1.60 -0.04 0.00 0.02 0.00 0.00 54.97 56.74 1d2b s GLU 67 Cb 0.06 -3.33 0.01 0.00 0.10 0.00 0.00 34.13 30.97 1d2b s GLU 67 CO -0.01 0.10 0.41 0.45 0.02 0.00 0.00 175.26 176.24 1d2b n SER 68 N 2.72 -5.69 -4.98 -0.19 2.88 -1.26 -4.97 113.62 102.13 1d2b n SER 68 Ca 0.03 -0.20 -0.20 0.00 -1.33 0.00 0.00 58.87 57.17 1d2b n SER 68 Cb 0.48 -4.65 0.01 0.00 -0.75 0.00 0.00 64.21 59.30 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1d2b s VAL 69 N -3.09 3.50 -1.19 2.46 0.11 -1.22 -4.12 120.40 116.87 1d2b s VAL 69 Ca 0.22 -0.76 -0.08 0.00 -2.93 0.00 0.00 61.98 58.43 1d2b s VAL 69 Cb -0.10 -3.25 0.23 0.00 -1.53 0.00 0.00 36.38 31.72 1d2b s VAL 69 CO 0.27 -0.14 1.60 0.00 -3.33 0.00 0.00 175.10 173.50 1d2b n GLY 71 N 2.49 0.09 3.52 0.00 0.00 -1.26 -4.02 105.19 106.01 1d2b n GLY 71 Ca 0.33 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.04 -0.38 -0.41 1.61 5.04 -1.26 -2.89 117.35 119.01 1d2b s TYR 72 Ca 0.00 0.39 0.04 0.00 -2.44 0.00 0.00 57.07 55.06 1d2b s TYR 72 Cb 0.00 0.51 0.17 0.00 0.35 0.00 0.00 41.96 42.99 1d2b s TYR 72 CO 0.00 -0.51 0.37 -0.06 -1.34 0.00 0.00 175.55 174.00 1d2b s PHE 73 N -2.49 0.74 -0.49 4.97 0.08 -1.26 -4.94 117.98 114.59 1d2b s PHE 73 Ca 0.02 -2.04 -0.15 0.00 0.12 0.00 0.00 56.93 54.88 1d2b s PHE 73 Cb -0.01 -0.78 0.10 0.00 -0.57 0.00 0.00 43.02 41.76 1d2b s PHE 73 CO -0.05 -0.88 0.42 -1.58 -0.10 0.00 0.00 175.22 173.03 1d2b s HIS 74 N 0.28 3.26 -0.42 0.36 5.65 -1.26 -4.89 115.29 118.27 1d2b s HIS 74 Ca 0.31 -1.13 0.16 0.00 0.25 0.00 0.00 55.06 54.64 1d2b s HIS 74 Cb 0.00 -3.39 0.66 0.00 -1.18 0.00 0.00 32.58 28.68 1d2b s HIS 74 CO -0.16 -0.89 1.58 0.54 -0.65 0.00 0.00 174.74 175.16 1d2b n ARG 75 N 5.19 3.84 -3.43 2.88 3.00 -1.26 -4.80 116.66 122.08 1d2b n ARG 75 Ca -0.13 -2.93 -0.25 0.00 -0.01 0.00 0.00 57.85 54.53 1d2b n ARG 75 Cb 0.42 -1.98 -0.11 0.00 0.00 0.00 0.00 32.46 30.79 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 -1.25 2.39 -0.04 0.55 0.01 -1.26 -4.97 113.70 109.13 1d2b s SER 76 Ca 0.47 -1.99 0.00 0.00 1.31 0.00 0.00 55.95 55.75 1d2b s SER 76 Cb 0.35 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.54 1d2b s SER 76 CO 0.15 -0.29 1.30 0.00 0.41 0.00 0.00 173.24 174.81 1d2b n HIS 77 N 4.11 0.22 -1.77 2.43 1.44 -1.26 -4.66 115.22 115.73 1d2b n HIS 77 Ca 0.12 -0.73 -0.43 0.00 -2.01 0.00 0.00 57.72 54.66 1d2b n HIS 77 Cb 0.40 -0.37 -0.03 0.00 0.12 0.00 0.00 29.99 30.11 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 1.06 5.94 0.27 4.39 3.84 -1.26 -4.74 114.94 124.44 1d2b s ASN 78 Ca 0.04 1.97 0.14 0.00 0.21 0.00 0.00 52.86 55.22 1d2b s ASN 78 Cb 0.04 -2.52 0.21 0.00 -0.55 0.00 0.00 41.25 38.42 1d2b s ASN 78 CO 0.01 -1.56 1.51 0.03 -2.79 0.00 0.00 177.10 174.29 1d2b h ARG 79 N 12.80 0.00 0.00 0.43 2.47 -1.88 -2.63 114.38 125.57 1d2b h ARG 79 Ca -0.41 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.31 1d2b h ARG 79 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 1d2b h ARG 79 CO 0.97 0.60 -1.44 0.43 0.56 0.00 0.00 179.97 181.09 1d2b n SER 80 N -3.42 0.92 -4.68 7.04 7.64 -1.26 -4.72 113.62 115.15 1d2b n SER 80 Ca 0.00 -0.32 -0.42 0.00 1.01 0.00 0.00 58.87 59.14 1d2b n SER 80 Cb 0.71 1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 65.39 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1d2b s GLU 81 N -3.00 4.35 1.11 1.43 2.12 -1.24 -5.02 118.70 118.45 1d2b s GLU 81 Ca -0.02 1.22 -0.14 0.00 0.36 0.00 0.00 54.97 56.39 1d2b s GLU 81 Cb 0.12 -3.57 0.25 0.00 0.26 0.00 0.00 34.13 31.19 1d2b s GLU 81 CO 0.72 -0.35 1.06 -1.21 -0.54 0.00 0.00 175.26 174.94 1d2b s GLU 82 N 2.19 -0.46 0.32 4.30 2.02 -1.26 -4.25 118.70 121.55 1d2b s GLU 82 Ca 0.43 0.51 -0.15 0.00 0.02 0.00 0.00 54.97 55.78 1d2b s GLU 82 Cb -0.17 -1.63 0.02 0.00 0.10 0.00 0.00 34.13 32.45 1d2b s GLU 82 CO 0.14 -3.33 0.66 -0.06 0.02 0.00 0.00 175.26 172.70 1d2b s PHE 83 N -2.77 0.20 -0.16 1.61 0.08 0.34 -4.30 117.98 112.97 1d2b s PHE 83 Ca 0.67 -0.68 0.01 0.00 0.12 0.00 0.00 56.93 57.05 1d2b s PHE 83 Cb -0.20 0.54 0.02 0.00 -0.57 0.00 0.00 43.02 42.82 1d2b s PHE 83 CO 0.60 -1.29 -0.18 -1.17 -0.10 0.00 0.00 175.22 173.07 1d2b s LEU 84 N -3.03 1.98 -0.26 -0.37 1.98 0.11 -1.84 118.68 117.23 1d2b s LEU 84 Ca 0.17 -0.58 0.01 0.00 -2.89 0.00 0.00 54.13 50.85 1d2b s LEU 84 Cb -0.04 -1.36 0.07 0.00 0.66 0.00 0.00 46.19 45.52 1d2b s LEU 84 CO 0.11 0.00 -0.03 -0.63 -1.89 0.00 0.00 176.35 173.91 1d2b s ILE 85 N 1.23 1.67 -0.29 6.68 -1.09 0.19 -2.15 121.20 127.43 1d2b s ILE 85 Ca 0.02 -1.48 -0.15 0.00 -2.23 0.00 0.00 60.65 56.81 1d2b s ILE 85 Cb -0.14 -1.99 -0.03 0.00 -1.58 0.00 0.00 42.46 38.72 1d2b s ILE 85 CO -0.09 -0.24 0.37 0.00 -1.23 0.00 0.00 174.94 173.75 1d2b s ALA 86 N 1.30 3.54 -0.24 9.38 0.00 -0.67 -0.33 121.76 134.73 1d2b s ALA 86 Ca -0.02 -0.93 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 1d2b s ALA 86 Cb -0.19 -2.74 0.16 0.00 0.00 0.00 0.00 23.12 20.35 1d2b s ALA 86 CO -0.08 -0.78 1.21 0.20 0.00 0.00 0.00 175.76 176.31 1d2b s GLY 87 N 1.68 -0.02 0.78 0.00 0.00 0.61 -4.45 107.32 105.91 1d2b s GLY 87 Ca 0.14 2.64 -0.08 0.00 0.00 0.00 0.00 44.72 47.42 1d2b s GLY 87 CO 0.11 1.27 1.10 0.54 0.00 0.00 0.00 173.10 176.12 1d2b s LYS 88 N -0.77 1.70 -0.20 2.90 1.02 -1.16 0.15 119.74 123.38 1d2b s LYS 88 Ca 0.04 -0.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.60 1d2b s LYS 88 Cb -0.02 -2.10 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 1d2b s LYS 88 CO -0.06 -1.59 -0.12 -0.51 -0.92 0.00 0.00 175.35 172.15 1d2b s LEU 89 N -5.41 2.56 -0.31 3.17 1.43 -1.26 -0.40 118.68 118.46 1d2b s LEU 89 Ca 0.65 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 1d2b s LEU 89 Cb -0.08 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1d2b s LEU 89 CO 0.47 -0.02 0.47 -1.10 0.23 0.00 0.00 176.35 176.39 1d2b s GLN 90 N 1.37 3.79 -0.06 1.70 -0.21 0.48 -4.34 119.66 122.38 1d2b s GLN 90 Ca 0.05 -0.05 0.00 0.00 0.02 0.00 0.00 55.36 55.38 1d2b s GLN 90 Cb -0.14 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.13 1d2b s GLN 90 CO -0.08 -0.50 0.00 -0.25 -2.12 0.00 0.00 175.29 172.34 1d2b n ASP 91 N 5.58 -0.84 0.00 5.90 9.92 -1.26 0.57 116.55 136.42 1d2b n ASP 91 Ca -0.06 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.54 1d2b n ASP 91 Cb 0.49 -0.97 0.00 0.00 -0.64 0.00 0.00 41.12 40.01 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 -0.36 3.40 3.75 0.44 0.00 -1.26 -5.10 105.19 106.07 1d2b n GLY 92 Ca -0.01 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 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 4.49 -0.29 0.99 2.01 0.19 -4.90 118.68 121.17 1d2b s LEU 93 Ca 0.00 2.24 -0.29 0.00 0.01 0.00 0.00 54.13 56.09 1d2b s LEU 93 Cb 0.00 -3.62 0.01 0.00 0.01 0.00 0.00 46.19 42.59 1d2b s LEU 93 CO 0.00 -0.27 1.18 -0.22 1.01 0.00 0.00 176.35 178.05 1d2b s LEU 94 N -0.76 3.95 -0.10 1.79 2.96 -1.24 0.18 118.68 125.45 1d2b s LEU 94 Ca 0.49 1.19 -0.06 0.00 -0.22 0.00 0.00 54.13 55.53 1d2b s LEU 94 Cb -0.32 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.79 1d2b s LEU 94 CO 0.39 -0.93 0.13 -1.00 -1.32 0.00 0.00 176.35 173.61 1d2b s HIS 95 N 3.89 3.56 0.06 5.38 3.76 0.46 0.28 115.29 132.67 1d2b s HIS 95 Ca 0.50 0.48 0.03 0.00 -0.15 0.00 0.00 55.06 55.93 1d2b s HIS 95 Cb -0.15 -1.91 -0.03 0.00 1.11 0.00 0.00 32.58 31.60 1d2b s HIS 95 CO 0.18 0.71 -0.10 0.96 -0.85 0.00 0.00 174.74 175.63 1d2b s ILE 96 N -1.05 0.76 -0.00 0.60 -0.00 -1.16 -2.98 121.20 117.36 1d2b s ILE 96 Ca 0.16 -1.19 0.01 0.00 -0.00 0.00 0.00 60.65 59.63 1d2b s ILE 96 Cb -0.12 -0.82 -0.00 0.00 -0.00 0.00 0.00 42.46 41.52 1d2b s ILE 96 CO 0.06 -0.34 -0.05 0.42 -0.00 0.00 0.00 174.94 175.03 1d2b s THR 97 N -1.42 0.35 -1.73 8.37 -4.23 -1.14 -4.32 115.64 111.53 1d2b s THR 97 Ca -0.06 -0.19 0.00 0.00 -1.18 0.00 0.00 61.69 60.25 1d2b s THR 97 Cb -0.09 -0.30 0.00 0.00 1.34 0.00 0.00 72.50 73.44 1d2b s THR 97 CO 0.01 0.10 0.54 0.35 -0.54 0.00 0.00 174.62 175.08 1d2b n THR 98 N 2.97 0.27 -1.31 3.99 -2.24 -1.22 0.92 114.28 117.66 1d2b n THR 98 Ca -0.13 0.07 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 1d2b n THR 98 Cb 0.58 -1.07 0.20 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.64 3.43 -0.51 0.00 0.01 0.26 -4.71 113.70 109.54 1d2b s SER 100 Ca 0.40 -1.04 -0.28 0.00 1.31 0.00 0.00 55.95 56.34 1d2b s SER 100 Cb 0.36 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.31 1d2b s SER 100 CO 0.01 -0.02 1.56 0.12 0.41 0.00 0.00 173.24 175.32 1d2b s PHE 101 N -2.60 2.11 -0.26 2.43 2.19 -1.26 -4.58 117.98 116.02 1d2b s PHE 101 Ca 0.29 0.58 -0.02 0.00 0.33 0.00 0.00 56.93 58.11 1d2b s PHE 101 Cb -0.04 -4.28 0.12 0.00 -1.31 0.00 0.00 43.02 37.51 1d2b s PHE 101 CO 0.14 -2.20 0.26 0.08 1.83 0.00 0.00 175.22 175.33 1d2b s VAL 102 N 6.63 -0.37 0.30 3.12 1.01 -1.26 -1.68 120.40 128.15 1d2b s VAL 102 Ca 0.61 -0.34 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 1d2b s VAL 102 Cb -0.13 -0.86 0.03 0.00 0.00 0.00 0.00 36.38 35.41 1d2b s VAL 102 CO 0.27 -0.37 0.73 0.00 0.00 0.00 0.00 175.10 175.73 1d2b s ALA 103 N 2.35 -1.08 0.10 5.51 0.00 -0.92 -5.02 121.76 122.69 1d2b s ALA 103 Ca 0.09 -0.43 -0.33 0.00 0.00 0.00 0.00 51.96 51.29 1d2b s ALA 103 Cb -0.15 0.82 -0.12 0.00 0.00 0.00 0.00 23.12 23.67 1d2b s ALA 103 CO -0.24 -1.02 1.73 -2.30 0.00 0.00 0.00 175.76 173.92 1d2b n PRO 104 N -0.47 2.38 -0.03 0.00 -0.02 -1.26 0.06 135.00 135.65 1d2b n PRO 104 Ca -0.05 0.86 -0.08 0.00 -2.02 0.00 0.00 63.50 62.21 1d2b n PRO 104 Cb 0.59 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.36 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 7.42 -0.44 0.00 6.00 -0.00 -1.75 -0.89 115.95 126.29 1d2b h TRP 105 Ca -0.46 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.46 1d2b h TRP 105 Cb 1.24 0.22 0.00 0.00 -0.00 0.00 0.00 29.16 30.63 1d2b h TRP 105 CO 0.73 -0.25 0.00 0.09 -0.00 0.00 0.00 178.44 179.01 1d2b n ASN 106 N -5.32 0.00 -0.06 2.65 3.02 -1.26 0.14 115.26 114.43 1d2b n ASN 106 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.54 1d2b n ASN 106 Cb 0.24 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.42 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 -0.36 1.42 -4.95 6.41 7.64 -0.34 -5.04 113.62 118.39 1d2b n SER 107 Ca 0.00 -1.35 -0.23 0.00 1.01 0.00 0.00 58.87 58.30 1d2b n SER 107 Cb 0.00 -0.01 0.04 0.00 -1.01 0.00 0.00 64.21 63.23 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 -0.39 3.25 -0.31 -3.43 1.02 0.38 -5.04 118.68 114.17 1d2b s LEU 108 Ca 0.02 0.25 -0.29 0.00 0.02 0.00 0.00 54.13 54.13 1d2b s LEU 108 Cb 0.01 -3.07 -0.00 0.00 0.02 0.00 0.00 46.19 43.15 1d2b s LEU 108 CO 0.02 -1.14 1.35 -0.44 0.02 0.00 0.00 176.35 176.16 1d2b s SER 109 N -4.39 6.59 0.39 2.29 0.01 -1.26 -4.86 113.70 112.48 1d2b s SER 109 Ca 0.56 1.20 0.34 0.00 1.31 0.00 0.00 55.95 59.35 1d2b s SER 109 Cb -0.10 -2.54 1.25 0.00 0.21 0.00 0.00 66.02 64.84 1d2b s SER 109 CO 0.41 -1.15 1.18 0.00 0.41 0.00 0.00 173.24 174.08 1d2b n LEU 110 N 7.88 0.05 0.06 2.44 -0.00 -1.26 0.45 117.00 126.61 1d2b n LEU 110 Ca 0.15 0.84 -0.13 0.00 -0.00 0.00 0.00 56.01 56.88 1d2b n LEU 110 Cb 0.47 -0.42 -0.14 0.00 -0.00 0.00 0.00 43.42 43.33 1d2b n LEU 110 CO 0.64 -0.87 -0.19 0.00 -0.00 0.00 0.00 177.39 176.97 1d2b h ALA 111 N 0.89 0.34 -0.00 1.47 0.00 -2.00 -3.09 119.26 116.87 1d2b h ALA 111 Ca 0.70 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1d2b h ALA 111 Cb 2.63 0.15 0.00 0.00 0.00 0.00 0.00 17.79 20.57 1d2b h ALA 111 CO -0.12 1.21 -0.11 0.94 0.00 0.00 0.00 179.25 181.17 1d2b n GLN 112 N -3.38 0.79 0.01 0.00 7.27 1.55 0.90 117.38 124.52 1d2b n GLN 112 Ca -0.11 -0.30 -0.18 0.00 0.07 0.00 0.00 57.00 56.49 1d2b n GLN 112 Cb 1.01 -1.49 -0.12 0.00 2.41 0.00 0.00 30.24 32.05 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 0.72 0.33 0.00 3.69 9.65 0.27 0.12 114.38 129.17 1d2b h ARG 113 Ca 0.00 -0.40 -0.00 0.00 -1.10 0.00 0.00 59.98 58.47 1d2b h ARG 113 Cb 0.36 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 1d2b h ARG 113 CO 0.00 1.10 -0.02 0.07 2.80 0.00 0.00 179.97 183.92 1d2b h ARG 114 N -0.26 0.01 -0.48 0.20 -0.00 -1.41 -3.26 114.38 109.19 1d2b h ARG 114 Ca -0.08 -0.01 0.09 0.00 -0.00 0.00 0.00 59.98 59.98 1d2b h ARG 114 Cb 1.33 0.00 -0.08 0.00 -0.00 0.00 0.00 29.97 31.22 1d2b h ARG 114 CO 0.11 0.97 -0.05 0.78 -0.00 0.00 0.00 179.97 181.77 1d2b h GLY 115 N -0.94 0.42 2.00 0.08 0.00 0.40 1.23 103.07 106.26 1d2b h GLY 115 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1d2b h GLY 115 CO 0.00 -0.16 0.00 0.69 0.00 0.00 0.00 176.54 177.08 1d2b n PHE 116 N -5.28 0.40 0.38 5.60 3.72 0.42 0.41 117.46 123.11 1d2b n PHE 116 Ca 0.04 0.21 0.11 0.00 -0.05 0.00 0.00 57.45 57.76 1d2b n PHE 116 Cb 0.26 -0.83 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 1d2b n PHE 116 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1d2b n THR 117 N -1.91 0.20 0.00 4.37 5.66 0.39 -4.67 114.28 118.32 1d2b n THR 117 Ca -0.01 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.65 1d2b n THR 117 Cb 0.03 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.92 1d2b n THR 117 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1d2b n LYS 118 N -2.13 0.00 0.07 1.09 2.85 0.34 -4.98 118.16 115.40 1d2b n LYS 118 Ca 0.00 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.16 1d2b n LYS 118 Cb 0.48 -0.48 -0.01 0.00 -0.65 0.00 0.00 35.03 34.37 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 1.44 -0.59 0.58 1.35 0.78 -3.37 112.91 113.10 1d2b h THR 119 Ca 0.00 -2.47 -0.04 0.00 -0.55 0.00 0.00 66.41 63.35 1d2b h THR 119 Cb 0.00 2.38 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1d2b h THR 119 CO 0.00 0.73 0.05 -1.22 -0.25 0.00 0.00 175.52 174.83 1d2b n TYR 120 N -3.72 2.11 -0.08 4.73 4.01 -1.06 -1.96 117.16 121.19 1d2b n TYR 120 Ca -0.05 -0.82 -0.05 0.00 -0.16 0.00 0.00 57.90 56.82 1d2b n TYR 120 Cb 0.79 -0.54 -0.16 0.00 -0.31 0.00 0.00 39.34 39.13 1d2b n TYR 120 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1d2b n THR 121 N 0.43 1.04 0.00 -0.72 5.66 -1.26 -3.51 114.28 115.92 1d2b n THR 121 Ca 0.30 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1d2b n THR 121 Cb 1.22 -0.37 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1d2b n VAL 122 N -2.62 0.00 -1.94 1.08 0.31 -1.26 -4.73 118.33 109.18 1d2b n VAL 122 Ca -0.26 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 1d2b n VAL 122 Cb 1.01 -0.29 0.10 0.00 -0.91 0.00 0.00 33.84 33.74 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 2.51 5.26 3.23 2.92 0.00 -0.83 -4.97 105.19 113.32 1d2b n GLY 123 Ca 0.00 -1.90 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N 6.22 2.40 0.00 0.00 0.28 -1.26 -4.14 120.64 124.14 1d2b n GLU 125 Ca 0.25 -4.24 0.08 0.00 -0.16 0.00 0.00 57.16 53.09 1d2b n GLU 125 Cb 0.26 -2.00 0.07 0.00 1.43 0.00 0.00 31.44 31.20 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36