#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 1.59 -2.31 0.00 -2.24 -1.26 -3.21 114.28 106.85 1d2b n THR 2 Ca 0.00 -1.52 -0.27 0.00 -2.27 0.00 0.00 64.05 59.99 1d2b n THR 2 Cb 0.00 -2.21 0.16 0.00 -2.10 0.00 0.00 70.33 66.18 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 -3.53 4.94 -0.55 0.00 0.11 -1.26 -4.68 120.40 115.43 1d2b s VAL 4 Ca 0.72 -0.47 -0.42 0.00 -2.93 0.00 0.00 61.98 58.88 1d2b s VAL 4 Cb -0.03 -3.34 -0.19 0.00 -1.53 0.00 0.00 36.38 31.29 1d2b s VAL 4 CO 0.49 0.23 2.21 -2.65 -3.33 0.00 0.00 175.10 172.05 1d2b n PRO 5 N 0.72 0.09 -2.93 1.54 -0.02 -1.26 -4.87 135.00 128.27 1d2b n PRO 5 Ca -0.09 0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1d2b n PRO 5 Cb 0.52 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.35 1d2b n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1d2b s PRO 6 N 6.39 4.62 -0.04 0.52 0.04 -1.26 -4.95 135.00 140.32 1d2b s PRO 6 Ca 1.21 1.22 -0.19 0.00 0.04 0.00 0.00 61.00 63.29 1d2b s PRO 6 Cb -1.41 -3.27 -0.09 0.00 0.04 0.00 0.00 34.50 29.77 1d2b s PRO 6 CO 0.62 0.55 0.53 0.72 0.04 0.00 0.00 177.00 179.46 1d2b n HIS 7 N 1.63 0.38 0.61 0.56 8.25 -1.26 -4.43 115.22 120.96 1d2b n HIS 7 Ca -0.05 0.48 0.08 0.00 -0.26 0.00 0.00 57.72 57.98 1d2b n HIS 7 Cb 0.48 -0.95 0.36 0.00 1.12 0.00 0.00 29.99 31.01 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 0.88 0.05 0.02 -0.41 -0.04 -1.08 0.63 135.00 135.04 1d2b n PRO 8 Ca 0.10 0.20 -0.11 0.00 -0.04 0.00 0.00 63.50 63.64 1d2b n PRO 8 Cb 0.02 -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 -0.56 -0.04 0.00 0.00 175.50 174.90 1d2b h GLN 9 N 0.00 0.55 0.04 0.54 3.07 -0.29 0.22 115.11 119.24 1d2b h GLN 9 Ca 0.00 -0.41 -0.29 0.00 0.09 0.00 0.00 58.65 58.03 1d2b h GLN 9 Cb 0.25 0.07 -0.03 0.00 0.08 0.00 0.00 27.48 27.85 1d2b h GLN 9 CO 0.00 1.04 -1.62 2.41 0.09 0.00 0.00 178.83 180.75 1d2b n THR 10 N -3.90 1.61 -0.24 1.86 -1.04 -0.72 -3.68 114.28 108.16 1d2b n THR 10 Ca -0.05 -0.25 -0.01 0.00 -2.04 0.00 0.00 64.05 61.70 1d2b n THR 10 Cb 0.68 -1.92 0.10 0.00 -1.82 0.00 0.00 70.33 67.37 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 -0.35 0.91 0.32 2.41 0.00 0.13 0.38 119.26 123.06 1d2b h ALA 11 Ca -0.41 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1d2b h ALA 11 Cb 1.56 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1d2b h ALA 11 CO -0.14 0.05 -0.16 0.35 0.00 0.00 0.00 179.25 179.36 1d2b h PHE 12 N 0.69 -0.40 0.00 0.00 3.57 -0.74 -2.15 116.94 117.91 1d2b h PHE 12 Ca 0.31 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1d2b h PHE 12 Cb 0.20 0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1d2b h PHE 12 CO -0.08 -0.25 0.00 0.00 -2.23 0.00 0.00 178.31 175.75 1d2b h ASN 14 N 0.00 0.34 -3.90 0.00 -0.73 -0.30 -3.46 115.58 107.53 1d2b h ASN 14 Ca 0.00 -0.84 -0.52 0.00 1.87 0.00 0.00 56.30 56.81 1d2b h ASN 14 Cb 0.28 -0.11 0.06 0.00 0.27 0.00 0.00 38.32 38.82 1d2b h ASN 14 CO 0.00 1.73 0.60 -0.55 -0.37 0.00 0.00 177.43 178.84 1d2b s SER 15 N -7.02 6.68 -0.08 1.15 0.15 -0.81 -4.92 113.70 108.84 1d2b s SER 15 Ca -0.23 2.59 0.16 0.00 0.70 0.00 0.00 55.95 59.18 1d2b s SER 15 Cb 0.06 -2.64 0.62 0.00 -1.71 0.00 0.00 66.02 62.35 1d2b s SER 15 CO 0.74 -0.59 1.51 0.47 1.20 0.00 0.00 173.24 176.57 1d2b n ASP 16 N 0.58 4.08 -3.55 5.45 9.92 -1.25 -4.82 116.55 126.96 1d2b n ASP 16 Ca 0.01 -2.33 -0.01 0.00 -0.53 0.00 0.00 54.79 51.93 1d2b n ASP 16 Cb 0.43 -0.52 -0.05 0.00 -0.64 0.00 0.00 41.12 40.34 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 -1.56 -0.72 -0.02 0.64 1.02 0.45 -4.35 118.68 114.15 1d2b s LEU 17 Ca 0.44 1.04 -0.00 0.00 0.02 0.00 0.00 54.13 55.63 1d2b s LEU 17 Cb 0.28 1.90 0.03 0.00 0.02 0.00 0.00 46.19 48.41 1d2b s LEU 17 CO 0.23 -0.15 0.04 -0.69 0.02 0.00 0.00 176.35 175.79 1d2b s VAL 18 N 2.14 -0.05 0.00 -1.59 1.01 -0.58 0.24 120.40 121.56 1d2b s VAL 18 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1d2b s VAL 18 Cb -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1d2b s VAL 18 CO -0.17 0.08 0.00 2.30 0.00 0.00 0.00 175.10 177.31 1d2b n ILE 19 N 4.09 0.00 -4.32 2.22 -0.00 -0.65 0.18 119.36 120.88 1d2b n ILE 19 Ca -0.26 0.00 -0.21 0.00 -0.00 0.00 0.00 62.75 62.28 1d2b n ILE 19 Cb 0.51 0.00 -0.16 0.00 -0.00 0.00 0.00 39.64 39.99 1d2b n ILE 19 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1d2b s ARG 20 N -1.29 1.01 0.26 6.28 1.70 0.22 -0.81 118.95 126.33 1d2b s ARG 20 Ca 0.00 -0.23 -0.10 0.00 -0.47 0.00 0.00 55.73 54.93 1d2b s ARG 20 Cb 0.00 -0.94 -0.01 0.00 -0.57 0.00 0.00 34.95 33.43 1d2b s ARG 20 CO 0.00 0.02 0.45 0.00 -1.08 0.00 0.00 175.30 174.69 1d2b s ALA 21 N 0.56 0.08 0.06 7.88 0.00 -0.13 -0.46 121.76 129.75 1d2b s ALA 21 Ca -0.09 -1.08 0.07 0.00 0.00 0.00 0.00 51.96 50.86 1d2b s ALA 21 Cb -0.12 1.11 -0.03 0.00 0.00 0.00 0.00 23.12 24.07 1d2b s ALA 21 CO 0.01 -0.82 -0.16 0.15 0.00 0.00 0.00 175.76 174.94 1d2b s LYS 22 N -3.81 2.07 -0.29 0.00 1.02 0.85 0.23 119.74 119.81 1d2b s LYS 22 Ca 0.26 -1.00 -0.17 0.00 0.02 0.00 0.00 55.97 55.08 1d2b s LYS 22 Cb 0.00 -2.21 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1d2b s LYS 22 CO 0.11 0.53 0.46 -0.06 -0.92 0.00 0.00 175.35 175.47 1d2b s PHE 23 N -1.00 3.23 0.00 3.18 0.08 -1.26 0.41 117.98 122.62 1d2b s PHE 23 Ca 0.16 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.62 1d2b s PHE 23 Cb -0.11 -2.72 0.00 0.00 -0.57 0.00 0.00 43.02 39.63 1d2b s PHE 23 CO 0.07 -0.34 0.00 1.33 -0.10 0.00 0.00 175.22 176.18 1d2b n VAL 24 N 5.22 0.00 -0.45 -0.44 0.24 -0.76 -4.06 118.33 118.07 1d2b n VAL 24 Ca -0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.02 1d2b n VAL 24 Cb 0.50 -0.24 0.19 0.00 -1.47 0.00 0.00 33.84 32.82 1d2b n VAL 24 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1d2b n GLY 25 N 3.85 -2.85 3.97 7.63 0.00 -1.01 -4.87 105.19 111.91 1d2b n GLY 25 Ca 0.00 -1.07 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1d2b n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d2b s THR 26 N -2.10 2.55 -0.39 2.61 -4.23 -1.26 -3.99 115.64 108.84 1d2b s THR 26 Ca 0.46 -1.14 -0.29 0.00 -1.18 0.00 0.00 61.69 59.54 1d2b s THR 26 Cb -0.09 -2.69 0.02 0.00 1.34 0.00 0.00 72.50 71.08 1d2b s THR 26 CO 0.42 0.00 1.17 -2.16 -0.54 0.00 0.00 174.62 173.51 1d2b s PRO 27 N -4.37 3.86 -0.36 3.99 0.04 -1.26 -4.01 135.00 132.90 1d2b s PRO 27 Ca 0.53 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.33 1d2b s PRO 27 Cb -0.06 -3.85 -0.00 0.00 0.04 0.00 0.00 34.50 30.62 1d2b s PRO 27 CO 0.32 -1.19 0.24 -1.21 0.04 0.00 0.00 177.00 175.21 1d2b s GLU 28 N 4.17 3.31 -0.56 4.56 2.02 -1.17 -4.92 118.70 126.12 1d2b s GLU 28 Ca 0.50 -0.77 -0.12 0.00 0.02 0.00 0.00 54.97 54.60 1d2b s GLU 28 Cb -0.11 -3.82 0.14 0.00 0.10 0.00 0.00 34.13 30.44 1d2b s GLU 28 CO 0.25 -0.53 0.47 0.08 0.02 0.00 0.00 175.26 175.55 1d2b s VAL 29 N 1.69 4.71 0.63 2.63 1.01 -1.26 -2.03 120.40 127.79 1d2b s VAL 29 Ca 0.05 -1.89 -0.17 0.00 0.00 0.00 0.00 61.98 59.97 1d2b s VAL 29 Cb -0.18 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 1d2b s VAL 29 CO 0.10 -0.85 1.16 0.21 0.00 0.00 0.00 175.10 175.71 1d2b s ASN 30 N 2.74 5.09 0.27 3.32 2.47 -1.26 -4.89 114.94 122.68 1d2b s ASN 30 Ca 0.08 2.21 0.25 0.00 0.42 0.00 0.00 52.86 55.82 1d2b s ASN 30 Cb -0.24 -2.58 0.61 0.00 -1.45 0.00 0.00 41.25 37.59 1d2b s ASN 30 CO -0.01 -1.65 1.67 1.56 -3.72 0.00 0.00 177.10 174.95 1d2b h GLN 31 N 0.46 0.00 -2.24 0.43 1.08 -1.98 -3.37 115.11 109.50 1d2b h GLN 31 Ca -0.49 0.00 -0.58 0.00 -1.45 0.00 0.00 58.65 56.13 1d2b h GLN 31 Cb 1.27 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.31 1d2b h GLN 31 CO 0.54 0.00 -0.98 2.41 -0.95 0.00 0.00 178.83 179.85 1d2b n THR 32 N -2.50 -0.56 0.16 -0.54 -1.04 -1.26 -4.79 114.28 103.74 1d2b n THR 32 Ca 0.05 -3.90 0.00 0.00 -2.04 0.00 0.00 64.05 58.16 1d2b n THR 32 Cb 0.46 -1.85 0.00 0.00 -1.82 0.00 0.00 70.33 67.12 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 2.02 0.00 -0.30 12.58 5.66 -1.26 -4.99 114.28 127.99 1d2b n THR 33 Ca 0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 1d2b n THR 33 Cb 0.49 -0.36 0.00 0.00 -1.55 0.00 0.00 70.33 68.91 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 -3.38 0.00 -4.06 1.09 4.77 -1.26 -4.92 117.00 109.24 1d2b n LEU 34 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1d2b n LEU 34 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 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 -2.71 0.63 0.28 -1.77 1.13 -1.26 0.75 117.35 114.41 1d2b s TYR 35 Ca 0.00 -1.02 0.05 0.00 -1.41 0.00 0.00 57.07 54.69 1d2b s TYR 35 Cb 0.00 -0.30 -0.06 0.00 -1.10 0.00 0.00 41.96 40.50 1d2b s TYR 35 CO 0.00 -0.58 -0.02 -0.65 -2.51 0.00 0.00 175.55 171.78 1d2b s GLN 36 N -4.00 1.54 -0.16 -3.49 -0.21 0.45 -3.99 119.66 109.80 1d2b s GLN 36 Ca 0.19 -1.80 -0.05 0.00 0.02 0.00 0.00 55.36 53.73 1d2b s GLN 36 Cb 0.06 -1.00 0.06 0.00 1.00 0.00 0.00 33.01 33.13 1d2b s GLN 36 CO -0.00 -0.04 0.09 -0.98 -2.12 0.00 0.00 175.29 172.24 1d2b s ARG 37 N -3.79 0.06 0.34 2.91 1.04 -0.86 -2.12 118.95 116.52 1d2b s ARG 37 Ca 0.31 -0.06 -0.15 0.00 -1.04 0.00 0.00 55.73 54.79 1d2b s ARG 37 Cb 0.05 -1.77 -0.09 0.00 -2.04 0.00 0.00 34.95 31.10 1d2b s ARG 37 CO 0.12 -0.65 0.75 0.71 -0.04 0.00 0.00 175.30 176.19 1d2b s TYR 38 N 2.14 3.38 -0.13 5.89 2.02 -0.71 -3.03 117.35 126.91 1d2b s TYR 38 Ca 0.02 1.23 -0.07 0.00 -0.37 0.00 0.00 57.07 57.88 1d2b s TYR 38 Cb -0.16 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.82 1d2b s TYR 38 CO -0.09 0.07 0.11 -1.21 -1.57 0.00 0.00 175.55 172.86 1d2b s GLU 39 N -3.06 3.53 -0.02 -0.62 2.02 -1.26 -0.91 118.70 118.39 1d2b s GLU 39 Ca 0.54 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.33 1d2b s GLU 39 Cb -0.10 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 30.98 1d2b s GLU 39 CO 0.18 0.64 -0.02 0.96 0.02 0.00 0.00 175.26 177.04 1d2b s ILE 40 N -0.64 0.26 -1.13 -1.63 -4.36 -0.60 -1.82 121.20 111.27 1d2b s ILE 40 Ca 0.12 -0.06 -0.22 0.00 -0.26 0.00 0.00 60.65 60.24 1d2b s ILE 40 Cb -0.12 -0.28 -0.00 0.00 1.25 0.00 0.00 42.46 43.31 1d2b s ILE 40 CO 0.02 0.12 1.78 -0.54 0.24 0.00 0.00 174.94 176.56 1d2b s LYS 41 N 0.42 3.17 0.17 0.37 -0.14 1.35 -4.64 119.74 120.44 1d2b s LYS 41 Ca -0.04 -1.22 -0.34 0.00 -1.36 0.00 0.00 55.97 53.01 1d2b s LYS 41 Cb -0.07 -5.32 -0.14 0.00 -1.68 0.00 0.00 37.83 30.62 1d2b s LYS 41 CO -0.01 -2.99 1.58 -0.12 -0.76 0.00 0.00 175.35 173.06 1d2b n MET 42 N 8.56 2.21 -0.04 1.68 0.00 -1.26 -0.10 117.12 128.17 1d2b n MET 42 Ca 0.43 0.80 -0.03 0.00 -0.00 0.00 0.00 57.70 58.89 1d2b n MET 42 Cb 0.47 -2.57 -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 3.40 0.66 -3.62 1.12 -1.04 0.39 -4.85 114.28 110.34 1d2b n THR 43 Ca 0.17 0.36 -0.11 0.00 -2.04 0.00 0.00 64.05 62.43 1d2b n THR 43 Cb 0.29 -1.90 -0.05 0.00 -1.82 0.00 0.00 70.33 66.85 1d2b n THR 43 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1d2b s LYS 44 N -1.67 1.06 0.04 -2.82 -2.85 -0.76 -5.01 119.74 107.73 1d2b s LYS 44 Ca -0.09 -0.64 -0.19 0.00 -1.00 0.00 0.00 55.97 54.05 1d2b s LYS 44 Cb 0.01 0.47 -0.06 0.00 -2.06 0.00 0.00 37.83 36.19 1d2b s LYS 44 CO 0.13 -0.41 0.54 -1.64 0.10 0.00 0.00 175.35 174.07 1d2b s MET 45 N -3.62 4.19 0.00 1.78 -1.94 -1.26 -0.61 119.30 117.84 1d2b s MET 45 Ca 0.02 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.67 1d2b s MET 45 Cb 0.01 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.59 1d2b s MET 45 CO -0.11 0.57 0.75 0.66 -0.01 0.00 0.00 175.02 176.89 1d2b n TYR 46 N 2.04 0.00 0.00 -0.03 4.02 0.25 -4.89 117.16 118.55 1d2b n TYR 46 Ca -0.10 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.51 1d2b n TYR 46 Cb 0.51 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.80 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 -0.28 0.00 0.00 -0.72 4.81 0.47 -4.69 118.16 117.76 1d2b n LYS 47 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1d2b n LYS 47 Cb 0.18 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.23 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 -0.01 0.00 3.14 0.00 -1.26 -1.53 105.19 105.52 1d2b n GLY 48 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.17 117.46 121.61 1d2b n PHE 49 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 1d2b n PHE 49 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1d2b n PHE 49 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1d2b n GLN 50 N -0.85 0.51 0.08 -1.08 10.64 -1.26 -4.34 117.38 121.08 1d2b n GLN 50 Ca 0.10 0.50 -0.12 0.00 -1.83 0.00 0.00 57.00 55.65 1d2b n GLN 50 Cb 0.05 -1.68 -0.06 0.00 -0.86 0.00 0.00 30.24 27.69 1d2b n GLN 50 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1d2b h ALA 51 N -0.80 -0.15 -3.00 2.61 0.00 -1.72 -3.47 119.26 112.74 1d2b h ALA 51 Ca -0.20 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1d2b h ALA 51 Cb 0.96 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1d2b h ALA 51 CO -0.12 -0.60 0.00 1.47 0.00 0.00 0.00 179.25 180.00 1d2b n LEU 52 N -5.20 0.00 0.00 0.00 -0.00 0.13 -5.11 117.00 106.82 1d2b n LEU 52 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1d2b n LEU 52 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.55 1d2b n LEU 52 CO 0.31 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 1d2b n GLY 53 N 0.00 0.80 0.00 1.47 0.00 -1.17 -4.03 105.19 102.26 1d2b n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d2b n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d2b n ASP 54 N 0.00 0.00 0.00 1.61 5.75 -1.26 -4.91 116.55 117.74 1d2b n ASP 54 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1d2b n ASP 54 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.70 1.56 -3.88 2.12 0.00 -1.26 -5.00 120.51 113.35 1d2b n ALA 55 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1d2b n ALA 55 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 -1.34 3.56 -0.16 0.00 0.00 -1.26 -4.83 121.76 117.73 1d2b s ALA 56 Ca 0.00 -3.47 0.21 0.00 0.00 0.00 0.00 51.96 48.70 1d2b s ALA 56 Cb 0.00 -2.29 -0.13 0.00 0.00 0.00 0.00 23.12 20.70 1d2b s ALA 56 CO 0.00 -2.07 0.80 -3.47 0.00 0.00 0.00 175.76 171.03 1d2b n ASP 57 N 2.80 0.59 -4.22 0.00 2.03 -1.26 -4.86 116.55 111.62 1d2b n ASP 57 Ca 0.11 0.24 -0.29 0.00 0.52 0.00 0.00 54.79 55.36 1d2b n ASP 57 Cb 0.34 0.82 -0.16 0.00 -0.72 0.00 0.00 41.12 41.40 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1d2b s ILE 58 N -3.27 1.79 0.00 5.18 -1.09 -1.26 -4.90 121.20 117.64 1d2b s ILE 58 Ca -0.03 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 1d2b s ILE 58 Cb 0.10 -1.51 0.00 0.00 -1.58 0.00 0.00 42.46 39.48 1d2b s ILE 58 CO 0.83 0.50 0.00 0.54 -1.23 0.00 0.00 174.94 175.58 1d2b n ARG 59 N 2.87 0.00 -3.73 2.79 5.12 -1.26 -4.59 116.66 117.85 1d2b n ARG 59 Ca -0.17 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.62 1d2b n ARG 59 Cb 0.52 -0.30 -0.08 0.00 -1.16 0.00 0.00 32.46 31.45 1d2b n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1d2b s PHE 60 N -1.00 -0.22 -0.20 -1.55 0.40 -1.26 -1.56 117.98 112.59 1d2b s PHE 60 Ca 0.00 0.30 -0.04 0.00 -0.60 0.00 0.00 56.93 56.58 1d2b s PHE 60 Cb 0.00 0.13 -0.02 0.00 0.51 0.00 0.00 43.02 43.65 1d2b s PHE 60 CO 0.00 -0.44 -0.03 0.14 0.70 0.00 0.00 175.22 175.59 1d2b s VAL 61 N -1.57 3.65 -0.37 -0.44 -7.23 -0.09 -3.42 120.40 110.92 1d2b s VAL 61 Ca -0.12 -0.41 -0.07 0.00 -1.81 0.00 0.00 61.98 59.57 1d2b s VAL 61 Cb -0.04 -2.65 0.06 0.00 0.56 0.00 0.00 36.38 34.32 1d2b s VAL 61 CO 0.03 0.43 0.17 -0.31 -0.31 0.00 0.00 175.10 175.11 1d2b s TYR 62 N 1.16 3.32 0.21 2.82 1.51 0.32 -1.73 117.35 124.96 1d2b s TYR 62 Ca 0.02 -1.58 0.10 0.00 -1.01 0.00 0.00 57.07 54.60 1d2b s TYR 62 Cb -0.15 -2.61 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 1d2b s TYR 62 CO 0.00 -0.80 -0.09 -0.08 -1.11 0.00 0.00 175.55 173.47 1d2b s THR 63 N 1.38 3.13 0.44 -0.71 -1.32 -0.90 -3.09 115.64 114.57 1d2b s THR 63 Ca 0.01 -1.83 -0.25 0.00 -1.21 0.00 0.00 61.69 58.41 1d2b s THR 63 Cb -0.21 -2.59 -0.08 0.00 -1.51 0.00 0.00 72.50 68.10 1d2b s THR 63 CO 0.02 -0.21 1.39 -2.84 -2.21 0.00 0.00 174.62 170.77 1d2b s PRO 64 N -3.12 3.73 -0.86 7.08 0.02 -1.25 0.17 135.00 140.77 1d2b s PRO 64 Ca 0.27 2.35 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 1d2b s PRO 64 Cb -0.08 -2.66 0.27 0.00 0.02 0.00 0.00 34.50 32.04 1d2b s PRO 64 CO 0.16 -0.75 2.16 0.00 -0.33 0.00 0.00 177.00 178.24 1d2b n ALA 65 N -0.15 6.44 -2.09 -1.55 0.00 3.84 -4.31 120.51 122.69 1d2b n ALA 65 Ca 0.05 -4.02 -0.19 0.00 0.00 0.00 0.00 53.44 49.29 1d2b n ALA 65 Cb 0.42 -2.14 -0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 -3.41 2.70 0.00 0.00 -1.94 -1.25 -4.64 119.30 110.75 1d2b s MET 66 Ca 0.51 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 53.11 1d2b s MET 66 Cb 0.35 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.57 1d2b s MET 66 CO -0.28 -0.28 0.09 -0.85 -0.01 0.00 0.00 175.02 173.69 1d2b n GLU 67 N -1.76 0.00 -1.56 2.03 0.00 -1.26 -3.77 120.64 114.31 1d2b n GLU 67 Ca 0.07 0.02 -0.32 0.00 0.00 0.00 0.00 57.16 56.93 1d2b n GLU 67 Cb 0.60 -0.59 0.02 0.00 0.00 0.00 0.00 31.44 31.47 1d2b n GLU 67 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1d2b n SER 68 N -0.12 7.13 -4.46 -1.84 7.64 -1.26 -4.97 113.62 115.74 1d2b n SER 68 Ca 0.00 -3.55 -0.28 0.00 1.01 0.00 0.00 58.87 56.05 1d2b n SER 68 Cb 0.00 -1.10 0.14 0.00 -1.01 0.00 0.00 64.21 62.24 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1d2b s VAL 69 N -3.86 2.06 -0.81 0.44 0.11 -1.25 -3.96 120.40 113.15 1d2b s VAL 69 Ca 0.54 -0.15 -0.03 0.00 -2.93 0.00 0.00 61.98 59.41 1d2b s VAL 69 Cb 0.41 -2.92 0.19 0.00 -1.53 0.00 0.00 36.38 32.53 1d2b s VAL 69 CO -0.23 0.00 2.36 0.00 -3.33 0.00 0.00 175.10 173.90 1d2b n GLY 71 N 0.51 -0.90 2.81 0.00 0.00 -1.26 -1.85 105.19 104.49 1d2b n GLY 71 Ca 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.00 -0.82 1.61 5.04 -1.26 -3.37 117.35 117.55 1d2b s TYR 72 Ca 0.00 -0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.20 1d2b s TYR 72 Cb 0.00 0.19 -0.08 0.00 0.35 0.00 0.00 41.96 42.42 1d2b s TYR 72 CO 0.00 -0.75 2.12 -0.06 -1.34 0.00 0.00 175.55 175.52 1d2b s PHE 73 N 1.25 1.53 -0.52 4.97 0.40 -1.26 -4.88 117.98 119.47 1d2b s PHE 73 Ca 0.23 1.16 -0.16 0.00 -0.60 0.00 0.00 56.93 57.56 1d2b s PHE 73 Cb 0.04 -3.82 0.11 0.00 0.51 0.00 0.00 43.02 39.86 1d2b s PHE 73 CO -0.09 -1.76 0.48 -1.58 0.70 0.00 0.00 175.22 172.97 1d2b s HIS 74 N 11.74 3.23 -0.41 0.36 5.65 -1.26 -4.92 115.29 129.68 1d2b s HIS 74 Ca 0.79 -1.13 0.04 0.00 0.25 0.00 0.00 55.06 55.01 1d2b s HIS 74 Cb -0.10 -3.59 0.45 0.00 -1.18 0.00 0.00 32.58 28.16 1d2b s HIS 74 CO 0.05 -0.96 1.39 2.89 -0.65 0.00 0.00 174.74 177.46 1d2b n ARG 75 N 5.32 3.37 -3.98 2.88 0.00 -1.26 -4.94 116.66 118.04 1d2b n ARG 75 Ca -0.13 -4.00 -0.31 0.00 -0.00 0.00 0.00 57.85 53.41 1d2b n ARG 75 Cb 0.41 -2.28 -0.14 0.00 -0.00 0.00 0.00 32.46 30.45 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 -3.12 4.76 0.53 2.89 0.01 -1.26 -4.95 113.70 112.57 1d2b s SER 76 Ca 0.54 -2.29 0.25 0.00 1.31 0.00 0.00 55.95 55.76 1d2b s SER 76 Cb 0.43 -1.66 1.48 0.00 0.21 0.00 0.00 66.02 66.49 1d2b s SER 76 CO -0.02 -0.37 2.12 0.45 0.41 0.00 0.00 173.24 175.83 1d2b h HIS 77 N 7.48 0.00 -1.86 2.43 3.86 -1.96 -3.41 115.15 121.69 1d2b h HIS 77 Ca -0.05 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.65 1d2b h HIS 77 Cb 1.00 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 1d2b h HIS 77 CO 0.48 0.09 1.52 1.21 0.86 0.00 0.00 177.93 182.08 1d2b s ASN 78 N -6.35 4.93 0.12 2.45 3.04 -1.26 -4.80 114.94 113.06 1d2b s ASN 78 Ca -0.04 1.08 0.27 0.00 0.04 0.00 0.00 52.86 54.21 1d2b s ASN 78 Cb 0.14 -2.51 0.89 0.00 -1.54 0.00 0.00 41.25 38.23 1d2b s ASN 78 CO 0.60 -2.51 1.76 0.54 -3.04 0.00 0.00 177.10 174.45 1d2b n ARG 79 N 8.95 0.17 -0.06 0.43 3.00 -1.26 -3.06 116.66 124.84 1d2b n ARG 79 Ca 0.31 0.12 0.10 0.00 -0.01 0.00 0.00 57.85 58.37 1d2b n ARG 79 Cb 0.52 -1.68 0.11 0.00 0.00 0.00 0.00 32.46 31.41 1d2b n ARG 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1d2b n SER 80 N -1.96 2.80 -4.69 0.55 3.41 -1.26 -4.34 113.62 108.12 1d2b n SER 80 Ca 0.06 -1.84 -0.40 0.00 -0.26 0.00 0.00 58.87 56.42 1d2b n SER 80 Cb 0.40 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1d2b s GLU 81 N -1.50 4.36 1.04 4.33 2.56 -1.17 -5.04 118.70 123.28 1d2b s GLU 81 Ca 0.26 0.92 -0.13 0.00 0.00 0.00 0.00 54.97 56.02 1d2b s GLU 81 Cb 0.17 -3.52 0.21 0.00 2.00 0.00 0.00 34.13 33.00 1d2b s GLU 81 CO 0.25 -0.14 1.08 -1.21 -0.56 0.00 0.00 175.26 174.68 1d2b s GLU 82 N 1.49 0.05 0.34 4.30 2.02 -1.26 -4.26 118.70 121.37 1d2b s GLU 82 Ca 0.37 0.54 -0.14 0.00 0.02 0.00 0.00 54.97 55.75 1d2b s GLU 82 Cb -0.17 -1.69 0.03 0.00 0.10 0.00 0.00 34.13 32.40 1d2b s GLU 82 CO 0.15 -2.99 0.68 -0.06 0.02 0.00 0.00 175.26 173.06 1d2b s PHE 83 N -2.87 0.24 -0.11 1.61 0.40 0.62 -4.23 117.98 113.64 1d2b s PHE 83 Ca 0.66 -0.75 0.03 0.00 -0.60 0.00 0.00 56.93 56.26 1d2b s PHE 83 Cb -0.20 0.57 0.01 0.00 0.51 0.00 0.00 43.02 43.92 1d2b s PHE 83 CO 0.59 -1.35 -0.19 -1.17 0.70 0.00 0.00 175.22 173.79 1d2b s LEU 84 N -3.06 1.94 -0.25 -0.37 1.98 0.34 -0.96 118.68 118.30 1d2b s LEU 84 Ca 0.18 -0.51 -0.00 0.00 -2.89 0.00 0.00 54.13 50.91 1d2b s LEU 84 Cb -0.04 -1.26 0.07 0.00 0.66 0.00 0.00 46.19 45.62 1d2b s LEU 84 CO 0.12 0.07 0.01 -0.63 -1.89 0.00 0.00 176.35 174.03 1d2b s ILE 85 N 0.74 1.21 -0.28 6.68 -1.09 0.01 -1.75 121.20 126.72 1d2b s ILE 85 Ca -0.10 -1.18 -0.15 0.00 -2.23 0.00 0.00 60.65 56.98 1d2b s ILE 85 Cb -0.16 -1.65 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1d2b s ILE 85 CO 0.01 -0.28 0.39 0.00 -1.23 0.00 0.00 174.94 173.83 1d2b s ALA 86 N 1.52 3.55 -0.20 9.38 0.00 -0.61 -1.64 121.76 133.76 1d2b s ALA 86 Ca -0.00 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 1d2b s ALA 86 Cb -0.18 -2.75 0.15 0.00 0.00 0.00 0.00 23.12 20.34 1d2b s ALA 86 CO -0.11 -0.75 1.15 0.20 0.00 0.00 0.00 175.76 176.26 1d2b s GLY 87 N 1.66 -0.15 0.02 0.00 0.00 0.65 -4.51 107.32 104.98 1d2b s GLY 87 Ca 0.15 2.20 -0.17 0.00 0.00 0.00 0.00 44.72 46.90 1d2b s GLY 87 CO 0.10 0.95 0.47 1.25 0.00 0.00 0.00 173.10 175.87 1d2b s LYS 88 N -1.38 4.04 -0.08 2.90 2.47 -1.23 0.17 119.74 126.64 1d2b s LYS 88 Ca 0.04 0.53 -0.25 0.00 -1.56 0.00 0.00 55.97 54.73 1d2b s LYS 88 Cb -0.01 -3.24 -0.03 0.00 -1.46 0.00 0.00 37.83 33.09 1d2b s LYS 88 CO -0.03 0.64 0.77 -0.51 0.16 0.00 0.00 175.35 176.38 1d2b s LEU 89 N -0.97 4.30 -0.31 5.43 1.43 -1.26 -2.22 118.68 125.08 1d2b s LEU 89 Ca 0.26 1.26 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1d2b s LEU 89 Cb -0.18 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.84 1d2b s LEU 89 CO 0.15 -0.20 0.18 -1.58 0.23 0.00 0.00 176.35 175.14 1d2b s GLN 90 N 1.11 3.48 0.00 1.70 2.00 0.43 -4.56 119.66 123.83 1d2b s GLN 90 Ca 0.40 -0.63 0.00 0.00 -2.00 0.00 0.00 55.36 53.13 1d2b s GLN 90 Cb -0.18 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 29.99 1d2b s GLN 90 CO 0.19 -0.38 0.00 -0.25 -0.50 0.00 0.00 175.29 174.34 1d2b n ASP 91 N 5.03 -0.81 0.00 6.67 8.00 -1.26 0.33 116.55 134.51 1d2b n ASP 91 Ca -0.14 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1d2b n ASP 91 Cb 0.50 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 -0.41 3.25 3.76 0.44 0.00 -1.26 -5.09 105.19 105.88 1d2b n GLY 92 Ca 0.00 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.84 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 4.55 0.64 0.99 2.01 0.15 -4.93 118.68 122.09 1d2b s LEU 93 Ca 0.00 2.25 -0.15 0.00 0.01 0.00 0.00 54.13 56.24 1d2b s LEU 93 Cb 0.00 -3.62 -0.01 0.00 0.01 0.00 0.00 46.19 42.56 1d2b s LEU 93 CO 0.00 -0.14 1.09 -0.22 1.01 0.00 0.00 176.35 178.09 1d2b s LEU 94 N -1.35 3.41 -0.02 1.79 2.96 -1.22 0.16 118.68 124.41 1d2b s LEU 94 Ca 0.45 1.92 0.02 0.00 -0.22 0.00 0.00 54.13 56.30 1d2b s LEU 94 Cb -0.32 -4.54 0.01 0.00 0.50 0.00 0.00 46.19 41.84 1d2b s LEU 94 CO 0.40 -1.48 -0.06 -1.00 -1.32 0.00 0.00 176.35 172.89 1d2b s HIS 95 N -2.41 0.71 0.04 5.38 3.76 -0.94 0.12 115.29 121.94 1d2b s HIS 95 Ca 0.65 -0.16 -0.02 0.00 -0.15 0.00 0.00 55.06 55.38 1d2b s HIS 95 Cb -0.19 -0.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 1d2b s HIS 95 CO 0.41 -0.08 0.00 0.96 -0.85 0.00 0.00 174.74 175.17 1d2b s ILE 96 N 0.26 0.17 -0.01 0.60 -5.25 -1.18 -3.50 121.20 112.29 1d2b s ILE 96 Ca -0.03 -1.41 -0.14 0.00 -0.99 0.00 0.00 60.65 58.07 1d2b s ILE 96 Cb -0.08 -1.06 0.02 0.00 2.95 0.00 0.00 42.46 44.30 1d2b s ILE 96 CO 0.00 -0.78 0.30 0.42 -1.79 0.00 0.00 174.94 173.09 1d2b s THR 97 N -3.01 0.06 -1.64 8.37 -4.23 -1.22 -4.34 115.64 109.63 1d2b s THR 97 Ca -0.01 -0.49 0.09 0.00 -1.18 0.00 0.00 61.69 60.10 1d2b s THR 97 Cb 0.01 -0.60 0.19 0.00 1.34 0.00 0.00 72.50 73.44 1d2b s THR 97 CO -0.07 -0.27 1.08 0.35 -0.54 0.00 0.00 174.62 175.18 1d2b n THR 98 N 1.29 0.52 -1.11 3.99 -2.24 -0.77 -0.44 114.28 115.52 1d2b n THR 98 Ca -0.22 0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.74 1d2b n THR 98 Cb 0.56 -0.99 0.24 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.13 3.07 -0.47 0.00 0.15 0.41 -4.76 113.70 109.97 1d2b s SER 100 Ca 0.43 -0.97 -0.28 0.00 0.70 0.00 0.00 55.95 55.83 1d2b s SER 100 Cb 0.36 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1d2b s SER 100 CO 0.06 -0.03 1.64 0.12 1.20 0.00 0.00 173.24 176.23 1d2b s PHE 101 N -2.44 2.01 -0.26 3.44 2.19 -1.26 -4.59 117.98 117.07 1d2b s PHE 101 Ca 0.24 0.63 -0.01 0.00 0.33 0.00 0.00 56.93 58.11 1d2b s PHE 101 Cb -0.04 -4.22 0.13 0.00 -1.31 0.00 0.00 43.02 37.58 1d2b s PHE 101 CO 0.10 -2.36 0.33 0.08 1.83 0.00 0.00 175.22 175.21 1d2b s VAL 102 N 6.90 -0.50 0.28 3.12 1.01 -1.26 -1.57 120.40 128.39 1d2b s VAL 102 Ca 0.66 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.18 1d2b s VAL 102 Cb -0.15 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1d2b s VAL 102 CO 0.28 -0.28 0.76 0.00 0.00 0.00 0.00 175.10 175.87 1d2b s ALA 103 N 2.45 -1.21 0.06 5.51 0.00 -0.72 -4.98 121.76 122.87 1d2b s ALA 103 Ca 0.10 -0.32 -0.34 0.00 0.00 0.00 0.00 51.96 51.40 1d2b s ALA 103 Cb -0.14 0.80 -0.13 0.00 0.00 0.00 0.00 23.12 23.65 1d2b s ALA 103 CO -0.23 -1.03 1.67 -2.30 0.00 0.00 0.00 175.76 173.86 1d2b n PRO 104 N -0.47 2.08 -0.14 0.00 -0.02 -1.26 0.13 135.00 135.31 1d2b n PRO 104 Ca -0.05 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 62.16 1d2b n PRO 104 Cb 0.59 -2.54 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 6.98 0.12 0.00 6.00 2.91 -1.74 0.15 115.95 130.38 1d2b h TRP 105 Ca -0.46 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.59 1d2b h TRP 105 Cb 1.27 0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.93 1d2b h TRP 105 CO 0.71 -0.02 0.00 0.09 -1.03 0.00 0.00 178.44 178.20 1d2b n ASN 106 N -5.12 0.00 0.00 2.65 4.13 -1.26 0.94 115.26 116.60 1d2b n ASN 106 Ca 0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.30 1d2b n ASN 106 Cb 0.22 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 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 0.09 0.26 -4.78 6.41 7.64 0.04 -5.06 113.62 118.22 1d2b n SER 107 Ca 0.00 -0.59 -0.31 0.00 1.01 0.00 0.00 58.87 58.98 1d2b n SER 107 Cb 0.00 0.46 0.07 0.00 -1.01 0.00 0.00 64.21 63.73 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 -0.91 3.11 0.63 -3.43 2.01 0.27 -5.02 118.68 115.34 1d2b s LEU 108 Ca 0.00 1.80 -0.15 0.00 0.01 0.00 0.00 54.13 55.79 1d2b s LEU 108 Cb 0.00 -4.52 -0.02 0.00 0.01 0.00 0.00 46.19 41.66 1d2b s LEU 108 CO 0.00 -1.83 1.09 -0.44 1.01 0.00 0.00 176.35 176.18 1d2b s SER 109 N -3.36 5.38 0.40 2.29 0.01 -1.26 -4.77 113.70 112.40 1d2b s SER 109 Ca 0.61 1.94 0.11 0.00 1.31 0.00 0.00 55.95 59.93 1d2b s SER 109 Cb -0.17 -2.55 0.84 0.00 0.21 0.00 0.00 66.02 64.35 1d2b s SER 109 CO 0.53 -1.44 1.92 0.17 0.41 0.00 0.00 173.24 174.83 1d2b h LEU 110 N 0.24 0.12 0.10 2.44 -0.00 -1.97 2.36 115.31 118.60 1d2b h LEU 110 Ca -0.47 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.88 57.08 1d2b h LEU 110 Cb 1.24 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 41.85 1d2b h LEU 110 CO 0.55 0.32 -1.56 0.00 -0.00 0.00 0.00 178.44 177.76 1d2b h ALA 111 N 1.69 0.35 -0.02 0.17 0.00 -1.99 -3.07 119.26 116.39 1d2b h ALA 111 Ca 0.02 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.77 1d2b h ALA 111 Cb 0.41 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1d2b h ALA 111 CO 0.03 1.21 0.00 0.94 0.00 0.00 0.00 179.25 181.43 1d2b n GLN 112 N -3.40 1.42 0.09 0.00 7.27 -0.77 0.17 117.38 122.16 1d2b n GLN 112 Ca -0.17 -0.61 -0.24 0.00 0.07 0.00 0.00 57.00 56.06 1d2b n GLN 112 Cb 1.04 -1.47 -0.15 0.00 2.41 0.00 0.00 30.24 32.06 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 1.46 0.44 0.00 3.69 9.65 0.40 -3.11 114.38 126.90 1d2b h ARG 113 Ca 0.00 -0.75 -0.00 0.00 -1.10 0.00 0.00 59.98 58.13 1d2b h ARG 113 Cb 0.31 0.28 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 1d2b h ARG 113 CO 0.00 1.36 -0.00 0.07 2.80 0.00 0.00 179.97 184.20 1d2b h ARG 114 N 0.10 -0.00 -1.26 0.20 -0.00 -1.28 -3.14 114.38 109.01 1d2b h ARG 114 Ca -0.32 0.00 0.39 0.00 -0.00 0.00 0.00 59.98 60.06 1d2b h ARG 114 Cb 2.11 0.00 -0.12 0.00 -0.00 0.00 0.00 29.97 31.96 1d2b h ARG 114 CO 0.21 0.96 0.81 0.78 -0.00 0.00 0.00 179.97 182.73 1d2b h GLY 115 N -0.97 1.25 0.13 0.08 0.00 0.16 0.92 103.07 104.65 1d2b h GLY 115 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 1d2b h GLY 115 CO 0.00 -0.33 -0.04 0.74 0.00 0.00 0.00 176.54 176.91 1d2b h PHE 116 N 0.15 -0.09 -0.08 5.60 0.04 -1.63 2.22 116.94 123.15 1d2b h PHE 116 Ca 0.76 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.55 1d2b h PHE 116 Cb 2.33 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 40.51 1d2b h PHE 116 CO -0.00 0.30 0.45 0.00 -0.60 0.00 0.00 178.31 178.46 1d2b h THR 117 N -0.98 0.05 0.00 -1.55 1.03 -0.56 -3.35 112.91 107.55 1d2b h THR 117 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.39 1d2b h THR 117 Cb 0.43 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.08 1d2b h THR 117 CO 0.02 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 176.70 1d2b n LYS 118 N -2.95 0.00 0.01 0.00 4.81 0.29 -5.01 118.16 115.30 1d2b n LYS 118 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.55 1d2b n LYS 118 Cb 0.52 -0.37 -0.09 0.00 0.02 0.00 0.00 35.03 35.10 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 -1.74 0.07 -0.35 3.15 -1.04 0.20 -4.61 114.28 109.96 1d2b n THR 119 Ca 0.00 -0.26 0.06 0.00 -2.04 0.00 0.00 64.05 61.81 1d2b n THR 119 Cb 0.00 0.37 0.31 0.00 -1.82 0.00 0.00 70.33 69.19 1d2b n THR 119 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1d2b n TYR 120 N -1.94 1.45 0.30 -1.42 4.01 0.69 -1.69 117.16 118.56 1d2b n TYR 120 Ca 0.00 -0.53 0.11 0.00 -0.16 0.00 0.00 57.90 57.33 1d2b n TYR 120 Cb 0.45 -0.33 -0.08 0.00 -0.31 0.00 0.00 39.34 39.07 1d2b n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1d2b n THR 121 N 0.66 0.16 0.00 -0.72 -2.24 -1.26 -2.82 114.28 108.05 1d2b n THR 121 Ca 0.21 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1d2b n THR 121 Cb 0.88 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.16 0.00 -1.54 2.28 0.31 -1.26 -4.74 118.33 111.23 1d2b n VAL 122 Ca -0.01 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.37 1d2b n VAL 122 Cb 0.50 -0.38 0.20 0.00 -0.91 0.00 0.00 33.84 33.25 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 2.49 5.09 2.89 2.92 0.00 -0.68 -4.94 105.19 112.96 1d2b n GLY 123 Ca 0.00 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.69 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N 4.41 2.58 0.00 0.00 0.28 -1.26 -4.13 120.64 122.52 1d2b n GLU 125 Ca 0.05 -4.21 0.09 0.00 -0.16 0.00 0.00 57.16 52.92 1d2b n GLU 125 Cb 0.06 -1.98 0.07 0.00 1.43 0.00 0.00 31.44 31.03 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36