#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 -2.19 0.00 -2.24 -1.26 -4.67 114.28 103.88 1d2b n THR 2 Ca 0.00 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.91 1d2b n THR 2 Cb 0.00 -2.17 0.12 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 -3.46 4.21 -0.57 0.00 -7.23 -1.26 -4.67 120.40 107.42 1d2b s VAL 4 Ca 0.66 -1.21 -0.42 0.00 -1.81 0.00 0.00 61.98 59.21 1d2b s VAL 4 Cb -0.07 -3.42 -0.19 0.00 0.56 0.00 0.00 36.38 33.26 1d2b s VAL 4 CO 0.48 -0.24 2.23 -2.65 -0.31 0.00 0.00 175.10 174.60 1d2b n PRO 5 N -1.41 0.02 -2.83 4.82 -0.02 -1.26 -4.84 135.00 129.49 1d2b n PRO 5 Ca -0.04 0.01 -0.40 0.00 -2.02 0.00 0.00 63.50 61.04 1d2b n PRO 5 Cb 0.58 -1.52 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 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 6.47 4.64 -0.03 0.52 0.04 -1.26 -4.92 135.00 140.45 1d2b s PRO 6 Ca 1.22 1.31 -0.18 0.00 0.04 0.00 0.00 61.00 63.39 1d2b s PRO 6 Cb -1.45 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 29.65 1d2b s PRO 6 CO 0.63 0.29 0.50 0.72 0.04 0.00 0.00 177.00 179.18 1d2b n HIS 7 N 2.58 0.35 0.75 0.56 8.25 -1.26 -4.28 115.22 122.17 1d2b n HIS 7 Ca -0.00 0.46 0.09 0.00 -0.26 0.00 0.00 57.72 58.00 1d2b n HIS 7 Cb 0.49 -0.91 0.42 0.00 1.12 0.00 0.00 29.99 31.11 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 0.81 0.16 -0.09 -0.41 -0.04 -1.26 0.63 135.00 134.80 1d2b n PRO 8 Ca 0.09 0.15 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1d2b n PRO 8 Cb 0.02 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 31.94 1d2b n PRO 8 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1d2b h GLN 9 N 0.00 0.81 0.03 0.54 4.15 -1.84 0.21 115.11 119.01 1d2b h GLN 9 Ca 0.00 -0.47 -0.28 0.00 0.77 0.00 0.00 58.65 58.66 1d2b h GLN 9 Cb 0.22 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1d2b h GLN 9 CO 0.00 1.11 -1.54 2.41 -1.93 0.00 0.00 178.83 178.88 1d2b n THR 10 N -4.12 1.60 -0.28 2.39 -1.04 -0.68 -3.43 114.28 108.72 1d2b n THR 10 Ca -0.04 -0.21 0.07 0.00 -2.04 0.00 0.00 64.05 61.83 1d2b n THR 10 Cb 0.56 -1.95 0.31 0.00 -1.82 0.00 0.00 70.33 67.42 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 -0.37 1.65 0.11 2.41 0.00 0.12 0.58 119.26 123.77 1d2b h ALA 11 Ca -0.39 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1d2b h ALA 11 Cb 1.52 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1d2b h ALA 11 CO -0.15 0.16 -0.05 0.35 0.00 0.00 0.00 179.25 179.56 1d2b h PHE 12 N 0.86 -0.14 0.00 0.00 3.04 -0.75 -2.83 116.94 117.12 1d2b h PHE 12 Ca 0.41 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.36 1d2b h PHE 12 Cb 0.42 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.98 1d2b h PHE 12 CO -0.00 -0.09 0.00 0.00 -2.02 0.00 0.00 178.31 176.20 1d2b n ASN 14 N -2.54 2.09 -4.77 0.00 3.02 0.20 -4.88 115.26 108.38 1d2b n ASN 14 Ca 0.01 0.21 -0.39 0.00 -0.03 0.00 0.00 54.58 54.37 1d2b n ASN 14 Cb 0.21 -0.84 -0.02 0.00 -0.61 0.00 0.00 39.78 38.52 1d2b n ASN 14 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1d2b s SER 15 N -6.99 6.65 -0.12 6.41 0.15 -1.07 -4.88 113.70 113.85 1d2b s SER 15 Ca -0.24 2.50 0.18 0.00 0.70 0.00 0.00 55.95 59.09 1d2b s SER 15 Cb 0.07 -2.63 0.73 0.00 -1.71 0.00 0.00 66.02 62.48 1d2b s SER 15 CO 0.73 -0.60 1.64 0.47 1.20 0.00 0.00 173.24 176.68 1d2b n ASP 16 N 0.44 4.82 -3.45 5.45 9.92 -1.22 -4.80 116.55 127.71 1d2b n ASP 16 Ca 0.02 -2.47 0.00 0.00 -0.53 0.00 0.00 54.79 51.81 1d2b n ASP 16 Cb 0.44 -0.58 -0.03 0.00 -0.64 0.00 0.00 41.12 40.30 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 -1.89 -1.19 -0.05 0.64 1.43 0.65 -4.40 118.68 113.88 1d2b s LEU 17 Ca 0.52 1.22 -0.01 0.00 -1.03 0.00 0.00 54.13 54.82 1d2b s LEU 17 Cb 0.33 2.14 0.03 0.00 0.03 0.00 0.00 46.19 48.73 1d2b s LEU 17 CO 0.24 -0.24 0.02 -0.69 0.23 0.00 0.00 176.35 175.92 1d2b s VAL 18 N 2.85 0.16 0.00 -1.59 1.01 0.53 0.21 120.40 123.57 1d2b s VAL 18 Ca 0.05 0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.27 1d2b s VAL 18 Cb -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1d2b s VAL 18 CO -0.19 0.21 0.00 2.30 0.00 0.00 0.00 175.10 177.42 1d2b n ILE 19 N 5.04 0.00 -4.06 2.22 -5.35 -0.56 0.18 119.36 116.83 1d2b n ILE 19 Ca -0.09 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.19 1d2b n ILE 19 Cb 0.50 0.00 -0.17 0.00 -1.74 0.00 0.00 39.64 38.23 1d2b n ILE 19 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1d2b s ARG 20 N -1.43 0.77 0.24 6.28 1.70 -0.02 -1.29 118.95 125.20 1d2b s ARG 20 Ca 0.00 -0.06 -0.12 0.00 -0.47 0.00 0.00 55.73 55.08 1d2b s ARG 20 Cb 0.00 -0.87 -0.01 0.00 -0.57 0.00 0.00 34.95 33.51 1d2b s ARG 20 CO 0.00 -0.13 0.44 0.00 -1.08 0.00 0.00 175.30 174.53 1d2b s ALA 21 N 1.16 -0.16 0.04 7.88 0.00 -0.11 -1.05 121.76 129.51 1d2b s ALA 21 Ca -0.07 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.03 1d2b s ALA 21 Cb -0.14 1.07 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 1d2b s ALA 21 CO -0.01 -0.82 -0.07 0.15 0.00 0.00 0.00 175.76 175.00 1d2b s LYS 22 N -4.02 2.43 -0.26 0.00 1.02 0.05 0.23 119.74 119.18 1d2b s LYS 22 Ca 0.23 -0.82 -0.17 0.00 0.02 0.00 0.00 55.97 55.23 1d2b s LYS 22 Cb 0.00 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.84 1d2b s LYS 22 CO 0.08 0.57 0.45 -0.06 -0.92 0.00 0.00 175.35 175.47 1d2b s PHE 23 N -1.08 3.26 -0.28 3.18 0.40 -1.26 0.53 117.98 122.74 1d2b s PHE 23 Ca 0.19 0.54 0.19 0.00 -0.60 0.00 0.00 56.93 57.25 1d2b s PHE 23 Cb -0.11 -2.65 0.49 0.00 0.51 0.00 0.00 43.02 41.26 1d2b s PHE 23 CO 0.10 -0.25 1.10 1.33 0.70 0.00 0.00 175.22 178.20 1d2b n VAL 24 N 5.11 1.50 -3.66 -0.44 0.24 0.03 -3.99 118.33 117.12 1d2b n VAL 24 Ca -0.06 -3.24 -0.02 0.00 -2.04 0.00 0.00 64.34 58.98 1d2b n VAL 24 Cb 0.50 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.33 0.38 7.63 0.00 -0.47 -4.67 107.32 106.19 1d2b s GLY 25 Ca 0.32 0.57 0.06 0.00 0.00 0.00 0.00 44.72 45.67 1d2b s GLY 25 CO -0.02 0.13 0.54 -0.51 0.00 0.00 0.00 173.10 173.24 1d2b s THR 26 N -2.88 3.64 -0.35 0.90 -4.23 -1.26 -4.08 115.64 107.37 1d2b s THR 26 Ca 0.12 -0.93 -0.29 0.00 -1.18 0.00 0.00 61.69 59.40 1d2b s THR 26 Cb 0.01 -3.26 0.01 0.00 1.34 0.00 0.00 72.50 70.60 1d2b s THR 26 CO -0.02 -0.11 1.18 -2.16 -0.54 0.00 0.00 174.62 172.97 1d2b s PRO 27 N -4.30 3.91 -0.33 3.99 0.04 -1.26 -4.14 135.00 132.91 1d2b s PRO 27 Ca 0.49 1.01 -0.10 0.00 0.04 0.00 0.00 61.00 62.44 1d2b s PRO 27 Cb -0.10 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.61 1d2b s PRO 27 CO 0.33 -1.12 0.17 -1.21 0.04 0.00 0.00 177.00 175.21 1d2b s GLU 28 N 4.08 3.14 -0.51 4.56 8.01 -0.09 -4.92 118.70 132.97 1d2b s GLU 28 Ca 0.50 -0.86 -0.14 0.00 0.01 0.00 0.00 54.97 54.49 1d2b s GLU 28 Cb -0.13 -3.63 0.12 0.00 -4.31 0.00 0.00 34.13 26.19 1d2b s GLU 28 CO 0.23 -0.52 0.44 0.08 0.01 0.00 0.00 175.26 175.49 1d2b s VAL 29 N 1.59 4.93 0.61 2.63 1.01 -1.26 -2.24 120.40 127.67 1d2b s VAL 29 Ca 0.04 -1.52 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 1d2b s VAL 29 Cb -0.18 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 1d2b s VAL 29 CO 0.06 -0.81 1.32 0.21 0.00 0.00 0.00 175.10 175.88 1d2b s ASN 30 N 3.22 4.87 0.19 3.32 2.47 -1.25 -4.86 114.94 122.90 1d2b s ASN 30 Ca 0.04 2.67 0.26 0.00 0.42 0.00 0.00 52.86 56.25 1d2b s ASN 30 Cb -0.28 -2.62 0.88 0.00 -1.45 0.00 0.00 41.25 37.78 1d2b s ASN 30 CO 0.02 -1.83 1.78 0.00 -3.72 0.00 0.00 177.10 173.36 1d2b n GLN 31 N -1.56 0.22 -2.71 0.43 1.13 -1.26 -3.93 117.38 109.69 1d2b n GLN 31 Ca 0.14 0.21 -0.07 0.00 -1.94 0.00 0.00 57.00 55.35 1d2b n GLN 31 Cb 0.47 -1.77 0.04 0.00 0.11 0.00 0.00 30.24 29.09 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 -2.15 1.16 -0.05 5.09 -1.04 -1.26 -4.82 114.28 111.21 1d2b n THR 32 Ca 0.05 -3.08 -0.10 0.00 -2.04 0.00 0.00 64.05 58.88 1d2b n THR 32 Cb 0.39 0.80 -0.03 0.00 -1.82 0.00 0.00 70.33 69.67 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 -0.27 0.52 -0.26 12.58 5.66 -1.25 -4.98 114.28 126.27 1d2b n THR 33 Ca 0.10 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1d2b n THR 33 Cb 0.81 -1.63 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 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 -3.42 0.00 -4.11 1.09 4.77 -1.26 -4.92 117.00 109.14 1d2b n LEU 34 Ca -0.19 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.71 1d2b n LEU 34 Cb 0.63 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.62 1d2b n LEU 34 CO 0.01 0.00 -0.32 -0.72 -1.33 0.00 0.00 177.39 175.03 1d2b s TYR 35 N -2.66 0.69 0.27 -1.77 1.13 -1.26 0.76 117.35 114.51 1d2b s TYR 35 Ca 0.00 -1.14 0.01 0.00 -1.41 0.00 0.00 57.07 54.53 1d2b s TYR 35 Cb 0.00 -0.42 -0.00 0.00 -1.10 0.00 0.00 41.96 40.43 1d2b s TYR 35 CO 0.00 -0.46 0.04 1.04 -2.51 0.00 0.00 175.55 173.66 1d2b n GLN 36 N -0.00 0.99 -3.80 -3.49 6.02 0.83 -3.97 117.38 113.97 1d2b n GLN 36 Ca -0.09 -2.10 -0.12 0.00 -0.01 0.00 0.00 57.00 54.68 1d2b n GLN 36 Cb 0.62 0.85 -0.08 0.00 1.02 0.00 0.00 30.24 32.65 1d2b n GLN 36 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1d2b s ARG 37 N -2.99 0.69 0.08 -1.09 0.52 -0.95 -2.20 118.95 113.01 1d2b s ARG 37 Ca 0.06 -0.42 0.06 0.00 -0.52 0.00 0.00 55.73 54.91 1d2b s ARG 37 Cb 0.00 0.30 -0.03 0.00 0.52 0.00 0.00 34.95 35.74 1d2b s ARG 37 CO 0.04 -0.20 -0.15 0.71 0.02 0.00 0.00 175.30 175.73 1d2b s TYR 38 N -2.00 1.30 -0.15 -0.53 2.02 -0.69 -0.91 117.35 116.39 1d2b s TYR 38 Ca -0.09 -0.46 -0.07 0.00 -0.37 0.00 0.00 57.07 56.08 1d2b s TYR 38 Cb -0.03 -0.73 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 1d2b s TYR 38 CO -0.00 0.08 0.08 -2.00 -1.57 0.00 0.00 175.55 172.14 1d2b s GLU 39 N -1.85 3.67 0.43 -0.62 2.56 -1.26 -1.91 118.70 119.72 1d2b s GLU 39 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.97 54.73 1d2b s GLU 39 Cb -0.10 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 32.84 1d2b s GLU 39 CO 0.03 0.50 0.07 0.96 -0.56 0.00 0.00 175.26 176.26 1d2b s ILE 40 N -0.27 0.98 -0.78 -3.70 -4.36 -1.04 -0.79 121.20 111.24 1d2b s ILE 40 Ca 0.09 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.49 1d2b s ILE 40 Cb -0.12 -2.42 0.19 0.00 1.25 0.00 0.00 42.46 41.37 1d2b s ILE 40 CO 0.01 0.00 0.62 -0.75 0.24 0.00 0.00 174.94 175.06 1d2b s LYS 41 N -3.79 2.84 -0.29 0.37 2.20 2.06 -4.54 119.74 118.59 1d2b s LYS 41 Ca 0.21 -3.25 -0.29 0.00 -0.36 0.00 0.00 55.97 52.28 1d2b s LYS 41 Cb 0.04 -3.69 -0.07 0.00 -1.51 0.00 0.00 37.83 32.60 1d2b s LYS 41 CO 0.11 -1.26 2.25 -0.12 -0.36 0.00 0.00 175.35 175.97 1d2b n MET 42 N 2.27 1.62 0.10 4.03 0.00 -1.26 -0.77 117.12 123.11 1d2b n MET 42 Ca 0.19 0.40 -0.06 0.00 -0.00 0.00 0.00 57.70 58.24 1d2b n MET 42 Cb 0.36 -3.07 -0.03 0.00 0.00 0.00 0.00 33.22 30.48 1d2b n MET 42 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1d2b h THR 43 N 7.23 0.04 -2.62 1.12 1.35 -1.43 -3.48 112.91 115.12 1d2b h THR 43 Ca -0.35 -0.76 -0.09 0.00 -0.55 0.00 0.00 66.41 64.66 1d2b h THR 43 Cb 1.26 0.06 -0.19 0.00 -1.73 0.00 0.00 68.15 67.55 1d2b h THR 43 CO 1.00 0.01 -0.07 -0.54 -0.25 0.00 0.00 175.52 175.68 1d2b s LYS 44 N -2.74 0.85 0.05 4.72 1.02 -0.92 -5.03 119.74 117.69 1d2b s LYS 44 Ca -0.06 -0.03 -0.18 0.00 0.02 0.00 0.00 55.97 55.73 1d2b s LYS 44 Cb 0.01 0.39 -0.06 0.00 -0.52 0.00 0.00 37.83 37.64 1d2b s LYS 44 CO 0.17 -0.26 0.51 0.00 -0.92 0.00 0.00 175.35 174.86 1d2b s MET 45 N -1.40 4.11 -0.02 1.68 0.23 -1.26 -0.84 119.30 121.80 1d2b s MET 45 Ca -0.12 0.63 0.03 0.00 -1.03 0.00 0.00 55.69 55.20 1d2b s MET 45 Cb -0.03 -3.23 0.04 0.00 -1.53 0.00 0.00 34.83 30.08 1d2b s MET 45 CO 0.06 0.65 1.00 0.66 -2.03 0.00 0.00 175.02 175.36 1d2b n TYR 46 N 1.77 0.00 0.00 3.16 4.02 0.39 -4.90 117.16 121.61 1d2b n TYR 46 Ca -0.12 -0.54 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 1d2b n TYR 46 Cb 0.51 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 39.77 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 -0.61 0.00 0.00 -0.72 0.00 0.49 -4.75 118.16 112.57 1d2b n LYS 47 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 1d2b n LYS 47 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.35 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1d2b n GLY 48 N 0.00 -0.50 0.33 3.14 0.00 -1.26 -0.35 105.19 106.55 1d2b n GLY 48 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 0.76 -0.43 1.61 -1.00 -1.95 2.08 116.94 118.01 1d2b h PHE 49 Ca 0.00 0.04 0.08 0.00 2.81 0.00 0.00 57.97 60.90 1d2b h PHE 49 Cb 0.00 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.36 1d2b h PHE 49 CO 0.00 -0.21 0.30 -0.56 -1.61 0.00 0.00 178.31 176.23 1d2b h GLN 50 N 0.27 0.23 0.00 1.51 -0.00 -1.97 -0.62 115.11 114.53 1d2b h GLN 50 Ca 0.69 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 59.32 1d2b h GLN 50 Cb 1.56 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.48 28.99 1d2b h GLN 50 CO -0.64 0.16 -0.04 0.00 -0.00 0.00 0.00 178.83 178.31 1d2b h ALA 51 N 1.78 0.01 -3.00 0.06 0.00 0.28 -3.43 119.26 114.95 1d2b h ALA 51 Ca 0.20 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1d2b h ALA 51 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1d2b h ALA 51 CO -0.04 0.03 0.00 1.47 0.00 0.00 0.00 179.25 180.71 1d2b n LEU 52 N -4.65 0.00 0.00 0.00 -0.00 0.10 -4.93 117.00 107.52 1d2b n LEU 52 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1d2b n LEU 52 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.79 1d2b n LEU 52 CO 0.25 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.25 1d2b n GLY 53 N 2.19 3.16 0.00 1.47 0.00 -0.33 -4.93 105.19 106.76 1d2b n GLY 53 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1d2b n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d2b n ASP 54 N 0.57 0.00 0.00 1.61 8.00 -1.26 -5.03 116.55 120.44 1d2b n ASP 54 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1d2b n ASP 54 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1d2b n ALA 55 N -3.00 0.86 -3.05 2.24 0.00 -1.26 -5.01 120.51 111.29 1d2b n ALA 55 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1d2b n ALA 55 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.31 4.56 -0.74 0.00 0.00 -1.26 -4.69 120.51 117.07 1d2b n ALA 56 Ca 0.00 -4.73 -0.03 0.00 0.00 0.00 0.00 53.44 48.68 1d2b n ALA 56 Cb 0.00 -0.79 0.28 0.00 0.00 0.00 0.00 19.45 18.94 1d2b n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1d2b n ASP 57 N 0.02 4.61 -3.15 0.00 8.00 -1.26 -4.64 116.55 120.12 1d2b n ASP 57 Ca 0.31 -3.01 -0.15 0.00 0.71 0.00 0.00 54.79 52.65 1d2b n ASP 57 Cb 0.39 -0.71 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1d2b s ILE 58 N -2.64 -0.34 -0.64 0.53 1.01 -1.26 -4.85 121.20 113.01 1d2b s ILE 58 Ca 0.48 -1.59 0.06 0.00 0.00 0.00 0.00 60.65 59.60 1d2b s ILE 58 Cb 0.38 -0.62 0.08 0.00 0.01 0.00 0.00 42.46 42.30 1d2b s ILE 58 CO 0.12 -0.60 0.81 0.54 0.00 0.00 0.00 174.94 175.81 1d2b n ARG 59 N 3.25 0.68 -3.80 2.79 1.74 -1.26 -4.70 116.66 115.37 1d2b n ARG 59 Ca 0.21 -1.11 -0.13 0.00 -0.77 0.00 0.00 57.85 56.06 1d2b n ARG 59 Cb 0.51 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 30.73 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 -0.62 -0.15 -0.19 -1.55 0.40 -1.26 -2.49 117.98 112.12 1d2b s PHE 60 Ca 0.08 0.28 -0.02 0.00 -0.60 0.00 0.00 56.93 56.67 1d2b s PHE 60 Cb 0.05 0.06 -0.01 0.00 0.51 0.00 0.00 43.02 43.63 1d2b s PHE 60 CO 0.07 -0.29 -0.08 0.14 0.70 0.00 0.00 175.22 175.77 1d2b s VAL 61 N -0.91 3.22 -0.33 -0.44 -7.23 -0.81 -4.07 120.40 109.83 1d2b s VAL 61 Ca -0.10 -0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 59.45 1d2b s VAL 61 Cb -0.05 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.51 1d2b s VAL 61 CO 0.02 0.47 0.08 -0.31 -0.31 0.00 0.00 175.10 175.05 1d2b s TYR 62 N 1.06 3.25 0.27 2.82 1.51 0.12 -1.70 117.35 124.67 1d2b s TYR 62 Ca 0.00 -1.47 0.08 0.00 -1.01 0.00 0.00 57.07 54.67 1d2b s TYR 62 Cb -0.15 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.42 1d2b s TYR 62 CO -0.01 -0.73 0.14 -0.08 -1.11 0.00 0.00 175.55 173.75 1d2b s THR 63 N 1.38 3.96 0.40 -0.71 -1.32 -0.93 -3.08 115.64 115.34 1d2b s THR 63 Ca -0.02 -1.59 -0.26 0.00 -1.21 0.00 0.00 61.69 58.62 1d2b s THR 63 Cb -0.19 -3.18 -0.08 0.00 -1.51 0.00 0.00 72.50 67.53 1d2b s THR 63 CO 0.02 -0.33 1.21 -2.84 -2.21 0.00 0.00 174.62 170.47 1d2b s PRO 64 N -3.80 4.03 -0.43 7.08 0.02 -1.26 0.29 135.00 140.94 1d2b s PRO 64 Ca 0.33 1.94 0.05 0.00 0.02 0.00 0.00 61.00 63.34 1d2b s PRO 64 Cb -0.07 -2.71 0.66 0.00 0.02 0.00 0.00 34.50 32.40 1d2b s PRO 64 CO 0.23 -0.37 1.88 0.00 -0.33 0.00 0.00 177.00 178.41 1d2b n ALA 65 N 0.11 5.44 -1.96 -1.55 0.00 3.89 -4.24 120.51 122.20 1d2b n ALA 65 Ca 0.04 -2.88 -0.22 0.00 0.00 0.00 0.00 53.44 50.38 1d2b n ALA 65 Cb 0.45 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.57 1d2b n ALA 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1d2b s MET 66 N -3.27 2.41 0.30 0.00 0.00 -1.19 -4.72 119.30 112.83 1d2b s MET 66 Ca 0.56 -0.64 -0.28 0.00 0.00 0.00 0.00 55.69 55.33 1d2b s MET 66 Cb 0.47 -2.39 -0.09 0.00 0.00 0.00 0.00 34.83 32.82 1d2b s MET 66 CO 0.10 -0.89 1.01 -1.21 0.00 0.00 0.00 175.02 174.03 1d2b s GLU 67 N -4.92 4.58 -0.95 4.11 0.41 -1.26 -3.29 118.70 117.38 1d2b s GLU 67 Ca 0.58 1.55 0.00 0.00 -0.41 0.00 0.00 54.97 56.70 1d2b s GLU 67 Cb -0.10 -2.99 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 1d2b s GLU 67 CO 0.40 0.23 0.00 0.45 -0.49 0.00 0.00 175.26 175.86 1d2b n SER 68 N 0.85 -5.30 -4.90 -0.19 2.88 -1.26 -4.97 113.62 100.72 1d2b n SER 68 Ca 0.01 0.22 -0.28 0.00 -1.33 0.00 0.00 58.87 57.49 1d2b n SER 68 Cb 0.48 -3.60 0.03 0.00 -0.75 0.00 0.00 64.21 60.37 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 -1.93 3.79 -0.59 2.46 0.11 -1.21 -4.60 120.40 118.43 1d2b s VAL 69 Ca 0.00 0.21 -0.03 0.00 -2.93 0.00 0.00 61.98 59.22 1d2b s VAL 69 Cb 0.00 -3.52 0.18 0.00 -1.53 0.00 0.00 36.38 31.51 1d2b s VAL 69 CO 0.00 -0.59 2.46 0.00 -3.33 0.00 0.00 175.10 173.64 1d2b n GLY 71 N 0.31 0.00 2.79 0.00 0.00 -1.26 -0.86 105.19 106.17 1d2b n GLY 71 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 -1.04 -0.97 1.61 6.14 -1.26 -3.75 117.35 118.09 1d2b s TYR 72 Ca 0.00 -0.24 -0.24 0.00 0.64 0.00 0.00 57.07 57.23 1d2b s TYR 72 Cb 0.00 0.20 -0.07 0.00 0.42 0.00 0.00 41.96 42.51 1d2b s TYR 72 CO 0.00 -0.79 1.99 -0.06 0.64 0.00 0.00 175.55 177.33 1d2b s PHE 73 N 1.15 1.76 -0.53 4.97 0.40 -1.26 -4.89 117.98 119.59 1d2b s PHE 73 Ca 0.24 0.77 -0.18 0.00 -0.60 0.00 0.00 56.93 57.16 1d2b s PHE 73 Cb 0.04 -3.95 0.08 0.00 0.51 0.00 0.00 43.02 39.70 1d2b s PHE 73 CO -0.08 -1.56 0.61 -1.58 0.70 0.00 0.00 175.22 173.30 1d2b s HIS 74 N 10.97 3.07 -0.87 0.36 5.65 -1.26 -4.96 115.29 128.26 1d2b s HIS 74 Ca 0.72 -0.76 0.01 0.00 0.25 0.00 0.00 55.06 55.28 1d2b s HIS 74 Cb -0.06 -3.64 0.32 0.00 -1.18 0.00 0.00 32.58 28.02 1d2b s HIS 74 CO 0.04 -1.08 1.42 0.54 -0.65 0.00 0.00 174.74 175.01 1d2b n ARG 75 N 6.03 4.39 -3.43 2.88 5.12 -1.26 -4.90 116.66 125.49 1d2b n ARG 75 Ca -0.09 -4.71 -0.24 0.00 -1.93 0.00 0.00 57.85 50.88 1d2b n ARG 75 Cb 0.44 -2.39 -0.11 0.00 -1.16 0.00 0.00 32.46 29.24 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1d2b s SER 76 N -2.15 2.30 0.57 0.55 0.01 -1.26 -4.97 113.70 108.75 1d2b s SER 76 Ca 0.41 -1.77 0.38 0.00 1.31 0.00 0.00 55.95 56.28 1d2b s SER 76 Cb 0.19 0.01 2.02 0.00 0.21 0.00 0.00 66.02 68.45 1d2b s SER 76 CO -0.09 -0.31 2.16 0.45 0.41 0.00 0.00 173.24 175.86 1d2b h HIS 77 N 7.28 0.00 -2.90 2.43 3.86 -1.96 -3.42 115.15 120.44 1d2b h HIS 77 Ca 0.01 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.65 1d2b h HIS 77 Cb 1.01 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.45 1d2b h HIS 77 CO 0.37 0.00 1.18 1.21 0.86 0.00 0.00 177.93 181.55 1d2b s ASN 78 N -4.92 6.13 0.00 2.45 3.84 -1.26 -4.86 114.94 116.32 1d2b s ASN 78 Ca -0.04 1.18 0.27 0.00 0.21 0.00 0.00 52.86 54.49 1d2b s ASN 78 Cb 0.11 -2.53 0.97 0.00 -0.55 0.00 0.00 41.25 39.25 1d2b s ASN 78 CO 0.37 -1.54 1.71 -2.11 -2.79 0.00 0.00 177.10 172.74 1d2b n ARG 79 N 8.19 0.52 0.00 0.43 0.00 -1.26 -3.44 116.66 121.11 1d2b n ARG 79 Ca 0.20 -0.23 0.08 0.00 -0.00 0.00 0.00 57.85 57.90 1d2b n ARG 79 Cb 0.47 -1.50 0.03 0.00 -0.00 0.00 0.00 32.46 31.47 1d2b n ARG 79 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1d2b n SER 80 N -1.04 1.98 -4.68 2.89 2.88 -1.26 -4.49 113.62 109.90 1d2b n SER 80 Ca 0.11 -1.49 -0.41 0.00 -1.33 0.00 0.00 58.87 55.75 1d2b n SER 80 Cb 0.31 0.25 -0.04 0.00 -0.75 0.00 0.00 64.21 63.98 1d2b n SER 80 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1d2b s GLU 81 N -1.64 4.34 1.05 -1.46 -6.30 -1.22 -5.04 118.70 108.42 1d2b s GLU 81 Ca 0.16 1.09 -0.13 0.00 -2.50 0.00 0.00 54.97 53.59 1d2b s GLU 81 Cb 0.13 -3.56 0.21 0.00 0.00 0.00 0.00 34.13 30.92 1d2b s GLU 81 CO 0.31 -0.29 1.09 -1.21 0.02 0.00 0.00 175.26 175.17 1d2b s GLU 82 N 2.00 0.03 0.35 4.30 2.02 -1.26 -4.17 118.70 121.97 1d2b s GLU 82 Ca 0.41 0.46 -0.16 0.00 0.02 0.00 0.00 54.97 55.69 1d2b s GLU 82 Cb -0.17 -1.70 0.04 0.00 0.10 0.00 0.00 34.13 32.40 1d2b s GLU 82 CO 0.14 -2.99 0.74 -0.06 0.02 0.00 0.00 175.26 173.12 1d2b s PHE 83 N -2.92 0.09 -0.10 1.61 0.08 0.62 -4.28 117.98 113.07 1d2b s PHE 83 Ca 0.66 -0.66 0.03 0.00 0.12 0.00 0.00 56.93 57.08 1d2b s PHE 83 Cb -0.19 0.73 0.01 0.00 -0.57 0.00 0.00 43.02 43.00 1d2b s PHE 83 CO 0.58 -1.43 -0.20 -1.17 -0.10 0.00 0.00 175.22 172.90 1d2b s LEU 84 N -3.03 1.95 -0.25 -0.37 1.98 0.34 -0.93 118.68 118.36 1d2b s LEU 84 Ca 0.15 -0.50 -0.00 0.00 -2.89 0.00 0.00 54.13 50.89 1d2b s LEU 84 Cb -0.05 -1.25 0.07 0.00 0.66 0.00 0.00 46.19 45.62 1d2b s LEU 84 CO 0.10 0.10 0.02 -0.63 -1.89 0.00 0.00 176.35 174.05 1d2b s ILE 85 N 0.58 1.17 -0.31 6.68 -1.09 -0.41 -1.81 121.20 126.01 1d2b s ILE 85 Ca -0.14 -1.19 -0.15 0.00 -2.23 0.00 0.00 60.65 56.94 1d2b s ILE 85 Cb -0.17 -1.64 -0.02 0.00 -1.58 0.00 0.00 42.46 39.05 1d2b s ILE 85 CO 0.05 -0.31 0.36 0.00 -1.23 0.00 0.00 174.94 173.80 1d2b s ALA 86 N 1.53 3.52 -0.27 9.38 0.00 0.05 -1.49 121.76 134.48 1d2b s ALA 86 Ca 0.01 -1.03 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1d2b s ALA 86 Cb -0.18 -2.76 0.10 0.00 0.00 0.00 0.00 23.12 20.28 1d2b s ALA 86 CO -0.12 -0.88 0.92 0.20 0.00 0.00 0.00 175.76 175.89 1d2b s GLY 87 N 1.70 -0.29 1.01 0.00 0.00 0.56 -4.40 107.32 105.91 1d2b s GLY 87 Ca 0.13 2.43 -0.16 0.00 0.00 0.00 0.00 44.72 47.12 1d2b s GLY 87 CO 0.11 1.78 1.20 0.54 0.00 0.00 0.00 173.10 176.73 1d2b s LYS 88 N 0.24 0.28 -0.13 2.90 1.02 -1.06 0.24 119.74 123.23 1d2b s LYS 88 Ca 0.02 -0.08 0.02 0.00 0.02 0.00 0.00 55.97 55.95 1d2b s LYS 88 Cb -0.05 -1.77 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1d2b s LYS 88 CO -0.03 -2.71 -0.19 -0.51 -0.92 0.00 0.00 175.35 170.99 1d2b s LEU 89 N -6.24 1.93 -0.31 3.17 1.43 -1.26 -0.64 118.68 116.76 1d2b s LEU 89 Ca 0.70 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 53.18 1d2b s LEU 89 Cb -0.09 -1.28 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 1d2b s LEU 89 CO 0.54 0.05 0.14 0.00 0.23 0.00 0.00 176.35 177.31 1d2b s GLN 90 N 0.91 3.26 -0.25 1.70 -2.07 0.17 -4.66 119.66 118.73 1d2b s GLN 90 Ca -0.06 -0.76 -0.03 0.00 -1.82 0.00 0.00 55.36 52.68 1d2b s GLN 90 Cb -0.15 -3.54 0.03 0.00 -1.09 0.00 0.00 33.01 28.26 1d2b s GLN 90 CO -0.02 -0.44 0.08 -0.25 -1.32 0.00 0.00 175.29 173.34 1d2b n ASP 91 N 4.96 -0.99 0.00 12.60 8.00 -1.26 0.44 116.55 140.30 1d2b n ASP 91 Ca -0.14 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1d2b n ASP 91 Cb 0.49 -0.96 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 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 -0.52 1.44 3.40 0.44 0.00 -1.26 -5.10 105.19 103.58 1d2b n GLY 92 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 2.56 0.63 0.99 1.43 0.17 -4.99 118.68 119.48 1d2b s LEU 93 Ca 0.00 -0.31 -0.17 0.00 -1.03 0.00 0.00 54.13 52.62 1d2b s LEU 93 Cb 0.00 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1d2b s LEU 93 CO 0.00 0.27 1.15 -0.22 0.23 0.00 0.00 176.35 177.78 1d2b s LEU 94 N -0.30 3.51 -0.00 1.79 2.96 -1.26 0.44 118.68 125.82 1d2b s LEU 94 Ca 0.02 2.16 0.01 0.00 -0.22 0.00 0.00 54.13 56.10 1d2b s LEU 94 Cb -0.13 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 41.99 1d2b s LEU 94 CO 0.03 -1.63 -0.02 -1.00 -1.32 0.00 0.00 176.35 172.41 1d2b s HIS 95 N -2.02 0.17 0.23 5.38 3.76 0.18 0.15 115.29 123.14 1d2b s HIS 95 Ca 0.71 -0.02 -0.14 0.00 -0.15 0.00 0.00 55.06 55.46 1d2b s HIS 95 Cb -0.24 -0.13 0.00 0.00 1.11 0.00 0.00 32.58 33.32 1d2b s HIS 95 CO 0.37 -0.01 0.48 0.96 -0.85 0.00 0.00 174.74 175.69 1d2b s ILE 96 N 0.06 0.01 0.19 0.60 -0.00 -1.18 -2.57 121.20 118.31 1d2b s ILE 96 Ca -0.00 -1.26 -0.21 0.00 -0.00 0.00 0.00 60.65 59.18 1d2b s ILE 96 Cb -0.02 -2.03 0.05 0.00 -0.00 0.00 0.00 42.46 40.46 1d2b s ILE 96 CO -0.00 -0.06 0.60 0.42 -0.00 0.00 0.00 174.94 175.91 1d2b s THR 97 N -3.98 0.01 -2.00 8.37 -4.23 -1.25 -4.31 115.64 108.26 1d2b s THR 97 Ca 0.19 -0.40 0.10 0.00 -1.18 0.00 0.00 61.69 60.39 1d2b s THR 97 Cb -0.01 -1.34 0.28 0.00 1.34 0.00 0.00 72.50 72.77 1d2b s THR 97 CO 0.06 -0.04 1.02 0.35 -0.54 0.00 0.00 174.62 175.47 1d2b n THR 98 N -0.38 0.00 -0.88 3.99 -2.24 -0.03 -1.06 114.28 113.67 1d2b n THR 98 Ca -0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1d2b n THR 98 Cb 0.63 -0.57 0.17 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.25 3.21 -0.46 0.00 0.15 -0.23 -4.65 113.70 109.47 1d2b s SER 100 Ca 0.31 -0.97 -0.27 0.00 0.70 0.00 0.00 55.95 55.72 1d2b s SER 100 Cb 0.26 -0.24 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1d2b s SER 100 CO 0.05 -0.00 2.00 0.12 1.20 0.00 0.00 173.24 176.61 1d2b s PHE 101 N -2.38 1.52 -0.27 3.44 2.19 -1.26 -4.59 117.98 116.63 1d2b s PHE 101 Ca 0.25 0.89 -0.01 0.00 0.33 0.00 0.00 56.93 58.39 1d2b s PHE 101 Cb -0.05 -3.97 0.14 0.00 -1.31 0.00 0.00 43.02 37.83 1d2b s PHE 101 CO 0.11 -2.72 0.35 0.08 1.83 0.00 0.00 175.22 174.87 1d2b s VAL 102 N 9.06 -0.53 0.29 3.12 1.01 -1.26 -0.77 120.40 131.32 1d2b s VAL 102 Ca 0.81 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.32 1d2b s VAL 102 Cb -0.18 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1d2b s VAL 102 CO 0.27 -0.29 0.79 0.00 0.00 0.00 0.00 175.10 175.87 1d2b s ALA 103 N 2.47 -1.17 -0.11 5.51 0.00 -0.75 -4.98 121.76 122.73 1d2b s ALA 103 Ca 0.10 -0.37 -0.34 0.00 0.00 0.00 0.00 51.96 51.35 1d2b s ALA 103 Cb -0.14 0.77 -0.12 0.00 0.00 0.00 0.00 23.12 23.63 1d2b s ALA 103 CO -0.25 -1.03 1.90 -2.30 0.00 0.00 0.00 175.76 174.08 1d2b n PRO 104 N -0.49 2.10 -0.22 0.00 -0.02 -1.26 0.13 135.00 135.23 1d2b n PRO 104 Ca -0.05 0.76 -0.03 0.00 -2.02 0.00 0.00 63.50 62.15 1d2b n PRO 104 Cb 0.59 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.47 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 9.42 -0.76 0.00 6.00 -0.00 -1.74 0.30 115.95 129.15 1d2b h TRP 105 Ca -0.48 0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.48 1d2b h TRP 105 Cb 1.27 0.43 0.00 0.00 -0.00 0.00 0.00 29.16 30.86 1d2b h TRP 105 CO 0.88 -0.36 0.00 0.09 -0.00 0.00 0.00 178.44 179.05 1d2b n ASN 106 N -5.45 0.05 0.00 2.65 5.03 -1.26 -0.68 115.26 115.60 1d2b n ASN 106 Ca 0.06 -0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.43 1d2b n ASN 106 Cb 0.36 -0.02 0.00 0.00 -1.02 0.00 0.00 39.78 39.10 1d2b n ASN 106 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1d2b n SER 107 N 0.54 0.17 -4.44 6.41 2.88 0.10 -5.07 113.62 114.21 1d2b n SER 107 Ca 0.00 -0.51 -0.29 0.00 -1.33 0.00 0.00 58.87 56.74 1d2b n SER 107 Cb 0.01 0.54 0.15 0.00 -0.75 0.00 0.00 64.21 64.15 1d2b n SER 107 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1d2b s LEU 108 N -1.08 2.66 -0.19 2.46 1.02 0.14 -5.03 118.68 118.67 1d2b s LEU 108 Ca 0.00 0.42 -0.25 0.00 0.02 0.00 0.00 54.13 54.32 1d2b s LEU 108 Cb 0.00 -2.65 -0.01 0.00 0.02 0.00 0.00 46.19 43.55 1d2b s LEU 108 CO 0.00 -2.38 0.84 -0.44 0.02 0.00 0.00 176.35 174.39 1d2b s SER 109 N -4.77 6.92 0.35 2.29 0.01 -1.26 -4.82 113.70 112.44 1d2b s SER 109 Ca 0.69 1.14 0.31 0.00 1.31 0.00 0.00 55.95 59.40 1d2b s SER 109 Cb -0.07 -2.45 1.13 0.00 0.21 0.00 0.00 66.02 64.84 1d2b s SER 109 CO 0.51 -0.45 1.06 0.00 0.41 0.00 0.00 173.24 174.77 1d2b n LEU 110 N 5.52 0.04 0.05 2.44 -0.00 -1.26 0.73 117.00 124.52 1d2b n LEU 110 Ca 0.05 0.75 -0.04 0.00 -0.00 0.00 0.00 56.01 56.77 1d2b n LEU 110 Cb 0.48 -0.37 -0.09 0.00 -0.00 0.00 0.00 43.42 43.44 1d2b n LEU 110 CO 0.48 -0.77 -0.02 0.00 -0.00 0.00 0.00 177.39 177.08 1d2b h ALA 111 N 0.79 0.57 0.00 1.47 0.00 -1.97 -2.15 119.26 117.97 1d2b h ALA 111 Ca 0.63 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1d2b h ALA 111 Cb 2.39 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.26 1d2b h ALA 111 CO -0.09 1.15 -0.28 1.04 0.00 0.00 0.00 179.25 181.06 1d2b n GLN 112 N -3.18 0.10 0.08 0.00 1.13 3.66 0.50 117.38 119.67 1d2b n GLN 112 Ca -0.05 0.05 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 1d2b n GLN 112 Cb 0.91 -1.58 -0.08 0.00 0.11 0.00 0.00 30.24 29.60 1d2b n GLN 112 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1d2b h ARG 113 N 0.00 0.37 0.04 -1.09 9.65 0.22 -0.78 114.38 122.80 1d2b h ARG 113 Ca 0.00 -0.47 -0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1d2b h ARG 113 Cb 0.58 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 1d2b h ARG 113 CO 0.00 1.16 -0.02 0.00 2.80 0.00 0.00 179.97 183.91 1d2b h ARG 114 N 0.18 -0.05 -0.25 0.20 2.47 -0.56 -3.22 114.38 113.16 1d2b h ARG 114 Ca -0.10 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.68 1d2b h ARG 114 Cb 1.72 0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 29.98 1d2b h ARG 114 CO 0.18 -0.03 -0.33 0.78 0.56 0.00 0.00 179.97 181.14 1d2b h GLY 115 N -1.01 -0.37 0.03 0.04 0.00 1.15 0.22 103.07 103.13 1d2b h GLY 115 Ca -0.01 0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.78 1d2b h GLY 115 CO 0.01 -0.21 -0.37 0.74 0.00 0.00 0.00 176.54 176.71 1d2b h PHE 116 N -0.34 -1.05 -0.97 5.60 -1.00 -1.31 9.55 116.94 127.43 1d2b h PHE 116 Ca 0.13 0.05 0.28 0.00 2.81 0.00 0.00 57.97 61.23 1d2b h PHE 116 Cb 0.54 0.48 -0.04 0.00 3.61 0.00 0.00 35.95 40.55 1d2b h PHE 116 CO -0.47 -0.43 0.92 1.15 -1.61 0.00 0.00 178.31 177.87 1d2b h THR 117 N -0.42 0.20 0.00 -1.55 2.02 -1.03 -3.32 112.91 108.80 1d2b h THR 117 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1d2b h THR 117 Cb 0.58 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1d2b h THR 117 CO -0.40 0.00 0.00 2.29 0.37 0.00 0.00 175.52 177.78 1d2b n LYS 118 N -3.65 0.00 0.05 6.66 2.85 0.32 -5.00 118.16 119.40 1d2b n LYS 118 Ca 0.21 0.00 -0.04 0.00 -1.05 0.00 0.00 58.31 57.43 1d2b n LYS 118 Cb 1.24 -0.50 -0.08 0.00 -0.65 0.00 0.00 35.03 35.04 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 1.04 -0.62 0.58 1.35 2.01 -3.41 112.91 113.86 1d2b h THR 119 Ca 0.00 -2.65 -0.09 0.00 -0.55 0.00 0.00 66.41 63.11 1d2b h THR 119 Cb 0.00 2.46 -0.06 0.00 -1.73 0.00 0.00 68.15 68.83 1d2b h THR 119 CO 0.00 0.59 0.12 -1.22 -0.25 0.00 0.00 175.52 174.76 1d2b n TYR 120 N -3.14 2.17 -0.05 4.73 4.01 -1.04 -1.38 117.16 122.46 1d2b n TYR 120 Ca -0.06 -0.90 0.01 0.00 -0.16 0.00 0.00 57.90 56.79 1d2b n TYR 120 Cb 0.90 -0.58 -0.16 0.00 -0.31 0.00 0.00 39.34 39.20 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 0.28 0.72 0.00 -0.72 -2.24 -1.26 -3.13 114.28 107.93 1d2b n THR 121 Ca 0.32 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1d2b n THR 121 Cb 1.24 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 -2.53 0.00 -1.57 2.28 0.31 -1.26 -4.76 118.33 110.80 1d2b n VAL 122 Ca -0.17 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.22 1d2b n VAL 122 Cb 0.86 -0.27 0.14 0.00 -0.91 0.00 0.00 33.84 33.66 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 2.48 4.14 0.44 2.92 0.00 -0.48 -4.83 105.19 109.87 1d2b n GLY 123 Ca 0.00 -1.08 0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -4.81 0.24 0.00 0.00 0.28 -1.26 -3.23 120.64 111.85 1d2b n GLU 125 Ca 0.40 -0.39 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1d2b n GLU 125 Cb 1.50 -2.19 0.00 0.00 1.43 0.00 0.00 31.44 32.18 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36