#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b s THR 2 N 0.00 5.43 0.00 0.00 -1.32 -1.25 -0.29 115.64 118.21 1d2b s THR 2 Ca 0.00 -3.07 0.00 0.00 -1.21 0.00 0.00 61.69 57.41 1d2b s THR 2 Cb 0.00 -4.33 -0.00 0.00 -1.51 0.00 0.00 72.50 66.66 1d2b s THR 2 CO 0.00 -1.08 0.00 0.00 -2.21 0.00 0.00 174.62 171.33 1d2b s VAL 4 N -1.02 5.00 -0.49 0.00 -7.23 -1.26 -4.72 120.40 110.67 1d2b s VAL 4 Ca 0.00 -0.07 -0.44 0.00 -1.81 0.00 0.00 61.98 59.65 1d2b s VAL 4 Cb 0.00 -3.85 -0.19 0.00 0.56 0.00 0.00 36.38 32.90 1d2b s VAL 4 CO 0.00 -0.67 2.05 -2.65 -0.31 0.00 0.00 175.10 173.52 1d2b n PRO 5 N -1.90 0.06 -3.32 4.82 -0.02 -1.26 -4.91 135.00 128.47 1d2b n PRO 5 Ca -0.02 0.02 -0.38 0.00 -2.02 0.00 0.00 63.50 61.09 1d2b n PRO 5 Cb 0.55 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 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 5.50 4.19 -0.04 0.52 0.05 -1.26 -4.98 135.00 138.98 1d2b s PRO 6 Ca 1.17 0.60 -0.20 0.00 0.05 0.00 0.00 61.00 62.62 1d2b s PRO 6 Cb -1.47 -3.30 -0.10 0.00 0.05 0.00 0.00 34.50 29.68 1d2b s PRO 6 CO 0.68 0.48 0.56 0.72 0.05 0.00 0.00 177.00 179.49 1d2b n HIS 7 N 2.41 0.40 0.32 0.56 8.25 -1.26 -4.49 115.22 121.41 1d2b n HIS 7 Ca -0.10 0.52 0.15 0.00 -0.26 0.00 0.00 57.72 58.04 1d2b n HIS 7 Cb 0.51 -1.03 0.63 0.00 1.12 0.00 0.00 29.99 31.22 1d2b n HIS 7 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1d2b h PRO 8 N 1.61 0.00 0.15 -0.41 0.13 -1.95 0.46 132.00 132.00 1d2b h PRO 8 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1d2b h PRO 8 Cb 0.69 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.82 1d2b h PRO 8 CO 0.34 0.00 -0.09 0.37 -0.23 0.00 0.00 178.00 178.39 1d2b h GLN 9 N 0.00 -0.22 -0.05 0.86 4.15 -1.87 1.84 115.11 119.81 1d2b h GLN 9 Ca 0.00 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.47 1d2b h GLN 9 Cb 0.44 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.13 1d2b h GLN 9 CO 0.00 -0.15 -0.26 1.15 -1.93 0.00 0.00 178.83 177.64 1d2b h THR 10 N -0.23 0.40 -0.22 2.39 2.02 -1.66 0.50 112.91 116.11 1d2b h THR 10 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.20 1d2b h THR 10 Cb 0.19 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1d2b h THR 10 CO 0.02 0.00 -0.03 0.00 0.37 0.00 0.00 175.52 175.88 1d2b h ALA 11 N 0.49 0.17 0.45 6.16 0.00 0.03 0.45 119.26 127.01 1d2b h ALA 11 Ca 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1d2b h ALA 11 Cb 0.48 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1d2b h ALA 11 CO -0.26 -0.45 -0.21 0.35 0.00 0.00 0.00 179.25 178.67 1d2b h PHE 12 N 0.03 -0.55 0.00 0.00 3.04 0.32 -2.22 116.94 117.56 1d2b h PHE 12 Ca 0.11 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.04 1d2b h PHE 12 Cb 0.15 0.18 -0.00 0.00 2.56 0.00 0.00 35.95 38.84 1d2b h PHE 12 CO -0.21 -0.34 -0.00 0.00 -2.02 0.00 0.00 178.31 175.73 1d2b n ASN 14 N -3.12 0.82 -4.78 0.00 3.02 0.16 -4.92 115.26 106.45 1d2b n ASN 14 Ca -0.02 0.19 -0.36 0.00 -0.03 0.00 0.00 54.58 54.36 1d2b n ASN 14 Cb 0.16 0.19 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 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 -6.03 6.11 0.00 6.41 0.15 -0.83 -4.95 113.70 114.56 1d2b s SER 15 Ca -0.12 2.14 0.21 0.00 0.70 0.00 0.00 55.95 58.89 1d2b s SER 15 Cb 0.07 -2.58 0.57 0.00 -1.71 0.00 0.00 66.02 62.37 1d2b s SER 15 CO 0.80 -0.95 1.48 0.47 1.20 0.00 0.00 173.24 176.24 1d2b n ASP 16 N -0.84 3.75 -3.53 5.45 9.92 -1.26 -4.86 116.55 125.19 1d2b n ASP 16 Ca 0.09 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.36 1d2b n ASP 16 Cb 0.50 -0.42 -0.04 0.00 -0.64 0.00 0.00 41.12 40.52 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 -1.06 -0.85 -0.04 0.64 1.43 0.31 -4.37 118.68 114.74 1d2b s LEU 17 Ca 0.44 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1d2b s LEU 17 Cb 0.23 1.98 0.03 0.00 0.03 0.00 0.00 46.19 48.46 1d2b s LEU 17 CO 0.31 -0.16 0.03 -0.69 0.23 0.00 0.00 176.35 176.06 1d2b s VAL 18 N 2.62 0.06 0.06 -1.59 1.01 -0.77 0.24 120.40 122.03 1d2b s VAL 18 Ca -0.04 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 1d2b s VAL 18 Cb -0.09 -0.24 0.05 0.00 0.00 0.00 0.00 36.38 36.11 1d2b s VAL 18 CO -0.18 0.17 0.51 0.27 0.00 0.00 0.00 175.10 175.86 1d2b s ILE 19 N 1.62 0.03 -0.14 2.22 -4.36 0.76 0.49 121.20 121.82 1d2b s ILE 19 Ca -0.02 -0.28 -0.12 0.00 -0.26 0.00 0.00 60.65 59.97 1d2b s ILE 19 Cb -0.13 -1.00 -0.05 0.00 1.25 0.00 0.00 42.46 42.54 1d2b s ILE 19 CO -0.03 -0.15 0.27 0.00 0.24 0.00 0.00 174.94 175.26 1d2b s ARG 20 N -2.69 4.09 0.24 0.37 1.70 -0.14 -0.03 118.95 122.49 1d2b s ARG 20 Ca -0.04 0.07 -0.15 0.00 -0.47 0.00 0.00 55.73 55.14 1d2b s ARG 20 Cb -0.00 -3.36 0.01 0.00 -0.57 0.00 0.00 34.95 31.02 1d2b s ARG 20 CO -0.04 0.38 0.51 0.00 -1.08 0.00 0.00 175.30 175.08 1d2b s ALA 21 N 0.04 -0.54 0.01 7.88 0.00 -0.61 -1.26 121.76 127.28 1d2b s ALA 21 Ca 0.16 -0.64 0.04 0.00 0.00 0.00 0.00 51.96 51.52 1d2b s ALA 21 Cb -0.13 0.97 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 1d2b s ALA 21 CO 0.04 -0.86 -0.07 0.15 0.00 0.00 0.00 175.76 175.02 1d2b s LYS 22 N -3.97 2.50 -0.27 0.00 1.02 0.98 0.21 119.74 120.21 1d2b s LYS 22 Ca 0.17 -0.76 -0.16 0.00 0.02 0.00 0.00 55.97 55.25 1d2b s LYS 22 Cb -0.01 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 1d2b s LYS 22 CO 0.05 0.59 0.43 -0.06 -0.92 0.00 0.00 175.35 175.44 1d2b s PHE 23 N -1.01 3.25 -0.29 3.18 0.40 -1.26 0.52 117.98 122.77 1d2b s PHE 23 Ca 0.17 0.46 0.18 0.00 -0.60 0.00 0.00 56.93 57.14 1d2b s PHE 23 Cb -0.11 -2.64 0.49 0.00 0.51 0.00 0.00 43.02 41.26 1d2b s PHE 23 CO 0.08 -0.27 1.09 1.33 0.70 0.00 0.00 175.22 178.15 1d2b n VAL 24 N 5.15 1.49 -3.61 -0.44 0.24 -0.98 -4.49 118.33 115.69 1d2b n VAL 24 Ca -0.07 -3.29 -0.06 0.00 -2.04 0.00 0.00 64.34 58.88 1d2b n VAL 24 Cb 0.50 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.46 1d2b n VAL 24 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1d2b s GLY 25 N -3.62 -0.36 0.20 7.63 0.00 -1.00 -4.72 107.32 105.44 1d2b s GLY 25 Ca 0.32 0.62 0.01 0.00 0.00 0.00 0.00 44.72 45.68 1d2b s GLY 25 CO -0.02 0.19 0.35 -1.08 0.00 0.00 0.00 173.10 172.54 1d2b s THR 26 N -3.18 5.25 -0.22 0.90 -1.32 -1.26 -4.23 115.64 111.58 1d2b s THR 26 Ca 0.08 -0.58 -0.29 0.00 -1.21 0.00 0.00 61.69 59.69 1d2b s THR 26 Cb -0.01 -3.76 0.00 0.00 -1.51 0.00 0.00 72.50 67.22 1d2b s THR 26 CO -0.04 -0.19 1.10 -2.16 -2.21 0.00 0.00 174.62 171.12 1d2b s PRO 27 N -3.44 4.23 -0.43 7.08 0.04 -1.25 -4.31 135.00 136.92 1d2b s PRO 27 Ca 0.36 1.40 -0.22 0.00 0.04 0.00 0.00 61.00 62.59 1d2b s PRO 27 Cb -0.11 -3.68 0.02 0.00 0.04 0.00 0.00 34.50 30.77 1d2b s PRO 27 CO 0.29 -0.68 0.70 -1.21 0.04 0.00 0.00 177.00 176.13 1d2b s GLU 28 N 3.33 3.40 -0.52 4.56 2.02 0.67 -4.88 118.70 127.29 1d2b s GLU 28 Ca 0.47 -0.19 -0.08 0.00 0.02 0.00 0.00 54.97 55.19 1d2b s GLU 28 Cb -0.16 -3.92 0.13 0.00 0.10 0.00 0.00 34.13 30.28 1d2b s GLU 28 CO 0.09 -1.00 0.38 0.08 0.02 0.00 0.00 175.26 174.83 1d2b s VAL 29 N 2.98 4.12 0.63 2.63 1.01 -1.26 -2.28 120.40 128.21 1d2b s VAL 29 Ca 0.26 -2.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.01 1d2b s VAL 29 Cb -0.13 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1d2b s VAL 29 CO 0.20 -0.80 1.06 0.21 0.00 0.00 0.00 175.10 175.76 1d2b s ASN 30 N 2.18 5.67 0.00 3.32 2.47 -1.26 -4.92 114.94 122.39 1d2b s ASN 30 Ca 0.09 1.74 0.29 0.00 0.42 0.00 0.00 52.86 55.40 1d2b s ASN 30 Cb -0.23 -2.52 1.29 0.00 -1.45 0.00 0.00 41.25 38.34 1d2b s ASN 30 CO -0.02 -1.25 1.92 0.00 -3.72 0.00 0.00 177.10 174.03 1d2b n GLN 31 N -2.39 0.35 -2.33 0.43 1.13 -1.26 -3.98 117.38 109.32 1d2b n GLN 31 Ca 0.08 -0.06 -0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1d2b n GLN 31 Cb 0.53 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.43 1d2b n GLN 31 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 1d2b n THR 32 N -1.27 0.62 -0.10 5.09 -1.04 -1.26 -4.85 114.28 111.47 1d2b n THR 32 Ca 0.12 -1.86 -0.22 0.00 -2.04 0.00 0.00 64.05 60.05 1d2b n THR 32 Cb 0.28 1.11 -0.08 0.00 -1.82 0.00 0.00 70.33 69.83 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 -0.47 1.14 0.00 12.58 5.66 -1.26 -4.98 114.28 126.96 1d2b n THR 33 Ca -0.01 -0.30 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1d2b n THR 33 Cb 0.89 -1.77 0.00 0.00 -1.55 0.00 0.00 70.33 67.90 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 -3.91 0.00 -4.12 1.09 4.77 -1.26 -4.88 117.00 108.69 1d2b n LEU 34 Ca -0.41 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.46 1d2b n LEU 34 Cb 0.79 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.80 1d2b n LEU 34 CO 0.03 0.00 -0.11 -0.72 -1.33 0.00 0.00 177.39 175.26 1d2b s TYR 35 N -2.43 0.86 0.07 -1.77 1.13 -1.26 0.79 117.35 114.75 1d2b s TYR 35 Ca 0.00 -1.14 0.00 0.00 -1.41 0.00 0.00 57.07 54.52 1d2b s TYR 35 Cb 0.00 -0.31 -0.00 0.00 -1.10 0.00 0.00 41.96 40.55 1d2b s TYR 35 CO 0.00 -0.74 0.02 1.04 -2.51 0.00 0.00 175.55 173.36 1d2b n GLN 36 N -0.29 1.16 -3.74 -3.49 6.02 0.76 -4.19 117.38 113.62 1d2b n GLN 36 Ca -0.00 -0.60 -0.13 0.00 -0.01 0.00 0.00 57.00 56.26 1d2b n GLN 36 Cb 0.64 0.27 -0.10 0.00 1.02 0.00 0.00 30.24 32.08 1d2b n GLN 36 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1d2b s ARG 37 N -2.28 0.51 0.07 -1.09 3.52 -0.97 -2.82 118.95 115.90 1d2b s ARG 37 Ca 0.02 0.34 0.04 0.00 -0.13 0.00 0.00 55.73 56.01 1d2b s ARG 37 Cb 0.00 0.24 -0.03 0.00 -1.56 0.00 0.00 34.95 33.60 1d2b s ARG 37 CO 0.02 -0.09 -0.12 0.71 -0.81 0.00 0.00 175.30 175.00 1d2b s TYR 38 N -0.22 1.09 -0.03 5.12 1.51 -0.64 -0.23 117.35 123.95 1d2b s TYR 38 Ca -0.04 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 1d2b s TYR 38 Cb -0.03 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 1d2b s TYR 38 CO 0.02 0.02 0.12 -2.00 -1.11 0.00 0.00 175.55 172.60 1d2b s GLU 39 N -1.91 3.25 -0.09 -0.62 -6.30 -1.26 -1.03 118.70 110.75 1d2b s GLU 39 Ca -0.02 -0.36 -0.07 0.00 -2.50 0.00 0.00 54.97 52.02 1d2b s GLU 39 Cb -0.09 -3.00 0.03 0.00 0.00 0.00 0.00 34.13 31.08 1d2b s GLU 39 CO 0.02 0.68 0.23 0.96 0.02 0.00 0.00 175.26 177.17 1d2b s ILE 40 N -1.19 -0.01 -1.11 -3.70 -4.36 -0.40 -2.33 121.20 108.10 1d2b s ILE 40 Ca 0.22 0.05 -0.22 0.00 -0.26 0.00 0.00 60.65 60.44 1d2b s ILE 40 Cb -0.12 -0.33 -0.01 0.00 1.25 0.00 0.00 42.46 43.24 1d2b s ILE 40 CO 0.13 0.02 1.80 -0.75 0.24 0.00 0.00 174.94 176.38 1d2b s LYS 41 N 0.49 3.07 0.09 0.37 2.47 1.98 -4.79 119.74 123.42 1d2b s LYS 41 Ca -0.03 -1.14 -0.31 0.00 -1.56 0.00 0.00 55.97 52.93 1d2b s LYS 41 Cb -0.05 -5.29 -0.10 0.00 -1.46 0.00 0.00 37.83 30.94 1d2b s LYS 41 CO -0.03 -3.10 1.84 1.41 0.16 0.00 0.00 175.35 175.63 1d2b s MET 42 N 5.79 4.14 -0.09 4.03 -2.45 -1.26 -0.02 119.30 129.46 1d2b s MET 42 Ca 0.61 2.56 -0.04 0.00 -1.25 0.00 0.00 55.69 57.58 1d2b s MET 42 Cb -0.01 -3.74 -0.01 0.00 1.25 0.00 0.00 34.83 32.32 1d2b s MET 42 CO 0.04 -0.86 -0.07 1.79 1.05 0.00 0.00 175.02 176.97 1d2b h THR 43 N 4.94 0.00 -2.65 10.11 1.35 -1.52 -3.47 112.91 121.67 1d2b h THR 43 Ca -0.46 -0.70 -0.08 0.00 -0.55 0.00 0.00 66.41 64.61 1d2b h THR 43 Cb 1.22 0.00 -0.19 0.00 -1.73 0.00 0.00 68.15 67.45 1d2b h THR 43 CO 0.94 0.00 -0.05 -1.59 -0.25 0.00 0.00 175.52 174.57 1d2b s LYS 44 N -1.67 0.88 0.04 4.72 -2.85 -0.94 -5.04 119.74 114.88 1d2b s LYS 44 Ca -0.06 -0.07 -0.13 0.00 -1.00 0.00 0.00 55.97 54.71 1d2b s LYS 44 Cb 0.01 0.40 -0.06 0.00 -2.06 0.00 0.00 37.83 36.12 1d2b s LYS 44 CO 0.09 -0.28 0.41 0.00 0.10 0.00 0.00 175.35 175.67 1d2b s MET 45 N -1.60 3.85 -0.08 1.78 0.23 -1.26 -0.96 119.30 121.25 1d2b s MET 45 Ca -0.10 0.31 0.12 0.00 -1.03 0.00 0.00 55.69 54.98 1d2b s MET 45 Cb -0.02 -3.11 0.21 0.00 -1.53 0.00 0.00 34.83 30.38 1d2b s MET 45 CO 0.04 0.63 1.13 0.66 -2.03 0.00 0.00 175.02 175.45 1d2b n TYR 46 N 1.39 0.12 0.00 3.16 4.01 0.18 -4.90 117.16 121.12 1d2b n TYR 46 Ca -0.11 -0.79 0.00 0.00 -0.16 0.00 0.00 57.90 56.84 1d2b n TYR 46 Cb 0.52 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 1d2b n TYR 46 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1d2b n LYS 47 N -0.91 0.00 0.00 -0.72 0.00 0.41 -4.76 118.16 112.17 1d2b n LYS 47 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.42 1d2b n LYS 47 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 0.00 0.00 3.14 0.00 -1.26 -1.85 105.19 105.22 1d2b n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d2b n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2b n PHE 49 N 0.00 0.00 -0.13 1.61 3.72 -1.26 0.88 117.46 122.28 1d2b n PHE 49 Ca 0.00 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.16 1d2b n PHE 49 Cb 0.00 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 1d2b n PHE 49 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 1d2b n GLN 50 N -0.55 0.60 0.00 -1.08 7.27 -1.26 -4.38 117.38 117.98 1d2b n GLN 50 Ca 0.00 0.21 0.14 0.00 0.07 0.00 0.00 57.00 57.42 1d2b n GLN 50 Cb 0.00 -1.49 0.54 0.00 2.41 0.00 0.00 30.24 31.71 1d2b n GLN 50 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1d2b n ALA 51 N -3.80 2.73 -0.62 1.69 0.00 0.25 -4.73 120.51 116.03 1d2b n ALA 51 Ca -0.50 -0.20 -0.25 0.00 0.00 0.00 0.00 53.44 52.49 1d2b n ALA 51 Cb 0.92 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.95 1d2b n ALA 51 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1d2b n LEU 52 N -1.36 0.22 0.38 0.00 7.94 0.23 -4.61 117.00 119.80 1d2b n LEU 52 Ca 0.09 -1.09 -0.19 0.00 -1.11 0.00 0.00 56.01 53.71 1d2b n LEU 52 Cb 0.32 -0.31 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1d2b n LEU 52 CO 0.28 -1.54 0.54 1.23 -1.11 0.00 0.00 177.39 176.79 1d2b h GLY 53 N 13.14 -1.30 0.00 -3.96 0.00 -1.86 -3.44 103.07 105.65 1d2b h GLY 53 Ca 0.14 0.56 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1d2b h GLY 53 CO 1.36 -0.42 0.00 1.34 0.00 0.00 0.00 176.54 178.82 1d2b n ASP 54 N -5.60 0.00 0.00 0.19 2.03 -1.26 -5.06 116.55 106.85 1d2b n ASP 54 Ca -0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.17 1d2b n ASP 54 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1d2b n ALA 55 N -1.21 1.00 -3.84 -1.67 0.00 -1.26 -5.01 120.51 108.51 1d2b n ALA 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1d2b n ALA 55 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.00 3.86 -1.38 0.00 0.00 -1.26 -4.86 121.76 117.11 1d2b s ALA 56 Ca 0.00 -3.77 0.19 0.00 0.00 0.00 0.00 51.96 48.38 1d2b s ALA 56 Cb 0.00 -2.33 0.62 0.00 0.00 0.00 0.00 23.12 21.41 1d2b s ALA 56 CO 0.00 -2.10 1.52 -0.40 0.00 0.00 0.00 175.76 174.78 1d2b n ASP 57 N 2.21 4.11 -3.18 0.00 5.75 -1.26 -4.74 116.55 119.44 1d2b n ASP 57 Ca 0.18 -2.22 -0.18 0.00 -0.01 0.00 0.00 54.79 52.56 1d2b n ASP 57 Cb 0.35 -0.49 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1d2b s ILE 58 N -1.42 -0.21 -0.00 2.12 1.01 -1.26 -4.77 121.20 116.67 1d2b s ILE 58 Ca 0.45 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 59.26 1d2b s ILE 58 Cb 0.27 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1d2b s ILE 58 CO 0.26 -0.73 0.65 0.54 0.00 0.00 0.00 174.94 175.66 1d2b n ARG 59 N 3.09 0.20 -3.80 2.79 1.74 -1.26 -4.81 116.66 114.60 1d2b n ARG 59 Ca 0.23 -0.80 -0.12 0.00 -0.77 0.00 0.00 57.85 56.39 1d2b n ARG 59 Cb 0.50 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.84 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 -0.30 -0.14 -0.18 -1.55 0.40 -1.26 -1.27 117.98 113.69 1d2b s PHE 60 Ca 0.00 0.25 -0.01 0.00 -0.60 0.00 0.00 56.93 56.57 1d2b s PHE 60 Cb 0.00 0.05 -0.00 0.00 0.51 0.00 0.00 43.02 43.58 1d2b s PHE 60 CO 0.00 -0.29 -0.12 0.14 0.70 0.00 0.00 175.22 175.65 1d2b s VAL 61 N -0.95 2.83 -0.39 -0.44 -7.23 -0.20 -3.57 120.40 110.45 1d2b s VAL 61 Ca -0.10 -0.70 -0.09 0.00 -1.81 0.00 0.00 61.98 59.28 1d2b s VAL 61 Cb -0.05 -2.23 0.06 0.00 0.56 0.00 0.00 36.38 34.72 1d2b s VAL 61 CO 0.02 0.49 0.21 -0.31 -0.31 0.00 0.00 175.10 175.20 1d2b s TYR 62 N 1.08 3.31 0.02 2.82 1.51 0.25 -1.62 117.35 124.72 1d2b s TYR 62 Ca -0.00 -1.43 0.06 0.00 -1.01 0.00 0.00 57.07 54.69 1d2b s TYR 62 Cb -0.15 -2.69 -0.03 0.00 -0.11 0.00 0.00 41.96 38.98 1d2b s TYR 62 CO -0.03 -0.79 -0.15 -0.08 -1.11 0.00 0.00 175.55 173.39 1d2b s THR 63 N 1.43 2.98 0.26 -0.71 -1.32 -1.13 -2.92 115.64 114.24 1d2b s THR 63 Ca 0.02 -1.05 -0.31 0.00 -1.21 0.00 0.00 61.69 59.15 1d2b s THR 63 Cb -0.21 -2.25 -0.13 0.00 -1.51 0.00 0.00 72.50 68.40 1d2b s THR 63 CO 0.03 0.38 1.42 -2.65 -2.21 0.00 0.00 174.62 171.59 1d2b n PRO 64 N 1.65 2.16 -2.97 7.08 -0.02 -1.25 0.27 135.00 141.93 1d2b n PRO 64 Ca -0.16 0.77 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 1d2b n PRO 64 Cb 0.52 -2.44 -0.02 0.00 -0.02 0.00 0.00 33.50 31.55 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 1.71 5.08 -2.48 3.55 0.00 4.25 -2.56 120.51 130.06 1d2b n ALA 65 Ca 0.10 -4.72 -0.11 0.00 0.00 0.00 0.00 53.44 48.71 1d2b n ALA 65 Cb 0.33 -1.55 -0.09 0.00 0.00 0.00 0.00 19.45 18.14 1d2b n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2b s MET 66 N -3.37 1.32 0.01 0.00 0.23 -1.24 -4.09 119.30 112.16 1d2b s MET 66 Ca 0.40 -1.54 -0.27 0.00 -1.03 0.00 0.00 55.69 53.26 1d2b s MET 66 Cb 0.17 0.33 -0.04 0.00 -1.53 0.00 0.00 34.83 33.76 1d2b s MET 66 CO -0.05 -0.47 0.83 -1.21 -2.03 0.00 0.00 175.02 172.09 1d2b s GLU 67 N -4.09 4.53 -0.41 3.16 0.41 -1.26 -3.72 118.70 117.31 1d2b s GLU 67 Ca 0.34 1.17 -0.02 0.00 -0.41 0.00 0.00 54.97 56.05 1d2b s GLU 67 Cb 0.05 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 1d2b s GLU 67 CO 0.12 0.12 0.36 0.43 -0.49 0.00 0.00 175.26 175.79 1d2b n SER 68 N 3.37 -2.93 0.00 -0.19 7.64 -1.26 -5.04 113.62 115.22 1d2b n SER 68 Ca 0.01 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1d2b n SER 68 Cb 0.51 -1.95 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1d2b n VAL 69 N -2.86 0.00 0.00 0.44 3.14 -1.24 -4.58 118.33 113.22 1d2b n VAL 69 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1d2b n VAL 69 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.31 1d2b n VAL 69 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d2b n GLY 71 N 1.74 -1.20 3.56 0.00 0.00 -1.06 -4.65 105.19 103.58 1d2b n GLY 71 Ca 0.00 0.77 -0.27 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.71 1.75 -0.40 1.61 5.04 -1.26 -4.87 117.35 116.50 1d2b s TYR 72 Ca 0.11 0.73 -0.24 0.00 -2.44 0.00 0.00 57.07 55.23 1d2b s TYR 72 Cb -0.03 -4.01 0.02 0.00 0.35 0.00 0.00 41.96 38.28 1d2b s TYR 72 CO 0.68 -1.80 0.83 -0.06 -1.34 0.00 0.00 175.55 173.87 1d2b s PHE 73 N 10.25 3.04 -0.22 4.97 0.40 -1.26 -4.97 117.98 130.19 1d2b s PHE 73 Ca 0.71 0.47 -0.08 0.00 -0.60 0.00 0.00 56.93 57.43 1d2b s PHE 73 Cb -0.08 -3.61 -0.04 0.00 0.51 0.00 0.00 43.02 39.80 1d2b s PHE 73 CO 0.02 -0.88 0.08 -1.58 0.70 0.00 0.00 175.22 173.56 1d2b s HIS 74 N 3.33 3.18 -0.61 0.36 5.65 -1.26 -5.04 115.29 120.90 1d2b s HIS 74 Ca 0.33 -0.11 0.04 0.00 0.25 0.00 0.00 55.06 55.58 1d2b s HIS 74 Cb -0.12 -2.17 0.16 0.00 -1.18 0.00 0.00 32.58 29.27 1d2b s HIS 74 CO 0.20 -0.07 0.39 1.03 -0.65 0.00 0.00 174.74 175.65 1d2b s ARG 75 N 0.97 2.10 -0.33 2.88 1.81 -1.26 -5.03 118.95 120.09 1d2b s ARG 75 Ca 0.04 -2.93 -0.01 0.00 -1.72 0.00 0.00 55.73 51.12 1d2b s ARG 75 Cb -0.14 -3.13 0.11 0.00 -0.45 0.00 0.00 34.95 31.33 1d2b s ARG 75 CO 0.03 -1.23 0.12 -1.12 -0.68 0.00 0.00 175.30 172.42 1d2b s SER 76 N -0.85 3.92 0.13 0.23 0.01 -1.26 -5.00 113.70 110.88 1d2b s SER 76 Ca 0.23 -1.77 -0.22 0.00 1.31 0.00 0.00 55.95 55.50 1d2b s SER 76 Cb -0.12 -0.85 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 1d2b s SER 76 CO -0.11 -0.39 1.66 0.45 0.41 0.00 0.00 173.24 175.26 1d2b h HIS 77 N 7.89 -0.42 -2.67 2.43 -0.00 -1.99 -3.40 115.15 116.99 1d2b h HIS 77 Ca -0.11 0.02 -0.57 0.00 -0.00 0.00 0.00 60.37 59.71 1d2b h HIS 77 Cb 1.00 0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.59 1d2b h HIS 77 CO 0.37 -0.23 1.22 1.21 -0.00 0.00 0.00 177.93 180.50 1d2b s ASN 78 N -5.05 6.10 0.21 2.45 2.47 -1.26 -4.86 114.94 115.00 1d2b s ASN 78 Ca -0.14 1.52 0.25 0.00 0.42 0.00 0.00 52.86 54.90 1d2b s ASN 78 Cb 0.10 -2.53 0.89 0.00 -1.45 0.00 0.00 41.25 38.27 1d2b s ASN 78 CO 0.68 -1.50 1.76 -1.14 -3.72 0.00 0.00 177.10 173.17 1d2b n ARG 79 N 8.09 0.22 -0.37 0.43 0.63 -1.26 -2.34 116.66 122.05 1d2b n ARG 79 Ca 0.21 0.27 0.10 0.00 -0.92 0.00 0.00 57.85 57.52 1d2b n ARG 79 Cb 0.46 -1.80 0.30 0.00 0.45 0.00 0.00 32.46 31.87 1d2b n ARG 79 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1d2b n SER 80 N -2.19 3.69 -4.66 6.15 7.64 -1.26 -4.25 113.62 118.74 1d2b n SER 80 Ca 0.04 -2.06 -0.41 0.00 1.01 0.00 0.00 58.87 57.46 1d2b n SER 80 Cb 0.35 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.20 4.23 0.94 1.43 2.56 -0.99 -5.03 118.70 120.64 1d2b s GLU 81 Ca 0.45 0.90 -0.13 0.00 0.00 0.00 0.00 54.97 56.18 1d2b s GLU 81 Cb 0.24 -3.60 0.16 0.00 2.00 0.00 0.00 34.13 32.93 1d2b s GLU 81 CO 0.29 -0.38 1.16 -1.83 -0.56 0.00 0.00 175.26 173.94 1d2b s GLU 82 N 2.37 0.86 0.33 4.30 -1.05 -1.26 -3.98 118.70 120.28 1d2b s GLU 82 Ca 0.35 0.17 -0.14 0.00 -0.15 0.00 0.00 54.97 55.19 1d2b s GLU 82 Cb -0.16 -1.82 0.03 0.00 -0.44 0.00 0.00 34.13 31.74 1d2b s GLU 82 CO 0.10 -2.36 0.68 -0.06 0.95 0.00 0.00 175.26 174.57 1d2b s PHE 83 N -3.33 0.23 -0.17 4.83 0.08 0.56 -4.37 117.98 115.82 1d2b s PHE 83 Ca 0.66 -0.73 0.00 0.00 0.12 0.00 0.00 56.93 56.97 1d2b s PHE 83 Cb -0.13 0.56 0.00 0.00 -0.57 0.00 0.00 43.02 42.89 1d2b s PHE 83 CO 0.53 -1.33 -0.15 -1.17 -0.10 0.00 0.00 175.22 172.99 1d2b s LEU 84 N -3.05 2.41 -0.26 -0.37 1.98 0.17 -1.58 118.68 117.98 1d2b s LEU 84 Ca 0.18 -0.52 0.00 0.00 -2.89 0.00 0.00 54.13 50.90 1d2b s LEU 84 Cb -0.04 -1.56 0.07 0.00 0.66 0.00 0.00 46.19 45.33 1d2b s LEU 84 CO 0.11 0.04 -0.00 -0.63 -1.89 0.00 0.00 176.35 173.98 1d2b s ILE 85 N 1.06 1.40 -0.35 6.68 1.01 0.96 -2.08 121.20 129.88 1d2b s ILE 85 Ca -0.01 -1.32 -0.15 0.00 0.00 0.00 0.00 60.65 59.17 1d2b s ILE 85 Cb -0.14 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 1d2b s ILE 85 CO -0.05 -0.27 0.35 0.00 0.00 0.00 0.00 174.94 174.97 1d2b s ALA 86 N 1.42 3.49 -0.28 9.38 0.00 -0.14 -0.17 121.76 135.46 1d2b s ALA 86 Ca -0.01 -1.28 -0.25 0.00 0.00 0.00 0.00 51.96 50.42 1d2b s ALA 86 Cb -0.18 -2.82 0.11 0.00 0.00 0.00 0.00 23.12 20.22 1d2b s ALA 86 CO -0.10 -1.12 0.94 0.20 0.00 0.00 0.00 175.76 175.68 1d2b s GLY 87 N 1.74 -0.27 0.98 0.00 0.00 0.66 -4.37 107.32 106.05 1d2b s GLY 87 Ca 0.11 2.47 -0.15 0.00 0.00 0.00 0.00 44.72 47.15 1d2b s GLY 87 CO 0.12 1.79 1.23 0.54 0.00 0.00 0.00 173.10 176.78 1d2b s LYS 88 N 0.24 0.56 0.06 2.90 1.02 -1.10 0.11 119.74 123.53 1d2b s LYS 88 Ca 0.02 -0.15 0.05 0.00 0.02 0.00 0.00 55.97 55.91 1d2b s LYS 88 Cb -0.05 -1.81 -0.04 0.00 -0.52 0.00 0.00 37.83 35.41 1d2b s LYS 88 CO -0.04 -2.51 -0.07 -0.51 -0.92 0.00 0.00 175.35 171.30 1d2b s LEU 89 N -6.07 3.16 -0.25 3.17 1.43 -1.26 0.22 118.68 119.09 1d2b s LEU 89 Ca 0.70 -0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 1d2b s LEU 89 Cb -0.08 -1.89 0.07 0.00 0.03 0.00 0.00 46.19 44.32 1d2b s LEU 89 CO 0.53 0.22 -0.03 -1.58 0.23 0.00 0.00 176.35 175.73 1d2b s GLN 90 N -1.88 1.47 -0.28 1.70 -0.44 0.42 -4.78 119.66 115.87 1d2b s GLN 90 Ca 0.20 -1.03 -0.04 0.00 -2.50 0.00 0.00 55.36 52.00 1d2b s GLN 90 Cb -0.11 -2.55 0.04 0.00 -1.64 0.00 0.00 33.01 28.74 1d2b s GLN 90 CO 0.12 -0.66 0.09 -0.25 0.50 0.00 0.00 175.29 175.09 1d2b n ASP 91 N 4.68 -1.15 0.00 6.67 8.00 -1.26 -0.24 116.55 133.26 1d2b n ASP 91 Ca -0.10 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1d2b n ASP 91 Cb 0.44 -1.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 -0.59 3.40 3.77 0.44 0.00 -1.26 -5.10 105.19 105.85 1d2b n GLY 92 Ca 0.02 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.81 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 4.40 -0.37 0.99 2.01 0.67 -4.77 118.68 121.61 1d2b s LEU 93 Ca 0.00 2.20 -0.25 0.00 0.01 0.00 0.00 54.13 56.09 1d2b s LEU 93 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 46.19 42.38 1d2b s LEU 93 CO 0.00 -0.28 0.87 -0.22 1.01 0.00 0.00 176.35 177.73 1d2b s LEU 94 N -1.89 4.05 0.13 1.79 2.96 -1.23 0.16 118.68 124.65 1d2b s LEU 94 Ca 0.49 0.48 -0.07 0.00 -0.22 0.00 0.00 54.13 54.81 1d2b s LEU 94 Cb -0.29 -3.17 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 1d2b s LEU 94 CO 0.37 -0.81 0.42 -1.00 -1.32 0.00 0.00 176.35 174.00 1d2b s HIS 95 N 3.33 3.50 0.05 5.38 3.76 0.13 0.87 115.29 132.31 1d2b s HIS 95 Ca 0.35 0.70 0.01 0.00 -0.15 0.00 0.00 55.06 55.97 1d2b s HIS 95 Cb -0.12 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 1d2b s HIS 95 CO 0.18 0.44 -0.05 0.42 -0.85 0.00 0.00 174.74 174.87 1d2b s ILE 96 N -1.59 0.38 -0.01 0.60 -1.09 -1.15 -2.73 121.20 115.61 1d2b s ILE 96 Ca 0.39 -1.30 -0.04 0.00 -2.23 0.00 0.00 60.65 57.47 1d2b s ILE 96 Cb -0.13 -0.84 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1d2b s ILE 96 CO 0.22 -0.61 0.09 0.42 -1.23 0.00 0.00 174.94 173.83 1d2b s THR 97 N -2.23 0.05 -1.67 2.92 -4.23 -1.26 -4.44 115.64 104.78 1d2b s THR 97 Ca -0.05 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1d2b s THR 97 Cb -0.04 -0.28 0.05 0.00 1.34 0.00 0.00 72.50 73.56 1d2b s THR 97 CO -0.03 -0.24 0.76 1.07 -0.54 0.00 0.00 174.62 175.64 1d2b n THR 98 N 2.14 0.61 -1.26 3.99 5.66 -1.20 0.03 114.28 124.26 1d2b n THR 98 Ca -0.19 0.15 -0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1d2b n THR 98 Cb 0.57 -1.12 0.22 0.00 -1.55 0.00 0.00 70.33 68.45 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s SER 100 N -2.24 3.00 -0.48 0.00 0.01 0.11 -4.76 113.70 109.33 1d2b s SER 100 Ca 0.44 -0.97 -0.28 0.00 1.31 0.00 0.00 55.95 56.45 1d2b s SER 100 Cb 0.38 -0.20 -0.01 0.00 0.21 0.00 0.00 66.02 66.40 1d2b s SER 100 CO 0.04 -0.05 1.68 0.12 0.41 0.00 0.00 173.24 175.44 1d2b s PHE 101 N -2.50 1.95 -0.27 2.43 2.19 -1.26 -4.75 117.98 115.77 1d2b s PHE 101 Ca 0.23 0.65 -0.01 0.00 0.33 0.00 0.00 56.93 58.13 1d2b s PHE 101 Cb -0.04 -4.20 0.14 0.00 -1.31 0.00 0.00 43.02 37.61 1d2b s PHE 101 CO 0.10 -2.40 0.34 0.08 1.83 0.00 0.00 175.22 175.16 1d2b s VAL 102 N 7.20 -0.51 0.35 3.12 1.01 -1.26 -0.97 120.40 129.35 1d2b s VAL 102 Ca 0.67 -0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.20 1d2b s VAL 102 Cb -0.16 -0.90 0.05 0.00 0.00 0.00 0.00 36.38 35.37 1d2b s VAL 102 CO 0.27 -0.29 0.78 0.00 0.00 0.00 0.00 175.10 175.86 1d2b s ALA 103 N 2.45 -0.90 0.02 5.51 0.00 -0.88 -5.01 121.76 122.95 1d2b s ALA 103 Ca 0.10 -0.61 -0.33 0.00 0.00 0.00 0.00 51.96 51.13 1d2b s ALA 103 Cb -0.14 0.73 -0.11 0.00 0.00 0.00 0.00 23.12 23.59 1d2b s ALA 103 CO -0.25 -1.00 1.85 -2.30 0.00 0.00 0.00 175.76 174.06 1d2b n PRO 104 N -0.51 2.46 -0.08 0.00 -0.02 -1.26 0.42 135.00 136.00 1d2b n PRO 104 Ca -0.07 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.23 1d2b n PRO 104 Cb 0.60 -2.77 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 8.94 -0.66 -0.49 6.00 -0.00 -1.76 0.28 115.95 128.25 1d2b h TRP 105 Ca -0.48 0.04 0.14 0.00 -0.00 0.00 0.00 58.89 58.60 1d2b h TRP 105 Cb 1.25 0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 30.73 1d2b h TRP 105 CO 0.84 -0.33 0.79 -0.91 -0.00 0.00 0.00 178.44 178.84 1d2b h ASN 106 N -0.22 0.00 -0.07 2.65 4.21 -1.89 1.17 115.58 121.42 1d2b h ASN 106 Ca 0.16 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.67 1d2b h ASN 106 Cb 0.47 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1d2b h ASN 106 CO -0.44 0.00 0.00 -0.24 -1.29 0.00 0.00 177.43 175.46 1d2b n SER 107 N -3.20 1.31 -4.90 5.81 2.88 0.98 -4.91 113.62 111.59 1d2b n SER 107 Ca 0.10 -1.53 -0.28 0.00 -1.33 0.00 0.00 58.87 55.83 1d2b n SER 107 Cb 0.96 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 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 -1.79 3.52 -0.15 2.46 1.02 0.40 -5.04 118.68 119.11 1d2b s LEU 108 Ca 0.36 1.02 -0.29 0.00 0.02 0.00 0.00 54.13 55.23 1d2b s LEU 108 Cb 0.19 -3.98 -0.01 0.00 0.02 0.00 0.00 46.19 42.40 1d2b s LEU 108 CO 0.30 -0.67 1.15 -0.44 0.02 0.00 0.00 176.35 176.71 1d2b s SER 109 N -4.13 7.05 0.39 2.29 0.01 -1.26 -4.74 113.70 113.31 1d2b s SER 109 Ca 0.49 1.61 0.33 0.00 1.31 0.00 0.00 55.95 59.70 1d2b s SER 109 Cb -0.10 -2.55 1.23 0.00 0.21 0.00 0.00 66.02 64.81 1d2b s SER 109 CO 0.47 -0.65 1.16 0.00 0.41 0.00 0.00 173.24 174.62 1d2b n LEU 110 N 5.98 0.05 0.07 2.44 -0.00 -1.26 0.53 117.00 124.81 1d2b n LEU 110 Ca 0.12 0.83 -0.18 0.00 -0.00 0.00 0.00 56.01 56.78 1d2b n LEU 110 Cb 0.46 -0.41 -0.14 0.00 -0.00 0.00 0.00 43.42 43.33 1d2b n LEU 110 CO 0.54 -0.85 -0.36 0.00 -0.00 0.00 0.00 177.39 176.72 1d2b h ALA 111 N 0.87 0.25 -0.01 1.47 0.00 -1.98 -2.83 119.26 117.03 1d2b h ALA 111 Ca 0.69 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1d2b h ALA 111 Cb 2.60 0.30 0.00 0.00 0.00 0.00 0.00 17.79 20.69 1d2b h ALA 111 CO -0.11 1.12 -0.07 0.94 0.00 0.00 0.00 179.25 181.13 1d2b n GLN 112 N -3.47 1.04 0.08 0.00 7.27 2.09 0.93 117.38 125.32 1d2b n GLN 112 Ca -0.17 -0.43 -0.13 0.00 0.07 0.00 0.00 57.00 56.34 1d2b n GLN 112 Cb 1.05 -1.49 -0.13 0.00 2.41 0.00 0.00 30.24 32.07 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 1.04 0.18 0.04 3.69 9.65 0.85 -3.05 114.38 126.78 1d2b h ARG 113 Ca 0.00 -0.31 -0.00 0.00 -1.10 0.00 0.00 59.98 58.57 1d2b h ARG 113 Cb 0.35 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.04 1d2b h ARG 113 CO 0.00 1.11 -0.02 -0.09 2.80 0.00 0.00 179.97 183.77 1d2b h ARG 114 N 0.05 -0.06 -0.86 0.20 1.12 -0.89 -3.18 114.38 110.76 1d2b h ARG 114 Ca -0.13 0.00 0.21 0.00 -1.11 0.00 0.00 59.98 58.96 1d2b h ARG 114 Cb 1.93 0.01 -0.15 0.00 -0.01 0.00 0.00 29.97 31.75 1d2b h ARG 114 CO 0.17 0.50 0.03 0.78 -3.11 0.00 0.00 179.97 178.34 1d2b h GLY 115 N -0.95 1.03 2.00 2.80 0.00 0.47 2.10 103.07 110.52 1d2b h GLY 115 Ca -0.01 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1d2b h GLY 115 CO 0.01 -0.37 0.00 0.74 0.00 0.00 0.00 176.54 176.92 1d2b h PHE 116 N 0.08 0.00 0.00 5.60 0.04 -1.66 2.43 116.94 123.43 1d2b h PHE 116 Ca 0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.26 1d2b h PHE 116 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1d2b h PHE 116 CO -0.45 0.00 -0.97 -2.37 -0.60 0.00 0.00 178.31 173.92 1d2b n THR 117 N -2.43 0.31 0.00 -1.55 5.66 0.60 -4.63 114.28 112.25 1d2b n THR 117 Ca 0.03 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1d2b n THR 117 Cb 0.34 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 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 -2.18 0.00 0.00 1.09 2.85 0.46 -4.99 118.16 115.38 1d2b n LYS 118 Ca 0.01 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.38 1d2b n LYS 118 Cb 0.47 -0.39 -0.11 0.00 -0.65 0.00 0.00 35.03 34.35 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1d2b n THR 119 N -1.81 0.03 -0.45 0.58 -1.04 0.76 -4.57 114.28 107.79 1d2b n THR 119 Ca 0.00 -0.22 0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1d2b n THR 119 Cb 0.02 0.50 0.33 0.00 -1.82 0.00 0.00 70.33 69.36 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 -1.85 1.11 -0.03 -1.42 4.01 0.19 -1.94 117.16 117.23 1d2b n TYR 120 Ca 0.01 -0.54 0.05 0.00 -0.16 0.00 0.00 57.90 57.26 1d2b n TYR 120 Cb 0.43 -0.08 -0.16 0.00 -0.31 0.00 0.00 39.34 39.22 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 1.41 0.36 0.00 -0.72 -2.24 -1.26 -3.14 114.28 108.68 1d2b n THR 121 Ca 0.24 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 1d2b n THR 121 Cb 0.70 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.35 0.00 -2.28 2.28 0.31 -1.26 -4.72 118.33 110.31 1d2b n VAL 122 Ca -0.11 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.12 1d2b n VAL 122 Cb 0.70 -0.23 0.05 0.00 -0.91 0.00 0.00 33.84 33.45 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 2.64 4.29 2.65 2.92 0.00 -0.82 -4.96 105.19 111.90 1d2b n GLY 123 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b s GLU 125 N 2.83 1.47 0.00 0.00 -1.05 -1.26 -4.01 118.70 116.67 1d2b s GLU 125 Ca 0.00 -2.30 0.00 0.00 -0.15 0.00 0.00 54.97 52.52 1d2b s GLU 125 Cb 0.00 -2.41 0.00 0.00 -0.44 0.00 0.00 34.13 31.28 1d2b s GLU 125 CO 0.00 -1.23 0.12 -0.85 0.95 0.00 0.00 175.26 174.25