#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 2.75 -3.35 0.00 5.66 -1.25 0.31 114.28 118.40 1d2b n THR 2 Ca 0.00 -2.06 -0.06 0.00 -3.05 0.00 0.00 64.05 58.88 1d2b n THR 2 Cb 0.00 -2.39 0.01 0.00 -1.55 0.00 0.00 70.33 66.40 1d2b n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1d2b s VAL 4 N -0.32 4.95 -0.45 0.00 0.11 -1.26 -4.58 120.40 118.85 1d2b s VAL 4 Ca 0.10 0.32 -0.42 0.00 -2.93 0.00 0.00 61.98 59.05 1d2b s VAL 4 Cb -0.01 -3.67 -0.17 0.00 -1.53 0.00 0.00 36.38 31.00 1d2b s VAL 4 CO 0.07 -0.21 2.03 -2.65 -3.33 0.00 0.00 175.10 171.01 1d2b n PRO 5 N -0.55 0.31 -3.45 1.54 -0.02 -1.26 -4.90 135.00 126.67 1d2b n PRO 5 Ca -0.00 0.09 -0.38 0.00 -2.02 0.00 0.00 63.50 61.19 1d2b n PRO 5 Cb 0.53 -1.74 -0.06 0.00 -0.02 0.00 0.00 33.50 32.21 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 5.37 4.05 -0.21 0.52 0.05 -1.26 -4.99 135.00 138.54 1d2b s PRO 6 Ca 1.14 0.41 -0.20 0.00 0.05 0.00 0.00 61.00 62.40 1d2b s PRO 6 Cb -1.34 -3.28 -0.08 0.00 0.05 0.00 0.00 34.50 29.84 1d2b s PRO 6 CO 0.65 0.54 0.69 0.72 0.05 0.00 0.00 177.00 179.65 1d2b n HIS 7 N 2.35 0.73 0.30 0.56 8.25 -1.26 -4.52 115.22 121.63 1d2b n HIS 7 Ca -0.12 0.47 0.18 0.00 -0.26 0.00 0.00 57.72 57.99 1d2b n HIS 7 Cb 0.52 -0.94 0.84 0.00 1.12 0.00 0.00 29.99 31.52 1d2b n HIS 7 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1d2b h PRO 8 N 2.22 0.00 0.00 -0.41 0.13 -1.94 0.97 132.00 132.96 1d2b h PRO 8 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.86 1d2b h PRO 8 Cb 0.58 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1d2b h PRO 8 CO 0.42 0.00 -0.45 -0.56 -0.23 0.00 0.00 178.00 177.18 1d2b h GLN 9 N 0.00 0.00 0.07 0.86 3.07 -1.75 0.79 115.11 118.15 1d2b h GLN 9 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 58.65 58.39 1d2b h GLN 9 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 1d2b h GLN 9 CO 0.00 0.45 -1.99 2.41 0.09 0.00 0.00 178.83 179.79 1d2b n THR 10 N -3.85 1.66 -0.30 1.86 -1.04 0.09 -3.71 114.28 108.97 1d2b n THR 10 Ca -0.01 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.05 61.46 1d2b n THR 10 Cb 0.49 -1.75 0.07 0.00 -1.82 0.00 0.00 70.33 67.32 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 -0.15 1.05 0.58 2.41 0.00 0.10 0.45 119.26 123.70 1d2b h ALA 11 Ca -0.46 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1d2b h ALA 11 Cb 1.83 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 19.29 1d2b h ALA 11 CO -0.05 0.57 -0.28 0.35 0.00 0.00 0.00 179.25 179.84 1d2b h PHE 12 N 1.14 -0.72 0.00 0.00 3.57 0.41 -2.76 116.94 118.58 1d2b h PHE 12 Ca 0.29 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1d2b h PHE 12 Cb 0.04 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1d2b h PHE 12 CO 0.01 -0.45 0.00 0.00 -2.23 0.00 0.00 178.31 175.64 1d2b n ASN 14 N -2.89 0.63 -4.80 0.00 3.02 0.16 -4.91 115.26 106.47 1d2b n ASN 14 Ca 0.00 0.29 -0.34 0.00 -0.03 0.00 0.00 54.58 54.50 1d2b n ASN 14 Cb 0.25 0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 39.69 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 -5.80 6.68 0.00 6.41 0.15 -1.04 -4.97 113.70 115.13 1d2b s SER 15 Ca -0.05 1.86 0.23 0.00 0.70 0.00 0.00 55.95 58.68 1d2b s SER 15 Cb 0.08 -2.56 0.50 0.00 -1.71 0.00 0.00 66.02 62.33 1d2b s SER 15 CO 0.83 -0.54 1.45 0.47 1.20 0.00 0.00 173.24 176.64 1d2b n ASP 16 N -0.60 3.65 -3.58 5.45 9.92 -1.26 -4.88 116.55 125.24 1d2b n ASP 16 Ca 0.07 -1.99 -0.02 0.00 -0.53 0.00 0.00 54.79 52.32 1d2b n ASP 16 Cb 0.52 -0.34 -0.05 0.00 -0.64 0.00 0.00 41.12 40.61 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 -1.29 -0.76 -0.02 0.64 1.02 0.27 -4.40 118.68 114.14 1d2b s LEU 17 Ca 0.42 1.13 0.00 0.00 0.02 0.00 0.00 54.13 55.70 1d2b s LEU 17 Cb 0.24 1.99 0.02 0.00 0.02 0.00 0.00 46.19 48.46 1d2b s LEU 17 CO 0.32 -0.17 0.02 -0.69 0.02 0.00 0.00 176.35 175.85 1d2b s VAL 18 N 2.04 0.02 0.00 -1.59 1.01 0.17 0.22 120.40 122.28 1d2b s VAL 18 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1d2b s VAL 18 Cb -0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 1d2b s VAL 18 CO -0.18 0.09 0.00 2.30 0.00 0.00 0.00 175.10 177.32 1d2b n ILE 19 N 3.96 0.00 -3.88 2.22 -5.35 -0.28 0.32 119.36 116.36 1d2b n ILE 19 Ca -0.25 -0.01 -0.25 0.00 -0.27 0.00 0.00 62.75 61.97 1d2b n ILE 19 Cb 0.52 0.01 -0.17 0.00 -1.74 0.00 0.00 39.64 38.25 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 -2.01 1.20 0.21 6.28 1.04 0.21 -1.11 118.95 124.77 1d2b s ARG 20 Ca 0.00 -0.13 -0.18 0.00 -1.04 0.00 0.00 55.73 54.38 1d2b s ARG 20 Cb 0.00 -1.36 0.03 0.00 -2.04 0.00 0.00 34.95 31.58 1d2b s ARG 20 CO 0.00 -0.27 0.56 0.00 -0.04 0.00 0.00 175.30 175.55 1d2b s ALA 21 N 1.77 -0.96 0.12 7.88 0.00 0.32 -0.69 121.76 130.20 1d2b s ALA 21 Ca 0.04 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.78 1d2b s ALA 21 Cb -0.13 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1d2b s ALA 21 CO -0.07 -0.85 0.14 0.15 0.00 0.00 0.00 175.76 175.14 1d2b s LYS 22 N -3.89 3.03 -0.27 0.00 1.02 -0.01 0.21 119.74 119.83 1d2b s LYS 22 Ca 0.10 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.27 1d2b s LYS 22 Cb -0.02 -2.77 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1d2b s LYS 22 CO -0.01 0.53 0.18 -0.06 -0.92 0.00 0.00 175.35 175.08 1d2b s PHE 23 N -1.59 3.22 0.00 3.18 0.40 -1.26 0.39 117.98 122.33 1d2b s PHE 23 Ca 0.31 0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.74 1d2b s PHE 23 Cb -0.11 -2.36 0.00 0.00 0.51 0.00 0.00 43.02 41.06 1d2b s PHE 23 CO 0.24 -0.15 0.00 1.33 0.70 0.00 0.00 175.22 177.34 1d2b n VAL 24 N 4.97 0.00 -0.35 -0.44 0.24 -0.65 -3.86 118.33 118.25 1d2b n VAL 24 Ca -0.14 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.92 1d2b n VAL 24 Cb 0.52 -0.38 0.23 0.00 -1.47 0.00 0.00 33.84 32.74 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 3.73 -3.27 3.87 7.63 0.00 -0.89 -4.89 105.19 111.37 1d2b n GLY 25 Ca 0.00 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 1d2b n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1d2b s THR 26 N -2.09 4.95 0.14 2.61 -1.32 -1.26 -4.06 115.64 114.62 1d2b s THR 26 Ca 0.52 -0.81 -0.25 0.00 -1.21 0.00 0.00 61.69 59.94 1d2b s THR 26 Cb -0.09 -3.51 -0.07 0.00 -1.51 0.00 0.00 72.50 67.31 1d2b s THR 26 CO 0.44 -0.05 0.77 -2.16 -2.21 0.00 0.00 174.62 171.41 1d2b s PRO 27 N -3.03 4.55 -0.29 7.08 0.04 -1.26 -4.26 135.00 137.82 1d2b s PRO 27 Ca 0.33 1.14 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 1d2b s PRO 27 Cb -0.11 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1d2b s PRO 27 CO 0.26 0.52 0.85 -1.21 0.04 0.00 0.00 177.00 177.45 1d2b s GLU 28 N -0.94 4.03 0.03 4.56 2.02 -0.93 -4.83 118.70 122.64 1d2b s GLU 28 Ca 0.36 0.75 0.01 0.00 0.02 0.00 0.00 54.97 56.12 1d2b s GLU 28 Cb -0.23 -3.71 -0.04 0.00 0.10 0.00 0.00 34.13 30.26 1d2b s GLU 28 CO 0.26 -0.68 0.08 0.08 0.02 0.00 0.00 175.26 175.02 1d2b s VAL 29 N 3.04 4.66 0.15 2.63 1.01 -1.26 -3.23 120.40 127.40 1d2b s VAL 29 Ca 0.35 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1d2b s VAL 29 Cb -0.14 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 1d2b s VAL 29 CO 0.12 0.26 0.22 0.21 0.00 0.00 0.00 175.10 175.90 1d2b s ASN 30 N -2.00 0.12 0.03 3.32 2.47 -1.26 -4.98 114.94 112.64 1d2b s ASN 30 Ca 0.26 -0.95 0.25 0.00 0.42 0.00 0.00 52.86 52.84 1d2b s ASN 30 Cb -0.12 0.39 0.47 0.00 -1.45 0.00 0.00 41.25 40.54 1d2b s ASN 30 CO 0.17 -0.84 1.39 0.00 -3.72 0.00 0.00 177.10 174.10 1d2b n GLN 31 N -0.17 0.09 0.00 0.43 1.13 -1.26 -4.17 117.38 113.43 1d2b n GLN 31 Ca -0.07 0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1d2b n GLN 31 Cb 0.63 -1.55 0.00 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 -1.68 0.35 -0.04 5.09 -1.04 -1.26 -4.78 114.28 110.92 1d2b n THR 32 Ca 0.05 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.05 61.51 1d2b n THR 32 Cb 0.37 0.93 -0.13 0.00 -1.82 0.00 0.00 70.33 69.67 1d2b n THR 32 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 1d2b h THR 33 N 1.52 1.71 0.00 12.58 1.35 -1.89 -3.46 112.91 124.72 1d2b h THR 33 Ca 0.00 -2.39 0.00 0.00 -0.55 0.00 0.00 66.41 63.47 1d2b h THR 33 Cb 0.70 3.33 0.00 0.00 -1.73 0.00 0.00 68.15 70.45 1d2b h THR 33 CO 0.00 0.63 0.00 0.18 -0.25 0.00 0.00 175.52 176.08 1d2b n LEU 34 N -4.49 0.00 -3.96 3.87 4.77 -1.26 -4.86 117.00 111.08 1d2b n LEU 34 Ca -0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.78 1d2b n LEU 34 Cb 0.57 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1d2b n LEU 34 CO 0.37 0.00 -0.13 -0.72 -1.33 0.00 0.00 177.39 175.58 1d2b s TYR 35 N -1.81 0.37 0.25 -1.77 1.13 -1.26 1.02 117.35 115.28 1d2b s TYR 35 Ca 0.00 -0.79 0.07 0.00 -1.41 0.00 0.00 57.07 54.94 1d2b s TYR 35 Cb 0.00 -0.16 -0.05 0.00 -1.10 0.00 0.00 41.96 40.65 1d2b s TYR 35 CO 0.00 -0.57 -0.08 -0.65 -2.51 0.00 0.00 175.55 171.74 1d2b s GLN 36 N -3.93 1.46 -0.12 -3.49 -0.21 0.65 -4.39 119.66 109.63 1d2b s GLN 36 Ca 0.11 -1.71 -0.02 0.00 0.02 0.00 0.00 55.36 53.76 1d2b s GLN 36 Cb 0.05 -1.10 0.04 0.00 1.00 0.00 0.00 33.01 33.00 1d2b s GLN 36 CO -0.06 0.07 0.03 -0.98 -2.12 0.00 0.00 175.29 172.24 1d2b s ARG 37 N -3.71 0.48 0.17 2.91 1.70 -1.20 -1.75 118.95 117.56 1d2b s ARG 37 Ca 0.27 -0.07 -0.07 0.00 -0.47 0.00 0.00 55.73 55.40 1d2b s ARG 37 Cb 0.02 -1.42 -0.06 0.00 -0.57 0.00 0.00 34.95 32.92 1d2b s ARG 37 CO 0.10 -0.47 0.44 0.71 -1.08 0.00 0.00 175.30 175.00 1d2b s TYR 38 N 1.98 3.46 -0.15 5.89 1.51 -0.61 -2.19 117.35 127.24 1d2b s TYR 38 Ca 0.03 0.68 -0.08 0.00 -1.01 0.00 0.00 57.07 56.69 1d2b s TYR 38 Cb -0.14 -2.10 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1d2b s TYR 38 CO -0.06 0.37 0.12 -1.21 -1.11 0.00 0.00 175.55 173.66 1d2b s GLU 39 N -2.70 3.71 -0.02 -0.62 2.02 -1.26 -0.82 118.70 119.00 1d2b s GLU 39 Ca 0.43 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.23 1d2b s GLU 39 Cb -0.12 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1d2b s GLU 39 CO 0.23 0.56 -0.05 0.96 0.02 0.00 0.00 175.26 176.98 1d2b s ILE 40 N -0.40 0.49 -1.14 -1.63 -4.36 0.02 -1.63 121.20 112.54 1d2b s ILE 40 Ca 0.11 -0.18 -0.22 0.00 -0.26 0.00 0.00 60.65 60.10 1d2b s ILE 40 Cb -0.12 -0.47 -0.04 0.00 1.25 0.00 0.00 42.46 43.08 1d2b s ILE 40 CO 0.01 0.18 1.87 -0.75 0.24 0.00 0.00 174.94 176.50 1d2b s LYS 41 N 0.41 2.84 -0.01 0.37 2.36 1.26 -4.68 119.74 122.30 1d2b s LYS 41 Ca -0.05 -1.16 -0.34 0.00 -2.55 0.00 0.00 55.97 51.87 1d2b s LYS 41 Cb -0.09 -5.27 -0.12 0.00 -1.05 0.00 0.00 37.83 31.30 1d2b s LYS 41 CO -0.00 -3.46 1.78 -0.12 1.55 0.00 0.00 175.35 175.10 1d2b n MET 42 N 8.44 2.15 -0.04 4.03 0.00 -1.26 -0.83 117.12 129.61 1d2b n MET 42 Ca 0.44 0.79 -0.03 0.00 -0.00 0.00 0.00 57.70 58.89 1d2b n MET 42 Cb 0.47 -2.60 -0.01 0.00 0.00 0.00 0.00 33.22 31.07 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 4.56 0.81 -3.76 1.12 -1.04 -0.40 -4.89 114.28 110.67 1d2b n THR 43 Ca 0.21 0.33 -0.13 0.00 -2.04 0.00 0.00 64.05 62.42 1d2b n THR 43 Cb 0.29 -2.00 -0.10 0.00 -1.82 0.00 0.00 70.33 66.70 1d2b n THR 43 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1d2b s LYS 44 N -1.79 0.45 -0.04 -2.82 2.20 0.14 -5.01 119.74 112.86 1d2b s LYS 44 Ca -0.10 0.28 -0.17 0.00 -0.36 0.00 0.00 55.97 55.62 1d2b s LYS 44 Cb 0.01 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.50 1d2b s LYS 44 CO 0.15 -0.08 0.46 0.00 -0.36 0.00 0.00 175.35 175.52 1d2b s MET 45 N -0.22 4.15 -0.22 4.03 0.23 -1.26 0.65 119.30 126.65 1d2b s MET 45 Ca -0.04 0.47 -0.00 0.00 -1.03 0.00 0.00 55.69 55.09 1d2b s MET 45 Cb -0.03 -3.32 -0.14 0.00 -1.53 0.00 0.00 34.83 29.81 1d2b s MET 45 CO 0.01 0.44 -0.21 0.66 -2.03 0.00 0.00 175.02 173.90 1d2b n TYR 46 N 2.65 0.00 -4.04 3.16 4.02 0.29 -4.90 117.16 118.35 1d2b n TYR 46 Ca -0.10 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.56 1d2b n TYR 46 Cb 0.52 -0.83 -0.17 0.00 -0.02 0.00 0.00 39.34 38.84 1d2b n TYR 46 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1d2b s LYS 47 N -2.43 0.95 0.00 -0.72 2.36 0.95 -4.85 119.74 116.01 1d2b s LYS 47 Ca -0.30 -0.09 0.00 0.00 -2.55 0.00 0.00 55.97 53.03 1d2b s LYS 47 Cb 0.08 -1.05 0.00 0.00 -1.05 0.00 0.00 37.83 35.81 1d2b s LYS 47 CO 0.49 -0.17 0.00 0.41 1.55 0.00 0.00 175.35 177.63 1d2b n GLY 48 N 4.51 -0.13 0.36 5.54 0.00 -1.26 0.47 105.19 114.67 1d2b n GLY 48 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.95 -0.22 1.61 0.04 -1.92 2.02 116.94 117.51 1d2b h PHE 49 Ca 0.00 0.09 0.06 0.00 2.80 0.00 0.00 57.97 60.92 1d2b h PHE 49 Cb 0.00 0.53 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 1d2b h PHE 49 CO 0.00 -0.39 0.30 -0.56 -0.60 0.00 0.00 178.31 177.06 1d2b h GLN 50 N -0.08 0.00 0.00 1.51 -0.00 -1.96 0.70 115.11 115.28 1d2b h GLN 50 Ca 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.95 1d2b h GLN 50 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.06 1d2b h GLN 50 CO -0.83 0.00 -0.85 0.00 -0.00 0.00 0.00 178.83 177.15 1d2b n ALA 51 N -2.25 4.35 -0.65 0.06 0.00 0.62 -4.77 120.51 117.87 1d2b n ALA 51 Ca 0.03 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 1d2b n ALA 51 Cb 0.42 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 1d2b n ALA 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1d2b n LEU 52 N -1.51 1.43 0.06 0.00 -0.00 0.25 -4.68 117.00 112.54 1d2b n LEU 52 Ca 0.04 -1.74 -0.10 0.00 -0.00 0.00 0.00 56.01 54.22 1d2b n LEU 52 Cb 0.33 -0.65 -0.06 0.00 -0.00 0.00 0.00 43.42 43.04 1d2b n LEU 52 CO 0.40 -1.88 0.51 1.23 -0.00 0.00 0.00 177.39 177.65 1d2b h GLY 53 N 17.71 -1.20 0.00 1.47 0.00 -1.86 -3.41 103.07 115.78 1d2b h GLY 53 Ca 0.27 0.60 0.00 0.00 0.00 0.00 0.00 47.33 48.20 1d2b h GLY 53 CO 1.98 -0.35 0.00 1.22 0.00 0.00 0.00 176.54 179.39 1d2b n ASP 54 N -4.21 0.00 0.00 0.19 8.00 -1.26 -5.04 116.55 114.24 1d2b n ASP 54 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.45 1d2b n ASP 54 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 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 -1.48 0.95 -3.84 2.24 0.00 -1.26 -5.01 120.51 112.11 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 3.90 -1.19 0.00 0.00 -1.26 -4.90 121.76 117.31 1d2b s ALA 56 Ca 0.00 -3.82 0.08 0.00 0.00 0.00 0.00 51.96 48.22 1d2b s ALA 56 Cb 0.00 -2.32 0.35 0.00 0.00 0.00 0.00 23.12 21.15 1d2b s ALA 56 CO 0.00 -2.11 1.15 -3.47 0.00 0.00 0.00 175.76 171.34 1d2b n ASP 57 N 2.10 2.67 -3.14 0.00 2.03 -1.26 -4.54 116.55 114.41 1d2b n ASP 57 Ca 0.19 -2.26 -0.17 0.00 0.52 0.00 0.00 54.79 53.08 1d2b n ASP 57 Cb 0.35 -0.44 -0.05 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.71 -0.28 -0.14 5.18 1.01 -1.26 -4.75 121.20 119.25 1d2b s ILE 58 Ca 0.25 -1.79 0.01 0.00 0.00 0.00 0.00 60.65 59.12 1d2b s ILE 58 Cb 0.16 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.96 1d2b s ILE 58 CO 0.11 -0.67 0.53 0.54 0.00 0.00 0.00 174.94 175.45 1d2b n ARG 59 N 3.05 -0.81 -3.76 2.79 1.74 -1.26 -4.74 116.66 113.67 1d2b n ARG 59 Ca 0.23 -0.56 -0.13 0.00 -0.77 0.00 0.00 57.85 56.62 1d2b n ARG 59 Cb 0.51 -1.02 -0.09 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 -0.10 -0.21 -0.14 -1.55 0.40 -1.26 -0.80 117.98 114.32 1d2b s PHE 60 Ca 0.01 0.37 0.00 0.00 -0.60 0.00 0.00 56.93 56.72 1d2b s PHE 60 Cb 0.01 0.10 -0.01 0.00 0.51 0.00 0.00 43.02 43.63 1d2b s PHE 60 CO 0.01 -0.34 -0.15 0.14 0.70 0.00 0.00 175.22 175.58 1d2b s VAL 61 N -1.03 2.72 -0.37 -0.44 -7.23 -0.00 -3.67 120.40 110.38 1d2b s VAL 61 Ca -0.11 -0.76 -0.06 0.00 -1.81 0.00 0.00 61.98 59.24 1d2b s VAL 61 Cb -0.05 -2.14 0.06 0.00 0.56 0.00 0.00 36.38 34.81 1d2b s VAL 61 CO 0.03 0.52 0.14 -0.31 -0.31 0.00 0.00 175.10 175.18 1d2b s TYR 62 N 0.66 3.34 0.07 2.82 1.51 0.28 -1.57 117.35 124.47 1d2b s TYR 62 Ca -0.08 -1.70 0.06 0.00 -1.01 0.00 0.00 57.07 54.34 1d2b s TYR 62 Cb -0.16 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.06 1d2b s TYR 62 CO 0.02 -0.82 -0.11 -0.08 -1.11 0.00 0.00 175.55 173.46 1d2b s THR 63 N 1.34 3.31 0.53 -0.71 -1.32 -0.71 -2.88 115.64 115.20 1d2b s THR 63 Ca 0.01 -1.17 -0.21 0.00 -1.21 0.00 0.00 61.69 59.11 1d2b s THR 63 Cb -0.21 -2.50 -0.05 0.00 -1.51 0.00 0.00 72.50 68.22 1d2b s THR 63 CO 0.01 0.20 1.25 -2.84 -2.21 0.00 0.00 174.62 171.03 1d2b s PRO 64 N -1.93 3.28 -0.47 7.08 0.02 -1.26 0.24 135.00 141.96 1d2b s PRO 64 Ca 0.19 1.95 0.04 0.00 0.02 0.00 0.00 61.00 63.21 1d2b s PRO 64 Cb -0.11 -2.20 0.42 0.00 0.02 0.00 0.00 34.50 32.63 1d2b s PRO 64 CO 0.11 -0.99 1.27 0.00 -0.33 0.00 0.00 177.00 177.06 1d2b n ALA 65 N -1.04 5.29 -2.13 -1.55 0.00 6.95 -2.40 120.51 125.62 1d2b n ALA 65 Ca 0.10 -4.18 -0.19 0.00 0.00 0.00 0.00 53.44 49.17 1d2b n ALA 65 Cb 0.47 -0.72 -0.01 0.00 0.00 0.00 0.00 19.45 19.19 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 -3.63 2.63 0.03 0.00 -1.94 -1.03 -4.10 119.30 111.28 1d2b s MET 66 Ca 0.50 -1.44 -0.26 0.00 -1.71 0.00 0.00 55.69 52.78 1d2b s MET 66 Cb 0.41 -2.53 -0.15 0.00 2.01 0.00 0.00 34.83 34.57 1d2b s MET 66 CO -0.17 -0.26 1.28 0.93 -0.01 0.00 0.00 175.02 176.79 1d2b h GLU 67 N 0.84 -0.91 -3.10 2.03 3.07 -1.96 -3.34 114.58 111.19 1d2b h GLU 67 Ca -0.40 0.06 -0.77 0.00 -0.50 0.00 0.00 59.36 57.75 1d2b h GLU 67 Cb 1.27 0.21 -0.31 0.00 -0.84 0.00 0.00 28.75 29.09 1d2b h GLU 67 CO 0.52 -0.61 0.41 0.43 -1.40 0.00 0.00 179.01 178.36 1d2b n SER 68 N -4.80 5.54 0.00 1.42 7.64 -1.26 -4.94 113.62 117.22 1d2b n SER 68 Ca -0.12 -3.26 0.00 0.00 1.01 0.00 0.00 58.87 56.50 1d2b n SER 68 Cb 0.37 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 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 1.84 0.00 -0.05 0.44 3.14 -1.26 -4.96 118.33 117.48 1d2b n VAL 69 Ca 0.25 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.59 1d2b n VAL 69 Cb 0.36 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.13 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 1.60 -1.12 3.56 0.00 0.00 -1.01 -4.70 105.19 103.52 1d2b n GLY 71 Ca -0.06 0.44 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.94 1.71 -0.53 1.61 5.04 -1.26 -4.89 117.35 116.10 1d2b s TYR 72 Ca 0.02 0.75 -0.23 0.00 -2.44 0.00 0.00 57.07 55.17 1d2b s TYR 72 Cb -0.01 -4.04 0.04 0.00 0.35 0.00 0.00 41.96 38.31 1d2b s TYR 72 CO 0.64 -2.00 0.87 -0.06 -1.34 0.00 0.00 175.55 173.67 1d2b s PHE 73 N 9.81 2.87 -0.16 4.97 0.40 -1.26 -4.97 117.98 129.65 1d2b s PHE 73 Ca 0.70 -0.06 -0.13 0.00 -0.60 0.00 0.00 56.93 56.84 1d2b s PHE 73 Cb -0.10 -3.93 -0.05 0.00 0.51 0.00 0.00 43.02 39.46 1d2b s PHE 73 CO 0.09 -1.24 0.26 -1.58 0.70 0.00 0.00 175.22 173.45 1d2b s HIS 74 N 3.64 3.47 -0.51 0.36 5.65 -1.26 -5.02 115.29 121.62 1d2b s HIS 74 Ca 0.28 0.57 0.05 0.00 0.25 0.00 0.00 55.06 56.21 1d2b s HIS 74 Cb -0.13 -2.29 0.20 0.00 -1.18 0.00 0.00 32.58 29.18 1d2b s HIS 74 CO 0.19 0.29 0.47 0.54 -0.65 0.00 0.00 174.74 175.58 1d2b n ARG 75 N 3.40 0.99 -3.12 2.88 5.12 -1.26 -4.97 116.66 119.70 1d2b n ARG 75 Ca -0.13 -3.69 -0.17 0.00 -1.93 0.00 0.00 57.85 51.93 1d2b n ARG 75 Cb 0.52 -1.79 -0.05 0.00 -1.16 0.00 0.00 32.46 29.98 1d2b n ARG 75 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1d2b n SER 76 N 2.06 -1.69 0.00 0.55 7.64 -1.26 -4.99 113.62 115.93 1d2b n SER 76 Ca 0.26 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.50 1d2b n SER 76 Cb 0.45 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1d2b n SER 76 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1d2b n HIS 77 N 2.76 0.00 -1.71 1.43 -0.00 -1.26 -4.64 115.22 111.80 1d2b n HIS 77 Ca 0.24 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 58.02 1d2b n HIS 77 Cb 0.52 -0.43 -0.03 0.00 -0.12 0.00 0.00 29.99 29.93 1d2b n HIS 77 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1d2b s ASN 78 N -2.86 5.13 0.31 0.26 3.04 -1.26 -4.81 114.94 114.75 1d2b s ASN 78 Ca 0.00 1.29 0.24 0.00 0.04 0.00 0.00 52.86 54.43 1d2b s ASN 78 Cb 0.00 -2.51 0.47 0.00 -1.54 0.00 0.00 41.25 37.67 1d2b s ASN 78 CO 0.00 -2.31 1.60 0.08 -3.04 0.00 0.00 177.10 173.42 1d2b h ARG 79 N 16.35 0.00 -0.01 0.43 0.11 -1.82 -3.25 114.38 126.18 1d2b h ARG 79 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1d2b h ARG 79 Cb 1.23 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.31 1d2b h ARG 79 CO 1.08 0.00 -0.34 -1.13 0.10 0.00 0.00 179.97 179.67 1d2b n SER 80 N -2.69 1.61 -4.65 0.08 3.41 -1.26 -4.64 113.62 105.48 1d2b n SER 80 Ca 0.04 -1.31 -0.42 0.00 -0.26 0.00 0.00 58.87 56.93 1d2b n SER 80 Cb 0.49 0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.88 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 -1.92 4.20 0.31 4.33 2.56 -1.23 -5.01 118.70 121.94 1d2b s GLU 81 Ca 0.13 0.98 -0.29 0.00 0.00 0.00 0.00 54.97 55.79 1d2b s GLU 81 Cb 0.13 -3.64 -0.10 0.00 2.00 0.00 0.00 34.13 32.53 1d2b s GLU 81 CO 0.41 -0.50 1.14 -1.21 -0.56 0.00 0.00 175.26 174.54 1d2b s GLU 82 N 2.77 4.52 0.43 4.30 2.02 -1.26 -4.32 118.70 127.15 1d2b s GLU 82 Ca 0.36 1.87 0.03 0.00 0.02 0.00 0.00 54.97 57.25 1d2b s GLU 82 Cb -0.15 -3.09 -0.03 0.00 0.10 0.00 0.00 34.13 30.96 1d2b s GLU 82 CO 0.08 0.08 0.08 -0.06 0.02 0.00 0.00 175.26 175.45 1d2b s PHE 83 N -1.20 1.86 -0.08 1.61 0.40 0.58 -3.53 117.98 117.62 1d2b s PHE 83 Ca 0.47 -1.13 0.03 0.00 -0.60 0.00 0.00 56.93 55.70 1d2b s PHE 83 Cb -0.33 -1.34 0.01 0.00 0.51 0.00 0.00 43.02 41.87 1d2b s PHE 83 CO 0.42 -0.07 -0.16 -1.17 0.70 0.00 0.00 175.22 174.94 1d2b s LEU 84 N -3.68 1.79 -0.27 -0.37 2.96 0.76 0.12 118.68 119.98 1d2b s LEU 84 Ca 0.20 -0.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.74 1d2b s LEU 84 Cb 0.03 -1.02 0.08 0.00 0.50 0.00 0.00 46.19 45.78 1d2b s LEU 84 CO 0.11 0.08 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.58 1d2b s ILE 85 N 0.55 1.66 -0.29 6.68 1.01 -0.27 -2.26 121.20 128.29 1d2b s ILE 85 Ca -0.16 -1.55 -0.17 0.00 0.00 0.00 0.00 60.65 58.78 1d2b s ILE 85 Cb -0.16 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1d2b s ILE 85 CO 0.05 -0.30 0.45 0.00 0.00 0.00 0.00 174.94 175.14 1d2b s ALA 86 N 1.29 3.55 -0.26 9.38 0.00 -0.72 -1.12 121.76 133.87 1d2b s ALA 86 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 1d2b s ALA 86 Cb -0.19 -2.84 0.17 0.00 0.00 0.00 0.00 23.12 20.27 1d2b s ALA 86 CO -0.09 -0.82 1.27 0.20 0.00 0.00 0.00 175.76 176.32 1d2b s GLY 87 N 1.64 0.06 0.85 0.00 0.00 0.61 -4.44 107.32 106.04 1d2b s GLY 87 Ca 0.18 2.83 -0.13 0.00 0.00 0.00 0.00 44.72 47.60 1d2b s GLY 87 CO 0.10 1.38 1.22 1.25 0.00 0.00 0.00 173.10 177.05 1d2b s LYS 88 N -0.64 1.63 -0.12 2.90 2.20 -1.19 0.95 119.74 125.47 1d2b s LYS 88 Ca 0.06 -0.02 0.02 0.00 -0.36 0.00 0.00 55.97 55.67 1d2b s LYS 88 Cb -0.02 -1.92 -0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1d2b s LYS 88 CO -0.08 -1.80 -0.19 -0.51 -0.36 0.00 0.00 175.35 172.41 1d2b s LEU 89 N -5.66 2.33 -0.38 5.43 1.43 -1.26 -0.88 118.68 119.69 1d2b s LEU 89 Ca 0.65 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 1d2b s LEU 89 Cb -0.09 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.64 1d2b s LEU 89 CO 0.50 0.13 0.37 -1.58 0.23 0.00 0.00 176.35 176.01 1d2b s GLN 90 N 0.51 3.31 0.00 1.70 2.00 0.53 -4.52 119.66 123.20 1d2b s GLN 90 Ca -0.12 -0.64 0.00 0.00 -2.00 0.00 0.00 55.36 52.60 1d2b s GLN 90 Cb -0.17 -3.89 0.00 0.00 0.80 0.00 0.00 33.01 29.76 1d2b s GLN 90 CO 0.05 -0.67 0.00 -0.25 -0.50 0.00 0.00 175.29 173.92 1d2b n ASP 91 N 5.41 -0.80 0.00 6.67 9.92 -1.26 0.41 116.55 136.90 1d2b n ASP 91 Ca -0.09 0.40 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1d2b n ASP 91 Cb 0.48 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 40.10 1d2b n ASP 91 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2b n GLY 92 N -0.40 3.27 3.75 0.44 0.00 -1.26 -5.09 105.19 105.89 1d2b n GLY 92 Ca 0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 4.50 0.61 0.99 2.01 0.17 -4.80 118.68 122.15 1d2b s LEU 93 Ca 0.00 2.28 -0.16 0.00 0.01 0.00 0.00 54.13 56.27 1d2b s LEU 93 Cb 0.00 -3.62 -0.03 0.00 0.01 0.00 0.00 46.19 42.55 1d2b s LEU 93 CO 0.00 -0.27 1.07 -0.22 1.01 0.00 0.00 176.35 177.94 1d2b s LEU 94 N -0.92 3.48 -0.01 1.79 2.96 -1.24 0.20 118.68 124.93 1d2b s LEU 94 Ca 0.49 1.87 0.02 0.00 -0.22 0.00 0.00 54.13 56.28 1d2b s LEU 94 Cb -0.33 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 41.82 1d2b s LEU 94 CO 0.40 -1.29 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.09 1d2b s HIS 95 N -2.41 0.50 0.05 5.38 3.76 -0.06 1.00 115.29 123.51 1d2b s HIS 95 Ca 0.65 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.46 1d2b s HIS 95 Cb -0.17 -0.36 -0.03 0.00 1.11 0.00 0.00 32.58 33.13 1d2b s HIS 95 CO 0.38 -0.04 -0.05 0.96 -0.85 0.00 0.00 174.74 175.15 1d2b s ILE 96 N 0.07 0.32 -0.00 0.60 -0.00 -1.14 -3.15 121.20 117.89 1d2b s ILE 96 Ca -0.00 -1.37 -0.02 0.00 -0.00 0.00 0.00 60.65 59.26 1d2b s ILE 96 Cb -0.04 -0.92 -0.00 0.00 -0.00 0.00 0.00 42.46 41.49 1d2b s ILE 96 CO -0.00 -0.68 0.04 0.42 -0.00 0.00 0.00 174.94 174.71 1d2b s THR 97 N -2.50 0.05 -1.17 8.37 -4.23 -1.26 -4.34 115.64 110.55 1d2b s THR 97 Ca -0.04 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1d2b s THR 97 Cb -0.02 -0.19 0.00 0.00 1.34 0.00 0.00 72.50 73.63 1d2b s THR 97 CO -0.04 -0.21 0.80 1.07 -0.54 0.00 0.00 174.62 175.70 1d2b n THR 98 N 2.37 1.25 -1.45 3.99 5.66 -1.25 0.87 114.28 125.72 1d2b n THR 98 Ca -0.17 0.35 -0.02 0.00 -3.05 0.00 0.00 64.05 61.15 1d2b n THR 98 Cb 0.58 -1.35 0.20 0.00 -1.55 0.00 0.00 70.33 68.21 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 -2.63 2.87 -0.48 0.00 0.01 0.25 -4.72 113.70 109.00 1d2b s SER 100 Ca 0.43 -1.00 -0.28 0.00 1.31 0.00 0.00 55.95 56.42 1d2b s SER 100 Cb 0.40 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1d2b s SER 100 CO -0.01 -0.09 1.55 0.12 0.41 0.00 0.00 173.24 175.22 1d2b s PHE 101 N -2.70 2.14 -0.27 2.43 2.19 -1.26 -4.77 117.98 115.74 1d2b s PHE 101 Ca 0.23 0.60 -0.01 0.00 0.33 0.00 0.00 56.93 58.09 1d2b s PHE 101 Cb -0.03 -4.28 0.13 0.00 -1.31 0.00 0.00 43.02 37.54 1d2b s PHE 101 CO 0.09 -2.22 0.29 0.08 1.83 0.00 0.00 175.22 175.30 1d2b s VAL 102 N 6.45 -0.41 0.26 3.12 1.01 -1.26 -1.76 120.40 127.81 1d2b s VAL 102 Ca 0.62 -0.39 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1d2b s VAL 102 Cb -0.14 -0.92 0.04 0.00 0.00 0.00 0.00 36.38 35.36 1d2b s VAL 102 CO 0.28 -0.39 0.82 0.00 0.00 0.00 0.00 175.10 175.81 1d2b s ALA 103 N 2.38 -1.26 0.05 5.51 0.00 -0.96 -5.02 121.76 122.45 1d2b s ALA 103 Ca 0.09 -0.29 -0.33 0.00 0.00 0.00 0.00 51.96 51.43 1d2b s ALA 103 Cb -0.14 0.75 -0.12 0.00 0.00 0.00 0.00 23.12 23.61 1d2b s ALA 103 CO -0.28 -1.03 1.76 -2.30 0.00 0.00 0.00 175.76 173.91 1d2b n PRO 104 N -0.50 2.31 -0.08 0.00 -0.02 -1.26 -0.17 135.00 135.28 1d2b n PRO 104 Ca -0.05 0.84 -0.07 0.00 -2.02 0.00 0.00 63.50 62.20 1d2b n PRO 104 Cb 0.60 -2.67 -0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 7.90 -0.39 0.00 6.00 -0.00 -1.72 0.86 115.95 128.60 1d2b h TRP 105 Ca -0.47 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.46 1d2b h TRP 105 Cb 1.25 0.22 0.00 0.00 -0.00 0.00 0.00 29.16 30.63 1d2b h TRP 105 CO 0.77 -0.23 0.00 0.09 -0.00 0.00 0.00 178.44 179.07 1d2b n ASN 106 N -5.33 0.00 -0.00 2.65 4.13 -1.25 0.30 115.26 115.76 1d2b n ASN 106 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1d2b n ASN 106 Cb 0.24 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 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 -0.02 0.60 -4.34 6.41 7.64 0.30 -5.05 113.62 119.17 1d2b n SER 107 Ca 0.00 -0.80 -0.27 0.00 1.01 0.00 0.00 58.87 58.81 1d2b n SER 107 Cb 0.00 0.40 0.16 0.00 -1.01 0.00 0.00 64.21 63.75 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 -0.80 2.83 -0.22 -3.43 1.02 0.15 -5.04 118.68 113.19 1d2b s LEU 108 Ca 0.00 -0.04 -0.21 0.00 0.02 0.00 0.00 54.13 53.90 1d2b s LEU 108 Cb 0.00 -2.11 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 1d2b s LEU 108 CO 0.00 -2.40 0.66 -0.44 0.02 0.00 0.00 176.35 174.18 1d2b s SER 109 N -4.84 6.68 0.45 2.29 0.01 -1.26 -4.90 113.70 112.12 1d2b s SER 109 Ca 0.71 0.83 0.41 0.00 1.31 0.00 0.00 55.95 59.20 1d2b s SER 109 Cb -0.04 -2.36 1.41 0.00 0.21 0.00 0.00 66.02 65.24 1d2b s SER 109 CO 0.50 -0.33 1.28 0.00 0.41 0.00 0.00 173.24 175.09 1d2b n LEU 110 N 5.36 0.01 0.08 2.44 -0.00 -1.26 0.61 117.00 124.24 1d2b n LEU 110 Ca -0.00 0.83 -0.14 0.00 -0.00 0.00 0.00 56.01 56.70 1d2b n LEU 110 Cb 0.49 -0.42 -0.14 0.00 -0.00 0.00 0.00 43.42 43.36 1d2b n LEU 110 CO 0.44 -0.84 -0.12 0.00 -0.00 0.00 0.00 177.39 176.87 1d2b h ALA 111 N 0.85 0.22 -0.00 1.47 0.00 -2.00 -2.97 119.26 116.83 1d2b h ALA 111 Ca 0.77 -0.98 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1d2b h ALA 111 Cb 3.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 20.93 1d2b h ALA 111 CO -0.03 1.10 -0.02 1.04 0.00 0.00 0.00 179.25 181.34 1d2b n GLN 112 N -3.45 1.02 0.05 0.00 1.13 2.62 0.80 117.38 119.55 1d2b n GLN 112 Ca -0.10 -0.25 -0.20 0.00 -1.94 0.00 0.00 57.00 54.51 1d2b n GLN 112 Cb 1.02 -1.49 -0.13 0.00 0.11 0.00 0.00 30.24 29.75 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 0.60 0.51 0.03 -1.09 9.65 0.30 -2.97 114.38 121.41 1d2b h ARG 113 Ca 0.00 -0.65 -0.05 0.00 -1.10 0.00 0.00 59.98 58.18 1d2b h ARG 113 Cb 0.20 0.21 0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1d2b h ARG 113 CO 0.00 1.27 -0.20 0.07 2.80 0.00 0.00 179.97 183.91 1d2b h ARG 114 N 0.05 0.08 -1.16 0.20 -0.00 -1.23 -3.12 114.38 109.19 1d2b h ARG 114 Ca -0.14 -0.13 0.39 0.00 -0.00 0.00 0.00 59.98 60.10 1d2b h ARG 114 Cb 1.67 0.05 -0.14 0.00 -0.00 0.00 0.00 29.97 31.54 1d2b h ARG 114 CO 0.18 1.04 0.71 0.78 -0.00 0.00 0.00 179.97 182.68 1d2b h GLY 115 N -0.82 1.69 0.09 0.08 0.00 0.29 1.49 103.07 105.89 1d2b h GLY 115 Ca -0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1d2b h GLY 115 CO 0.04 -0.48 -0.02 0.74 0.00 0.00 0.00 176.54 176.82 1d2b h PHE 116 N 0.16 -0.05 0.00 5.60 0.04 -1.62 1.39 116.94 122.45 1d2b h PHE 116 Ca 0.79 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.56 1d2b h PHE 116 Cb 2.20 0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.36 1d2b h PHE 116 CO -0.01 0.46 0.38 0.00 -0.60 0.00 0.00 178.31 178.54 1d2b h THR 117 N -0.97 0.00 0.00 -1.55 1.03 -0.31 -3.35 112.91 107.76 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 0.54 0.54 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 1d2b h THR 117 CO 0.01 0.00 0.00 1.17 -0.01 0.00 0.00 175.52 176.69 1d2b n LYS 118 N -2.68 0.00 0.06 0.00 4.81 0.47 -5.01 118.16 115.80 1d2b n LYS 118 Ca -0.02 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.53 1d2b n LYS 118 Cb 0.41 -0.23 -0.07 0.00 0.02 0.00 0.00 35.03 35.17 1d2b n LYS 118 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1d2b n THR 119 N -2.03 0.44 -0.38 3.15 -2.24 0.18 -4.50 114.28 108.90 1d2b n THR 119 Ca 0.00 -0.54 -0.06 0.00 -2.27 0.00 0.00 64.05 61.18 1d2b n THR 119 Cb 0.00 -0.24 0.19 0.00 -2.10 0.00 0.00 70.33 68.18 1d2b n THR 119 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1d2b n TYR 120 N -2.54 1.73 -0.06 4.78 4.01 0.42 -1.80 117.16 123.71 1d2b n TYR 120 Ca -0.02 -0.96 -0.09 0.00 -0.16 0.00 0.00 57.90 56.67 1d2b n TYR 120 Cb 0.58 -0.55 -0.15 0.00 -0.31 0.00 0.00 39.34 38.91 1d2b n TYR 120 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1d2b n THR 121 N -0.11 1.43 0.00 -0.72 5.66 -1.26 -3.65 114.28 115.64 1d2b n THR 121 Ca 0.30 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1d2b n THR 121 Cb 1.09 -0.68 0.00 0.00 -1.55 0.00 0.00 70.33 69.19 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1d2b n VAL 122 N -2.86 0.00 -1.84 1.08 0.31 -1.25 -4.76 118.33 109.01 1d2b n VAL 122 Ca -0.25 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.05 1d2b n VAL 122 Cb 1.09 -0.16 0.13 0.00 -0.91 0.00 0.00 33.84 34.00 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 2.13 5.08 3.30 2.92 0.00 -0.74 -4.97 105.19 112.91 1d2b n GLY 123 Ca 0.00 -1.66 -0.29 0.00 0.00 0.00 0.00 46.02 44.07 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N 6.54 1.83 0.00 0.00 0.28 -1.26 -4.28 120.64 123.75 1d2b n GLU 125 Ca 0.30 -4.17 0.13 0.00 -0.16 0.00 0.00 57.16 53.26 1d2b n GLU 125 Cb 0.32 -1.94 0.28 0.00 1.43 0.00 0.00 31.44 31.53 1d2b n GLU 125 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36