#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 0.31 -3.67 0.00 -2.24 -1.26 -4.81 114.28 102.62 1d2b n THR 2 Ca 0.00 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1d2b n THR 2 Cb 0.00 -2.31 0.00 0.00 -2.10 0.00 0.00 70.33 65.92 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 -0.36 5.33 -0.39 0.00 0.11 -1.26 -4.79 120.40 119.05 1d2b s VAL 4 Ca 0.00 -0.02 -0.42 0.00 -2.93 0.00 0.00 61.98 58.61 1d2b s VAL 4 Cb 0.00 -3.58 -0.17 0.00 -1.53 0.00 0.00 36.38 31.11 1d2b s VAL 4 CO 0.00 0.28 1.85 -2.65 -3.33 0.00 0.00 175.10 171.25 1d2b n PRO 5 N 0.82 0.65 -3.02 1.54 -0.02 -1.26 -4.93 135.00 128.78 1d2b n PRO 5 Ca -0.09 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.28 1d2b n PRO 5 Cb 0.52 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 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 4.28 4.12 -0.13 0.52 0.05 -1.26 -4.95 135.00 137.62 1d2b s PRO 6 Ca 1.06 0.86 -0.21 0.00 0.05 0.00 0.00 61.00 62.75 1d2b s PRO 6 Cb -1.22 -2.41 -0.10 0.00 0.05 0.00 0.00 34.50 30.82 1d2b s PRO 6 CO 0.67 0.13 0.65 0.72 0.05 0.00 0.00 177.00 179.22 1d2b n HIS 7 N -0.30 0.60 0.33 0.56 8.25 -1.26 -4.49 115.22 118.91 1d2b n HIS 7 Ca 0.04 0.53 0.15 0.00 -0.26 0.00 0.00 57.72 58.18 1d2b n HIS 7 Cb 0.53 -1.03 0.62 0.00 1.12 0.00 0.00 29.99 31.23 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 1.96 0.00 0.33 -0.41 0.13 -1.95 0.83 132.00 132.89 1d2b h PRO 8 Ca -0.22 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 1d2b h PRO 8 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1d2b h PRO 8 CO 0.40 0.00 -0.16 0.37 -0.23 0.00 0.00 178.00 178.38 1d2b h GLN 9 N 0.00 -0.43 -0.12 0.86 4.15 -1.87 1.38 115.11 119.07 1d2b h GLN 9 Ca 0.00 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.49 1d2b h GLN 9 Cb 0.43 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.17 1d2b h GLN 9 CO 0.00 -0.29 -0.17 1.15 -1.93 0.00 0.00 178.83 177.59 1d2b h THR 10 N -0.45 0.56 -0.46 2.39 2.02 -1.67 -0.24 112.91 115.06 1d2b h THR 10 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 1d2b h THR 10 Cb 0.34 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1d2b h THR 10 CO 0.08 0.00 0.30 0.00 0.37 0.00 0.00 175.52 176.26 1d2b h ALA 11 N 0.83 0.58 0.79 6.16 0.00 0.76 0.84 119.26 129.22 1d2b h ALA 11 Ca 0.09 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1d2b h ALA 11 Cb 0.35 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.97 1d2b h ALA 11 CO -0.25 0.02 -0.38 0.35 0.00 0.00 0.00 179.25 178.99 1d2b h PHE 12 N 0.61 -0.99 -0.03 0.00 3.57 0.21 -2.03 116.94 118.28 1d2b h PHE 12 Ca 0.17 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1d2b h PHE 12 Cb -0.06 0.33 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1d2b h PHE 12 CO -0.05 -0.60 -0.01 0.00 -2.23 0.00 0.00 178.31 175.42 1d2b h ASN 14 N -0.35 0.64 -3.84 0.00 4.21 0.61 -3.39 115.58 113.45 1d2b h ASN 14 Ca 0.01 0.07 -0.51 0.00 1.21 0.00 0.00 56.30 57.08 1d2b h ASN 14 Cb 0.45 -0.04 0.03 0.00 -1.12 0.00 0.00 38.32 37.64 1d2b h ASN 14 CO 0.00 0.30 0.51 -0.44 -1.29 0.00 0.00 177.43 176.51 1d2b s SER 15 N -5.51 7.07 -0.08 5.81 0.01 -0.76 -4.85 113.70 115.39 1d2b s SER 15 Ca -0.12 2.35 0.20 0.00 1.31 0.00 0.00 55.95 59.68 1d2b s SER 15 Cb 0.21 -2.63 0.71 0.00 0.21 0.00 0.00 66.02 64.52 1d2b s SER 15 CO 0.79 -0.29 1.61 0.47 0.41 0.00 0.00 173.24 176.23 1d2b n ASP 16 N 0.93 4.56 -3.48 2.44 9.92 -1.25 -4.80 116.55 124.87 1d2b n ASP 16 Ca -0.00 -2.32 0.00 0.00 -0.53 0.00 0.00 54.79 51.95 1d2b n ASP 16 Cb 0.45 -0.56 -0.05 0.00 -0.64 0.00 0.00 41.12 40.32 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 -1.59 -0.58 -0.02 0.64 1.43 0.18 -4.50 118.68 114.24 1d2b s LEU 17 Ca 0.51 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 54.44 1d2b s LEU 17 Cb 0.31 1.71 0.02 0.00 0.03 0.00 0.00 46.19 48.26 1d2b s LEU 17 CO 0.28 -0.12 0.02 -0.69 0.23 0.00 0.00 176.35 176.06 1d2b s VAL 18 N 2.16 -0.01 0.02 -1.59 1.01 0.19 0.22 120.40 122.40 1d2b s VAL 18 Ca -0.04 0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 1d2b s VAL 18 Cb -0.06 -0.09 0.05 0.00 0.00 0.00 0.00 36.38 36.29 1d2b s VAL 18 CO -0.17 0.07 0.51 0.27 0.00 0.00 0.00 175.10 175.79 1d2b s ILE 19 N 0.77 0.03 -0.16 2.22 -0.00 0.16 0.10 121.20 124.32 1d2b s ILE 19 Ca -0.07 -0.25 -0.10 0.00 -0.00 0.00 0.00 60.65 60.24 1d2b s ILE 19 Cb -0.10 -0.93 -0.05 0.00 -0.00 0.00 0.00 42.46 41.38 1d2b s ILE 19 CO -0.02 -0.13 0.17 0.00 -0.00 0.00 0.00 174.94 174.96 1d2b s ARG 20 N -2.08 3.98 0.34 0.37 1.70 0.27 0.01 118.95 123.54 1d2b s ARG 20 Ca -0.07 -0.12 -0.18 0.00 -0.47 0.00 0.00 55.73 54.89 1d2b s ARG 20 Cb -0.01 -3.35 0.04 0.00 -0.57 0.00 0.00 34.95 31.06 1d2b s ARG 20 CO 0.01 0.44 0.75 0.00 -1.08 0.00 0.00 175.30 175.42 1d2b s ALA 21 N -0.07 -0.91 0.10 7.88 0.00 -0.82 -0.25 121.76 127.69 1d2b s ALA 21 Ca 0.12 -0.58 0.05 0.00 0.00 0.00 0.00 51.96 51.56 1d2b s ALA 21 Cb -0.12 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1d2b s ALA 21 CO 0.01 -1.00 -0.01 0.15 0.00 0.00 0.00 175.76 174.91 1d2b s LYS 22 N -3.06 2.49 0.02 0.00 1.02 0.13 0.15 119.74 120.49 1d2b s LYS 22 Ca 0.14 -0.89 -0.15 0.00 0.02 0.00 0.00 55.97 55.09 1d2b s LYS 22 Cb -0.05 -2.50 -0.06 0.00 -0.52 0.00 0.00 37.83 34.70 1d2b s LYS 22 CO 0.10 0.53 0.44 -0.06 -0.92 0.00 0.00 175.35 175.43 1d2b s PHE 23 N -1.35 3.72 0.00 3.18 0.40 -1.26 0.44 117.98 123.11 1d2b s PHE 23 Ca 0.26 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.60 1d2b s PHE 23 Cb -0.11 -2.31 0.00 0.00 0.51 0.00 0.00 43.02 41.11 1d2b s PHE 23 CO 0.18 0.62 0.00 1.33 0.70 0.00 0.00 175.22 178.05 1d2b n VAL 24 N 1.67 0.00 -0.75 -0.44 0.24 0.20 -4.37 118.33 114.89 1d2b n VAL 24 Ca -0.13 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.85 1d2b n VAL 24 Cb 0.52 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 33.02 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 2.35 -2.62 3.92 7.63 0.00 -0.77 -4.82 105.19 110.88 1d2b n GLY 25 Ca 0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.14 5.14 0.08 2.61 -1.32 -1.26 -3.70 115.64 115.04 1d2b s THR 26 Ca 0.47 -0.29 -0.27 0.00 -1.21 0.00 0.00 61.69 60.39 1d2b s THR 26 Cb -0.04 -3.76 -0.06 0.00 -1.51 0.00 0.00 72.50 67.13 1d2b s THR 26 CO 0.61 -0.29 0.85 -2.16 -2.21 0.00 0.00 174.62 171.42 1d2b s PRO 27 N -3.60 4.59 -0.35 7.08 0.04 -1.24 -4.35 135.00 137.17 1d2b s PRO 27 Ca 0.40 1.24 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1d2b s PRO 27 Cb -0.11 -3.37 -0.00 0.00 0.04 0.00 0.00 34.50 31.07 1d2b s PRO 27 CO 0.31 0.26 0.58 -1.21 0.04 0.00 0.00 177.00 176.98 1d2b s GLU 28 N -0.05 3.67 0.06 4.56 2.02 0.08 -4.87 118.70 124.17 1d2b s GLU 28 Ca 0.42 -0.02 0.02 0.00 0.02 0.00 0.00 54.97 55.41 1d2b s GLU 28 Cb -0.22 -3.80 -0.04 0.00 0.10 0.00 0.00 34.13 30.17 1d2b s GLU 28 CO 0.26 -0.68 0.11 0.08 0.02 0.00 0.00 175.26 175.04 1d2b s VAL 29 N 2.56 4.73 0.15 2.63 1.01 -1.26 -3.36 120.40 126.87 1d2b s VAL 29 Ca 0.22 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 1d2b s VAL 29 Cb -0.15 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 1d2b s VAL 29 CO 0.14 0.16 0.19 0.21 0.00 0.00 0.00 175.10 175.80 1d2b s ASN 30 N -2.32 0.15 0.00 3.32 2.47 -1.26 -4.98 114.94 112.31 1d2b s ASN 30 Ca 0.30 -1.01 0.27 0.00 0.42 0.00 0.00 52.86 52.83 1d2b s ASN 30 Cb -0.12 0.38 0.86 0.00 -1.45 0.00 0.00 41.25 40.91 1d2b s ASN 30 CO 0.22 -0.83 1.63 0.00 -3.72 0.00 0.00 177.10 174.40 1d2b n GLN 31 N -0.17 0.70 -0.75 0.43 1.13 -1.26 -4.11 117.38 113.35 1d2b n GLN 31 Ca -0.06 -0.37 0.01 0.00 -1.94 0.00 0.00 57.00 54.64 1d2b n GLN 31 Cb 0.63 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.49 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 -0.83 0.00 -0.09 5.09 -1.04 -1.26 -4.83 114.28 111.32 1d2b n THR 32 Ca 0.12 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.05 61.78 1d2b n THR 32 Cb 0.33 0.61 -0.12 0.00 -1.82 0.00 0.00 70.33 69.32 1d2b n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1d2b n THR 33 N 0.12 1.17 0.00 12.58 -2.24 -1.26 -4.93 114.28 119.72 1d2b n THR 33 Ca 0.01 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1d2b n THR 33 Cb 0.80 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1d2b n THR 33 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1d2b n LEU 34 N -2.75 0.00 -4.15 3.22 4.77 -1.23 -4.74 117.00 112.12 1d2b n LEU 34 Ca -0.30 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.53 1d2b n LEU 34 Cb 1.01 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.03 1d2b n LEU 34 CO 0.32 0.00 0.01 -0.72 -1.33 0.00 0.00 177.39 175.67 1d2b s TYR 35 N -0.54 1.20 0.14 -1.77 1.13 -1.26 0.57 117.35 116.82 1d2b s TYR 35 Ca 0.00 -1.35 0.03 0.00 -1.41 0.00 0.00 57.07 54.33 1d2b s TYR 35 Cb 0.00 -0.31 -0.01 0.00 -1.10 0.00 0.00 41.96 40.54 1d2b s TYR 35 CO 0.00 -0.97 0.14 1.04 -2.51 0.00 0.00 175.55 173.25 1d2b n GLN 36 N -0.51 0.20 -3.82 -3.49 6.02 0.81 -3.98 117.38 112.61 1d2b n GLN 36 Ca 0.03 -1.38 -0.12 0.00 -0.01 0.00 0.00 57.00 55.51 1d2b n GLN 36 Cb 0.63 1.16 -0.11 0.00 1.02 0.00 0.00 30.24 32.93 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 -2.53 0.31 0.11 -1.09 3.52 -1.21 -2.35 118.95 115.70 1d2b s ARG 37 Ca 0.16 0.11 0.09 0.00 -0.13 0.00 0.00 55.73 55.96 1d2b s ARG 37 Cb 0.01 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1d2b s ARG 37 CO 0.11 -0.05 -0.22 0.71 -0.81 0.00 0.00 175.30 175.04 1d2b s TYR 38 N -0.28 1.89 -0.19 5.12 2.02 -0.54 -0.74 117.35 124.63 1d2b s TYR 38 Ca -0.04 -0.41 -0.07 0.00 -0.37 0.00 0.00 57.07 56.18 1d2b s TYR 38 Cb -0.03 -1.03 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 1d2b s TYR 38 CO 0.01 0.23 0.05 -2.00 -1.57 0.00 0.00 175.55 172.27 1d2b s GLU 39 N -1.94 3.87 -0.02 -0.62 2.12 -1.24 -1.70 118.70 119.17 1d2b s GLU 39 Ca 0.08 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.04 1d2b s GLU 39 Cb -0.10 -3.19 -0.00 0.00 0.26 0.00 0.00 34.13 31.10 1d2b s GLU 39 CO 0.05 0.18 -0.10 0.96 -0.54 0.00 0.00 175.26 175.81 1d2b s ILE 40 N 0.60 0.85 -1.11 -3.70 -4.36 -0.50 -0.63 121.20 112.34 1d2b s ILE 40 Ca 0.02 -0.42 -0.22 0.00 -0.26 0.00 0.00 60.65 59.77 1d2b s ILE 40 Cb -0.13 -0.73 -0.04 0.00 1.25 0.00 0.00 42.46 42.81 1d2b s ILE 40 CO 0.02 0.25 1.86 -0.75 0.24 0.00 0.00 174.94 176.55 1d2b s LYS 41 N 0.03 2.87 -0.14 0.37 2.47 1.51 -4.72 119.74 122.13 1d2b s LYS 41 Ca -0.01 -1.08 -0.30 0.00 -1.56 0.00 0.00 55.97 53.02 1d2b s LYS 41 Cb -0.07 -5.26 -0.08 0.00 -1.46 0.00 0.00 37.83 30.96 1d2b s LYS 41 CO 0.00 -3.36 2.10 -0.12 0.16 0.00 0.00 175.35 174.13 1d2b n MET 42 N 8.51 2.18 -0.01 4.03 0.00 -1.26 0.17 117.12 130.74 1d2b n MET 42 Ca 0.43 0.70 -0.00 0.00 -0.00 0.00 0.00 57.70 58.84 1d2b n MET 42 Cb 0.47 -3.00 -0.00 0.00 0.00 0.00 0.00 33.22 30.69 1d2b n MET 42 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1d2b h THR 43 N 6.44 0.00 -2.92 1.12 2.02 -0.95 -3.47 112.91 115.14 1d2b h THR 43 Ca -0.43 -0.24 -0.08 0.00 0.77 0.00 0.00 66.41 66.43 1d2b h THR 43 Cb 1.25 0.00 -0.18 0.00 -1.74 0.00 0.00 68.15 67.49 1d2b h THR 43 CO 0.96 0.00 -0.11 -0.54 0.37 0.00 0.00 175.52 176.19 1d2b s LYS 44 N -1.13 0.88 -0.11 6.66 -0.14 0.19 -5.00 119.74 121.07 1d2b s LYS 44 Ca -0.00 -0.26 -0.11 0.00 -1.36 0.00 0.00 55.97 54.24 1d2b s LYS 44 Cb 0.00 0.39 -0.05 0.00 -1.68 0.00 0.00 37.83 36.50 1d2b s LYS 44 CO 0.00 -0.29 0.24 0.00 -0.76 0.00 0.00 175.35 174.55 1d2b s MET 45 N -2.07 3.86 -0.09 1.68 0.23 -1.26 0.97 119.30 122.62 1d2b s MET 45 Ca -0.08 0.05 0.12 0.00 -1.03 0.00 0.00 55.69 54.75 1d2b s MET 45 Cb -0.02 -3.29 0.27 0.00 -1.53 0.00 0.00 34.83 30.27 1d2b s MET 45 CO 0.01 0.56 1.19 0.66 -2.03 0.00 0.00 175.02 175.40 1d2b n TYR 46 N 2.56 0.29 0.00 3.16 4.02 0.28 -4.91 117.16 122.56 1d2b n TYR 46 Ca -0.16 -0.77 0.00 0.00 -0.01 0.00 0.00 57.90 56.96 1d2b n TYR 46 Cb 0.53 -0.14 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 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 -0.69 0.00 0.00 -0.72 4.81 -0.10 -4.79 118.16 116.66 1d2b n LYS 47 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 1d2b n LYS 47 Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 1d2b n LYS 47 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d2b n GLY 48 N 0.00 -0.61 0.40 3.14 0.00 -1.26 0.54 105.19 107.40 1d2b n GLY 48 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.38 -0.32 1.61 0.04 -1.93 2.53 116.94 117.50 1d2b h PHE 49 Ca 0.00 0.10 0.09 0.00 2.80 0.00 0.00 57.97 60.96 1d2b h PHE 49 Cb 0.00 0.71 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 1d2b h PHE 49 CO 0.00 -0.41 0.37 -0.56 -0.60 0.00 0.00 178.31 177.11 1d2b h GLN 50 N -0.13 0.00 0.00 1.51 3.07 -1.98 0.97 115.11 118.55 1d2b h GLN 50 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.95 1d2b h GLN 50 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.10 1d2b h GLN 50 CO -0.81 0.00 -0.91 0.00 0.09 0.00 0.00 178.83 177.20 1d2b n ALA 51 N -2.31 4.31 -1.01 0.06 0.00 0.67 -4.70 120.51 117.54 1d2b n ALA 51 Ca 0.05 -0.52 -0.39 0.00 0.00 0.00 0.00 53.44 52.58 1d2b n ALA 51 Cb 0.52 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1d2b n ALA 51 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1d2b n LEU 52 N -1.56 3.99 -0.30 0.00 4.77 0.69 -4.70 117.00 119.90 1d2b n LEU 52 Ca 0.04 -2.78 0.13 0.00 -0.03 0.00 0.00 56.01 53.37 1d2b n LEU 52 Cb 0.35 -1.06 0.29 0.00 -2.33 0.00 0.00 43.42 40.66 1d2b n LEU 52 CO 0.41 -0.29 0.98 1.23 -1.33 0.00 0.00 177.39 178.39 1d2b h GLY 53 N 12.92 1.41 0.00 -0.72 0.00 -1.84 -3.39 103.07 111.44 1d2b h GLY 53 Ca 0.42 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.67 1d2b h GLY 53 CO 1.85 -0.33 0.00 1.22 0.00 0.00 0.00 176.54 179.29 1d2b n ASP 54 N -5.16 0.00 0.00 0.19 8.00 -1.26 -5.06 116.55 113.26 1d2b n ASP 54 Ca 0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.71 1d2b n ASP 54 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.77 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 -1.02 0.74 -3.82 2.24 0.00 -1.26 -5.03 120.51 112.36 1d2b n ALA 55 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 1d2b n ALA 55 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 3.87 -0.48 0.00 0.00 -1.26 -4.86 121.76 118.03 1d2b s ALA 56 Ca 0.00 -3.74 0.15 0.00 0.00 0.00 0.00 51.96 48.38 1d2b s ALA 56 Cb 0.00 -2.40 0.56 0.00 0.00 0.00 0.00 23.12 21.28 1d2b s ALA 56 CO 0.00 -2.11 1.47 -3.47 0.00 0.00 0.00 175.76 171.66 1d2b n ASP 57 N 2.32 4.12 -3.07 0.00 2.03 -1.26 -4.78 116.55 115.91 1d2b n ASP 57 Ca 0.18 -2.72 -0.12 0.00 0.52 0.00 0.00 54.79 52.64 1d2b n ASP 57 Cb 0.35 -0.51 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 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 -2.31 -0.50 -0.64 5.18 1.01 -1.26 -4.92 121.20 117.76 1d2b s ILE 58 Ca 0.42 -1.43 0.05 0.00 0.00 0.00 0.00 60.65 59.69 1d2b s ILE 58 Cb 0.31 -0.48 0.05 0.00 0.01 0.00 0.00 42.46 42.35 1d2b s ILE 58 CO 0.14 -0.46 0.69 0.54 0.00 0.00 0.00 174.94 175.85 1d2b n ARG 59 N 3.20 -0.09 -3.85 2.79 1.74 -1.26 -4.80 116.66 114.38 1d2b n ARG 59 Ca 0.20 -0.87 -0.12 0.00 -0.77 0.00 0.00 57.85 56.30 1d2b n ARG 59 Cb 0.52 -1.10 -0.11 0.00 -1.02 0.00 0.00 32.46 30.75 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 -0.47 -0.06 -0.17 -1.55 0.40 -1.26 -1.41 117.98 113.46 1d2b s PHE 60 Ca 0.06 0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1d2b s PHE 60 Cb 0.04 0.00 -0.01 0.00 0.51 0.00 0.00 43.02 43.57 1d2b s PHE 60 CO 0.07 -0.17 -0.11 0.14 0.70 0.00 0.00 175.22 175.85 1d2b s VAL 61 N -0.59 3.06 -0.34 -0.44 -7.23 -0.69 -4.07 120.40 110.09 1d2b s VAL 61 Ca -0.07 -0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1d2b s VAL 61 Cb -0.04 -2.33 0.06 0.00 0.56 0.00 0.00 36.38 34.63 1d2b s VAL 61 CO 0.01 0.49 0.10 -0.31 -0.31 0.00 0.00 175.10 175.07 1d2b s TYR 62 N 0.89 3.32 0.08 2.82 1.51 0.36 -1.47 117.35 124.86 1d2b s TYR 62 Ca -0.03 -1.77 0.10 0.00 -1.01 0.00 0.00 57.07 54.36 1d2b s TYR 62 Cb -0.15 -2.44 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1d2b s TYR 62 CO 0.00 -0.81 -0.26 -0.08 -1.11 0.00 0.00 175.55 173.29 1d2b s THR 63 N 1.31 2.13 0.22 -0.71 -1.32 -0.99 -3.12 115.64 113.16 1d2b s THR 63 Ca -0.01 -1.51 -0.32 0.00 -1.21 0.00 0.00 61.69 58.64 1d2b s THR 63 Cb -0.20 -1.85 -0.14 0.00 -1.51 0.00 0.00 72.50 68.79 1d2b s THR 63 CO 0.00 0.24 1.37 -2.65 -2.21 0.00 0.00 174.62 171.38 1d2b n PRO 64 N 1.45 1.89 -3.38 7.08 -0.02 -1.24 0.28 135.00 141.06 1d2b n PRO 64 Ca -0.17 0.67 -0.45 0.00 -2.02 0.00 0.00 63.50 61.53 1d2b n PRO 64 Cb 0.52 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b s ALA 65 N -0.04 3.59 0.22 3.55 0.00 2.30 -3.24 121.76 128.15 1d2b s ALA 65 Ca 0.69 -2.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.05 1d2b s ALA 65 Cb -0.69 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.25 1d2b s ALA 65 CO 0.50 -2.00 0.24 -1.64 0.00 0.00 0.00 175.76 172.86 1d2b s MET 66 N 1.49 1.34 -0.02 0.00 -1.94 -1.26 -3.51 119.30 115.40 1d2b s MET 66 Ca 0.04 -1.55 -0.21 0.00 -1.71 0.00 0.00 55.69 52.26 1d2b s MET 66 Cb -0.28 0.33 -0.24 0.00 2.01 0.00 0.00 34.83 36.65 1d2b s MET 66 CO 0.02 -0.48 1.07 1.05 -0.01 0.00 0.00 175.02 176.66 1d2b h GLU 67 N 2.48 0.33 -0.60 2.03 9.09 -1.98 -3.32 114.58 122.62 1d2b h GLU 67 Ca -0.33 -0.36 -0.30 0.00 0.05 0.00 0.00 59.36 58.42 1d2b h GLU 67 Cb 1.25 0.10 -0.18 0.00 -1.65 0.00 0.00 28.75 28.27 1d2b h GLU 67 CO 0.47 1.05 0.20 0.43 0.05 0.00 0.00 179.01 181.22 1d2b n SER 68 N -4.30 3.06 -2.95 3.06 7.64 -1.26 -4.99 113.62 113.88 1d2b n SER 68 Ca -0.10 -3.68 -0.07 0.00 1.01 0.00 0.00 58.87 56.03 1d2b n SER 68 Cb 0.63 -0.71 0.03 0.00 -1.01 0.00 0.00 64.21 63.14 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 -1.08 0.00 -0.11 0.44 3.14 -1.25 -4.13 118.33 115.35 1d2b n VAL 69 Ca 0.43 -0.61 -0.19 0.00 -2.96 0.00 0.00 64.34 61.01 1d2b n VAL 69 Cb 1.28 -0.94 -0.06 0.00 -1.06 0.00 0.00 33.84 33.06 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 1.36 2.23 2.72 0.00 0.00 -1.20 -3.99 105.19 106.31 1d2b n GLY 71 Ca -0.33 0.30 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.98 -0.87 1.61 5.04 -1.26 -3.52 117.35 117.37 1d2b s TYR 72 Ca 0.00 -0.34 -0.25 0.00 -2.44 0.00 0.00 57.07 54.05 1d2b s TYR 72 Cb 0.00 0.19 -0.04 0.00 0.35 0.00 0.00 41.96 42.46 1d2b s TYR 72 CO 0.00 -0.77 1.93 -0.06 -1.34 0.00 0.00 175.55 175.31 1d2b s PHE 73 N 0.93 1.80 -0.32 4.97 0.08 -1.26 -4.91 117.98 119.28 1d2b s PHE 73 Ca 0.27 0.63 -0.19 0.00 0.12 0.00 0.00 56.93 57.76 1d2b s PHE 73 Cb 0.06 -4.06 -0.01 0.00 -0.57 0.00 0.00 43.02 38.45 1d2b s PHE 73 CO -0.08 -1.81 0.58 -1.58 -0.10 0.00 0.00 175.22 172.24 1d2b s HIS 74 N 9.93 3.20 -0.60 0.36 5.65 -1.26 -4.96 115.29 127.61 1d2b s HIS 74 Ca 0.70 0.46 0.02 0.00 0.25 0.00 0.00 55.06 56.48 1d2b s HIS 74 Cb -0.07 -2.95 0.39 0.00 -1.18 0.00 0.00 32.58 28.77 1d2b s HIS 74 CO 0.01 -0.48 1.46 0.54 -0.65 0.00 0.00 174.74 175.62 1d2b n ARG 75 N 5.82 3.19 -4.17 2.88 3.00 -1.26 -4.99 116.66 121.12 1d2b n ARG 75 Ca -0.02 -4.14 -0.33 0.00 -0.01 0.00 0.00 57.85 53.35 1d2b n ARG 75 Cb 0.49 -2.26 -0.16 0.00 0.00 0.00 0.00 32.46 30.53 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1d2b s SER 76 N -2.60 3.06 -0.01 0.55 0.01 -1.26 -4.98 113.70 108.47 1d2b s SER 76 Ca 0.49 -0.62 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 1d2b s SER 76 Cb 0.41 -1.43 -0.26 0.00 0.21 0.00 0.00 66.02 64.94 1d2b s SER 76 CO -0.28 0.00 0.79 -0.74 0.41 0.00 0.00 173.24 173.43 1d2b h HIS 77 N 7.88 0.35 -2.60 2.43 2.76 -2.00 -3.45 115.15 120.52 1d2b h HIS 77 Ca -0.43 -0.26 -0.58 0.00 -2.20 0.00 0.00 60.37 56.90 1d2b h HIS 77 Cb 1.15 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.07 1d2b h HIS 77 CO 0.47 1.34 1.30 1.21 -1.30 0.00 0.00 177.93 180.95 1d2b s ASN 78 N -6.82 5.86 0.00 3.26 3.84 -1.26 -4.84 114.94 114.98 1d2b s ASN 78 Ca -0.09 1.38 0.29 0.00 0.21 0.00 0.00 52.86 54.65 1d2b s ASN 78 Cb 0.07 -2.52 1.28 0.00 -0.55 0.00 0.00 41.25 39.53 1d2b s ASN 78 CO 0.84 -1.72 1.93 -2.11 -2.79 0.00 0.00 177.10 173.25 1d2b n ARG 79 N 8.45 0.20 0.00 0.43 0.00 -1.26 -2.83 116.66 121.65 1d2b n ARG 79 Ca 0.24 -0.02 0.10 0.00 -0.00 0.00 0.00 57.85 58.17 1d2b n ARG 79 Cb 0.46 -1.50 -0.07 0.00 -0.00 0.00 0.00 32.46 31.36 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 -1.38 1.42 -4.71 2.89 2.88 -1.26 -4.29 113.62 109.17 1d2b n SER 80 Ca 0.10 -1.21 -0.42 0.00 -1.33 0.00 0.00 58.87 56.01 1d2b n SER 80 Cb 0.30 0.76 -0.03 0.00 -0.75 0.00 0.00 64.21 64.50 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 -2.68 4.49 1.04 -1.46 2.56 -1.13 -4.98 118.70 116.54 1d2b s GLU 81 Ca 0.12 1.55 -0.13 0.00 0.00 0.00 0.00 54.97 56.51 1d2b s GLU 81 Cb 0.16 -3.44 0.21 0.00 2.00 0.00 0.00 34.13 33.06 1d2b s GLU 81 CO 0.71 -0.17 1.09 -1.21 -0.56 0.00 0.00 175.26 175.11 1d2b s GLU 82 N 1.22 0.08 0.33 4.30 0.41 -1.26 -4.07 118.70 119.70 1d2b s GLU 82 Ca 0.54 0.44 -0.17 0.00 -0.41 0.00 0.00 54.97 55.38 1d2b s GLU 82 Cb -0.24 -1.70 0.03 0.00 -1.78 0.00 0.00 34.13 30.44 1d2b s GLU 82 CO 0.27 -2.95 0.71 -0.06 -0.49 0.00 0.00 175.26 172.74 1d2b s PHE 83 N -2.94 0.09 -0.12 1.61 0.08 0.40 -4.51 117.98 112.59 1d2b s PHE 83 Ca 0.66 -0.62 0.02 0.00 0.12 0.00 0.00 56.93 57.11 1d2b s PHE 83 Cb -0.18 0.67 0.01 0.00 -0.57 0.00 0.00 43.02 42.95 1d2b s PHE 83 CO 0.58 -1.36 -0.17 -1.17 -0.10 0.00 0.00 175.22 173.00 1d2b s LEU 84 N -3.02 1.81 -0.24 -0.37 1.98 0.22 -1.95 118.68 117.11 1d2b s LEU 84 Ca 0.15 -0.48 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 1d2b s LEU 84 Cb -0.05 -1.19 0.07 0.00 0.66 0.00 0.00 46.19 45.68 1d2b s LEU 84 CO 0.10 0.02 -0.02 -0.63 -1.89 0.00 0.00 176.35 173.94 1d2b s ILE 85 N 1.00 1.30 -0.27 6.68 -1.09 0.10 -1.56 121.20 127.35 1d2b s ILE 85 Ca -0.05 -1.16 -0.14 0.00 -2.23 0.00 0.00 60.65 57.07 1d2b s ILE 85 Cb -0.15 -1.67 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 1d2b s ILE 85 CO -0.03 -0.20 0.32 0.00 -1.23 0.00 0.00 174.94 173.80 1d2b s ALA 86 N 1.49 3.55 -0.28 9.38 0.00 0.59 0.36 121.76 136.85 1d2b s ALA 86 Ca -0.03 -0.91 -0.19 0.00 0.00 0.00 0.00 51.96 50.83 1d2b s ALA 86 Cb -0.18 -2.65 0.11 0.00 0.00 0.00 0.00 23.12 20.40 1d2b s ALA 86 CO -0.08 -0.64 0.88 0.20 0.00 0.00 0.00 175.76 176.12 1d2b s GLY 87 N 1.68 -0.28 0.45 0.00 0.00 0.58 -4.35 107.32 105.40 1d2b s GLY 87 Ca 0.13 2.70 -0.05 0.00 0.00 0.00 0.00 44.72 47.49 1d2b s GLY 87 CO 0.10 2.25 0.75 1.25 0.00 0.00 0.00 173.10 177.46 1d2b s LYS 88 N 1.03 3.57 0.44 2.90 2.20 -1.04 0.51 119.74 129.36 1d2b s LYS 88 Ca -0.05 0.19 -0.21 0.00 -0.36 0.00 0.00 55.97 55.53 1d2b s LYS 88 Cb -0.04 -2.41 -0.10 0.00 -1.51 0.00 0.00 37.83 33.76 1d2b s LYS 88 CO -0.12 -0.14 0.99 -0.51 -0.36 0.00 0.00 175.35 175.21 1d2b s LEU 89 N -4.54 3.93 -0.24 5.43 1.43 -1.26 -0.64 118.68 122.79 1d2b s LEU 89 Ca 0.47 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 55.36 1d2b s LEU 89 Cb -0.10 -4.51 0.07 0.00 0.03 0.00 0.00 46.19 41.68 1d2b s LEU 89 CO 0.42 -0.51 0.03 -1.58 0.23 0.00 0.00 176.35 174.95 1d2b s GLN 90 N -3.11 0.90 -0.45 1.70 2.00 0.17 -4.83 119.66 116.03 1d2b s GLN 90 Ca 0.63 -0.76 0.00 0.00 -2.00 0.00 0.00 55.36 53.24 1d2b s GLN 90 Cb -0.13 -2.19 0.00 0.00 0.80 0.00 0.00 33.01 31.49 1d2b s GLN 90 CO 0.17 -0.74 0.00 -0.25 -0.50 0.00 0.00 175.29 173.97 1d2b n ASP 91 N 4.90 -2.05 0.00 6.67 9.92 -1.26 -0.58 116.55 134.15 1d2b n ASP 91 Ca -0.07 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1d2b n ASP 91 Cb 0.45 -1.89 0.00 0.00 -0.64 0.00 0.00 41.12 39.04 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 -0.54 0.96 3.39 0.44 0.00 -1.26 -5.11 105.19 103.07 1d2b n GLY 92 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 2.34 0.60 0.99 2.01 0.26 -5.10 118.68 119.78 1d2b s LEU 93 Ca 0.00 -0.67 -0.19 0.00 0.01 0.00 0.00 54.13 53.29 1d2b s LEU 93 Cb 0.00 -1.29 -0.03 0.00 0.01 0.00 0.00 46.19 44.87 1d2b s LEU 93 CO 0.00 0.21 1.22 -0.22 1.01 0.00 0.00 176.35 178.56 1d2b s LEU 94 N -1.81 3.66 -0.01 1.79 2.96 -1.26 0.45 118.68 124.46 1d2b s LEU 94 Ca 0.14 2.41 0.01 0.00 -0.22 0.00 0.00 54.13 56.48 1d2b s LEU 94 Cb -0.10 -4.60 0.00 0.00 0.50 0.00 0.00 46.19 41.99 1d2b s LEU 94 CO 0.05 -1.64 -0.04 -1.00 -1.32 0.00 0.00 176.35 172.40 1d2b s HIS 95 N -1.57 0.47 0.25 5.38 3.76 0.18 0.14 115.29 123.89 1d2b s HIS 95 Ca 0.78 -0.09 -0.15 0.00 -0.15 0.00 0.00 55.06 55.45 1d2b s HIS 95 Cb -0.31 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.04 1d2b s HIS 95 CO 0.34 -0.04 0.53 0.96 -0.85 0.00 0.00 174.74 175.68 1d2b s ILE 96 N 0.11 0.00 0.24 0.60 -0.00 -1.18 -2.49 121.20 118.48 1d2b s ILE 96 Ca -0.01 -1.29 -0.22 0.00 -0.00 0.00 0.00 60.65 59.14 1d2b s ILE 96 Cb -0.05 -2.12 0.04 0.00 -0.00 0.00 0.00 42.46 40.33 1d2b s ILE 96 CO -0.00 -0.01 0.70 0.42 -0.00 0.00 0.00 174.94 176.05 1d2b s THR 97 N -3.99 0.00 -2.00 8.37 -4.23 -1.24 -4.26 115.64 108.29 1d2b s THR 97 Ca 0.19 -0.70 0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1d2b s THR 97 Cb -0.02 -1.72 0.17 0.00 1.34 0.00 0.00 72.50 72.27 1d2b s THR 97 CO 0.08 0.00 0.75 0.35 -0.54 0.00 0.00 174.62 175.26 1d2b n THR 98 N -0.44 0.00 -0.96 3.99 -2.24 -1.23 -0.52 114.28 112.89 1d2b n THR 98 Ca -0.08 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1d2b n THR 98 Cb 0.61 -0.68 0.07 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.93 4.48 -0.51 0.00 0.15 0.32 -4.58 113.70 111.64 1d2b s SER 100 Ca 0.17 -0.61 -0.27 0.00 0.70 0.00 0.00 55.95 55.94 1d2b s SER 100 Cb 0.15 -0.83 -0.02 0.00 -1.71 0.00 0.00 66.02 63.61 1d2b s SER 100 CO 0.02 0.04 1.83 0.12 1.20 0.00 0.00 173.24 176.45 1d2b s PHE 101 N -2.11 1.73 -0.27 3.44 2.19 -1.26 -4.74 117.98 116.96 1d2b s PHE 101 Ca 0.29 0.76 -0.00 0.00 0.33 0.00 0.00 56.93 58.31 1d2b s PHE 101 Cb -0.07 -4.10 0.14 0.00 -1.31 0.00 0.00 43.02 37.68 1d2b s PHE 101 CO 0.18 -2.49 0.34 0.08 1.83 0.00 0.00 175.22 175.17 1d2b s VAL 102 N 8.30 -0.52 0.29 3.12 1.01 -1.26 -0.30 120.40 131.05 1d2b s VAL 102 Ca 0.72 -0.30 -0.19 0.00 0.00 0.00 0.00 61.98 62.20 1d2b s VAL 102 Cb -0.16 -0.93 0.05 0.00 0.00 0.00 0.00 36.38 35.35 1d2b s VAL 102 CO 0.25 -0.31 0.85 0.00 0.00 0.00 0.00 175.10 175.89 1d2b s ALA 103 N 2.46 -1.14 0.04 5.51 0.00 -0.60 -4.98 121.76 123.05 1d2b s ALA 103 Ca 0.10 -0.46 -0.34 0.00 0.00 0.00 0.00 51.96 51.26 1d2b s ALA 103 Cb -0.14 0.72 -0.13 0.00 0.00 0.00 0.00 23.12 23.57 1d2b s ALA 103 CO -0.27 -1.02 1.70 -2.30 0.00 0.00 0.00 175.76 173.87 1d2b n PRO 104 N -0.54 2.08 -0.06 0.00 -0.02 -1.26 0.69 135.00 135.88 1d2b n PRO 104 Ca -0.06 0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1d2b n PRO 104 Cb 0.60 -2.55 -0.02 0.00 -0.02 0.00 0.00 33.50 31.52 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 7.24 -0.67 0.00 6.00 -0.00 -1.79 0.40 115.95 127.13 1d2b h TRP 105 Ca -0.47 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.47 1d2b h TRP 105 Cb 1.27 0.33 0.00 0.00 -0.00 0.00 0.00 29.16 30.76 1d2b h TRP 105 CO 0.73 -0.33 0.24 0.09 -0.00 0.00 0.00 178.44 179.18 1d2b n ASN 106 N -5.38 0.18 0.03 2.65 3.02 -1.26 0.82 115.26 115.31 1d2b n ASN 106 Ca -0.00 0.44 0.11 0.00 -0.03 0.00 0.00 54.58 55.10 1d2b n ASN 106 Cb 0.30 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 1d2b n ASN 106 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1d2b n SER 107 N -1.69 0.52 -4.56 6.41 2.88 0.14 -4.95 113.62 112.36 1d2b n SER 107 Ca -0.00 -0.09 -0.29 0.00 -1.33 0.00 0.00 58.87 57.15 1d2b n SER 107 Cb 0.25 1.07 0.17 0.00 -0.75 0.00 0.00 64.21 64.95 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 -4.32 1.71 0.52 2.46 1.02 0.24 -5.01 118.68 115.30 1d2b s LEU 108 Ca -0.00 0.92 -0.19 0.00 0.02 0.00 0.00 54.13 54.88 1d2b s LEU 108 Cb 0.13 -3.09 -0.07 0.00 0.02 0.00 0.00 46.19 43.19 1d2b s LEU 108 CO 0.83 -3.00 1.06 -0.44 0.02 0.00 0.00 176.35 174.83 1d2b s SER 109 N -3.89 6.08 0.44 2.29 0.01 -1.26 -4.86 113.70 112.50 1d2b s SER 109 Ca 0.66 1.96 0.13 0.00 1.31 0.00 0.00 55.95 60.01 1d2b s SER 109 Cb -0.14 -2.56 0.97 0.00 0.21 0.00 0.00 66.02 64.50 1d2b s SER 109 CO 0.55 -0.97 2.00 0.17 0.41 0.00 0.00 173.24 175.40 1d2b h LEU 110 N 1.24 0.08 0.07 2.44 -0.00 -1.95 0.95 115.31 118.14 1d2b h LEU 110 Ca -0.49 -0.01 -0.27 0.00 -0.00 0.00 0.00 57.88 57.11 1d2b h LEU 110 Cb 1.23 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 1d2b h LEU 110 CO 0.58 0.22 -1.33 0.00 -0.00 0.00 0.00 178.44 177.91 1d2b h ALA 111 N 1.79 0.33 -0.00 0.17 0.00 -1.98 -2.99 119.26 116.58 1d2b h ALA 111 Ca 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.88 1d2b h ALA 111 Cb 0.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1d2b h ALA 111 CO 0.02 1.20 0.00 1.04 0.00 0.00 0.00 179.25 181.51 1d2b n GLN 112 N -3.38 1.17 0.08 0.00 1.13 -0.28 0.24 117.38 116.34 1d2b n GLN 112 Ca -0.10 -0.24 -0.22 0.00 -1.94 0.00 0.00 57.00 54.50 1d2b n GLN 112 Cb 1.01 -1.49 -0.15 0.00 0.11 0.00 0.00 30.24 29.72 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 0.38 0.02 -1.09 9.65 0.98 -1.67 114.38 123.23 1d2b h ARG 113 Ca 0.00 -0.65 -0.20 0.00 -1.10 0.00 0.00 59.98 58.03 1d2b h ARG 113 Cb 0.13 0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.93 1d2b h ARG 113 CO 0.00 1.28 -0.95 0.00 2.80 0.00 0.00 179.97 183.10 1d2b h ARG 114 N 0.10 0.06 0.86 0.20 -0.00 -0.91 -3.13 114.38 111.56 1d2b h ARG 114 Ca -0.30 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.98 59.05 1d2b h ARG 114 Cb 2.09 0.03 0.01 0.00 0.00 0.00 0.00 29.97 32.10 1d2b h ARG 114 CO 0.19 0.96 -0.41 0.78 0.00 0.00 0.00 179.97 181.49 1d2b h GLY 115 N 2.49 -1.20 2.00 0.04 0.00 0.31 1.50 103.07 108.21 1d2b h GLY 115 Ca -0.03 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1d2b h GLY 115 CO 0.13 -0.44 0.00 0.69 0.00 0.00 0.00 176.54 176.93 1d2b n PHE 116 N -5.53 0.41 0.07 5.60 3.01 -0.63 0.37 117.46 120.75 1d2b n PHE 116 Ca -0.14 0.16 0.01 0.00 1.01 0.00 0.00 57.45 58.49 1d2b n PHE 116 Cb 0.45 -0.76 -0.04 0.00 -0.01 0.00 0.00 39.48 39.12 1d2b n PHE 116 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1d2b h THR 117 N 0.00 0.65 0.00 4.37 1.03 -1.39 -3.44 112.91 114.14 1d2b h THR 117 Ca 0.00 -2.09 0.00 0.00 -0.01 0.00 0.00 66.41 64.31 1d2b h THR 117 Cb 0.30 2.19 0.00 0.00 -1.07 0.00 0.00 68.15 69.57 1d2b h THR 117 CO 0.00 0.37 0.00 1.17 -0.01 0.00 0.00 175.52 177.05 1d2b n LYS 118 N -3.02 0.00 -0.12 0.00 4.81 0.51 -4.99 118.16 115.34 1d2b n LYS 118 Ca -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.27 1d2b n LYS 118 Cb 0.80 -0.47 -0.02 0.00 0.02 0.00 0.00 35.03 35.35 1d2b n LYS 118 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 1d2b h THR 119 N 0.00 1.28 -0.71 3.15 1.35 0.68 -3.36 112.91 115.30 1d2b h THR 119 Ca 0.00 -1.44 -0.19 0.00 -0.55 0.00 0.00 66.41 64.23 1d2b h THR 119 Cb 0.00 1.36 -0.11 0.00 -1.73 0.00 0.00 68.15 67.67 1d2b h THR 119 CO 0.00 0.48 0.23 -1.22 -0.25 0.00 0.00 175.52 174.76 1d2b n TYR 120 N -4.17 2.37 -0.12 4.73 4.01 -0.52 -1.23 117.16 122.23 1d2b n TYR 120 Ca -0.02 -1.16 -0.15 0.00 -0.16 0.00 0.00 57.90 56.41 1d2b n TYR 120 Cb 0.48 -0.66 -0.13 0.00 -0.31 0.00 0.00 39.34 38.72 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 -0.10 1.46 0.00 -0.72 5.66 -1.26 -4.18 114.28 115.15 1d2b n THR 121 Ca 0.39 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.73 1d2b n THR 121 Cb 1.36 -1.12 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 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 -3.10 0.00 -2.67 1.08 0.31 -1.26 -4.83 118.33 107.86 1d2b n VAL 122 Ca -0.41 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 63.85 1d2b n VAL 122 Cb 1.04 -0.31 0.04 0.00 -0.91 0.00 0.00 33.84 33.71 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 2.47 2.66 3.45 2.92 0.00 -1.02 -5.02 105.19 110.64 1d2b n GLY 123 Ca 0.00 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 7.20 1.82 0.00 0.00 -1.05 -1.26 -4.27 118.70 121.13 1d2b s GLU 125 Ca 0.63 -2.80 0.00 0.00 -0.15 0.00 0.00 54.97 52.65 1d2b s GLU 125 Cb 0.04 -2.62 0.00 0.00 -0.44 0.00 0.00 34.13 31.11 1d2b s GLU 125 CO 0.22 -1.31 0.10 -0.85 0.95 0.00 0.00 175.26 174.37