#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 -0.00 -3.06 0.00 5.66 -1.26 -4.69 114.28 110.93 1d2b n THR 2 Ca 0.00 -0.51 -0.10 0.00 -3.05 0.00 0.00 64.05 60.39 1d2b n THR 2 Cb 0.00 -1.94 0.03 0.00 -1.55 0.00 0.00 70.33 66.87 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 -0.78 4.03 -0.49 0.00 -7.23 -1.26 -4.81 120.40 109.85 1d2b s VAL 4 Ca 0.29 -1.43 -0.43 0.00 -1.81 0.00 0.00 61.98 58.60 1d2b s VAL 4 Cb -0.02 -3.28 -0.19 0.00 0.56 0.00 0.00 36.38 33.45 1d2b s VAL 4 CO 0.18 -0.28 2.09 -2.65 -0.31 0.00 0.00 175.10 174.13 1d2b n PRO 5 N -1.23 0.00 -3.11 4.82 -0.02 -1.26 -4.90 135.00 129.30 1d2b n PRO 5 Ca -0.05 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.03 1d2b n PRO 5 Cb 0.59 -1.46 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 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 5.88 4.40 -0.07 0.52 0.04 -1.26 -4.95 135.00 139.55 1d2b s PRO 6 Ca 1.17 0.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.91 1d2b s PRO 6 Cb -1.46 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 29.64 1d2b s PRO 6 CO 0.64 0.32 0.54 0.72 0.04 0.00 0.00 177.00 179.26 1d2b n HIS 7 N 2.79 0.44 0.25 0.56 8.25 -1.26 -4.46 115.22 121.79 1d2b n HIS 7 Ca -0.05 0.47 0.11 0.00 -0.26 0.00 0.00 57.72 57.99 1d2b n HIS 7 Cb 0.51 -0.92 0.67 0.00 1.12 0.00 0.00 29.99 31.36 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 1.58 0.00 0.32 -0.41 0.13 -1.92 0.82 132.00 132.52 1d2b h PRO 8 Ca -0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1d2b h PRO 8 Cb 0.61 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1d2b h PRO 8 CO 0.33 0.15 -0.31 0.37 -0.23 0.00 0.00 178.00 178.31 1d2b h GLN 9 N 0.00 -0.60 0.15 0.86 5.75 -1.78 3.46 115.11 122.95 1d2b h GLN 9 Ca -0.00 0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.56 1d2b h GLN 9 Cb 0.36 0.14 -0.04 0.00 1.07 0.00 0.00 27.48 29.01 1d2b h GLN 9 CO 0.02 -0.40 -0.38 1.15 -2.65 0.00 0.00 178.83 176.57 1d2b h THR 10 N -0.62 0.22 0.12 2.39 2.02 -1.65 0.63 112.91 116.02 1d2b h THR 10 Ca -0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1d2b h THR 10 Cb 0.54 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1d2b h THR 10 CO -0.03 0.00 -0.23 0.00 0.37 0.00 0.00 175.52 175.63 1d2b h ALA 11 N -0.09 -0.39 0.58 6.16 0.00 0.98 0.58 119.26 127.07 1d2b h ALA 11 Ca 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1d2b h ALA 11 Cb 0.65 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1d2b h ALA 11 CO -0.20 -0.76 -0.33 0.35 0.00 0.00 0.00 179.25 178.30 1d2b h PHE 12 N -0.43 -0.87 -0.64 0.00 3.57 0.67 -1.59 116.94 117.65 1d2b h PHE 12 Ca 0.03 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1d2b h PHE 12 Cb 0.45 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 1d2b h PHE 12 CO -0.21 -0.50 0.37 0.00 -2.23 0.00 0.00 178.31 175.73 1d2b h ASN 14 N 0.87 0.89 -3.89 0.00 -0.73 0.10 -3.44 115.58 109.37 1d2b h ASN 14 Ca 0.23 -0.44 -0.50 0.00 1.87 0.00 0.00 56.30 57.45 1d2b h ASN 14 Cb -0.00 -0.25 0.04 0.00 0.27 0.00 0.00 38.32 38.37 1d2b h ASN 14 CO -0.04 1.21 0.49 -0.44 -0.37 0.00 0.00 177.43 178.29 1d2b s SER 15 N -6.89 6.85 -0.09 1.15 0.01 -0.60 -4.88 113.70 109.25 1d2b s SER 15 Ca -0.10 2.31 0.19 0.00 1.31 0.00 0.00 55.95 59.66 1d2b s SER 15 Cb 0.11 -2.62 0.71 0.00 0.21 0.00 0.00 66.02 64.43 1d2b s SER 15 CO 0.87 -0.44 1.62 0.47 0.41 0.00 0.00 173.24 176.17 1d2b n ASP 16 N 0.53 4.62 -3.44 2.44 8.00 -1.24 -4.80 116.55 122.65 1d2b n ASP 16 Ca 0.02 -2.35 0.01 0.00 0.71 0.00 0.00 54.79 53.18 1d2b n ASP 16 Cb 0.46 -0.56 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 1d2b n ASP 16 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1d2b s LEU 17 N -1.67 -1.15 -0.07 0.64 1.43 0.63 -4.47 118.68 114.03 1d2b s LEU 17 Ca 0.51 1.23 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1d2b s LEU 17 Cb 0.32 2.17 0.03 0.00 0.03 0.00 0.00 46.19 48.73 1d2b s LEU 17 CO 0.27 -0.22 -0.00 -0.69 0.23 0.00 0.00 176.35 175.93 1d2b s VAL 18 N 2.85 0.39 0.12 -1.59 1.01 -0.31 0.24 120.40 123.10 1d2b s VAL 18 Ca 0.03 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1d2b s VAL 18 Cb -0.12 -0.53 0.05 0.00 0.00 0.00 0.00 36.38 35.78 1d2b s VAL 18 CO -0.19 0.25 0.47 0.27 0.00 0.00 0.00 175.10 175.90 1d2b s ILE 19 N 1.80 0.05 -0.17 2.22 -4.36 0.55 0.42 121.20 121.70 1d2b s ILE 19 Ca 0.02 -0.38 -0.14 0.00 -0.26 0.00 0.00 60.65 59.90 1d2b s ILE 19 Cb -0.13 -1.08 -0.05 0.00 1.25 0.00 0.00 42.46 42.46 1d2b s ILE 19 CO -0.04 -0.21 0.29 0.00 0.24 0.00 0.00 174.94 175.22 1d2b s ARG 20 N -3.49 4.24 0.24 0.37 1.70 0.14 0.14 118.95 122.28 1d2b s ARG 20 Ca 0.01 0.07 -0.20 0.00 -0.47 0.00 0.00 55.73 55.14 1d2b s ARG 20 Cb 0.01 -3.45 0.03 0.00 -0.57 0.00 0.00 34.95 30.97 1d2b s ARG 20 CO -0.10 0.19 0.64 0.00 -1.08 0.00 0.00 175.30 174.95 1d2b s ALA 21 N 0.62 -1.14 0.14 7.88 0.00 -0.81 0.32 121.76 128.77 1d2b s ALA 21 Ca 0.16 -0.21 0.08 0.00 0.00 0.00 0.00 51.96 51.99 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 0.04 -0.93 -0.11 0.15 0.00 0.00 0.00 175.76 174.91 1d2b s LYS 22 N -3.89 2.04 -0.26 0.00 1.02 0.20 0.20 119.74 119.04 1d2b s LYS 22 Ca 0.10 -1.14 -0.16 0.00 0.02 0.00 0.00 55.97 54.79 1d2b s LYS 22 Cb -0.04 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 35.02 1d2b s LYS 22 CO 0.02 0.47 0.42 -0.06 -0.92 0.00 0.00 175.35 175.28 1d2b s PHE 23 N -1.38 3.26 -0.28 3.18 0.40 -1.26 0.62 117.98 122.52 1d2b s PHE 23 Ca 0.22 0.49 0.20 0.00 -0.60 0.00 0.00 56.93 57.24 1d2b s PHE 23 Cb -0.10 -2.61 0.49 0.00 0.51 0.00 0.00 43.02 41.31 1d2b s PHE 23 CO 0.14 -0.23 1.08 1.33 0.70 0.00 0.00 175.22 178.24 1d2b n VAL 24 N 5.08 1.38 -3.63 -0.44 0.24 -1.01 -4.60 118.33 115.35 1d2b n VAL 24 Ca -0.07 -3.16 -0.03 0.00 -2.04 0.00 0.00 64.34 59.04 1d2b n VAL 24 Cb 0.50 0.81 -0.01 0.00 -1.47 0.00 0.00 33.84 33.67 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 -0.35 0.17 7.63 0.00 -1.10 -4.72 107.32 105.33 1d2b s GLY 25 Ca 0.30 0.78 0.03 0.00 0.00 0.00 0.00 44.72 45.83 1d2b s GLY 25 CO -0.02 0.22 0.28 -1.08 0.00 0.00 0.00 173.10 172.49 1d2b s THR 26 N -2.84 5.21 -0.10 0.90 -1.32 -1.26 -4.18 115.64 112.05 1d2b s THR 26 Ca 0.11 -0.79 -0.29 0.00 -1.21 0.00 0.00 61.69 59.51 1d2b s THR 26 Cb 0.01 -3.70 -0.02 0.00 -1.51 0.00 0.00 72.50 67.28 1d2b s THR 26 CO -0.03 -0.13 0.97 -2.16 -2.21 0.00 0.00 174.62 171.05 1d2b s PRO 27 N -3.35 4.43 -0.43 7.08 0.04 -1.24 -4.25 135.00 137.28 1d2b s PRO 27 Ca 0.34 1.33 -0.21 0.00 0.04 0.00 0.00 61.00 62.50 1d2b s PRO 27 Cb -0.11 -3.53 0.02 0.00 0.04 0.00 0.00 34.50 30.92 1d2b s PRO 27 CO 0.28 -0.27 0.67 -1.21 0.04 0.00 0.00 177.00 176.51 1d2b s GLU 28 N 1.85 3.35 -0.57 4.56 2.02 0.13 -4.86 118.70 125.18 1d2b s GLU 28 Ca 0.47 -0.28 -0.10 0.00 0.02 0.00 0.00 54.97 55.09 1d2b s GLU 28 Cb -0.18 -3.93 0.15 0.00 0.10 0.00 0.00 34.13 30.26 1d2b s GLU 28 CO 0.19 -1.00 0.46 0.08 0.02 0.00 0.00 175.26 175.01 1d2b s VAL 29 N 2.90 4.52 0.65 2.63 1.01 -1.26 -2.31 120.40 128.53 1d2b s VAL 29 Ca 0.24 -2.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.00 1d2b s VAL 29 Cb -0.14 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.31 1d2b s VAL 29 CO 0.19 -0.85 1.13 0.21 0.00 0.00 0.00 175.10 175.78 1d2b s ASN 30 N 2.38 5.09 0.00 3.32 2.47 -1.26 -4.90 114.94 122.05 1d2b s ASN 30 Ca 0.09 2.08 0.29 0.00 0.42 0.00 0.00 52.86 55.74 1d2b s ASN 30 Cb -0.23 -2.56 1.21 0.00 -1.45 0.00 0.00 41.25 38.22 1d2b s ASN 30 CO -0.02 -1.64 1.90 0.00 -3.72 0.00 0.00 177.10 173.61 1d2b n GLN 31 N -2.27 0.07 -2.79 0.43 1.13 -1.26 -3.93 117.38 108.76 1d2b n GLN 31 Ca 0.11 -0.01 -0.01 0.00 -1.94 0.00 0.00 57.00 55.15 1d2b n GLN 31 Cb 0.52 -1.50 0.06 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 -1.46 1.02 -0.07 5.09 -1.04 -1.26 -4.85 114.28 111.71 1d2b n THR 32 Ca 0.08 -2.61 -0.14 0.00 -2.04 0.00 0.00 64.05 59.33 1d2b n THR 32 Cb 0.33 1.18 -0.05 0.00 -1.82 0.00 0.00 70.33 69.97 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 -0.68 0.93 -0.05 12.58 5.66 -1.25 -4.98 114.28 126.49 1d2b n THR 33 Ca 0.03 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.90 1d2b n THR 33 Cb 0.82 -1.76 0.00 0.00 -1.55 0.00 0.00 70.33 67.83 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 -3.74 0.00 -4.09 1.09 4.77 -1.26 -4.90 117.00 108.87 1d2b n LEU 34 Ca -0.26 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.62 1d2b n LEU 34 Cb 0.64 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1d2b n LEU 34 CO 0.03 0.00 -0.13 -0.72 -1.33 0.00 0.00 177.39 175.25 1d2b s TYR 35 N -2.50 0.74 0.37 -1.77 1.13 -1.26 0.75 117.35 114.81 1d2b s TYR 35 Ca 0.00 -1.06 0.04 0.00 -1.41 0.00 0.00 57.07 54.64 1d2b s TYR 35 Cb 0.00 -0.28 -0.02 0.00 -1.10 0.00 0.00 41.96 40.56 1d2b s TYR 35 CO 0.00 -0.68 0.16 1.04 -2.51 0.00 0.00 175.55 173.55 1d2b n GLN 36 N -0.22 0.57 -3.91 -3.49 6.02 0.62 -4.09 117.38 112.89 1d2b n GLN 36 Ca -0.03 -3.21 -0.11 0.00 -0.01 0.00 0.00 57.00 53.64 1d2b n GLN 36 Cb 0.64 1.87 -0.11 0.00 1.02 0.00 0.00 30.24 33.66 1d2b n GLN 36 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1d2b s ARG 37 N -3.43 0.34 0.08 -1.09 1.70 -0.98 -2.22 118.95 113.37 1d2b s ARG 37 Ca 0.22 -0.38 0.05 0.00 -0.47 0.00 0.00 55.73 55.15 1d2b s ARG 37 Cb 0.01 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 1d2b s ARG 37 CO 0.16 -0.07 -0.14 0.71 -1.08 0.00 0.00 175.30 174.87 1d2b s TYR 38 N -1.14 1.26 -0.04 5.89 1.51 -0.78 0.23 117.35 124.28 1d2b s TYR 38 Ca -0.12 -0.49 -0.02 0.00 -1.01 0.00 0.00 57.07 55.42 1d2b s TYR 38 Cb -0.07 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1d2b s TYR 38 CO 0.00 0.08 0.10 -2.00 -1.11 0.00 0.00 175.55 172.61 1d2b s GLU 39 N -2.01 3.19 -0.11 -0.62 2.12 -1.26 -1.29 118.70 118.71 1d2b s GLU 39 Ca 0.01 -0.37 -0.09 0.00 0.36 0.00 0.00 54.97 54.87 1d2b s GLU 39 Cb -0.08 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.39 1d2b s GLU 39 CO 0.02 0.69 0.30 0.96 -0.54 0.00 0.00 175.26 176.69 1d2b s ILE 40 N -1.13 -0.01 -1.13 -3.70 -0.00 -0.33 -2.39 121.20 112.51 1d2b s ILE 40 Ca 0.20 0.03 -0.22 0.00 -0.00 0.00 0.00 60.65 60.66 1d2b s ILE 40 Cb -0.12 -0.42 -0.03 0.00 -0.00 0.00 0.00 42.46 41.88 1d2b s ILE 40 CO 0.11 0.01 1.85 -0.75 -0.00 0.00 0.00 174.94 176.15 1d2b s LYS 41 N 0.44 2.93 0.15 0.37 2.36 2.73 -4.75 119.74 123.96 1d2b s LYS 41 Ca -0.02 -1.14 -0.32 0.00 -2.55 0.00 0.00 55.97 51.94 1d2b s LYS 41 Cb -0.04 -5.28 -0.12 0.00 -1.05 0.00 0.00 37.83 31.35 1d2b s LYS 41 CO -0.02 -3.31 1.75 -0.12 1.55 0.00 0.00 175.35 175.20 1d2b n MET 42 N 8.50 2.62 -0.04 4.03 0.00 -1.26 0.60 117.12 131.58 1d2b n MET 42 Ca 0.43 0.95 -0.02 0.00 -0.00 0.00 0.00 57.70 59.06 1d2b n MET 42 Cb 0.47 -2.80 -0.01 0.00 0.00 0.00 0.00 33.22 30.88 1d2b n MET 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1d2b n THR 43 N 4.23 0.73 -3.70 1.12 -2.24 0.15 -4.86 114.28 109.71 1d2b n THR 43 Ca 0.17 0.35 -0.14 0.00 -2.27 0.00 0.00 64.05 62.17 1d2b n THR 43 Cb 0.34 -1.96 -0.08 0.00 -2.10 0.00 0.00 70.33 66.53 1d2b n THR 43 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1d2b s LYS 44 N -1.64 0.71 0.02 -0.78 1.02 -0.41 -5.01 119.74 113.65 1d2b s LYS 44 Ca -0.08 0.14 -0.15 0.00 0.02 0.00 0.00 55.97 55.90 1d2b s LYS 44 Cb 0.01 0.33 -0.06 0.00 -0.52 0.00 0.00 37.83 37.59 1d2b s LYS 44 CO 0.11 -0.18 0.44 0.00 -0.92 0.00 0.00 175.35 174.80 1d2b s MET 45 N -0.83 3.96 -0.10 1.68 0.23 -1.26 0.23 119.30 123.21 1d2b s MET 45 Ca -0.09 0.46 0.14 0.00 -1.03 0.00 0.00 55.69 55.17 1d2b s MET 45 Cb -0.04 -3.21 0.22 0.00 -1.53 0.00 0.00 34.83 30.26 1d2b s MET 45 CO 0.04 0.68 1.11 0.66 -2.03 0.00 0.00 175.02 175.48 1d2b n TYR 46 N 1.77 0.00 0.00 3.16 4.01 0.17 -4.90 117.16 121.36 1d2b n TYR 46 Ca -0.13 -0.86 0.00 0.00 -0.16 0.00 0.00 57.90 56.75 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 -1.18 0.00 0.00 -0.72 0.00 -0.11 -4.78 118.16 111.37 1d2b n LYS 47 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.43 1d2b n LYS 47 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.58 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 -0.37 0.35 3.14 0.00 -1.26 -1.17 105.19 105.87 1d2b n GLY 48 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.92 -0.93 1.61 0.04 -1.93 1.00 116.94 115.81 1d2b h PHE 49 Ca 0.00 0.08 0.23 0.00 2.80 0.00 0.00 57.97 61.07 1d2b h PHE 49 Cb 0.00 0.50 -0.06 0.00 2.20 0.00 0.00 35.95 38.58 1d2b h PHE 49 CO 0.00 -0.38 0.62 -0.56 -0.60 0.00 0.00 178.31 177.39 1d2b h GLN 50 N -0.14 0.29 -0.03 1.51 3.07 -1.98 0.35 115.11 118.19 1d2b h GLN 50 Ca 0.25 -0.02 -0.10 0.00 0.09 0.00 0.00 58.65 58.87 1d2b h GLN 50 Cb 0.56 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 28.06 1d2b h GLN 50 CO -0.72 0.20 -0.38 0.00 0.09 0.00 0.00 178.83 178.01 1d2b h ALA 51 N 1.59 0.09 -3.00 0.06 0.00 0.30 -3.47 119.26 114.84 1d2b h ALA 51 Ca 0.48 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d2b h ALA 51 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1d2b h ALA 51 CO -0.15 0.21 0.00 1.47 0.00 0.00 0.00 179.25 180.78 1d2b n LEU 52 N -4.38 0.00 0.00 0.00 -0.00 0.22 -5.06 117.00 107.77 1d2b n LEU 52 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1d2b n LEU 52 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1d2b n LEU 52 CO 0.43 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.43 1d2b n GLY 53 N 0.82 1.14 0.00 1.47 0.00 -1.18 -4.62 105.19 102.83 1d2b n GLY 53 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d2b n GLY 53 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d2b n ASP 54 N 0.00 0.00 0.00 1.61 -0.08 -1.26 -5.02 116.55 111.80 1d2b n ASP 54 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1d2b n ASP 54 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1d2b n ALA 55 N -3.00 1.75 -3.72 -1.67 0.00 -1.26 -5.02 120.51 107.58 1d2b n ALA 55 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 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 n ALA 56 N -2.52 3.67 -1.17 0.00 0.00 -1.26 -4.71 120.51 114.53 1d2b n ALA 56 Ca 0.00 -4.63 0.08 0.00 0.00 0.00 0.00 53.44 48.89 1d2b n ALA 56 Cb 0.00 -0.99 0.18 0.00 0.00 0.00 0.00 19.45 18.64 1d2b n ALA 56 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1d2b n ASP 57 N 1.54 2.54 -3.08 0.00 9.92 -1.26 -4.84 116.55 121.37 1d2b n ASP 57 Ca 0.24 -3.25 -0.14 0.00 -0.53 0.00 0.00 54.79 51.10 1d2b n ASP 57 Cb 0.37 -0.48 -0.04 0.00 -0.64 0.00 0.00 41.12 40.33 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1d2b s ILE 58 N -2.95 -0.42 -1.23 0.53 1.01 -1.26 -5.00 121.20 111.88 1d2b s ILE 58 Ca 0.36 -1.59 0.10 0.00 0.00 0.00 0.00 60.65 59.51 1d2b s ILE 58 Cb 0.31 -0.54 0.07 0.00 0.01 0.00 0.00 42.46 42.31 1d2b s ILE 58 CO 0.02 -0.53 0.80 0.54 0.00 0.00 0.00 174.94 175.77 1d2b n ARG 59 N 3.09 0.51 -3.81 2.79 1.74 -1.26 -4.71 116.66 115.01 1d2b n ARG 59 Ca 0.22 -1.06 -0.12 0.00 -0.77 0.00 0.00 57.85 56.11 1d2b n ARG 59 Cb 0.52 -1.18 -0.11 0.00 -1.02 0.00 0.00 32.46 30.67 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 -0.87 -0.17 -0.20 -1.55 0.40 -1.26 -1.19 117.98 113.15 1d2b s PHE 60 Ca 0.11 0.38 -0.03 0.00 -0.60 0.00 0.00 56.93 56.79 1d2b s PHE 60 Cb 0.08 0.05 -0.01 0.00 0.51 0.00 0.00 43.02 43.66 1d2b s PHE 60 CO 0.13 -0.19 -0.06 0.14 0.70 0.00 0.00 175.22 175.94 1d2b s VAL 61 N -0.43 3.31 -0.37 -0.44 -7.23 -0.41 -4.12 120.40 110.70 1d2b s VAL 61 Ca -0.05 -0.53 -0.08 0.00 -1.81 0.00 0.00 61.98 59.51 1d2b s VAL 61 Cb -0.04 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.48 1d2b s VAL 61 CO 0.01 0.45 0.18 -0.31 -0.31 0.00 0.00 175.10 175.12 1d2b s TYR 62 N 1.20 3.28 0.16 2.82 1.51 0.47 -1.86 117.35 124.93 1d2b s TYR 62 Ca 0.02 -1.36 0.10 0.00 -1.01 0.00 0.00 57.07 54.83 1d2b s TYR 62 Cb -0.14 -2.53 -0.04 0.00 -0.11 0.00 0.00 41.96 39.13 1d2b s TYR 62 CO -0.02 -0.75 -0.22 -0.08 -1.11 0.00 0.00 175.55 173.37 1d2b s THR 63 N 1.44 2.07 0.35 -0.71 -1.32 -0.94 -3.10 115.64 113.43 1d2b s THR 63 Ca 0.01 -1.86 -0.29 0.00 -1.21 0.00 0.00 61.69 58.34 1d2b s THR 63 Cb -0.20 -1.92 -0.11 0.00 -1.51 0.00 0.00 72.50 68.76 1d2b s THR 63 CO 0.03 -0.12 1.51 -2.84 -2.21 0.00 0.00 174.62 170.99 1d2b s PRO 64 N -2.45 4.13 -0.48 7.08 0.02 -1.25 0.23 135.00 142.27 1d2b s PRO 64 Ca 0.15 2.55 -0.13 0.00 0.02 0.00 0.00 61.00 63.60 1d2b s PRO 64 Cb -0.08 -2.99 0.10 0.00 0.02 0.00 0.00 34.50 31.55 1d2b s PRO 64 CO 0.07 -0.54 0.38 0.00 -0.33 0.00 0.00 177.00 176.58 1d2b s ALA 65 N -0.79 3.48 0.22 -1.55 0.00 3.79 -3.71 121.76 123.19 1d2b s ALA 65 Ca 0.56 -2.34 -0.05 0.00 0.00 0.00 0.00 51.96 50.13 1d2b s ALA 65 Cb -0.46 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1d2b s ALA 65 CO 0.58 -1.83 0.24 1.41 0.00 0.00 0.00 175.76 176.16 1d2b s MET 66 N 1.51 1.32 -0.00 0.00 1.75 -1.26 -4.07 119.30 118.54 1d2b s MET 66 Ca 0.04 -1.52 -0.25 0.00 -1.25 0.00 0.00 55.69 52.71 1d2b s MET 66 Cb -0.26 0.33 -0.18 0.00 2.84 0.00 0.00 34.83 37.56 1d2b s MET 66 CO 0.03 -0.47 1.28 0.93 -0.65 0.00 0.00 175.02 176.13 1d2b h GLU 67 N 2.50 -0.15 -0.70 4.11 3.07 -2.00 -3.26 114.58 118.15 1d2b h GLU 67 Ca -0.33 0.01 -0.35 0.00 -0.50 0.00 0.00 59.36 58.20 1d2b h GLU 67 Cb 1.25 0.03 -0.21 0.00 -0.84 0.00 0.00 28.75 28.99 1d2b h GLU 67 CO 0.47 0.22 0.32 0.43 -1.40 0.00 0.00 179.01 179.05 1d2b n SER 68 N -4.98 3.34 -4.21 1.42 7.64 -1.26 -4.99 113.62 110.58 1d2b n SER 68 Ca -0.09 -3.63 -0.28 0.00 1.01 0.00 0.00 58.87 55.89 1d2b n SER 68 Cb 0.23 -0.74 0.18 0.00 -1.01 0.00 0.00 64.21 62.86 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1d2b s VAL 69 N -3.24 2.01 -0.16 0.44 0.11 -1.23 -4.39 120.40 113.93 1d2b s VAL 69 Ca 0.52 -0.23 -0.14 0.00 -2.93 0.00 0.00 61.98 59.20 1d2b s VAL 69 Cb 0.44 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 32.47 1d2b s VAL 69 CO 0.07 0.00 -0.28 0.00 -3.33 0.00 0.00 175.10 171.56 1d2b n GLY 71 N 1.52 1.64 2.80 0.00 0.00 -1.24 -4.00 105.19 105.91 1d2b n GLY 71 Ca -0.11 0.25 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 1d2b n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1d2b s TYR 72 N 0.00 -1.14 -0.71 1.61 6.14 -1.26 -3.18 117.35 118.82 1d2b s TYR 72 Ca 0.00 -0.26 -0.26 0.00 0.64 0.00 0.00 57.07 57.19 1d2b s TYR 72 Cb 0.00 0.22 -0.04 0.00 0.42 0.00 0.00 41.96 42.56 1d2b s TYR 72 CO 0.00 -0.87 1.98 -0.06 0.64 0.00 0.00 175.55 177.24 1d2b s PHE 73 N 1.14 1.61 -0.60 4.97 0.40 -1.26 -4.89 117.98 119.35 1d2b s PHE 73 Ca 0.25 0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 57.31 1d2b s PHE 73 Cb 0.04 -3.98 0.13 0.00 0.51 0.00 0.00 43.02 39.72 1d2b s PHE 73 CO -0.08 -2.09 0.62 -1.58 0.70 0.00 0.00 175.22 172.78 1d2b s HIS 74 N 10.13 3.23 -0.22 0.36 5.65 -1.26 -4.85 115.29 128.33 1d2b s HIS 74 Ca 0.73 -1.27 0.13 0.00 0.25 0.00 0.00 55.06 54.90 1d2b s HIS 74 Cb -0.11 -3.89 0.50 0.00 -1.18 0.00 0.00 32.58 27.90 1d2b s HIS 74 CO 0.13 -1.12 1.42 2.89 -0.65 0.00 0.00 174.74 177.41 1d2b n ARG 75 N 5.48 2.28 -3.17 2.88 1.85 -1.26 -4.87 116.66 119.84 1d2b n ARG 75 Ca -0.08 -2.97 -0.45 0.00 -1.00 0.00 0.00 57.85 53.35 1d2b n ARG 75 Cb 0.42 -1.80 -0.00 0.00 -1.05 0.00 0.00 32.46 30.03 1d2b n ARG 75 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 1d2b s SER 76 N -2.30 7.17 0.51 2.89 0.01 -1.26 -4.86 113.70 115.87 1d2b s SER 76 Ca 0.42 -3.26 0.37 0.00 1.31 0.00 0.00 55.95 54.80 1d2b s SER 76 Cb 0.36 -2.29 1.53 0.00 0.21 0.00 0.00 66.02 65.84 1d2b s SER 76 CO 0.04 -0.51 1.71 0.45 0.41 0.00 0.00 173.24 175.34 1d2b h HIS 77 N 7.00 0.16 -1.97 2.43 3.86 -2.00 -3.38 115.15 121.24 1d2b h HIS 77 Ca 0.23 0.01 -0.52 0.00 -1.16 0.00 0.00 60.37 58.92 1d2b h HIS 77 Cb 0.89 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1d2b h HIS 77 CO 0.92 -0.03 1.48 1.21 0.86 0.00 0.00 177.93 182.37 1d2b s ASN 78 N -4.72 5.10 0.18 2.45 3.84 -1.26 -4.81 114.94 115.72 1d2b s ASN 78 Ca -0.06 1.15 0.26 0.00 0.21 0.00 0.00 52.86 54.42 1d2b s ASN 78 Cb 0.25 -2.51 0.73 0.00 -0.55 0.00 0.00 41.25 39.17 1d2b s ASN 78 CO 0.83 -2.36 1.69 -2.11 -2.79 0.00 0.00 177.10 172.36 1d2b n ARG 79 N 8.89 0.26 -0.19 0.43 1.85 -1.26 -2.77 116.66 123.85 1d2b n ARG 79 Ca 0.29 0.18 0.10 0.00 -1.00 0.00 0.00 57.85 57.42 1d2b n ARG 79 Cb 0.51 -1.77 0.27 0.00 -1.05 0.00 0.00 32.46 30.42 1d2b n ARG 79 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1d2b n SER 80 N -2.19 2.71 -4.61 2.89 3.41 -1.26 -4.42 113.62 110.14 1d2b n SER 80 Ca 0.05 -1.92 -0.41 0.00 -0.26 0.00 0.00 58.87 56.34 1d2b n SER 80 Cb 0.43 -0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.49 4.01 0.20 4.33 -6.30 -1.12 -5.03 118.70 113.30 1d2b s GLU 81 Ca 0.36 0.40 -0.30 0.00 -2.50 0.00 0.00 54.97 52.92 1d2b s GLU 81 Cb 0.20 -3.69 -0.09 0.00 0.00 0.00 0.00 34.13 30.55 1d2b s GLU 81 CO 0.27 -0.48 1.31 -1.21 0.02 0.00 0.00 175.26 175.17 1d2b s GLU 82 N 2.53 4.39 0.48 4.30 2.02 -1.26 -4.47 118.70 126.69 1d2b s GLU 82 Ca 0.25 2.05 0.06 0.00 0.02 0.00 0.00 54.97 57.35 1d2b s GLU 82 Cb -0.15 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.88 1d2b s GLU 82 CO 0.10 -0.25 0.33 -0.06 0.02 0.00 0.00 175.26 175.40 1d2b s PHE 83 N 0.10 2.13 -0.11 1.61 0.40 0.53 -3.62 117.98 119.02 1d2b s PHE 83 Ca 0.56 -0.70 0.02 0.00 -0.60 0.00 0.00 56.93 56.22 1d2b s PHE 83 Cb -0.36 -1.98 0.01 0.00 0.51 0.00 0.00 43.02 41.20 1d2b s PHE 83 CO 0.38 -0.20 -0.16 -1.17 0.70 0.00 0.00 175.22 174.76 1d2b s LEU 84 N -4.14 1.78 -0.25 -0.37 1.98 0.57 -1.93 118.68 116.33 1d2b s LEU 84 Ca 0.38 -0.45 -0.00 0.00 -2.89 0.00 0.00 54.13 51.17 1d2b s LEU 84 Cb -0.01 -1.13 0.07 0.00 0.66 0.00 0.00 46.19 45.79 1d2b s LEU 84 CO 0.22 0.03 0.02 -0.63 -1.89 0.00 0.00 176.35 174.11 1d2b s ILE 85 N 0.89 1.11 -0.33 6.68 1.01 0.12 -1.95 121.20 128.73 1d2b s ILE 85 Ca -0.08 -1.17 -0.17 0.00 0.00 0.00 0.00 60.65 59.23 1d2b s ILE 85 Cb -0.15 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.70 1d2b s ILE 85 CO -0.00 -0.34 0.47 0.00 0.00 0.00 0.00 174.94 175.07 1d2b s ALA 86 N 1.55 3.50 -0.28 9.38 0.00 0.54 -0.33 121.76 136.13 1d2b s ALA 86 Ca 0.01 -0.98 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 1d2b s ALA 86 Cb -0.18 -2.93 0.10 0.00 0.00 0.00 0.00 23.12 20.11 1d2b s ALA 86 CO -0.12 -1.08 0.84 0.20 0.00 0.00 0.00 175.76 175.59 1d2b s GLY 87 N 1.72 -0.37 1.00 0.00 0.00 0.66 -4.31 107.32 106.03 1d2b s GLY 87 Ca 0.17 2.49 -0.16 0.00 0.00 0.00 0.00 44.72 47.23 1d2b s GLY 87 CO 0.12 2.08 1.21 1.25 0.00 0.00 0.00 173.10 177.76 1d2b s LYS 88 N 0.81 0.37 0.00 2.90 2.36 -1.04 0.23 119.74 125.39 1d2b s LYS 88 Ca -0.03 -0.11 0.03 0.00 -2.55 0.00 0.00 55.97 53.31 1d2b s LYS 88 Cb -0.05 -1.79 -0.03 0.00 -1.05 0.00 0.00 37.83 34.91 1d2b s LYS 88 CO -0.09 -2.64 -0.07 -0.51 1.55 0.00 0.00 175.35 173.59 1d2b s LEU 89 N -6.18 3.18 -0.23 5.43 1.43 -1.26 0.29 118.68 121.35 1d2b s LEU 89 Ca 0.70 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 1d2b s LEU 89 Cb -0.09 -1.82 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1d2b s LEU 89 CO 0.54 0.28 -0.06 -1.58 0.23 0.00 0.00 176.35 175.76 1d2b s GLN 90 N -1.43 1.68 -0.30 1.70 2.00 0.31 -4.81 119.66 118.81 1d2b s GLN 90 Ca 0.17 -0.97 -0.04 0.00 -2.00 0.00 0.00 55.36 52.52 1d2b s GLN 90 Cb -0.11 -2.56 0.04 0.00 0.80 0.00 0.00 33.01 31.17 1d2b s GLN 90 CO 0.08 -0.57 0.10 -0.25 -0.50 0.00 0.00 175.29 174.14 1d2b n ASP 91 N 4.67 -1.10 0.00 6.67 8.00 -1.26 -0.32 116.55 133.21 1d2b n ASP 91 Ca -0.12 0.21 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1d2b n ASP 91 Cb 0.44 -1.07 0.00 0.00 -0.02 0.00 0.00 41.12 40.48 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 -0.58 1.24 3.33 0.44 0.00 -1.26 -5.11 105.19 103.25 1d2b n GLY 92 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 2.25 0.68 0.99 2.01 0.56 -5.09 118.68 120.08 1d2b s LEU 93 Ca 0.00 -0.65 -0.14 0.00 0.01 0.00 0.00 54.13 53.34 1d2b s LEU 93 Cb 0.00 -1.13 0.01 0.00 0.01 0.00 0.00 46.19 45.08 1d2b s LEU 93 CO 0.00 0.18 1.11 -0.22 1.01 0.00 0.00 176.35 178.43 1d2b s LEU 94 N -1.65 3.32 -0.03 1.79 2.96 -1.26 0.11 118.68 123.93 1d2b s LEU 94 Ca 0.11 2.00 -0.03 0.00 -0.22 0.00 0.00 54.13 55.98 1d2b s LEU 94 Cb -0.10 -4.55 0.01 0.00 0.50 0.00 0.00 46.19 42.05 1d2b s LEU 94 CO 0.04 -1.76 0.09 -1.00 -1.32 0.00 0.00 176.35 172.40 1d2b s HIS 95 N -2.41 -0.08 0.31 5.38 3.76 0.15 -0.39 115.29 122.01 1d2b s HIS 95 Ca 0.67 0.20 -0.15 0.00 -0.15 0.00 0.00 55.06 55.62 1d2b s HIS 95 Cb -0.21 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.53 1d2b s HIS 95 CO 0.44 -0.07 0.65 0.96 -0.85 0.00 0.00 174.74 175.87 1d2b s ILE 96 N -0.10 0.00 0.19 0.60 -0.00 -1.18 -2.48 121.20 118.23 1d2b s ILE 96 Ca -0.02 -1.18 -0.20 0.00 -0.00 0.00 0.00 60.65 59.25 1d2b s ILE 96 Cb -0.01 -2.38 0.05 0.00 -0.00 0.00 0.00 42.46 40.11 1d2b s ILE 96 CO 0.00 0.00 0.58 0.42 -0.00 0.00 0.00 174.94 175.94 1d2b s THR 97 N -3.39 0.01 -2.00 8.37 -4.23 -1.23 -4.29 115.64 108.88 1d2b s THR 97 Ca 0.18 -0.45 0.09 0.00 -1.18 0.00 0.00 61.69 60.32 1d2b s THR 97 Cb -0.04 -1.36 0.25 0.00 1.34 0.00 0.00 72.50 72.69 1d2b s THR 97 CO 0.10 -0.06 0.94 0.35 -0.54 0.00 0.00 174.62 175.42 1d2b n THR 98 N -0.37 0.00 -1.23 3.99 -2.24 -1.19 -0.75 114.28 112.49 1d2b n THR 98 Ca -0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1d2b n THR 98 Cb 0.63 -0.70 0.13 0.00 -2.10 0.00 0.00 70.33 68.29 1d2b n THR 98 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1d2b s SER 100 N -2.66 4.21 -0.44 0.00 0.01 0.07 -4.63 113.70 110.27 1d2b s SER 100 Ca 0.28 -0.44 -0.27 0.00 1.31 0.00 0.00 55.95 56.84 1d2b s SER 100 Cb 0.25 -0.74 -0.07 0.00 0.21 0.00 0.00 66.02 65.68 1d2b s SER 100 CO 0.02 0.18 2.38 0.33 0.41 0.00 0.00 173.24 176.56 1d2b n PHE 101 N 0.77 1.53 -3.36 2.43 -0.00 -1.26 -4.79 117.46 112.79 1d2b n PHE 101 Ca -0.14 0.07 -0.11 0.00 -0.00 0.00 0.00 57.45 57.27 1d2b n PHE 101 Cb 0.52 -2.66 -0.08 0.00 -0.00 0.00 0.00 39.48 37.27 1d2b n PHE 101 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1d2b s VAL 102 N 11.42 -0.56 0.29 -2.13 1.01 -1.26 -0.34 120.40 128.83 1d2b s VAL 102 Ca 0.99 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 62.56 1d2b s VAL 102 Cb -0.22 -0.88 0.04 0.00 0.00 0.00 0.00 36.38 35.32 1d2b s VAL 102 CO 0.28 -0.23 0.78 0.00 0.00 0.00 0.00 175.10 175.93 1d2b s ALA 103 N 2.50 -1.18 -0.21 5.51 0.00 -0.82 -4.98 121.76 122.58 1d2b s ALA 103 Ca 0.11 -0.36 -0.34 0.00 0.00 0.00 0.00 51.96 51.36 1d2b s ALA 103 Cb -0.14 0.78 -0.11 0.00 0.00 0.00 0.00 23.12 23.64 1d2b s ALA 103 CO -0.22 -1.03 2.01 -2.30 0.00 0.00 0.00 175.76 174.21 1d2b n PRO 104 N -0.49 1.69 -0.28 0.00 -0.02 -1.26 -0.31 135.00 134.33 1d2b n PRO 104 Ca -0.05 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 62.02 1d2b n PRO 104 Cb 0.59 -2.60 0.10 0.00 -0.02 0.00 0.00 33.50 31.57 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 10.71 -0.44 0.00 6.00 2.91 -1.74 0.75 115.95 134.14 1d2b h TRP 105 Ca -0.41 0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.68 1d2b h TRP 105 Cb 1.29 0.32 0.00 0.00 -0.51 0.00 0.00 29.16 30.26 1d2b h TRP 105 CO 0.90 -0.35 0.00 0.09 -1.03 0.00 0.00 178.44 178.05 1d2b n ASN 106 N -5.52 0.42 0.00 2.65 3.02 -1.26 -0.28 115.26 114.29 1d2b n ASN 106 Ca 0.11 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1d2b n ASN 106 Cb 0.40 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 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 0.54 0.05 -3.27 6.41 2.88 0.26 -5.08 113.62 115.41 1d2b n SER 107 Ca 0.00 -0.38 -0.17 0.00 -1.33 0.00 0.00 58.87 56.99 1d2b n SER 107 Cb 0.08 0.62 0.11 0.00 -0.75 0.00 0.00 64.21 64.27 1d2b n SER 107 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1d2b n LEU 108 N -0.62 0.00 -4.59 2.46 4.32 0.62 -5.04 117.00 114.16 1d2b n LEU 108 Ca 0.00 -1.00 -0.42 0.00 -0.02 0.00 0.00 56.01 54.57 1d2b n LEU 108 Cb 0.01 -0.57 -0.06 0.00 -1.62 0.00 0.00 43.42 41.18 1d2b n LEU 108 CO 0.00 -1.01 0.47 -0.44 -1.22 0.00 0.00 177.39 175.19 1d2b s SER 109 N -3.86 6.51 0.43 -1.43 0.01 -1.26 -4.92 113.70 109.17 1d2b s SER 109 Ca 0.45 0.33 0.39 0.00 1.31 0.00 0.00 55.95 58.43 1d2b s SER 109 Cb -0.01 -2.36 1.35 0.00 0.21 0.00 0.00 66.02 65.21 1d2b s SER 109 CO 0.31 -0.62 1.22 0.00 0.41 0.00 0.00 173.24 174.56 1d2b n LEU 110 N 6.16 0.01 0.07 2.44 -0.00 -1.26 0.47 117.00 124.88 1d2b n LEU 110 Ca 0.01 0.80 -0.16 0.00 -0.00 0.00 0.00 56.01 56.66 1d2b n LEU 110 Cb 0.48 -0.40 -0.14 0.00 -0.00 0.00 0.00 43.42 43.36 1d2b n LEU 110 CO 0.50 -0.81 -0.29 0.00 -0.00 0.00 0.00 177.39 176.79 1d2b h ALA 111 N 0.81 0.27 -0.01 1.47 0.00 -2.00 -3.17 119.26 116.63 1d2b h ALA 111 Ca 0.74 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1d2b h ALA 111 Cb 2.93 0.24 0.00 0.00 0.00 0.00 0.00 17.79 20.96 1d2b h ALA 111 CO -0.03 1.14 -0.14 0.94 0.00 0.00 0.00 179.25 181.16 1d2b n GLN 112 N -3.45 0.78 0.02 0.00 7.27 1.69 0.33 117.38 124.01 1d2b n GLN 112 Ca -0.15 -0.33 -0.15 0.00 0.07 0.00 0.00 57.00 56.44 1d2b n GLN 112 Cb 1.04 -1.49 -0.05 0.00 2.41 0.00 0.00 30.24 32.15 1d2b n GLN 112 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1d2b h ARG 113 N 0.80 0.64 0.05 3.69 -0.00 0.32 0.25 114.38 120.13 1d2b h ARG 113 Ca 0.00 -0.56 -0.07 0.00 -0.50 0.00 0.00 59.98 58.85 1d2b h ARG 113 Cb 0.39 0.13 0.01 0.00 0.00 0.00 0.00 29.97 30.50 1d2b h ARG 113 CO 0.00 1.17 -0.31 0.07 0.00 0.00 0.00 179.97 180.90 1d2b h ARG 114 N 0.42 0.13 -0.90 0.04 -0.00 -1.37 -3.22 114.38 109.49 1d2b h ARG 114 Ca -0.06 -0.20 0.25 0.00 -0.00 0.00 0.00 59.98 59.97 1d2b h ARG 114 Cb 1.44 0.07 -0.15 0.00 -0.00 0.00 0.00 29.97 31.33 1d2b h ARG 114 CO 0.16 1.07 0.23 0.78 -0.00 0.00 0.00 179.97 182.21 1d2b h GLY 115 N -0.71 1.40 2.00 0.08 0.00 -0.06 1.83 103.07 107.62 1d2b h GLY 115 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1d2b h GLY 115 CO 0.06 -0.41 0.00 0.69 0.00 0.00 0.00 176.54 176.88 1d2b n PHE 116 N -5.25 0.62 0.04 5.60 3.01 0.07 0.16 117.46 121.71 1d2b n PHE 116 Ca 0.22 0.20 0.07 0.00 1.01 0.00 0.00 57.45 58.96 1d2b n PHE 116 Cb 0.72 -0.83 -0.09 0.00 -0.01 0.00 0.00 39.48 39.28 1d2b n PHE 116 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1d2b n THR 117 N -2.03 0.59 0.00 4.37 5.66 0.55 -4.76 114.28 118.66 1d2b n THR 117 Ca 0.05 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1d2b n THR 117 Cb 0.34 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 68.80 1d2b n THR 117 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1d2b n LYS 118 N -2.59 0.03 -0.00 1.09 4.81 0.28 -5.00 118.16 116.78 1d2b n LYS 118 Ca -0.06 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.48 1d2b n LYS 118 Cb 0.67 -0.51 -0.14 0.00 0.02 0.00 0.00 35.03 35.06 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1d2b n THR 119 N -1.24 0.00 0.03 3.15 -1.04 0.43 -4.69 114.28 110.91 1d2b n THR 119 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1d2b n THR 119 Cb 0.01 0.65 -0.09 0.00 -1.82 0.00 0.00 70.33 69.09 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 -1.76 0.92 -0.06 -1.42 4.02 0.34 -1.98 117.16 117.22 1d2b n TYR 120 Ca 0.01 0.30 -0.04 0.00 -0.01 0.00 0.00 57.90 58.17 1d2b n TYR 120 Cb 0.41 -1.06 -0.03 0.00 -0.02 0.00 0.00 39.34 38.63 1d2b n TYR 120 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 176.86 177.64 1d2b h THR 121 N 0.00 0.00 0.00 -0.72 1.35 -1.83 5.52 112.91 117.23 1d2b h THR 121 Ca -0.17 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.62 1d2b h THR 121 Cb 1.57 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1d2b h THR 121 CO 0.04 0.00 -0.50 0.58 -0.25 0.00 0.00 175.52 175.39 1d2b h VAL 122 N -0.09 0.50 -0.26 6.82 2.07 -1.90 -3.31 116.25 120.08 1d2b h VAL 122 Ca 0.03 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.81 1d2b h VAL 122 Cb 0.17 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1d2b h VAL 122 CO -0.21 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1d2b n GLY 123 N 1.20 3.56 0.42 2.17 0.00 -0.84 -4.73 105.19 106.98 1d2b n GLY 123 Ca 0.01 -0.74 0.36 0.00 0.00 0.00 0.00 46.02 45.65 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b n GLU 125 N -4.91 0.00 0.00 0.00 0.28 -1.26 -2.38 120.64 112.37 1d2b n GLU 125 Ca 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.39 1d2b n GLU 125 Cb 1.42 -0.89 0.00 0.00 1.43 0.00 0.00 31.44 33.40 1d2b n GLU 125 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12