#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 -0.05 -3.06 0.00 -2.24 -1.26 -4.59 114.28 103.08 1d2b n THR 2 Ca 0.00 -0.64 -0.07 0.00 -2.27 0.00 0.00 64.05 61.07 1d2b n THR 2 Cb 0.00 -2.28 0.02 0.00 -2.10 0.00 0.00 70.33 65.97 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 -0.30 5.33 -0.47 0.00 0.11 -1.26 -4.70 120.40 119.11 1d2b s VAL 4 Ca 0.20 -0.01 -0.43 0.00 -2.93 0.00 0.00 61.98 58.82 1d2b s VAL 4 Cb -0.02 -3.58 -0.18 0.00 -1.53 0.00 0.00 36.38 31.08 1d2b s VAL 4 CO 0.13 0.28 2.12 -2.65 -3.33 0.00 0.00 175.10 171.65 1d2b n PRO 5 N 0.82 0.18 -2.88 1.54 -0.02 -1.26 -4.89 135.00 128.50 1d2b n PRO 5 Ca -0.09 0.05 -0.40 0.00 -2.02 0.00 0.00 63.50 61.04 1d2b n PRO 5 Cb 0.52 -1.66 -0.05 0.00 -0.02 0.00 0.00 33.50 32.30 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 5.89 4.59 -0.10 0.52 0.05 -1.26 -4.94 135.00 139.75 1d2b s PRO 6 Ca 1.18 1.23 -0.19 0.00 0.05 0.00 0.00 61.00 63.26 1d2b s PRO 6 Cb -1.39 -3.36 -0.09 0.00 0.05 0.00 0.00 34.50 29.71 1d2b s PRO 6 CO 0.64 0.29 0.58 -2.39 0.05 0.00 0.00 177.00 176.17 1d2b n HIS 7 N 2.67 0.50 0.49 0.56 1.44 -1.26 -4.41 115.22 115.21 1d2b n HIS 7 Ca -0.01 0.49 0.06 0.00 -2.01 0.00 0.00 57.72 56.26 1d2b n HIS 7 Cb 0.50 -0.96 0.29 0.00 0.12 0.00 0.00 29.99 29.94 1d2b n HIS 7 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1d2b n PRO 8 N 1.15 0.04 0.09 -1.40 -0.04 -1.26 0.30 135.00 133.89 1d2b n PRO 8 Ca 0.11 0.25 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 1d2b n PRO 8 Cb 0.01 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.10 1d2b n PRO 8 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1d2b h GLN 9 N 0.00 0.20 0.04 0.54 3.07 -1.86 0.74 115.11 117.84 1d2b h GLN 9 Ca 0.00 -0.14 -0.33 0.00 0.09 0.00 0.00 58.65 58.27 1d2b h GLN 9 Cb 0.20 0.02 -0.04 0.00 0.08 0.00 0.00 27.48 27.74 1d2b h GLN 9 CO 0.00 0.75 -1.84 2.41 0.09 0.00 0.00 178.83 180.24 1d2b n THR 10 N -3.86 1.60 -0.27 1.86 -1.04 -0.44 -3.39 114.28 108.75 1d2b n THR 10 Ca -0.02 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.05 61.65 1d2b n THR 10 Cb 0.62 -1.86 0.12 0.00 -1.82 0.00 0.00 70.33 67.39 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 -0.36 1.03 0.19 2.41 0.00 -0.15 0.75 119.26 123.12 1d2b h ALA 11 Ca -0.46 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1d2b h ALA 11 Cb 1.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.25 1d2b h ALA 11 CO -0.15 0.16 -0.09 0.35 0.00 0.00 0.00 179.25 179.52 1d2b h PHE 12 N 0.83 -0.24 0.00 0.00 3.04 0.32 -2.43 116.94 118.45 1d2b h PHE 12 Ca 0.34 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.28 1d2b h PHE 12 Cb 0.18 0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1d2b h PHE 12 CO -0.05 -0.15 0.00 0.00 -2.02 0.00 0.00 178.31 176.09 1d2b n ASN 14 N -2.96 0.78 -4.77 0.00 3.02 0.26 -4.94 115.26 106.65 1d2b n ASN 14 Ca -0.03 0.07 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 1d2b n ASN 14 Cb 0.06 0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1d2b n ASN 14 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1d2b s SER 15 N -5.96 6.44 0.00 6.41 0.01 -0.92 -4.95 113.70 114.73 1d2b s SER 15 Ca -0.15 2.30 0.22 0.00 1.31 0.00 0.00 55.95 59.62 1d2b s SER 15 Cb 0.07 -2.61 0.52 0.00 0.21 0.00 0.00 66.02 64.21 1d2b s SER 15 CO 0.77 -0.73 1.44 0.47 0.41 0.00 0.00 173.24 175.61 1d2b n ASP 16 N -0.12 3.64 -3.46 2.44 8.00 0.45 -4.81 116.55 122.69 1d2b n ASP 16 Ca 0.05 -1.98 -0.05 0.00 0.71 0.00 0.00 54.79 53.52 1d2b n ASP 16 Cb 0.47 -0.36 -0.06 0.00 -0.02 0.00 0.00 41.12 41.15 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 -1.19 -0.87 -0.07 0.64 1.43 0.63 -4.40 118.68 114.85 1d2b s LEU 17 Ca 0.42 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.33 1d2b s LEU 17 Cb 0.23 1.59 0.03 0.00 0.03 0.00 0.00 46.19 48.07 1d2b s LEU 17 CO 0.31 -0.26 0.01 -0.69 0.23 0.00 0.00 176.35 175.95 1d2b s VAL 18 N 2.69 0.33 0.00 -1.59 1.01 -0.74 0.24 120.40 122.33 1d2b s VAL 18 Ca 0.07 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1d2b s VAL 18 Cb -0.14 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.75 1d2b s VAL 18 CO -0.16 0.25 0.00 2.30 0.00 0.00 0.00 175.10 177.49 1d2b n ILE 19 N 5.13 0.00 -4.17 2.22 -6.64 -0.23 0.16 119.36 115.82 1d2b n ILE 19 Ca -0.07 0.00 -0.20 0.00 -1.77 0.00 0.00 62.75 60.71 1d2b n ILE 19 Cb 0.50 0.00 -0.16 0.00 -1.44 0.00 0.00 39.64 38.54 1d2b n ILE 19 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1d2b s ARG 20 N -1.58 0.82 0.32 6.28 1.70 0.45 -1.31 118.95 125.63 1d2b s ARG 20 Ca 0.00 -0.11 -0.12 0.00 -0.47 0.00 0.00 55.73 55.03 1d2b s ARG 20 Cb 0.00 -0.82 0.02 0.00 -0.57 0.00 0.00 34.95 33.58 1d2b s ARG 20 CO 0.00 -0.07 0.61 0.00 -1.08 0.00 0.00 175.30 174.76 1d2b s ALA 21 N 0.88 -0.27 0.07 7.88 0.00 -0.47 -0.97 121.76 128.88 1d2b s ALA 21 Ca -0.12 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.00 1d2b s ALA 21 Cb -0.14 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 1d2b s ALA 21 CO 0.00 -0.91 -0.23 0.15 0.00 0.00 0.00 175.76 174.78 1d2b s LYS 22 N -3.19 1.42 -0.29 0.00 1.02 -0.20 0.26 119.74 118.76 1d2b s LYS 22 Ca 0.21 -1.09 -0.15 0.00 0.02 0.00 0.00 55.97 54.96 1d2b s LYS 22 Cb -0.03 -1.65 -0.03 0.00 -0.52 0.00 0.00 37.83 35.60 1d2b s LYS 22 CO 0.13 0.41 0.36 -0.06 -0.92 0.00 0.00 175.35 175.27 1d2b s PHE 23 N -0.92 3.23 -0.29 3.18 0.40 -1.26 0.44 117.98 122.76 1d2b s PHE 23 Ca 0.09 0.31 0.19 0.00 -0.60 0.00 0.00 56.93 56.92 1d2b s PHE 23 Cb -0.10 -2.59 0.48 0.00 0.51 0.00 0.00 43.02 41.33 1d2b s PHE 23 CO 0.03 -0.27 1.06 1.33 0.70 0.00 0.00 175.22 178.07 1d2b n VAL 24 N 5.15 1.35 -3.68 -0.44 0.24 -0.85 -4.08 118.33 116.02 1d2b n VAL 24 Ca -0.09 -3.20 -0.03 0.00 -2.04 0.00 0.00 64.34 58.98 1d2b n VAL 24 Cb 0.50 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.58 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 -3.53 -0.31 0.10 7.63 0.00 -0.68 -4.69 107.32 105.83 1d2b s GLY 25 Ca 0.30 0.45 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 1d2b s GLY 25 CO -0.01 0.10 0.29 -1.59 0.00 0.00 0.00 173.10 171.88 1d2b s THR 26 N -2.99 5.29 -0.06 0.90 2.01 -1.26 -4.08 115.64 115.45 1d2b s THR 26 Ca 0.12 -0.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 1d2b s THR 26 Cb 0.00 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 1d2b s THR 26 CO -0.01 0.07 0.52 -2.16 -0.69 0.00 0.00 174.62 172.35 1d2b s PRO 27 N -2.64 4.28 -0.36 4.92 0.04 -1.26 -4.18 135.00 135.80 1d2b s PRO 27 Ca 0.37 0.56 -0.22 0.00 0.04 0.00 0.00 61.00 61.75 1d2b s PRO 27 Cb -0.12 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.04 1d2b s PRO 27 CO 0.27 0.29 0.71 -1.83 0.04 0.00 0.00 177.00 176.48 1d2b s GLU 28 N 0.15 3.72 -0.49 4.56 -1.05 -1.11 -4.86 118.70 119.62 1d2b s GLU 28 Ca 0.28 0.20 -0.05 0.00 -0.15 0.00 0.00 54.97 55.25 1d2b s GLU 28 Cb -0.16 -3.81 0.13 0.00 -0.44 0.00 0.00 34.13 29.85 1d2b s GLU 28 CO 0.13 -0.79 0.31 0.08 0.95 0.00 0.00 175.26 175.94 1d2b s VAL 29 N 2.91 3.66 0.65 1.83 1.01 -1.26 -3.22 120.40 125.98 1d2b s VAL 29 Ca 0.28 -2.24 -0.09 0.00 0.00 0.00 0.00 61.98 59.93 1d2b s VAL 29 Cb -0.14 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.80 1d2b s VAL 29 CO 0.16 -0.77 1.01 0.21 0.00 0.00 0.00 175.10 175.71 1d2b s ASN 30 N 1.74 5.56 0.00 3.32 2.47 -1.26 -4.93 114.94 121.84 1d2b s ASN 30 Ca 0.10 0.97 0.30 0.00 0.42 0.00 0.00 52.86 54.65 1d2b s ASN 30 Cb -0.23 -1.87 1.40 0.00 -1.45 0.00 0.00 41.25 39.10 1d2b s ASN 30 CO -0.03 -1.19 1.95 0.00 -3.72 0.00 0.00 177.10 174.11 1d2b n GLN 31 N -2.81 0.94 0.00 0.43 1.13 -1.26 -3.94 117.38 111.87 1d2b n GLN 31 Ca 0.06 -0.29 0.00 0.00 -1.94 0.00 0.00 57.00 54.82 1d2b n GLN 31 Cb 0.57 -1.49 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 -0.77 0.07 -0.04 5.09 -1.04 -1.26 -4.83 114.28 111.49 1d2b n THR 32 Ca 0.18 -0.08 -0.15 0.00 -2.04 0.00 0.00 64.05 61.96 1d2b n THR 32 Cb 0.24 1.24 -0.13 0.00 -1.82 0.00 0.00 70.33 69.86 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 2.18 1.68 0.00 12.58 1.35 -1.96 -3.46 112.91 125.28 1d2b h THR 33 Ca 0.00 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 1d2b h THR 33 Cb 0.80 3.18 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 1d2b h THR 33 CO 0.00 0.60 0.00 0.18 -0.25 0.00 0.00 175.52 176.05 1d2b n LEU 34 N -4.50 0.00 -4.00 3.87 4.77 -1.26 -4.87 117.00 111.01 1d2b n LEU 34 Ca -0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.79 1d2b n LEU 34 Cb 0.54 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1d2b n LEU 34 CO 0.38 0.00 -0.21 -0.72 -1.33 0.00 0.00 177.39 175.51 1d2b s TYR 35 N -2.18 0.42 0.34 -1.77 1.13 -1.26 0.96 117.35 115.00 1d2b s TYR 35 Ca 0.00 -0.87 0.05 0.00 -1.41 0.00 0.00 57.07 54.84 1d2b s TYR 35 Cb 0.00 -0.24 -0.07 0.00 -1.10 0.00 0.00 41.96 40.56 1d2b s TYR 35 CO 0.00 -0.51 0.02 -0.65 -2.51 0.00 0.00 175.55 171.90 1d2b s GLN 36 N -3.92 1.72 -0.24 -3.49 -0.21 0.59 -4.41 119.66 109.70 1d2b s GLN 36 Ca 0.10 -1.95 -0.00 0.00 0.02 0.00 0.00 55.36 53.53 1d2b s GLN 36 Cb 0.06 -1.14 0.07 0.00 1.00 0.00 0.00 33.01 33.00 1d2b s GLN 36 CO -0.07 -0.10 0.01 1.03 -2.12 0.00 0.00 175.29 174.03 1d2b s ARG 37 N -3.81 1.16 0.16 2.91 0.52 -1.20 -1.84 118.95 116.86 1d2b s ARG 37 Ca 0.35 -0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 54.57 1d2b s ARG 37 Cb 0.08 -2.37 -0.07 0.00 0.52 0.00 0.00 34.95 33.11 1d2b s ARG 37 CO 0.16 -0.70 0.51 0.71 0.02 0.00 0.00 175.30 175.99 1d2b s TYR 38 N 1.55 3.52 -0.12 -0.53 2.02 -0.75 -2.76 117.35 120.28 1d2b s TYR 38 Ca -0.01 0.89 -0.05 0.00 -0.37 0.00 0.00 57.07 57.54 1d2b s TYR 38 Cb -0.18 -2.26 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 1d2b s TYR 38 CO -0.10 0.39 0.06 -2.00 -1.57 0.00 0.00 175.55 172.32 1d2b s GLU 39 N -2.34 3.34 0.43 -0.62 2.12 -1.26 -1.41 118.70 118.96 1d2b s GLU 39 Ca 0.41 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.47 1d2b s GLU 39 Cb -0.13 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 1d2b s GLU 39 CO 0.20 0.64 0.08 0.96 -0.54 0.00 0.00 175.26 176.60 1d2b s ILE 40 N -0.67 0.90 -0.79 -3.70 -4.36 -0.94 -1.69 121.20 109.95 1d2b s ILE 40 Ca 0.12 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.52 1d2b s ILE 40 Cb -0.12 -2.38 0.19 0.00 1.25 0.00 0.00 42.46 41.40 1d2b s ILE 40 CO 0.02 0.00 0.63 -0.75 0.24 0.00 0.00 174.94 175.08 1d2b s LYS 41 N -3.78 2.87 0.06 0.37 2.47 1.54 -4.54 119.74 118.73 1d2b s LYS 41 Ca 0.21 -3.24 -0.32 0.00 -1.56 0.00 0.00 55.97 51.05 1d2b s LYS 41 Cb 0.03 -3.71 -0.11 0.00 -1.46 0.00 0.00 37.83 32.58 1d2b s LYS 41 CO 0.12 -1.26 1.83 -0.12 0.16 0.00 0.00 175.35 176.07 1d2b n MET 42 N 2.28 2.54 -0.01 4.03 0.00 -1.26 -1.04 117.12 123.66 1d2b n MET 42 Ca 0.19 0.92 -0.00 0.00 -0.00 0.00 0.00 57.70 58.81 1d2b n MET 42 Cb 0.36 -2.80 -0.00 0.00 0.00 0.00 0.00 33.22 30.78 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 4.84 0.00 -3.06 1.12 2.02 -1.39 -3.47 112.91 112.97 1d2b h THR 43 Ca -0.47 -0.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.33 1d2b h THR 43 Cb 1.24 0.00 -0.21 0.00 -1.74 0.00 0.00 68.15 67.44 1d2b h THR 43 CO 0.94 0.00 -0.31 -0.54 0.37 0.00 0.00 175.52 175.98 1d2b s LYS 44 N -1.21 0.57 0.05 6.66 1.02 -0.73 -4.98 119.74 121.13 1d2b s LYS 44 Ca -0.02 -0.04 -0.19 0.00 0.02 0.00 0.00 55.97 55.74 1d2b s LYS 44 Cb 0.00 0.26 -0.06 0.00 -0.52 0.00 0.00 37.83 37.51 1d2b s LYS 44 CO 0.02 -0.14 0.57 -1.64 -0.92 0.00 0.00 175.35 173.24 1d2b s MET 45 N -0.94 4.21 -0.06 1.68 -1.94 -1.19 -0.41 119.30 120.64 1d2b s MET 45 Ca -0.10 0.72 0.10 0.00 -1.71 0.00 0.00 55.69 54.69 1d2b s MET 45 Cb -0.05 -3.26 0.17 0.00 2.01 0.00 0.00 34.83 33.70 1d2b s MET 45 CO 0.03 0.58 1.10 0.66 -0.01 0.00 0.00 175.02 177.38 1d2b n TYR 46 N 1.96 0.09 0.00 -0.03 4.02 0.41 -4.89 117.16 118.72 1d2b n TYR 46 Ca -0.10 -0.73 0.00 0.00 -0.01 0.00 0.00 57.90 57.06 1d2b n TYR 46 Cb 0.51 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 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 -0.82 0.00 0.00 -0.72 0.00 0.32 -4.70 118.16 112.24 1d2b n LYS 47 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.40 1d2b n LYS 47 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 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 -0.03 0.00 3.14 0.00 -1.26 -1.80 105.19 105.25 1d2b n GLY 48 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1d2b n GLY 48 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2b n PHE 49 N 0.00 0.00 -0.08 1.61 3.72 -1.26 0.35 117.46 121.80 1d2b n PHE 49 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 1d2b n PHE 49 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1d2b n PHE 49 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1d2b h GLN 50 N 0.00 0.00 0.05 -1.08 -0.00 -1.95 -3.38 115.11 108.76 1d2b h GLN 50 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.66 1d2b h GLN 50 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.47 1d2b h GLN 50 CO 0.00 0.41 -0.09 0.00 -0.00 0.00 0.00 178.83 179.14 1d2b h ALA 51 N -0.75 -0.14 -3.00 0.06 0.00 -1.80 -3.45 119.26 110.17 1d2b h ALA 51 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1d2b h ALA 51 Cb 0.73 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1d2b h ALA 51 CO -0.07 -0.60 0.00 1.47 0.00 0.00 0.00 179.25 180.05 1d2b n LEU 52 N -5.21 0.00 0.00 0.00 -0.00 0.15 -5.12 117.00 106.82 1d2b n LEU 52 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1d2b n LEU 52 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.56 1d2b n LEU 52 CO 0.30 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.30 1d2b n GLY 53 N 2.09 1.10 3.55 1.47 0.00 -1.21 -4.63 105.19 107.56 1d2b n GLY 53 Ca 0.00 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.55 1d2b n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1d2b s ASP 54 N 0.00 5.82 0.00 1.61 1.01 -1.26 -4.68 116.67 119.17 1d2b s ASP 54 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.22 1d2b s ASP 54 Cb 0.00 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.38 1d2b s ASP 54 CO 0.00 -2.02 0.30 0.00 0.21 0.00 0.00 175.17 173.66 1d2b n ALA 55 N 10.67 0.23 -0.19 5.23 0.00 -1.26 0.12 120.51 135.31 1d2b n ALA 55 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1d2b n ALA 55 Cb 0.50 -0.18 0.16 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.80 2.19 1.50 0.00 0.00 -1.26 -3.19 120.51 118.96 1d2b n ALA 56 Ca 0.00 -1.17 0.06 0.00 0.00 0.00 0.00 53.44 52.34 1d2b n ALA 56 Cb 0.17 -0.44 0.38 0.00 0.00 0.00 0.00 19.45 19.57 1d2b n ALA 56 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1d2b n ASP 57 N 0.50 0.00 -3.99 0.00 -0.08 0.33 -4.25 116.55 109.06 1d2b n ASP 57 Ca 0.12 -1.09 -0.32 0.00 -1.51 0.00 0.00 54.79 51.99 1d2b n ASP 57 Cb 0.44 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.80 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1d2b s ILE 58 N -2.00 3.50 -1.24 5.18 -1.09 -1.26 -4.90 121.20 119.38 1d2b s ILE 58 Ca 0.19 -4.05 0.19 0.00 -2.23 0.00 0.00 60.65 54.76 1d2b s ILE 58 Cb 0.09 -3.24 -0.14 0.00 -1.58 0.00 0.00 42.46 37.60 1d2b s ILE 58 CO 0.15 -1.03 0.88 0.54 -1.23 0.00 0.00 174.94 174.25 1d2b n ARG 59 N 2.19 0.94 -3.81 2.79 1.74 -1.26 -4.63 116.66 114.62 1d2b n ARG 59 Ca 0.20 -0.34 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 1d2b n ARG 59 Cb 0.36 -1.40 -0.11 0.00 -1.02 0.00 0.00 32.46 30.29 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 -2.61 -0.14 -0.18 -1.55 0.40 -1.26 -2.21 117.98 110.42 1d2b s PHE 60 Ca 0.11 0.31 -0.01 0.00 -0.60 0.00 0.00 56.93 56.73 1d2b s PHE 60 Cb 0.15 0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.73 1d2b s PHE 60 CO 0.69 -0.22 -0.12 0.14 0.70 0.00 0.00 175.22 176.40 1d2b s VAL 61 N -0.63 2.80 -0.46 -0.44 -7.23 -0.50 -4.23 120.40 109.72 1d2b s VAL 61 Ca -0.07 -0.70 -0.15 0.00 -1.81 0.00 0.00 61.98 59.25 1d2b s VAL 61 Cb -0.04 -2.22 0.07 0.00 0.56 0.00 0.00 36.38 34.75 1d2b s VAL 61 CO 0.01 0.49 0.37 -0.31 -0.31 0.00 0.00 175.10 175.35 1d2b s TYR 62 N 1.13 3.25 -0.15 2.82 1.51 -0.04 -1.82 117.35 124.06 1d2b s TYR 62 Ca 0.01 -0.97 -0.04 0.00 -1.01 0.00 0.00 57.07 55.06 1d2b s TYR 62 Cb -0.14 -3.08 -0.03 0.00 -0.11 0.00 0.00 41.96 38.59 1d2b s TYR 62 CO -0.04 -0.78 -0.01 -0.08 -1.11 0.00 0.00 175.55 173.53 1d2b s THR 63 N 1.62 4.19 0.18 -0.71 -1.32 -0.77 -2.95 115.64 115.88 1d2b s THR 63 Ca 0.04 -0.26 -0.33 0.00 -1.21 0.00 0.00 61.69 59.93 1d2b s THR 63 Cb -0.24 -2.84 -0.15 0.00 -1.51 0.00 0.00 72.50 67.77 1d2b s THR 63 CO 0.06 0.50 1.35 -2.65 -2.21 0.00 0.00 174.62 171.68 1d2b n PRO 64 N 3.34 1.65 -0.48 7.08 -0.02 -1.25 0.22 135.00 145.53 1d2b n PRO 64 Ca -0.17 0.59 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1d2b n PRO 64 Cb 0.53 -2.22 0.26 0.00 -0.02 0.00 0.00 33.50 32.05 1d2b n PRO 64 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2b n ALA 65 N 2.16 3.07 -1.38 3.55 0.00 6.17 -4.14 120.51 129.93 1d2b n ALA 65 Ca 0.15 -1.16 -0.29 0.00 0.00 0.00 0.00 53.44 52.14 1d2b n ALA 65 Cb 0.27 -1.04 0.15 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.88 0.82 0.16 0.00 -1.94 -0.91 -4.69 119.30 110.86 1d2b s MET 66 Ca 0.36 0.37 -0.30 0.00 -1.71 0.00 0.00 55.69 54.42 1d2b s MET 66 Cb 0.25 -1.79 -0.07 0.00 2.01 0.00 0.00 34.83 35.22 1d2b s MET 66 CO 0.16 -2.44 1.10 -1.21 -0.01 0.00 0.00 175.02 172.62 1d2b s GLU 67 N -5.15 4.58 -1.19 2.03 2.02 -1.26 -3.20 118.70 116.54 1d2b s GLU 67 Ca 0.64 1.70 -0.06 0.00 0.02 0.00 0.00 54.97 57.28 1d2b s GLU 67 Cb -0.16 -3.29 0.04 0.00 0.10 0.00 0.00 34.13 30.82 1d2b s GLU 67 CO 0.55 0.04 0.34 -1.13 0.02 0.00 0.00 175.26 175.08 1d2b n SER 68 N 2.59 -3.81 -4.93 -0.19 3.41 -1.26 -4.92 113.62 104.52 1d2b n SER 68 Ca 0.03 -0.18 -0.25 0.00 -0.26 0.00 0.00 58.87 58.21 1d2b n SER 68 Cb 0.46 -3.18 0.01 0.00 -0.26 0.00 0.00 64.21 61.24 1d2b n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1d2b s VAL 69 N -2.82 4.32 -1.03 -3.33 0.11 -1.19 -4.58 120.40 111.87 1d2b s VAL 69 Ca 0.26 -0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.02 1d2b s VAL 69 Cb -0.14 -3.64 0.20 0.00 -1.53 0.00 0.00 36.38 31.27 1d2b s VAL 69 CO 0.32 -0.55 1.14 0.00 -3.33 0.00 0.00 175.10 172.68 1d2b n GLY 71 N 4.09 0.19 2.80 0.00 0.00 -1.26 -4.19 105.19 106.82 1d2b n GLY 71 Ca 0.26 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 1.77 -0.96 -0.50 1.61 5.04 -1.26 -2.44 117.35 120.61 1d2b s TYR 72 Ca 0.00 -0.17 -0.27 0.00 -2.44 0.00 0.00 57.07 54.19 1d2b s TYR 72 Cb 0.00 0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.47 1d2b s TYR 72 CO 0.00 -0.72 1.87 -0.06 -1.34 0.00 0.00 175.55 175.29 1d2b s PHE 73 N 1.25 1.69 -0.35 4.97 0.40 -1.26 -4.93 117.98 119.76 1d2b s PHE 73 Ca 0.23 0.79 -0.10 0.00 -0.60 0.00 0.00 56.93 57.25 1d2b s PHE 73 Cb 0.04 -4.07 0.02 0.00 0.51 0.00 0.00 43.02 39.52 1d2b s PHE 73 CO -0.09 -2.53 0.17 -1.58 0.70 0.00 0.00 175.22 171.89 1d2b s HIS 74 N 8.46 3.23 -0.96 0.36 5.65 -1.26 -4.90 115.29 125.87 1d2b s HIS 74 Ca 0.73 -0.96 0.08 0.00 0.25 0.00 0.00 55.06 55.16 1d2b s HIS 74 Cb -0.16 -2.39 0.09 0.00 -1.18 0.00 0.00 32.58 28.94 1d2b s HIS 74 CO 0.26 -0.62 0.82 0.54 -0.65 0.00 0.00 174.74 175.09 1d2b n ARG 75 N 4.96 0.55 -3.29 2.88 3.00 -1.26 -4.84 116.66 118.66 1d2b n ARG 75 Ca -0.12 -1.12 -0.45 0.00 -0.01 0.00 0.00 57.85 56.14 1d2b n ARG 75 Cb 0.46 -1.16 -0.00 0.00 0.00 0.00 0.00 32.46 31.76 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 -0.72 7.23 0.00 0.55 0.01 -1.26 -4.85 113.70 114.65 1d2b s SER 76 Ca 0.11 -3.42 0.00 0.00 1.31 0.00 0.00 55.95 53.95 1d2b s SER 76 Cb 0.07 -2.23 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1d2b s SER 76 CO 0.10 -0.38 0.55 1.41 0.41 0.00 0.00 173.24 175.34 1d2b n HIS 77 N 3.21 0.00 -2.13 2.43 8.25 -1.26 -4.77 115.22 120.96 1d2b n HIS 77 Ca 0.24 -0.12 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 1d2b n HIS 77 Cb 0.41 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 1d2b n HIS 77 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1d2b s ASN 78 N 0.18 6.24 0.41 0.41 3.04 -1.26 -4.87 114.94 119.08 1d2b s ASN 78 Ca 0.00 1.39 0.22 0.00 0.04 0.00 0.00 52.86 54.52 1d2b s ASN 78 Cb 0.00 -2.53 0.59 0.00 -1.54 0.00 0.00 41.25 37.77 1d2b s ASN 78 CO 0.00 -1.41 1.69 0.03 -3.04 0.00 0.00 177.10 174.37 1d2b h ARG 79 N 11.30 0.00 -0.34 0.43 2.47 -1.88 -3.13 114.38 123.22 1d2b h ARG 79 Ca -0.32 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1d2b h ARG 79 Cb 1.15 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1d2b h ARG 79 CO 1.02 0.22 0.00 -1.13 0.56 0.00 0.00 179.97 180.64 1d2b n SER 80 N -3.24 2.94 -4.58 7.04 3.41 -1.26 -4.75 113.62 113.17 1d2b n SER 80 Ca 0.02 -1.91 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 1d2b n SER 80 Cb 0.52 -0.23 -0.09 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.03 3.84 1.05 4.33 2.12 -1.18 -5.06 118.70 122.77 1d2b s GLU 81 Ca 0.26 -0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.34 1d2b s GLU 81 Cb 0.14 -3.72 0.22 0.00 0.26 0.00 0.00 34.13 31.03 1d2b s GLU 81 CO 0.19 -0.39 1.07 -2.00 -0.54 0.00 0.00 175.26 173.59 1d2b s GLU 82 N 2.08 -0.03 0.32 4.30 2.12 -1.26 -4.35 118.70 121.89 1d2b s GLU 82 Ca 0.14 0.58 -0.12 0.00 0.36 0.00 0.00 54.97 55.94 1d2b s GLU 82 Cb -0.16 -1.68 0.02 0.00 0.26 0.00 0.00 34.13 32.57 1d2b s GLU 82 CO 0.11 -3.06 0.60 -0.06 -0.54 0.00 0.00 175.26 172.31 1d2b s PHE 83 N -2.83 0.42 -0.09 5.30 0.40 0.72 -4.01 117.98 117.90 1d2b s PHE 83 Ca 0.66 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 56.17 1d2b s PHE 83 Cb -0.20 0.37 0.01 0.00 0.51 0.00 0.00 43.02 43.70 1d2b s PHE 83 CO 0.60 -1.23 -0.15 -1.17 0.70 0.00 0.00 175.22 173.96 1d2b s LEU 84 N -3.08 1.74 -0.26 -0.37 1.98 0.18 -1.37 118.68 117.51 1d2b s LEU 84 Ca 0.21 -0.40 -0.00 0.00 -2.89 0.00 0.00 54.13 51.05 1d2b s LEU 84 Cb -0.03 -1.04 0.08 0.00 0.66 0.00 0.00 46.19 45.86 1d2b s LEU 84 CO 0.13 0.05 0.02 -0.63 -1.89 0.00 0.00 176.35 174.03 1d2b s ILE 85 N 0.76 1.17 -0.28 6.68 1.01 -0.43 -1.51 121.20 128.61 1d2b s ILE 85 Ca -0.12 -1.24 -0.11 0.00 0.00 0.00 0.00 60.65 59.18 1d2b s ILE 85 Cb -0.16 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1d2b s ILE 85 CO 0.02 -0.36 0.19 0.00 0.00 0.00 0.00 174.94 174.80 1d2b s ALA 86 N 1.52 3.53 0.00 9.38 0.00 0.67 -1.07 121.76 135.78 1d2b s ALA 86 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1d2b s ALA 86 Cb -0.18 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.45 1d2b s ALA 86 CO -0.13 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1d2b n GLY 87 N 5.06 2.76 3.49 0.00 0.00 0.65 -4.09 105.19 113.07 1d2b n GLY 87 Ca -0.14 -1.17 -0.24 0.00 0.00 0.00 0.00 46.02 44.47 1d2b n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d2b s LYS 88 N -1.58 1.81 -0.16 1.61 3.01 -1.25 0.23 119.74 123.41 1d2b s LYS 88 Ca 0.00 -2.07 0.01 0.00 -1.01 0.00 0.00 55.97 52.91 1d2b s LYS 88 Cb 0.00 -0.75 0.01 0.00 -1.01 0.00 0.00 37.83 36.08 1d2b s LYS 88 CO 0.00 -0.35 -0.20 -0.51 0.51 0.00 0.00 175.35 174.80 1d2b s LEU 89 N -3.56 2.17 -0.33 3.17 1.43 -1.26 -2.78 118.68 117.52 1d2b s LEU 89 Ca 0.28 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 1d2b s LEU 89 Cb 0.05 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 1d2b s LEU 89 CO 0.14 0.04 0.20 0.00 0.23 0.00 0.00 176.35 176.96 1d2b s GLN 90 N 1.05 3.36 -0.65 1.70 0.00 0.40 -4.45 119.66 121.07 1d2b s GLN 90 Ca -0.01 -0.72 0.00 0.00 -0.00 0.00 0.00 55.36 54.63 1d2b s GLN 90 Cb -0.14 -3.68 0.00 0.00 0.00 0.00 0.00 33.01 29.18 1d2b s GLN 90 CO -0.07 -0.45 0.00 -0.25 0.00 0.00 0.00 175.29 174.52 1d2b n ASP 91 N 5.04 -2.58 0.00 12.60 8.00 -1.26 -1.31 116.55 137.05 1d2b n ASP 91 Ca -0.13 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.66 1d2b n ASP 91 Cb 0.49 -2.31 0.00 0.00 -0.02 0.00 0.00 41.12 39.28 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 3.36 3.83 0.44 0.00 -1.26 -5.10 105.19 105.88 1d2b n GLY 92 Ca -0.08 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 3.56 0.60 0.99 1.43 -0.42 -4.92 118.68 119.92 1d2b s LEU 93 Ca 0.00 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.58 1d2b s LEU 93 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 1d2b s LEU 93 CO 0.00 -0.76 1.04 -0.22 0.23 0.00 0.00 176.35 176.64 1d2b s LEU 94 N -4.26 3.43 -0.01 1.79 2.96 -1.26 -0.45 118.68 120.88 1d2b s LEU 94 Ca 0.60 1.71 -0.05 0.00 -0.22 0.00 0.00 54.13 56.16 1d2b s LEU 94 Cb -0.12 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.06 1d2b s LEU 94 CO 0.34 -1.10 0.11 -1.00 -1.32 0.00 0.00 176.35 173.38 1d2b s HIS 95 N -2.64 0.01 0.04 5.38 3.76 -1.12 -0.86 115.29 119.87 1d2b s HIS 95 Ca 0.61 -0.03 0.03 0.00 -0.15 0.00 0.00 55.06 55.52 1d2b s HIS 95 Cb -0.14 -0.04 -0.02 0.00 1.11 0.00 0.00 32.58 33.49 1d2b s HIS 95 CO 0.40 -0.21 -0.09 0.42 -0.85 0.00 0.00 174.74 174.42 1d2b s ILE 96 N -0.93 0.65 -0.00 0.60 -1.09 -1.15 -3.88 121.20 115.39 1d2b s ILE 96 Ca -0.10 -1.02 -0.01 0.00 -2.23 0.00 0.00 60.65 57.29 1d2b s ILE 96 Cb -0.06 -0.67 -0.00 0.00 -1.58 0.00 0.00 42.46 40.15 1d2b s ILE 96 CO 0.01 -0.28 0.02 0.42 -1.23 0.00 0.00 174.94 173.88 1d2b s THR 97 N -1.20 0.03 -1.17 2.92 -4.23 -1.02 -4.28 115.64 106.70 1d2b s THR 97 Ca -0.07 -0.28 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1d2b s THR 97 Cb -0.09 -0.13 0.01 0.00 1.34 0.00 0.00 72.50 73.63 1d2b s THR 97 CO 0.01 -0.15 0.95 0.35 -0.54 0.00 0.00 174.62 175.23 1d2b n THR 98 N 2.58 1.61 -1.25 3.99 -2.24 -1.16 0.27 114.28 118.07 1d2b n THR 98 Ca -0.16 0.40 0.03 0.00 -2.27 0.00 0.00 64.05 62.05 1d2b n THR 98 Cb 0.58 -1.39 0.21 0.00 -2.10 0.00 0.00 70.33 67.64 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 -2.40 3.77 -0.51 0.00 0.15 0.14 -4.66 113.70 110.19 1d2b s SER 100 Ca 0.42 -0.72 -0.27 0.00 0.70 0.00 0.00 55.95 56.08 1d2b s SER 100 Cb 0.37 -0.45 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 1d2b s SER 100 CO 0.03 0.13 1.85 0.12 1.20 0.00 0.00 173.24 176.57 1d2b s PHE 101 N -1.57 1.70 -0.26 3.44 2.19 -1.26 -4.78 117.98 117.44 1d2b s PHE 101 Ca 0.21 0.78 -0.01 0.00 0.33 0.00 0.00 56.93 58.24 1d2b s PHE 101 Cb -0.09 -4.08 0.14 0.00 -1.31 0.00 0.00 43.02 37.68 1d2b s PHE 101 CO 0.11 -2.50 0.38 0.08 1.83 0.00 0.00 175.22 175.12 1d2b s VAL 102 N 8.44 -0.59 0.25 3.12 1.01 -1.26 -0.24 120.40 131.12 1d2b s VAL 102 Ca 0.72 -0.20 -0.22 0.00 0.00 0.00 0.00 61.98 62.29 1d2b s VAL 102 Cb -0.16 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1d2b s VAL 102 CO 0.25 -0.22 0.76 0.00 0.00 0.00 0.00 175.10 175.89 1d2b s ALA 103 N 2.53 -1.31 -0.15 5.51 0.00 -0.57 -4.97 121.76 122.80 1d2b s ALA 103 Ca 0.11 -0.20 -0.37 0.00 0.00 0.00 0.00 51.96 51.50 1d2b s ALA 103 Cb -0.14 0.81 -0.14 0.00 0.00 0.00 0.00 23.12 23.65 1d2b s ALA 103 CO -0.23 -1.03 1.76 -2.30 0.00 0.00 0.00 175.76 173.96 1d2b n PRO 104 N -0.46 1.61 -0.20 0.00 -0.02 -1.26 0.51 135.00 135.19 1d2b n PRO 104 Ca -0.05 0.59 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1d2b n PRO 104 Cb 0.60 -2.34 0.01 0.00 -0.02 0.00 0.00 33.50 31.75 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 7.74 -0.85 0.00 6.00 -0.00 -1.73 0.94 115.95 128.06 1d2b h TRP 105 Ca -0.47 0.07 0.00 0.00 -0.00 0.00 0.00 58.89 58.49 1d2b h TRP 105 Cb 1.30 0.46 0.00 0.00 -0.00 0.00 0.00 29.16 30.91 1d2b h TRP 105 CO 0.79 -0.37 0.00 0.09 -0.00 0.00 0.00 178.44 178.95 1d2b n ASN 106 N -5.43 0.00 -0.00 2.65 4.13 -1.26 0.88 115.26 116.23 1d2b n ASN 106 Ca 0.04 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1d2b n ASN 106 Cb 0.35 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.59 1d2b n ASN 106 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1d2b n SER 107 N -0.41 2.28 -4.74 6.41 2.88 0.33 -5.06 113.62 115.30 1d2b n SER 107 Ca 0.00 -0.28 -0.29 0.00 -1.33 0.00 0.00 58.87 56.97 1d2b n SER 107 Cb 0.00 1.02 0.14 0.00 -0.75 0.00 0.00 64.21 64.62 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 -2.53 2.05 -0.30 2.46 1.02 0.25 -5.00 118.68 116.63 1d2b s LEU 108 Ca 0.00 1.20 -0.25 0.00 0.02 0.00 0.00 54.13 55.10 1d2b s LEU 108 Cb 0.01 -3.56 0.01 0.00 0.02 0.00 0.00 46.19 42.66 1d2b s LEU 108 CO 0.04 -2.63 0.89 -0.44 0.02 0.00 0.00 176.35 174.23 1d2b s SER 109 N -3.71 6.77 0.38 2.29 0.01 -1.26 -4.81 113.70 113.37 1d2b s SER 109 Ca 0.64 0.82 0.33 0.00 1.31 0.00 0.00 55.95 59.05 1d2b s SER 109 Cb -0.16 -2.46 1.20 0.00 0.21 0.00 0.00 66.02 64.81 1d2b s SER 109 CO 0.55 -0.70 1.12 0.00 0.41 0.00 0.00 173.24 174.63 1d2b n LEU 110 N 6.40 0.04 0.10 2.44 -0.00 -1.26 0.61 117.00 125.33 1d2b n LEU 110 Ca 0.07 0.78 -0.21 0.00 -0.00 0.00 0.00 56.01 56.65 1d2b n LEU 110 Cb 0.48 -0.39 -0.15 0.00 -0.00 0.00 0.00 43.42 43.36 1d2b n LEU 110 CO 0.53 -0.81 -0.33 0.00 -0.00 0.00 0.00 177.39 176.79 1d2b h ALA 111 N 0.82 0.08 -0.01 1.47 0.00 -1.98 -1.66 119.26 117.97 1d2b h ALA 111 Ca 0.67 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1d2b h ALA 111 Cb 2.55 0.26 0.00 0.00 0.00 0.00 0.00 17.79 20.61 1d2b h ALA 111 CO -0.09 0.95 0.00 0.94 0.00 0.00 0.00 179.25 181.05 1d2b n GLN 112 N -3.59 1.42 -0.04 0.00 7.27 2.65 0.13 117.38 125.23 1d2b n GLN 112 Ca -0.18 -0.62 -0.21 0.00 0.07 0.00 0.00 57.00 56.06 1d2b n GLN 112 Cb 1.07 -1.48 -0.13 0.00 2.41 0.00 0.00 30.24 32.11 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 1.49 0.15 0.06 3.69 3.08 1.08 -3.00 114.38 120.93 1d2b h ARG 113 Ca 0.00 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 1d2b h ARG 113 Cb 0.32 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1d2b h ARG 113 CO 0.00 1.12 -0.03 0.07 -1.07 0.00 0.00 179.97 180.07 1d2b h ARG 114 N -0.50 -0.08 -0.99 0.04 -0.00 -0.91 -2.43 114.38 109.52 1d2b h ARG 114 Ca -0.33 0.01 0.34 0.00 -0.00 0.00 0.00 59.98 59.99 1d2b h ARG 114 Cb 1.63 0.02 -0.16 0.00 -0.00 0.00 0.00 29.97 31.46 1d2b h ARG 114 CO -0.03 0.39 0.51 0.78 -0.00 0.00 0.00 179.97 181.62 1d2b h GLY 115 N -0.58 2.03 0.27 0.08 0.00 0.86 0.72 103.07 106.45 1d2b h GLY 115 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1d2b h GLY 115 CO 0.01 -0.56 -0.08 0.74 0.00 0.00 0.00 176.54 176.65 1d2b h PHE 116 N 0.22 -0.21 -0.15 5.60 -1.00 -1.46 2.81 116.94 122.75 1d2b h PHE 116 Ca 0.74 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.56 1d2b h PHE 116 Cb 1.75 0.07 -0.01 0.00 3.61 0.00 0.00 35.95 41.37 1d2b h PHE 116 CO -0.05 0.15 0.47 0.00 -1.61 0.00 0.00 178.31 177.27 1d2b h THR 117 N -0.96 0.09 0.00 -1.55 1.03 -0.36 -3.35 112.91 107.82 1d2b h THR 117 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.38 1d2b h THR 117 Cb 0.46 0.56 0.00 0.00 -1.07 0.00 0.00 68.15 68.10 1d2b h THR 117 CO 0.04 0.00 -0.03 1.17 -0.01 0.00 0.00 175.52 176.69 1d2b n LYS 118 N -3.07 0.00 -0.01 0.00 4.81 0.23 -5.01 118.16 115.12 1d2b n LYS 118 Ca 0.02 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.55 1d2b n LYS 118 Cb 0.56 -0.45 -0.14 0.00 0.02 0.00 0.00 35.03 35.02 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 -1.67 0.00 -0.66 3.15 -1.04 0.34 -4.64 114.28 109.75 1d2b n THR 119 Ca 0.00 -0.28 0.09 0.00 -2.04 0.00 0.00 64.05 61.83 1d2b n THR 119 Cb 0.02 0.46 0.37 0.00 -1.82 0.00 0.00 70.33 69.36 1d2b n THR 119 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1d2b n TYR 120 N -1.88 1.61 0.37 -1.42 4.01 0.86 -2.71 117.16 117.99 1d2b n TYR 120 Ca -0.00 -0.62 0.09 0.00 -0.16 0.00 0.00 57.90 57.20 1d2b n TYR 120 Cb 0.43 -0.29 -0.12 0.00 -0.31 0.00 0.00 39.34 39.05 1d2b n TYR 120 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1d2b n THR 121 N 1.09 0.00 0.00 -0.72 -2.24 -1.26 -2.87 114.28 108.29 1d2b n THR 121 Ca 0.27 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1d2b n THR 121 Cb 0.95 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1d2b n VAL 122 N -1.80 0.00 -2.46 2.28 0.31 -1.26 -4.71 118.33 110.70 1d2b n VAL 122 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.23 1d2b n VAL 122 Cb 0.38 -0.34 0.04 0.00 -0.91 0.00 0.00 33.84 33.01 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 2.78 3.72 2.58 2.92 0.00 -1.10 -4.99 105.19 111.10 1d2b n GLY 123 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 1.68 1.65 0.00 0.00 -1.05 -1.26 -4.01 118.70 115.71 1d2b s GLU 125 Ca 0.00 -2.58 0.00 0.00 -0.15 0.00 0.00 54.97 52.24 1d2b s GLU 125 Cb 0.00 -2.50 0.00 0.00 -0.44 0.00 0.00 34.13 31.19 1d2b s GLU 125 CO 0.00 -1.28 0.13 -0.85 0.95 0.00 0.00 175.26 174.21