#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2b s THR 2 N 0.00 2.24 0.01 0.00 -4.23 -1.26 -3.34 115.64 109.05 1d2b s THR 2 Ca 0.00 -3.51 0.00 0.00 -1.18 0.00 0.00 61.69 57.00 1d2b s THR 2 Cb 0.00 -2.51 0.00 0.00 1.34 0.00 0.00 72.50 71.33 1d2b s THR 2 CO 0.00 -0.96 0.01 0.00 -0.54 0.00 0.00 174.62 173.13 1d2b s VAL 4 N 0.79 4.61 -0.54 0.00 -7.23 -1.26 -4.57 120.40 112.19 1d2b s VAL 4 Ca 0.01 -1.23 -0.41 0.00 -1.81 0.00 0.00 61.98 58.53 1d2b s VAL 4 Cb -0.00 -3.54 -0.19 0.00 0.56 0.00 0.00 36.38 33.21 1d2b s VAL 4 CO 0.00 -0.31 2.14 -2.65 -0.31 0.00 0.00 175.10 173.97 1d2b n PRO 5 N -1.31 0.00 -3.64 4.82 -0.02 -1.26 -4.85 135.00 128.74 1d2b n PRO 5 Ca -0.07 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.06 1d2b n PRO 5 Cb 0.58 -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 6.13 3.69 -0.16 0.52 0.04 -1.26 -4.97 135.00 138.99 1d2b s PRO 6 Ca 1.18 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 1d2b s PRO 6 Cb -1.43 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 30.00 1d2b s PRO 6 CO 0.62 0.60 0.54 0.72 0.04 0.00 0.00 177.00 179.52 1d2b n HIS 7 N 1.00 0.58 -0.07 0.56 8.25 -1.26 -4.54 115.22 119.73 1d2b n HIS 7 Ca -0.09 0.40 -0.13 0.00 -0.26 0.00 0.00 57.72 57.63 1d2b n HIS 7 Cb 0.52 -0.77 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 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 1.68 0.51 0.00 -0.41 0.13 -1.95 1.66 132.00 133.62 1d2b h PRO 8 Ca -0.15 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1d2b h PRO 8 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1d2b h PRO 8 CO 0.33 0.83 0.00 1.04 -0.23 0.00 0.00 178.00 179.97 1d2b n GLN 9 N -4.44 0.12 -0.05 0.86 3.00 -1.26 0.68 117.38 116.30 1d2b n GLN 9 Ca -0.05 0.45 -0.19 0.00 -0.01 0.00 0.00 57.00 57.21 1d2b n GLN 9 Cb 0.39 -1.79 -0.13 0.00 0.00 0.00 0.00 30.24 28.71 1d2b n GLN 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1d2b n THR 10 N -2.03 1.65 0.25 5.09 -1.04 -0.83 -3.71 114.28 113.66 1d2b n THR 10 Ca 0.01 -0.64 0.09 0.00 -2.04 0.00 0.00 64.05 61.46 1d2b n THR 10 Cb 0.14 -1.52 0.64 0.00 -1.82 0.00 0.00 70.33 67.77 1d2b n THR 10 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1d2b h ALA 11 N 0.15 1.73 0.23 2.41 0.00 0.50 1.00 119.26 125.28 1d2b h ALA 11 Ca -0.48 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1d2b h ALA 11 Cb 2.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1d2b h ALA 11 CO 0.02 0.11 -0.11 0.35 0.00 0.00 0.00 179.25 179.62 1d2b h PHE 12 N 0.00 -0.29 0.22 0.00 3.57 0.11 -2.90 116.94 117.64 1d2b h PHE 12 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 1d2b h PHE 12 Cb 0.16 0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1d2b h PHE 12 CO 0.00 -0.03 -0.11 0.00 -2.23 0.00 0.00 178.31 175.94 1d2b h ASN 14 N -0.60 1.04 -4.02 0.00 -1.24 0.86 -3.43 115.58 108.20 1d2b h ASN 14 Ca -0.03 0.01 -0.53 0.00 0.71 0.00 0.00 56.30 56.46 1d2b h ASN 14 Cb 0.44 -0.22 0.09 0.00 0.73 0.00 0.00 38.32 39.36 1d2b h ASN 14 CO 0.05 0.67 0.54 -0.55 -1.29 0.00 0.00 177.43 176.85 1d2b s SER 15 N -5.91 5.83 0.00 1.15 0.15 -1.10 -4.92 113.70 108.90 1d2b s SER 15 Ca -0.12 2.51 0.27 0.00 0.70 0.00 0.00 55.95 59.31 1d2b s SER 15 Cb 0.20 -2.62 0.93 0.00 -1.71 0.00 0.00 66.02 62.83 1d2b s SER 15 CO 0.81 -1.17 1.68 0.47 1.20 0.00 0.00 173.24 176.23 1d2b n ASP 16 N -0.65 1.40 -3.64 5.45 9.92 -0.59 -4.83 116.55 123.60 1d2b n ASP 16 Ca 0.08 -1.33 -0.05 0.00 -0.53 0.00 0.00 54.79 52.96 1d2b n ASP 16 Cb 0.46 0.04 -0.07 0.00 -0.64 0.00 0.00 41.12 40.92 1d2b n ASP 16 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 1d2b s LEU 17 N -2.15 -0.21 -0.02 0.64 0.05 0.86 -4.13 118.68 113.72 1d2b s LEU 17 Ca 0.34 0.39 -0.00 0.00 0.05 0.00 0.00 54.13 54.90 1d2b s LEU 17 Cb 0.20 1.42 0.03 0.00 -2.05 0.00 0.00 46.19 45.79 1d2b s LEU 17 CO 0.39 -0.08 0.04 -0.69 -0.55 0.00 0.00 176.35 175.46 1d2b s VAL 18 N -0.02 -0.05 -0.03 1.48 1.01 0.29 0.61 120.40 123.69 1d2b s VAL 18 Ca 0.06 0.18 -0.21 0.00 0.00 0.00 0.00 61.98 62.00 1d2b s VAL 18 Cb -0.05 -0.09 0.04 0.00 0.00 0.00 0.00 36.38 36.28 1d2b s VAL 18 CO -0.11 0.07 0.45 0.27 0.00 0.00 0.00 175.10 175.79 1d2b s ILE 19 N 0.92 0.04 -0.18 2.22 -4.36 0.12 0.12 121.20 120.07 1d2b s ILE 19 Ca -0.08 -0.29 -0.14 0.00 -0.26 0.00 0.00 60.65 59.88 1d2b s ILE 19 Cb -0.11 -0.77 -0.04 0.00 1.25 0.00 0.00 42.46 42.79 1d2b s ILE 19 CO -0.03 -0.16 0.32 0.00 0.24 0.00 0.00 174.94 175.31 1d2b s ARG 20 N -1.32 4.22 0.34 0.37 1.70 0.27 0.01 118.95 124.53 1d2b s ARG 20 Ca -0.12 0.11 -0.17 0.00 -0.47 0.00 0.00 55.73 55.08 1d2b s ARG 20 Cb -0.03 -3.47 0.04 0.00 -0.57 0.00 0.00 34.95 30.91 1d2b s ARG 20 CO 0.06 0.13 0.74 0.00 -1.08 0.00 0.00 175.30 175.15 1d2b s ALA 21 N 0.80 -0.87 0.12 7.88 0.00 -0.55 -0.04 121.76 129.11 1d2b s ALA 21 Ca 0.17 -0.60 0.07 0.00 0.00 0.00 0.00 51.96 51.60 1d2b s ALA 21 Cb -0.14 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1d2b s ALA 21 CO 0.06 -1.00 -0.06 0.15 0.00 0.00 0.00 175.76 174.90 1d2b s LYS 22 N -3.05 2.24 -0.33 0.00 1.02 -0.43 0.18 119.74 119.36 1d2b s LYS 22 Ca 0.14 -1.04 -0.13 0.00 0.02 0.00 0.00 55.97 54.97 1d2b s LYS 22 Cb -0.05 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.90 1d2b s LYS 22 CO 0.10 0.49 0.24 -0.06 -0.92 0.00 0.00 175.35 175.20 1d2b s PHE 23 N -1.39 3.23 -0.33 3.18 0.40 -1.25 0.31 117.98 122.13 1d2b s PHE 23 Ca 0.24 -0.16 0.16 0.00 -0.60 0.00 0.00 56.93 56.57 1d2b s PHE 23 Cb -0.11 -2.48 0.43 0.00 0.51 0.00 0.00 43.02 41.38 1d2b s PHE 23 CO 0.16 -0.34 0.90 1.33 0.70 0.00 0.00 175.22 177.97 1d2b n VAL 24 N 5.11 0.75 -3.61 -0.44 0.24 -0.79 -4.32 118.33 115.27 1d2b n VAL 24 Ca -0.13 -3.45 -0.06 0.00 -2.04 0.00 0.00 64.34 58.66 1d2b n VAL 24 Cb 0.50 0.41 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 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 -2.97 -0.36 0.24 7.63 0.00 -0.18 -4.46 107.32 107.23 1d2b s GLY 25 Ca 0.30 0.64 0.05 0.00 0.00 0.00 0.00 44.72 45.72 1d2b s GLY 25 CO 0.01 0.19 0.32 -1.08 0.00 0.00 0.00 173.10 172.53 1d2b s THR 26 N -3.16 5.05 -0.38 0.90 -1.32 -1.26 -4.22 115.64 111.25 1d2b s THR 26 Ca 0.08 -1.09 -0.29 0.00 -1.21 0.00 0.00 61.69 59.18 1d2b s THR 26 Cb -0.01 -3.74 0.02 0.00 -1.51 0.00 0.00 72.50 67.26 1d2b s THR 26 CO -0.04 -0.33 1.16 -2.16 -2.21 0.00 0.00 174.62 171.04 1d2b s PRO 27 N -3.93 3.88 -0.26 7.08 0.04 -1.26 -4.16 135.00 136.39 1d2b s PRO 27 Ca 0.34 0.91 -0.22 0.00 0.04 0.00 0.00 61.00 62.07 1d2b s PRO 27 Cb -0.09 -3.84 -0.01 0.00 0.04 0.00 0.00 34.50 30.60 1d2b s PRO 27 CO 0.28 -1.16 0.72 -1.21 0.04 0.00 0.00 177.00 175.66 1d2b s GLU 28 N 4.13 4.12 -0.51 4.56 2.02 -0.16 -4.90 118.70 127.96 1d2b s GLU 28 Ca 0.49 0.69 -0.04 0.00 0.02 0.00 0.00 54.97 56.13 1d2b s GLU 28 Cb -0.11 -3.66 0.13 0.00 0.10 0.00 0.00 34.13 30.59 1d2b s GLU 28 CO 0.24 -0.48 0.33 0.08 0.02 0.00 0.00 175.26 175.45 1d2b s VAL 29 N 2.67 3.65 0.61 2.63 1.01 -1.26 -2.56 120.40 127.16 1d2b s VAL 29 Ca 0.30 -2.36 -0.17 0.00 0.00 0.00 0.00 61.98 59.75 1d2b s VAL 29 Cb -0.15 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1d2b s VAL 29 CO 0.08 -0.78 1.16 0.21 0.00 0.00 0.00 175.10 175.77 1d2b s ASN 30 N 1.55 5.19 0.15 3.32 2.47 -1.26 -4.89 114.94 121.47 1d2b s ASN 30 Ca 0.11 2.22 0.26 0.00 0.42 0.00 0.00 52.86 55.87 1d2b s ASN 30 Cb -0.22 -2.58 0.83 0.00 -1.45 0.00 0.00 41.25 37.83 1d2b s ASN 30 CO -0.04 -1.59 1.73 0.00 -3.72 0.00 0.00 177.10 173.49 1d2b n GLN 31 N -1.88 0.20 -3.00 0.43 1.13 -1.26 -4.07 117.38 108.93 1d2b n GLN 31 Ca 0.12 0.15 -0.15 0.00 -1.94 0.00 0.00 57.00 55.18 1d2b n GLN 31 Cb 0.51 -1.71 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 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 -2.06 0.23 0.02 5.09 -1.04 -1.26 -4.81 114.28 110.45 1d2b n THR 32 Ca 0.06 -4.03 0.00 0.00 -2.04 0.00 0.00 64.05 58.04 1d2b n THR 32 Cb 0.41 0.08 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 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 0.16 0.24 -0.08 12.58 5.66 -1.26 -4.99 114.28 126.60 1d2b n THR 33 Ca 0.19 0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 1d2b n THR 33 Cb 0.72 -1.21 0.00 0.00 -1.55 0.00 0.00 70.33 68.29 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 -3.03 0.00 -4.08 1.09 4.77 -1.26 -4.89 117.00 109.59 1d2b n LEU 34 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1d2b n LEU 34 Cb 0.25 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.25 1d2b n LEU 34 CO 0.00 0.00 -0.21 -0.72 -1.33 0.00 0.00 177.39 175.13 1d2b s TYR 35 N -2.58 0.69 0.31 -1.77 1.13 -1.26 1.10 117.35 114.98 1d2b s TYR 35 Ca 0.00 -1.07 0.03 0.00 -1.41 0.00 0.00 57.07 54.62 1d2b s TYR 35 Cb 0.00 -0.34 -0.06 0.00 -1.10 0.00 0.00 41.96 40.47 1d2b s TYR 35 CO 0.00 -0.58 0.08 -0.65 -2.51 0.00 0.00 175.55 171.89 1d2b s GLN 36 N -4.02 1.59 0.03 -3.49 -0.21 0.42 -4.10 119.66 109.89 1d2b s GLN 36 Ca 0.21 -1.89 0.05 0.00 0.02 0.00 0.00 55.36 53.75 1d2b s GLN 36 Cb 0.06 -0.61 -0.02 0.00 1.00 0.00 0.00 33.01 33.44 1d2b s GLN 36 CO 0.01 -0.26 -0.14 1.03 -2.12 0.00 0.00 175.29 173.81 1d2b s ARG 37 N -3.92 0.96 0.07 2.91 0.52 -1.06 -1.67 118.95 116.76 1d2b s ARG 37 Ca 0.36 -0.70 0.08 0.00 -0.52 0.00 0.00 55.73 54.96 1d2b s ARG 37 Cb 0.08 -0.95 -0.03 0.00 0.52 0.00 0.00 34.95 34.56 1d2b s ARG 37 CO 0.15 0.24 -0.23 0.71 0.02 0.00 0.00 175.30 176.19 1d2b s TYR 38 N -0.74 1.97 -0.04 -0.53 2.02 -0.59 -0.99 117.35 118.47 1d2b s TYR 38 Ca 0.02 -0.39 -0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1d2b s TYR 38 Cb -0.07 -1.14 -0.04 0.00 -0.40 0.00 0.00 41.96 40.30 1d2b s TYR 38 CO 0.01 0.16 0.21 -1.21 -1.57 0.00 0.00 175.55 173.15 1d2b s GLU 39 N -1.49 3.52 0.33 -0.62 2.02 -1.26 -1.36 118.70 119.85 1d2b s GLU 39 Ca 0.09 -0.13 0.04 0.00 0.02 0.00 0.00 54.97 54.99 1d2b s GLU 39 Cb -0.09 -3.12 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 1d2b s GLU 39 CO 0.03 0.70 0.18 0.96 0.02 0.00 0.00 175.26 177.14 1d2b s ILE 40 N -1.22 0.32 -0.82 -1.63 -4.36 -0.83 -1.01 121.20 111.66 1d2b s ILE 40 Ca 0.24 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 1d2b s ILE 40 Cb -0.13 -2.47 0.20 0.00 1.25 0.00 0.00 42.46 41.31 1d2b s ILE 40 CO 0.13 0.00 0.67 1.17 0.24 0.00 0.00 174.94 177.16 1d2b n LYS 41 N -0.66 2.33 -1.60 0.37 4.81 0.92 -4.63 118.16 119.70 1d2b n LYS 41 Ca 0.01 -4.50 -0.50 0.00 -0.87 0.00 0.00 58.31 52.45 1d2b n LYS 41 Cb 0.64 -2.36 -0.06 0.00 0.02 0.00 0.00 35.03 33.28 1d2b n LYS 41 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1d2b n MET 42 N 2.09 1.63 -0.02 1.64 0.00 -1.26 -1.31 117.12 119.89 1d2b n MET 42 Ca 0.21 0.54 -0.00 0.00 -0.00 0.00 0.00 57.70 58.45 1d2b n MET 42 Cb 0.36 -2.57 -0.00 0.00 0.00 0.00 0.00 33.22 31.01 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 6.18 0.00 -3.15 1.12 2.02 -1.06 -3.47 112.91 114.54 1d2b h THR 43 Ca -0.40 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 66.32 1d2b h THR 43 Cb 1.29 0.00 -0.25 0.00 -1.74 0.00 0.00 68.15 67.45 1d2b h THR 43 CO 0.98 0.00 -0.43 -0.75 0.37 0.00 0.00 175.52 175.69 1d2b s LYS 44 N -1.23 0.30 -0.09 6.66 2.36 0.94 -4.99 119.74 123.68 1d2b s LYS 44 Ca -0.01 0.31 -0.16 0.00 -2.55 0.00 0.00 55.97 53.55 1d2b s LYS 44 Cb 0.00 0.15 -0.05 0.00 -1.05 0.00 0.00 37.83 36.88 1d2b s LYS 44 CO 0.02 -0.04 0.42 0.00 1.55 0.00 0.00 175.35 177.31 1d2b s MET 45 N 0.05 4.21 -0.21 4.03 0.23 -1.26 0.93 119.30 127.28 1d2b s MET 45 Ca -0.01 0.37 0.07 0.00 -1.03 0.00 0.00 55.69 55.10 1d2b s MET 45 Cb -0.02 -3.38 -0.18 0.00 -1.53 0.00 0.00 34.83 29.73 1d2b s MET 45 CO 0.00 0.32 -0.11 0.66 -2.03 0.00 0.00 175.02 173.86 1d2b n TYR 46 N 3.15 0.00 -3.77 3.16 4.02 0.32 -4.93 117.16 119.11 1d2b n TYR 46 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.67 1d2b n TYR 46 Cb 0.52 -0.89 -0.12 0.00 -0.02 0.00 0.00 39.34 38.83 1d2b n TYR 46 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1d2b s LYS 47 N -2.46 0.29 0.00 -0.72 2.20 0.31 -4.87 119.74 114.49 1d2b s LYS 47 Ca -0.23 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1d2b s LYS 47 Cb 0.07 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.49 1d2b s LYS 47 CO 0.61 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.95 1d2b n GLY 48 N 3.18 0.05 0.26 5.54 0.00 -1.26 0.10 105.19 113.06 1d2b n GLY 48 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.61 -0.90 1.61 0.04 -1.89 -1.53 116.94 114.88 1d2b h PHE 49 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1d2b h PHE 49 Cb 0.00 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.94 1d2b h PHE 49 CO 0.00 0.23 0.58 -0.56 -0.60 0.00 0.00 178.31 177.96 1d2b h GLN 50 N 0.59 1.20 -0.37 1.51 3.07 -1.96 -2.16 115.11 117.00 1d2b h GLN 50 Ca 0.33 -0.09 0.06 0.00 0.09 0.00 0.00 58.65 59.05 1d2b h GLN 50 Cb 0.33 -0.26 -0.09 0.00 0.08 0.00 0.00 27.48 27.53 1d2b h GLN 50 CO -0.25 0.81 -0.43 0.00 0.09 0.00 0.00 178.83 179.05 1d2b h ALA 51 N 1.32 -0.46 -3.00 0.06 0.00 -1.60 -3.46 119.26 112.11 1d2b h ALA 51 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1d2b h ALA 51 Cb -0.11 0.88 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1d2b h ALA 51 CO -0.07 -0.88 0.00 1.47 0.00 0.00 0.00 179.25 179.77 1d2b n LEU 52 N -5.42 0.00 -2.85 0.00 -0.00 -0.81 -5.03 117.00 102.89 1d2b n LEU 52 Ca -0.01 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.82 1d2b n LEU 52 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.77 1d2b n LEU 52 CO 0.05 0.00 -0.06 0.61 -0.00 0.00 0.00 177.39 177.99 1d2b n GLY 53 N 0.00 3.67 0.00 1.47 0.00 -1.26 -4.71 105.19 104.36 1d2b n GLY 53 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1d2b n GLY 53 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1d2b n ASP 54 N -0.05 0.00 -0.01 1.61 5.75 -1.23 -1.77 116.55 120.84 1d2b n ASP 54 Ca 0.23 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.89 1d2b n ASP 54 Cb 0.67 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.68 1d2b n ASP 54 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1d2b h ALA 55 N 1.18 0.08 0.00 2.12 0.00 -1.92 -3.39 119.26 117.34 1d2b h ALA 55 Ca 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1d2b h ALA 55 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1d2b h ALA 55 CO 0.00 -0.25 -1.10 0.00 0.00 0.00 0.00 179.25 177.89 1d2b n ALA 56 N -2.27 2.02 0.37 0.00 0.00 -0.82 -4.65 120.51 115.16 1d2b n ALA 56 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1d2b n ALA 56 Cb 0.18 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.79 0.07 -3.84 0.00 -0.08 -0.73 -4.10 116.55 106.07 1d2b n ASP 57 Ca -0.02 -0.44 -0.28 0.00 -1.51 0.00 0.00 54.79 52.54 1d2b n ASP 57 Cb 0.28 -0.04 -0.12 0.00 2.34 0.00 0.00 41.12 43.59 1d2b n ASP 57 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1d2b n ILE 58 N -0.21 1.67 0.19 5.18 2.08 -1.26 -4.83 119.36 122.17 1d2b n ILE 58 Ca 0.00 -4.88 0.02 0.00 0.56 0.00 0.00 62.75 58.45 1d2b n ILE 58 Cb 0.02 -2.17 0.01 0.00 -0.75 0.00 0.00 39.64 36.75 1d2b n ILE 58 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1d2b n ARG 59 N 1.85 1.25 -3.73 0.38 1.74 -1.26 -4.52 116.66 112.37 1d2b n ARG 59 Ca 0.21 -0.57 -0.13 0.00 -0.77 0.00 0.00 57.85 56.59 1d2b n ARG 59 Cb 0.36 -0.98 -0.08 0.00 -1.02 0.00 0.00 32.46 30.74 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 -0.65 -0.21 -0.12 -1.55 0.40 -1.26 -1.96 117.98 112.62 1d2b s PHE 60 Ca 0.04 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.69 1d2b s PHE 60 Cb 0.04 0.13 0.00 0.00 0.51 0.00 0.00 43.02 43.70 1d2b s PHE 60 CO 0.09 -0.44 -0.21 0.14 0.70 0.00 0.00 175.22 175.50 1d2b s VAL 61 N -1.58 2.26 -0.39 -0.44 -7.23 -0.46 -4.16 120.40 108.40 1d2b s VAL 61 Ca -0.12 -0.93 -0.09 0.00 -1.81 0.00 0.00 61.98 59.03 1d2b s VAL 61 Cb -0.04 -1.90 0.05 0.00 0.56 0.00 0.00 36.38 35.06 1d2b s VAL 61 CO 0.03 0.55 0.21 -0.31 -0.31 0.00 0.00 175.10 175.27 1d2b s TYR 62 N 0.53 3.29 -0.03 2.82 1.51 0.16 -1.54 117.35 124.08 1d2b s TYR 62 Ca -0.13 -1.32 0.04 0.00 -1.01 0.00 0.00 57.07 54.65 1d2b s TYR 62 Cb -0.17 -2.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.01 1d2b s TYR 62 CO 0.04 -0.76 -0.14 -0.08 -1.11 0.00 0.00 175.55 173.51 1d2b s THR 63 N 1.46 3.11 0.50 -0.71 -1.32 -0.67 -3.07 115.64 114.95 1d2b s THR 63 Ca 0.02 -0.77 -0.23 0.00 -1.21 0.00 0.00 61.69 59.50 1d2b s THR 63 Cb -0.21 -2.24 -0.07 0.00 -1.51 0.00 0.00 72.50 68.47 1d2b s THR 63 CO 0.04 0.54 1.24 -2.65 -2.21 0.00 0.00 174.62 171.58 1d2b n PRO 64 N 2.14 1.63 -2.96 7.08 -0.02 -1.17 0.16 135.00 141.85 1d2b n PRO 64 Ca -0.17 0.59 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 1d2b n PRO 64 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 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 -0.82 5.27 -2.50 3.55 0.00 8.19 -3.81 120.51 130.39 1d2b n ALA 65 Ca 0.09 -4.77 -0.12 0.00 0.00 0.00 0.00 53.44 48.65 1d2b n ALA 65 Cb 0.43 -2.16 -0.08 0.00 0.00 0.00 0.00 19.45 17.63 1d2b n ALA 65 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1d2b s MET 66 N -3.11 1.35 0.19 0.00 0.00 -1.25 -4.56 119.30 111.93 1d2b s MET 66 Ca 0.34 -1.56 -0.29 0.00 0.00 0.00 0.00 55.69 54.18 1d2b s MET 66 Cb 0.09 0.33 -0.08 0.00 0.00 0.00 0.00 34.83 35.18 1d2b s MET 66 CO 0.05 -0.49 0.92 -1.21 0.00 0.00 0.00 175.02 174.29 1d2b s GLU 67 N -4.03 4.77 -1.67 4.11 2.02 -1.26 -3.42 118.70 119.22 1d2b s GLU 67 Ca 0.34 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.76 1d2b s GLU 67 Cb 0.04 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1d2b s GLU 67 CO 0.12 0.43 0.00 0.45 0.02 0.00 0.00 175.26 176.28 1d2b n SER 68 N 1.93 -4.94 -1.00 -0.19 2.88 -1.26 -4.95 113.62 106.09 1d2b n SER 68 Ca -0.01 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1d2b n SER 68 Cb 0.48 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.68 1d2b n SER 68 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1d2b n VAL 69 N -3.08 0.00 -2.24 2.46 3.14 -1.22 -4.20 118.33 113.19 1d2b n VAL 69 Ca -0.20 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.78 1d2b n VAL 69 Cb 0.62 -1.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.41 1d2b n VAL 69 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1d2b s GLY 71 N -0.29 1.58 -0.89 0.00 0.00 -1.25 -3.05 107.32 103.42 1d2b s GLY 71 Ca 0.48 -1.25 -0.24 0.00 0.00 0.00 0.00 44.72 43.71 1d2b s GLY 71 CO -0.11 1.78 1.79 -0.47 0.00 0.00 0.00 173.10 176.09 1d2b s TYR 72 N 3.32 1.99 -0.65 1.90 6.14 -1.26 -4.81 117.35 123.98 1d2b s TYR 72 Ca 0.26 0.26 -0.26 0.00 0.64 0.00 0.00 57.07 57.98 1d2b s TYR 72 Cb -0.14 -4.23 -0.04 0.00 0.42 0.00 0.00 41.96 37.97 1d2b s TYR 72 CO 0.19 -1.87 2.03 -0.06 0.64 0.00 0.00 175.55 176.49 1d2b s PHE 73 N 8.56 1.52 -0.45 4.97 0.40 -1.26 -4.91 117.98 126.81 1d2b s PHE 73 Ca 0.62 1.02 -0.15 0.00 -0.60 0.00 0.00 56.93 57.83 1d2b s PHE 73 Cb -0.06 -3.92 0.06 0.00 0.51 0.00 0.00 43.02 39.61 1d2b s PHE 73 CO -0.00 -2.22 0.36 -1.58 0.70 0.00 0.00 175.22 172.48 1d2b s HIS 74 N 10.34 3.25 -0.40 0.36 5.65 -1.26 -4.94 115.29 128.29 1d2b s HIS 74 Ca 0.76 -0.89 0.12 0.00 0.25 0.00 0.00 55.06 55.29 1d2b s HIS 74 Cb -0.13 -2.99 0.38 0.00 -1.18 0.00 0.00 32.58 28.67 1d2b s HIS 74 CO 0.17 -0.75 0.86 2.89 -0.65 0.00 0.00 174.74 177.27 1d2b n ARG 75 N 5.16 1.62 -3.64 2.88 0.00 -1.26 -5.06 116.66 116.36 1d2b n ARG 75 Ca -0.12 -3.70 -0.40 0.00 -0.00 0.00 0.00 57.85 53.64 1d2b n ARG 75 Cb 0.44 -1.72 -0.11 0.00 -0.00 0.00 0.00 32.46 31.07 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 -2.89 5.58 0.10 2.89 0.01 -1.26 -4.98 113.70 113.15 1d2b s SER 76 Ca 0.39 -1.22 -0.31 0.00 1.31 0.00 0.00 55.95 56.12 1d2b s SER 76 Cb 0.37 -1.97 -0.12 0.00 0.21 0.00 0.00 66.02 64.52 1d2b s SER 76 CO -0.07 -0.42 1.60 -0.74 0.41 0.00 0.00 173.24 174.02 1d2b h HIS 77 N 8.36 -1.08 -1.74 2.43 2.76 -1.97 -3.38 115.15 120.53 1d2b h HIS 77 Ca -0.24 0.02 -0.48 0.00 -2.20 0.00 0.00 60.37 57.47 1d2b h HIS 77 Cb 1.09 0.44 -0.00 0.00 1.55 0.00 0.00 27.41 30.49 1d2b h HIS 77 CO 0.59 -0.52 1.56 1.21 -1.30 0.00 0.00 177.93 179.47 1d2b s ASN 78 N -4.63 4.70 0.32 3.26 3.04 -1.26 -4.79 114.94 115.58 1d2b s ASN 78 Ca -0.17 1.00 0.23 0.00 0.04 0.00 0.00 52.86 53.97 1d2b s ASN 78 Cb 0.06 -2.51 0.31 0.00 -1.54 0.00 0.00 41.25 37.58 1d2b s ASN 78 CO 0.63 -2.69 1.45 0.03 -3.04 0.00 0.00 177.10 173.48 1d2b h ARG 79 N 18.21 0.00 -0.01 0.43 3.08 -1.75 -3.11 114.38 131.23 1d2b h ARG 79 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1d2b h ARG 79 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1d2b h ARG 79 CO 1.15 0.00 -0.20 -1.13 -1.07 0.00 0.00 179.97 178.73 1d2b n SER 80 N -2.78 1.22 -4.69 7.04 3.41 -1.26 -3.89 113.62 112.67 1d2b n SER 80 Ca 0.03 -1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 57.13 1d2b n SER 80 Cb 0.51 0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 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 -2.37 4.37 0.32 4.33 2.56 -1.18 -5.00 118.70 121.74 1d2b s GLU 81 Ca 0.28 1.55 -0.28 0.00 0.00 0.00 0.00 54.97 56.51 1d2b s GLU 81 Cb 0.20 -3.56 -0.10 0.00 2.00 0.00 0.00 34.13 32.67 1d2b s GLU 81 CO 0.47 -0.41 1.18 -1.21 -0.56 0.00 0.00 175.26 174.73 1d2b s GLU 82 N 2.21 4.45 0.48 4.30 2.02 -1.26 -4.43 118.70 126.46 1d2b s GLU 82 Ca 0.52 1.94 0.03 0.00 0.02 0.00 0.00 54.97 57.49 1d2b s GLU 82 Cb -0.22 -3.06 -0.03 0.00 0.10 0.00 0.00 34.13 30.92 1d2b s GLU 82 CO 0.20 -0.01 0.02 -0.06 0.02 0.00 0.00 175.26 175.42 1d2b s PHE 83 N -1.20 2.09 -0.14 1.61 0.40 0.48 -3.18 117.98 118.04 1d2b s PHE 83 Ca 0.48 -0.85 0.02 0.00 -0.60 0.00 0.00 56.93 55.98 1d2b s PHE 83 Cb -0.34 -1.68 0.02 0.00 0.51 0.00 0.00 43.02 41.52 1d2b s PHE 83 CO 0.44 0.28 -0.18 -1.17 0.70 0.00 0.00 175.22 175.30 1d2b s LEU 84 N -3.83 1.88 -0.24 -0.37 1.98 0.20 -1.49 118.68 116.81 1d2b s LEU 84 Ca 0.17 -0.52 0.01 0.00 -2.89 0.00 0.00 54.13 50.90 1d2b s LEU 84 Cb 0.04 -1.27 0.06 0.00 0.66 0.00 0.00 46.19 45.69 1d2b s LEU 84 CO 0.09 0.02 -0.05 -0.63 -1.89 0.00 0.00 176.35 173.88 1d2b s ILE 85 N 1.08 1.62 -0.29 6.68 1.01 0.10 -2.14 121.20 129.27 1d2b s ILE 85 Ca -0.03 -1.32 -0.11 0.00 0.00 0.00 0.00 60.65 59.19 1d2b s ILE 85 Cb -0.14 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1d2b s ILE 85 CO -0.05 -0.13 0.18 0.00 0.00 0.00 0.00 174.94 174.94 1d2b s ALA 86 N 1.34 3.46 0.28 9.38 0.00 -0.77 0.11 121.76 135.56 1d2b s ALA 86 Ca -0.05 -1.16 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 1d2b s ALA 86 Cb -0.19 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.55 1d2b s ALA 86 CO -0.07 -0.63 0.91 0.20 0.00 0.00 0.00 175.76 176.17 1d2b s GLY 87 N 1.72 0.21 0.10 0.00 0.00 0.20 -4.29 107.32 105.27 1d2b s GLY 87 Ca 0.07 -0.51 0.10 0.00 0.00 0.00 0.00 44.72 44.37 1d2b s GLY 87 CO 0.10 0.95 -0.25 0.54 0.00 0.00 0.00 173.10 174.43 1d2b s LYS 88 N -2.34 1.62 0.18 2.90 1.02 -1.22 0.30 119.74 122.20 1d2b s LYS 88 Ca 0.18 -1.23 -0.12 0.00 0.02 0.00 0.00 55.97 54.82 1d2b s LYS 88 Cb -0.04 -1.98 -0.07 0.00 -0.52 0.00 0.00 37.83 35.22 1d2b s LYS 88 CO 0.08 0.48 0.54 -0.51 -0.92 0.00 0.00 175.35 175.02 1d2b s LEU 89 N -1.82 4.27 -0.23 3.17 1.43 -1.26 -2.17 118.68 122.07 1d2b s LEU 89 Ca 0.14 1.00 0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1d2b s LEU 89 Cb -0.10 -3.43 0.05 0.00 0.03 0.00 0.00 46.19 42.73 1d2b s LEU 89 CO 0.06 0.03 -0.12 -1.10 0.23 0.00 0.00 176.35 175.45 1d2b s GLN 90 N -2.32 2.25 -0.13 1.70 -1.52 0.31 -4.76 119.66 115.20 1d2b s GLN 90 Ca 0.42 -1.08 -0.02 0.00 -1.95 0.00 0.00 55.36 52.73 1d2b s GLN 90 Cb -0.13 -2.67 0.02 0.00 -0.22 0.00 0.00 33.01 30.00 1d2b s GLN 90 CO 0.20 -0.47 0.04 -0.25 -0.25 0.00 0.00 175.29 174.56 1d2b n ASP 91 N 4.56 -1.04 0.00 5.90 9.92 -1.26 0.69 116.55 135.31 1d2b n ASP 91 Ca -0.15 0.38 0.00 0.00 -0.53 0.00 0.00 54.79 54.48 1d2b n ASP 91 Cb 0.45 -1.03 0.00 0.00 -0.64 0.00 0.00 41.12 39.90 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 -0.53 3.25 3.76 0.44 0.00 -1.26 -5.08 105.19 105.77 1d2b n GLY 92 Ca 0.01 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1d2b n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d2b s LEU 93 N 0.00 4.53 0.59 0.99 1.43 0.22 -4.98 118.68 121.46 1d2b s LEU 93 Ca 0.00 2.32 -0.18 0.00 -1.03 0.00 0.00 54.13 55.24 1d2b s LEU 93 Cb 0.00 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.56 1d2b s LEU 93 CO 0.00 -0.20 1.13 -0.22 0.23 0.00 0.00 176.35 177.29 1d2b s LEU 94 N -1.41 3.61 -0.00 1.79 2.96 -1.26 0.12 118.68 124.49 1d2b s LEU 94 Ca 0.45 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 1d2b s LEU 94 Cb -0.33 -4.57 0.00 0.00 0.50 0.00 0.00 46.19 41.79 1d2b s LEU 94 CO 0.42 -1.42 -0.00 -1.00 -1.32 0.00 0.00 176.35 173.03 1d2b s HIS 95 N -1.95 0.05 -0.03 5.38 3.76 -0.92 0.37 115.29 121.95 1d2b s HIS 95 Ca 0.71 0.00 0.05 0.00 -0.15 0.00 0.00 55.06 55.68 1d2b s HIS 95 Cb -0.23 -0.06 -0.01 0.00 1.11 0.00 0.00 32.58 33.39 1d2b s HIS 95 CO 0.33 -0.01 -0.18 0.42 -0.85 0.00 0.00 174.74 174.45 1d2b s ILE 96 N 0.11 1.46 -0.00 0.60 -1.09 -1.17 -3.40 121.20 117.71 1d2b s ILE 96 Ca -0.01 -0.76 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1d2b s ILE 96 Cb -0.02 -1.24 -0.01 0.00 -1.58 0.00 0.00 42.46 39.61 1d2b s ILE 96 CO -0.00 0.42 -0.11 0.42 -1.23 0.00 0.00 174.94 174.44 1d2b s THR 97 N -0.18 0.86 -1.47 2.92 -4.23 -1.26 -4.46 115.64 107.82 1d2b s THR 97 Ca 0.01 -0.50 0.08 0.00 -1.18 0.00 0.00 61.69 60.11 1d2b s THR 97 Cb -0.10 -0.72 0.15 0.00 1.34 0.00 0.00 72.50 73.17 1d2b s THR 97 CO 0.01 0.22 1.12 0.35 -0.54 0.00 0.00 174.62 175.77 1d2b n THR 98 N 2.75 0.77 -1.07 3.99 -2.24 -1.21 -0.86 114.28 116.40 1d2b n THR 98 Ca -0.14 0.19 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 1d2b n THR 98 Cb 0.56 -1.06 0.30 0.00 -2.10 0.00 0.00 70.33 68.03 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 -1.19 2.54 -0.41 0.00 0.01 -0.04 -4.77 113.70 109.84 1d2b s SER 100 Ca 0.54 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 56.56 1d2b s SER 100 Cb 0.44 -0.14 0.02 0.00 0.21 0.00 0.00 66.02 66.55 1d2b s SER 100 CO 0.12 -0.13 1.27 0.12 0.41 0.00 0.00 173.24 175.03 1d2b s PHE 101 N -2.62 2.66 -0.24 2.43 2.19 -1.26 -4.74 117.98 116.39 1d2b s PHE 101 Ca 0.19 0.76 -0.03 0.00 0.33 0.00 0.00 56.93 58.19 1d2b s PHE 101 Cb -0.03 -4.25 0.11 0.00 -1.31 0.00 0.00 43.02 37.55 1d2b s PHE 101 CO 0.06 -1.58 0.26 0.08 1.83 0.00 0.00 175.22 175.87 1d2b s VAL 102 N 4.77 -0.37 0.33 3.12 1.01 -1.26 -1.85 120.40 126.14 1d2b s VAL 102 Ca 0.54 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 1d2b s VAL 102 Cb -0.12 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.48 1d2b s VAL 102 CO 0.29 -0.31 0.70 0.00 0.00 0.00 0.00 175.10 175.79 1d2b s ALA 103 N 2.35 -0.76 0.03 5.51 0.00 -0.91 -5.02 121.76 122.96 1d2b s ALA 103 Ca 0.08 -0.65 -0.33 0.00 0.00 0.00 0.00 51.96 51.07 1d2b s ALA 103 Cb -0.15 0.83 -0.11 0.00 0.00 0.00 0.00 23.12 23.68 1d2b s ALA 103 CO -0.21 -0.98 1.84 -2.30 0.00 0.00 0.00 175.76 174.11 1d2b n PRO 104 N -0.49 2.45 -0.07 0.00 -0.02 -1.26 0.59 135.00 136.21 1d2b n PRO 104 Ca -0.05 0.90 -0.08 0.00 -2.02 0.00 0.00 63.50 62.24 1d2b n PRO 104 Cb 0.60 -2.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1d2b n PRO 104 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1d2b h TRP 105 N 8.79 -0.76 -0.06 6.00 -0.00 -1.65 0.44 115.95 128.71 1d2b h TRP 105 Ca -0.48 0.05 0.02 0.00 -0.00 0.00 0.00 58.89 58.48 1d2b h TRP 105 Cb 1.25 0.38 -0.00 0.00 -0.00 0.00 0.00 29.16 30.78 1d2b h TRP 105 CO 0.83 -0.35 0.48 -0.91 -0.00 0.00 0.00 178.44 178.49 1d2b h ASN 106 N -0.27 0.00 0.25 2.65 -0.26 -1.89 1.11 115.58 117.17 1d2b h ASN 106 Ca 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.89 1d2b h ASN 106 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 1d2b h ASN 106 CO -0.44 0.00 -0.21 -0.24 -1.06 0.00 0.00 177.43 175.48 1d2b n SER 107 N -2.91 0.93 -4.82 5.81 2.88 0.15 -4.90 113.62 110.76 1d2b n SER 107 Ca -0.00 -0.85 -0.33 0.00 -1.33 0.00 0.00 58.87 56.36 1d2b n SER 107 Cb 0.53 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 64.02 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 -2.47 3.88 0.87 2.46 2.01 0.38 -5.03 118.68 120.78 1d2b s LEU 108 Ca 0.26 1.72 -0.12 0.00 0.01 0.00 0.00 54.13 56.01 1d2b s LEU 108 Cb 0.19 -4.54 0.11 0.00 0.01 0.00 0.00 46.19 41.96 1d2b s LEU 108 CO 0.50 -0.48 1.11 -1.20 1.01 0.00 0.00 176.35 177.30 1d2b n SER 109 N -0.82 0.47 0.13 2.29 7.64 -1.26 -4.69 113.62 117.38 1d2b n SER 109 Ca 0.07 0.50 -0.01 0.00 1.01 0.00 0.00 58.87 60.44 1d2b n SER 109 Cb 0.54 -1.47 0.24 0.00 -1.01 0.00 0.00 64.21 62.51 1d2b n SER 109 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1d2b h LEU 110 N -1.39 0.12 0.09 -3.43 -0.00 -1.96 1.43 115.31 110.16 1d2b h LEU 110 Ca -0.45 -0.05 -0.30 0.00 -0.00 0.00 0.00 57.88 57.08 1d2b h LEU 110 Cb 1.29 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.90 1d2b h LEU 110 CO 0.43 0.57 -1.55 0.00 -0.00 0.00 0.00 178.44 177.89 1d2b h ALA 111 N 1.44 0.38 -0.01 0.17 0.00 -1.98 -2.63 119.26 116.63 1d2b h ALA 111 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.74 1d2b h ALA 111 Cb 0.86 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1d2b h ALA 111 CO 0.07 1.24 -0.04 0.94 0.00 0.00 0.00 179.25 181.46 1d2b n GLN 112 N -3.37 1.32 0.01 0.00 7.27 -1.04 0.20 117.38 121.76 1d2b n GLN 112 Ca -0.16 -0.61 -0.12 0.00 0.07 0.00 0.00 57.00 56.17 1d2b n GLN 112 Cb 1.03 -1.49 -0.14 0.00 2.41 0.00 0.00 30.24 32.06 1d2b n GLN 112 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 1d2b h ARG 113 N 1.50 0.10 0.17 3.69 9.65 0.20 -3.13 114.38 126.56 1d2b h ARG 113 Ca 0.00 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1d2b h ARG 113 Cb 0.37 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.02 1d2b h ARG 113 CO 0.00 0.81 -0.08 -0.09 2.80 0.00 0.00 179.97 183.41 1d2b h ARG 114 N 0.03 -0.22 -1.15 0.20 1.12 -0.87 -3.15 114.38 110.34 1d2b h ARG 114 Ca -0.27 0.02 0.35 0.00 -1.11 0.00 0.00 59.98 58.97 1d2b h ARG 114 Cb 1.99 0.05 -0.12 0.00 -0.01 0.00 0.00 29.97 31.88 1d2b h ARG 114 CO 0.10 -0.00 0.72 0.78 -3.11 0.00 0.00 179.97 178.46 1d2b h GLY 115 N -1.02 1.49 1.97 2.80 0.00 0.21 1.86 103.07 110.37 1d2b h GLY 115 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1d2b h GLY 115 CO 0.04 -0.35 -0.02 0.74 0.00 0.00 0.00 176.54 176.95 1d2b h PHE 116 N 0.24 0.00 0.00 5.60 0.04 -1.64 2.07 116.94 123.26 1d2b h PHE 116 Ca 0.73 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.50 1d2b h PHE 116 Cb 2.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.15 1d2b h PHE 116 CO -0.01 0.00 -1.05 -2.37 -0.60 0.00 0.00 178.31 174.28 1d2b n THR 117 N -2.53 0.21 0.00 -1.55 5.66 0.56 -4.73 114.28 111.90 1d2b n THR 117 Ca 0.05 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1d2b n THR 117 Cb 0.46 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1d2b n THR 117 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1d2b n LYS 118 N -2.05 0.00 0.03 1.09 2.85 0.26 -5.01 118.16 115.33 1d2b n LYS 118 Ca 0.01 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.39 1d2b n LYS 118 Cb 0.45 -0.37 -0.08 0.00 -0.65 0.00 0.00 35.03 34.38 1d2b n LYS 118 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1d2b n THR 119 N -1.74 0.23 -0.53 0.58 -1.04 0.64 -4.44 114.28 107.99 1d2b n THR 119 Ca 0.00 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.05 61.55 1d2b n THR 119 Cb 0.00 -0.03 0.26 0.00 -1.82 0.00 0.00 70.33 68.74 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 -2.31 1.82 -0.10 -1.42 4.01 0.22 -2.01 117.16 117.38 1d2b n TYR 120 Ca -0.01 -0.83 -0.11 0.00 -0.16 0.00 0.00 57.90 56.79 1d2b n TYR 120 Cb 0.53 -0.52 -0.15 0.00 -0.31 0.00 0.00 39.34 38.88 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 0.13 1.42 0.00 -0.72 -2.24 -1.26 -3.85 114.28 107.76 1d2b n THR 121 Ca 0.28 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1d2b n THR 121 Cb 1.10 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1d2b n THR 121 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1d2b n VAL 122 N -2.83 0.00 -1.89 2.28 0.31 -1.26 -4.73 118.33 110.21 1d2b n VAL 122 Ca -0.34 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 63.91 1d2b n VAL 122 Cb 1.13 -0.15 0.11 0.00 -0.91 0.00 0.00 33.84 34.02 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 2.50 5.36 2.25 2.92 0.00 -0.85 -4.91 105.19 112.46 1d2b n GLY 123 Ca 0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 46.02 44.12 1d2b n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2b s GLU 125 N 2.43 1.47 0.00 0.00 -1.05 -1.25 -3.08 118.70 117.21 1d2b s GLU 125 Ca 0.03 -2.22 0.00 0.00 -0.15 0.00 0.00 54.97 52.63 1d2b s GLU 125 Cb 0.01 -2.53 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 1d2b s GLU 125 CO 0.00 -1.17 0.00 0.39 0.95 0.00 0.00 175.26 175.43