#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bye h GLU 2 N 0.00 0.00 -5.90 1.61 4.81 -2.12 -3.43 114.58 109.55 2bye h GLU 2 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.63 2bye h GLU 2 Cb 0.00 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.29 2bye h GLU 2 CO 0.00 0.00 0.50 -1.21 -0.73 0.00 0.00 179.01 177.57 2bye s GLU 3 N -1.44 3.98 -0.02 1.92 2.02 -1.26 -4.92 118.70 118.98 2bye s GLU 3 Ca -0.02 0.69 0.09 0.00 0.02 0.00 0.00 54.97 55.74 2bye s GLU 3 Cb 0.00 -3.73 0.28 0.00 0.10 0.00 0.00 34.13 30.78 2bye s GLU 3 CO 0.03 -0.74 1.18 0.54 0.02 0.00 0.00 175.26 176.29 2bye n ARG 4 N 6.37 1.89 -4.26 1.61 1.74 -1.26 -4.75 116.66 118.00 2bye n ARG 4 Ca 0.06 -1.13 -0.17 0.00 -0.77 0.00 0.00 57.85 55.84 2bye n ARG 4 Cb 0.48 -1.36 -0.14 0.00 -1.02 0.00 0.00 32.46 30.42 2bye n ARG 4 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2bye s LYS 5 N -1.62 0.65 0.07 5.56 1.02 -1.26 -5.16 119.74 119.00 2bye s LYS 5 Ca 0.21 -0.43 0.06 0.00 0.02 0.00 0.00 55.97 55.83 2bye s LYS 5 Cb 0.12 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.81 2bye s LYS 5 CO 0.12 0.15 -0.16 0.00 -0.92 0.00 0.00 175.35 174.54 2bye n LEU 7 N 1.38 0.00 -1.77 0.00 4.77 -1.26 -4.72 117.00 115.39 2bye n LEU 7 Ca -0.20 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.60 2bye n LEU 7 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 2bye n LEU 7 CO 0.22 -0.49 -0.21 0.00 -1.33 0.00 0.00 177.39 175.59 2bye n GLN 8 N -0.17 -1.36 -2.92 3.23 6.02 -1.26 -3.10 117.38 117.82 2bye n GLN 8 Ca 0.00 0.98 -0.43 0.00 -0.01 0.00 0.00 57.00 57.53 2bye n GLN 8 Cb 0.00 -5.38 -0.04 0.00 1.02 0.00 0.00 30.24 25.84 2bye n GLN 8 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2bye s THR 9 N -2.80 4.46 -0.12 5.09 -4.23 -1.26 -3.44 115.64 113.34 2bye s THR 9 Ca 0.00 -0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 59.92 2bye s THR 9 Cb 0.00 -4.64 -0.03 0.00 1.34 0.00 0.00 72.50 69.17 2bye s THR 9 CO 0.00 -1.38 0.02 -1.00 -0.54 0.00 0.00 174.62 171.72 2bye s HIS 10 N 3.69 3.19 -0.05 3.99 3.76 -1.19 -4.78 115.29 123.89 2bye s HIS 10 Ca 0.20 0.10 -0.14 0.00 -0.15 0.00 0.00 55.06 55.07 2bye s HIS 10 Cb -0.18 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.56 2bye s HIS 10 CO 0.09 0.32 0.36 0.50 -0.85 0.00 0.00 174.74 175.15 2bye s ARG 11 N -0.37 3.94 -0.18 1.40 3.52 -1.26 -0.03 118.95 125.97 2bye s ARG 11 Ca 0.08 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.98 2bye s ARG 11 Cb -0.12 -3.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.03 2bye s ARG 11 CO 0.02 0.59 -0.16 0.54 -0.81 0.00 0.00 175.30 175.47 2bye s VAL 12 N -0.68 1.92 -0.29 7.11 0.11 -0.32 -4.90 120.40 123.35 2bye s VAL 12 Ca 0.22 -0.96 -0.29 0.00 -2.93 0.00 0.00 61.98 58.01 2bye s VAL 12 Cb -0.15 -1.81 -0.00 0.00 -1.53 0.00 0.00 36.38 32.89 2bye s VAL 12 CO 0.10 0.41 1.34 -0.89 -3.33 0.00 0.00 175.10 172.74 2bye s THR 13 N 1.32 4.08 -0.13 5.04 2.01 -1.26 -2.28 115.64 124.42 2bye s THR 13 Ca 0.03 1.22 -0.06 0.00 0.31 0.00 0.00 61.69 63.18 2bye s THR 13 Cb -0.14 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 2bye s THR 13 CO -0.11 -0.44 0.10 -0.69 -0.69 0.00 0.00 174.62 172.79 2bye s VAL 14 N 4.48 5.16 -0.92 3.82 1.01 0.67 -4.55 120.40 130.07 2bye s VAL 14 Ca 0.58 0.08 0.12 0.00 0.00 0.00 0.00 61.98 62.77 2bye s VAL 14 Cb -0.18 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.90 2bye s VAL 14 CO 0.24 0.58 0.64 1.41 0.00 0.00 0.00 175.10 177.96 2bye n HIS 15 N 2.39 0.00 -1.25 5.22 8.25 -0.05 -1.03 115.22 128.75 2bye n HIS 15 Ca -0.19 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.28 2bye n HIS 15 Cb 0.54 0.00 0.22 0.00 1.12 0.00 0.00 29.99 31.87 2bye n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bye n GLY 16 N 1.10 4.56 3.65 -1.41 0.00 -1.22 -4.70 105.19 107.17 2bye n GLY 16 Ca 0.04 -1.15 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 2bye n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bye n VAL 17 N -0.91 0.84 0.20 1.61 0.24 -1.26 -4.16 118.33 114.90 2bye n VAL 17 Ca 0.28 -0.11 0.09 0.00 -2.04 0.00 0.00 64.34 62.57 2bye n VAL 17 Cb 0.98 -1.04 0.20 0.00 -1.47 0.00 0.00 33.84 32.51 2bye n VAL 17 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2bye h PRO 18 N -1.45 0.00 -7.07 7.34 0.13 -1.92 -3.47 132.00 125.56 2bye h PRO 18 Ca -0.44 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2bye h PRO 18 Cb 1.28 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.62 2bye h PRO 18 CO 0.42 0.18 -0.13 0.41 -0.23 0.00 0.00 178.00 178.66 2bye n GLY 19 N 0.95 -1.15 0.18 1.56 0.00 -1.26 -4.92 105.19 100.56 2bye n GLY 19 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.31 2bye n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bye h PRO 20 N -1.84 0.00 -7.10 1.61 0.13 -2.02 -3.44 132.00 119.34 2bye h PRO 20 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 2bye h PRO 20 Cb 1.28 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.59 2bye h PRO 20 CO 0.39 0.42 0.29 0.39 -0.23 0.00 0.00 178.00 179.25 2bye n GLU 21 N -3.89 0.46 0.08 0.86 1.02 -1.26 -4.93 120.64 112.99 2bye n GLU 21 Ca -0.01 0.22 -0.10 0.00 -0.02 0.00 0.00 57.16 57.25 2bye n GLU 21 Cb 0.46 -2.39 -0.10 0.00 -0.02 0.00 0.00 31.44 29.40 2bye n GLU 21 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2bye h PRO 22 N -0.43 0.11 -2.58 3.49 0.11 -1.93 -3.44 132.00 127.33 2bye h PRO 22 Ca -0.48 -0.17 -0.10 0.00 0.11 0.00 0.00 66.00 65.36 2bye h PRO 22 Cb 1.32 0.06 -0.26 0.00 0.11 0.00 0.00 31.00 32.23 2bye h PRO 22 CO 0.47 1.05 -0.28 -0.59 -0.21 0.00 0.00 178.00 178.44 2bye s PHE 23 N -2.81 -0.66 0.02 0.65 -0.71 -1.26 -4.58 117.98 108.63 2bye s PHE 23 Ca -0.01 1.37 -0.01 0.00 -1.04 0.00 0.00 56.93 57.24 2bye s PHE 23 Cb 0.09 0.30 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 2bye s PHE 23 CO 0.84 -0.37 -0.01 -0.08 -1.34 0.00 0.00 175.22 174.26 2bye s THR 24 N 1.55 0.10 -0.15 -4.49 -1.32 -0.20 -4.93 115.64 106.19 2bye s THR 24 Ca -0.09 -0.82 -0.03 0.00 -1.21 0.00 0.00 61.69 59.55 2bye s THR 24 Cb -0.09 -0.27 -0.02 0.00 -1.51 0.00 0.00 72.50 70.62 2bye s THR 24 CO -0.13 -0.45 -0.07 -0.69 -2.21 0.00 0.00 174.62 171.07 2bye s VAL 25 N -1.35 3.61 0.00 5.08 1.01 -1.26 -0.24 120.40 127.26 2bye s VAL 25 Ca -0.15 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2bye s VAL 25 Cb -0.09 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 2bye s VAL 25 CO -0.01 0.50 -0.11 -0.36 0.00 0.00 0.00 175.10 175.13 2bye s PHE 26 N 0.40 2.77 0.11 5.22 0.40 -0.97 -4.83 117.98 121.09 2bye s PHE 26 Ca -0.06 -0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 55.95 2bye s PHE 26 Cb -0.15 -1.58 -0.07 0.00 0.51 0.00 0.00 43.02 41.73 2bye s PHE 26 CO 0.04 0.31 0.63 0.99 0.70 0.00 0.00 175.22 177.88 2bye s THR 27 N -0.93 4.64 0.56 0.64 2.01 -1.26 -1.17 115.64 120.13 2bye s THR 27 Ca 0.15 1.32 0.06 0.00 0.31 0.00 0.00 61.69 63.53 2bye s THR 27 Cb -0.11 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.51 2bye s THR 27 CO 0.06 0.51 0.50 0.27 -0.69 0.00 0.00 174.62 175.26 2bye s ILE 28 N -1.17 1.73 -0.15 1.82 -5.25 0.96 -4.94 121.20 114.21 2bye s ILE 28 Ca 0.32 -1.38 -0.25 0.00 -0.99 0.00 0.00 60.65 58.35 2bye s ILE 28 Cb -0.20 -2.11 0.06 0.00 2.95 0.00 0.00 42.46 43.16 2bye s ILE 28 CO 0.21 0.00 0.63 0.54 -1.79 0.00 0.00 174.94 174.53 2bye s ASN 29 N -4.38 -0.63 0.75 4.36 4.22 -1.26 -3.16 114.94 114.85 2bye s ASN 29 Ca 0.40 0.98 0.00 0.00 -2.14 0.00 0.00 52.86 52.10 2bye s ASN 29 Cb -0.03 0.94 0.00 0.00 1.28 0.00 0.00 41.25 43.44 2bye s ASN 29 CO 0.25 -0.39 0.00 0.61 -2.04 0.00 0.00 177.10 175.53 2bye n GLY 30 N 1.91 0.84 2.72 0.45 0.00 -1.18 -3.84 105.19 106.09 2bye n GLY 30 Ca -0.16 0.42 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2bye n GLY 30 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bye s GLY 31 N 0.00 0.10 -0.12 -0.02 0.00 -1.26 -4.84 107.32 101.18 2bye s GLY 31 Ca 0.00 -1.14 -0.14 0.00 0.00 0.00 0.00 44.72 43.44 2bye s GLY 31 CO 0.00 2.66 0.32 -0.51 0.00 0.00 0.00 173.10 175.57 2bye s THR 32 N 1.31 5.26 0.71 0.90 -4.23 -1.25 -5.09 115.64 113.24 2bye s THR 32 Ca 0.18 0.61 -0.01 0.00 -1.18 0.00 0.00 61.69 61.29 2bye s THR 32 Cb -0.15 -3.64 0.12 0.00 1.34 0.00 0.00 72.50 70.16 2bye s THR 32 CO -0.02 0.45 0.98 -1.59 -0.54 0.00 0.00 174.62 173.90 2bye s LYS 33 N -0.03 1.75 0.52 3.99 -2.85 -1.26 -4.66 119.74 117.21 2bye s LYS 33 Ca 0.19 -1.05 0.27 0.00 -1.00 0.00 0.00 55.97 54.37 2bye s LYS 33 Cb -0.14 -2.33 1.43 0.00 -2.06 0.00 0.00 37.83 34.73 2bye s LYS 33 CO 0.07 -1.39 2.07 0.00 0.10 0.00 0.00 175.35 176.19 2bye h ALA 34 N -0.49 1.30 0.00 0.59 0.00 -1.78 -0.66 119.26 118.22 2bye h ALA 34 Ca -0.37 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2bye h ALA 34 Cb 1.27 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2bye h ALA 34 CO 0.42 0.15 -0.30 1.57 0.00 0.00 0.00 179.25 181.09 2bye h LYS 35 N 0.00 0.00 0.00 0.00 2.10 -1.85 0.26 116.57 117.08 2bye h LYS 35 Ca -0.00 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2bye h LYS 35 Cb 0.33 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.66 2bye h LYS 35 CO 0.02 0.81 -0.02 1.96 -2.00 0.00 0.00 179.45 180.21 2bye h GLN 36 N -1.00 0.00 0.18 0.07 4.20 -1.93 -2.23 115.11 114.40 2bye h GLN 36 Ca -0.08 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.31 2bye h GLN 36 Cb 0.90 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.69 2bye h GLN 36 CO -0.05 0.02 -1.55 1.25 -0.67 0.00 0.00 178.83 177.84 2bye h LEU 37 N 0.00 0.60 -1.53 1.46 7.12 -1.08 -2.73 115.31 119.15 2bye h LEU 37 Ca -0.00 -0.75 0.16 0.00 0.13 0.00 0.00 57.88 57.42 2bye h LEU 37 Cb 0.17 -0.19 -0.06 0.00 -0.53 0.00 0.00 40.66 40.05 2bye h LEU 37 CO 0.00 1.61 0.53 0.25 -0.13 0.00 0.00 178.44 180.71 2bye h LEU 38 N 0.10 0.42 0.11 2.25 7.12 0.12 0.60 115.31 126.03 2bye h LEU 38 Ca -0.26 0.03 0.02 0.00 0.13 0.00 0.00 57.88 57.80 2bye h LEU 38 Cb 2.08 -0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 42.12 2bye h LEU 38 CO 0.21 0.21 -0.29 -0.61 -0.13 0.00 0.00 178.44 177.82 2bye h GLN 39 N 0.44 -0.48 -0.66 1.25 4.15 -1.50 0.21 115.11 118.52 2bye h GLN 39 Ca 0.40 0.03 0.13 0.00 0.77 0.00 0.00 58.65 59.99 2bye h GLN 39 Cb 0.91 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 2bye h GLN 39 CO -0.14 -0.32 0.45 1.96 -1.93 0.00 0.00 178.83 178.84 2bye h GLN 40 N -0.50 0.32 0.00 1.69 1.08 0.33 0.48 115.11 118.52 2bye h GLN 40 Ca 0.03 -0.02 -0.10 0.00 -1.45 0.00 0.00 58.65 57.11 2bye h GLN 40 Cb 0.53 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 2bye h GLN 40 CO -0.18 0.21 -0.48 0.82 -0.95 0.00 0.00 178.83 178.26 2bye h ILE 41 N 0.33 1.08 0.00 2.54 1.08 0.06 -3.20 117.51 119.40 2bye h ILE 41 Ca 0.32 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 2bye h ILE 41 Cb 0.77 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.59 2bye h ILE 41 CO -0.08 0.47 -1.11 0.18 -0.69 0.00 0.00 178.15 176.92 2bye n LEU 42 N -3.58 0.60 -4.72 1.44 4.77 1.00 -4.82 117.00 111.68 2bye n LEU 42 Ca -0.00 0.06 -0.63 0.00 -0.03 0.00 0.00 56.01 55.40 2bye n LEU 42 Cb 0.57 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2bye n LEU 42 CO 0.39 -0.01 1.17 1.07 -1.33 0.00 0.00 177.39 178.68 2bye n THR 43 N -2.14 0.11 0.26 -5.08 5.66 0.13 -4.73 114.28 108.49 2bye n THR 43 Ca 0.01 -0.02 0.14 0.00 -3.05 0.00 0.00 64.05 61.13 2bye n THR 43 Cb 0.47 -0.74 0.65 0.00 -1.55 0.00 0.00 70.33 69.16 2bye n THR 43 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2bye h ASN 44 N 5.66 0.00 0.00 1.09 2.35 -1.85 -3.46 115.58 119.36 2bye h ASN 44 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2bye h ASN 44 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 2bye h ASN 44 CO 0.95 0.12 0.00 -0.62 -1.65 0.00 0.00 177.43 176.23 2bye n GLU 45 N -3.36 -0.55 0.00 0.81 -0.58 -1.26 -4.82 120.64 110.88 2bye n GLU 45 Ca -0.01 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2bye n GLU 45 Cb 0.32 -4.01 0.00 0.00 -0.57 0.00 0.00 31.44 27.18 2bye n GLU 45 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2bye n GLN 46 N -1.33 0.00 0.00 3.49 1.13 -1.26 -4.67 117.38 114.74 2bye n GLN 46 Ca 0.00 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.19 2bye n GLN 46 Cb 0.14 0.00 0.64 0.00 0.11 0.00 0.00 30.24 31.13 2bye n GLN 46 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2bye n ASP 47 N 0.00 0.00 -1.96 1.08 5.75 -1.26 -4.89 116.55 115.26 2bye n ASP 47 Ca 0.00 -0.03 -0.12 0.00 -0.01 0.00 0.00 54.79 54.63 2bye n ASP 47 Cb 0.00 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 39.76 2bye n ASP 47 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2bye n ILE 48 N -1.31 -0.32 -3.77 2.12 5.41 -1.26 -4.92 119.36 115.32 2bye n ILE 48 Ca 0.12 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.59 2bye n ILE 48 Cb 0.22 -1.44 -0.11 0.00 -0.71 0.00 0.00 39.64 37.59 2bye n ILE 48 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2bye n LYS 49 N -2.35 1.62 -0.06 0.38 5.02 -1.26 -4.61 118.16 116.89 2bye n LYS 49 Ca -0.13 -4.28 -0.02 0.00 -2.02 0.00 0.00 58.31 51.86 2bye n LYS 49 Cb 0.51 -2.17 0.02 0.00 -0.02 0.00 0.00 35.03 33.37 2bye n LYS 49 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2bye n PRO 50 N 1.99 -0.42 -3.25 1.97 -0.02 -1.26 -4.94 135.00 129.07 2bye n PRO 50 Ca 0.22 -0.11 -0.46 0.00 -2.02 0.00 0.00 63.50 61.14 2bye n PRO 50 Cb 0.38 -0.20 -0.02 0.00 -0.02 0.00 0.00 33.50 33.64 2bye n PRO 50 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2bye s VAL 51 N -0.75 5.51 -0.68 -1.45 1.01 -1.26 -5.00 120.40 117.78 2bye s VAL 51 Ca 0.05 -2.50 -0.24 0.00 0.00 0.00 0.00 61.98 59.29 2bye s VAL 51 Cb -0.01 -4.56 0.06 0.00 0.00 0.00 0.00 36.38 31.86 2bye s VAL 51 CO 0.04 -1.16 1.07 0.42 0.00 0.00 0.00 175.10 175.47 2bye s THR 52 N 0.39 4.12 0.00 3.92 -4.23 -1.26 -4.92 115.64 113.65 2bye s THR 52 Ca 0.24 -0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.68 2bye s THR 52 Cb -0.09 -4.76 0.00 0.00 1.34 0.00 0.00 72.50 68.99 2bye s THR 52 CO -0.09 -1.58 0.00 1.07 -0.54 0.00 0.00 174.62 173.48 2bye n THR 53 N 6.09 0.00 0.00 3.99 5.66 -1.26 -4.93 114.28 123.83 2bye n THR 53 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 2bye n THR 53 Cb 0.47 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 2bye n THR 53 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 2bye n ASP 54 N 0.00 0.00 -4.75 1.09 9.92 -1.26 -4.74 116.55 116.81 2bye n ASP 54 Ca 0.00 0.20 -0.41 0.00 -0.53 0.00 0.00 54.79 54.06 2bye n ASP 54 Cb 0.00 -0.20 -0.04 0.00 -0.64 0.00 0.00 41.12 40.24 2bye n ASP 54 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2bye s TYR 55 N -2.32 3.53 0.29 1.24 2.02 -1.26 -1.20 117.35 119.65 2bye s TYR 55 Ca 0.00 1.60 -0.06 0.00 -0.37 0.00 0.00 57.07 58.24 2bye s TYR 55 Cb 0.00 -3.33 -0.00 0.00 -0.40 0.00 0.00 41.96 38.23 2bye s TYR 55 CO 0.00 -0.76 0.43 -0.59 -1.57 0.00 0.00 175.55 173.07 2bye s PHE 56 N -0.68 0.84 0.35 2.71 -0.71 -1.02 -4.97 117.98 114.49 2bye s PHE 56 Ca 0.48 -1.11 0.07 0.00 -1.04 0.00 0.00 56.93 55.32 2bye s PHE 56 Cb -0.32 -0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.43 2bye s PHE 56 CO 0.39 -1.03 0.42 -0.51 -1.34 0.00 0.00 175.22 173.16 2bye s LEU 57 N -3.15 3.79 -0.27 -1.99 1.02 -1.24 0.28 118.68 117.11 2bye s LEU 57 Ca 0.29 -0.34 -0.23 0.00 0.02 0.00 0.00 54.13 53.86 2bye s LEU 57 Cb 0.00 -2.54 0.08 0.00 0.02 0.00 0.00 46.19 43.75 2bye s LEU 57 CO 0.15 -0.47 0.74 -0.04 0.02 0.00 0.00 176.35 176.75 2bye s MET 58 N -4.14 0.79 -0.24 1.70 -1.94 -0.58 0.11 119.30 115.00 2bye s MET 58 Ca 0.45 1.02 -0.12 0.00 -1.71 0.00 0.00 55.69 55.33 2bye s MET 58 Cb -0.08 0.35 -0.05 0.00 2.01 0.00 0.00 34.83 37.06 2bye s MET 58 CO 0.30 -0.11 0.22 -1.83 -0.01 0.00 0.00 175.02 173.59 2bye s GLU 59 N 0.62 4.08 -0.34 2.03 -1.05 -0.69 -0.29 118.70 123.06 2bye s GLU 59 Ca -0.02 -0.16 -0.16 0.00 -0.15 0.00 0.00 54.97 54.49 2bye s GLU 59 Cb -0.05 -3.55 -0.01 0.00 -0.44 0.00 0.00 34.13 30.07 2bye s GLU 59 CO -0.04 0.00 0.39 -1.21 0.95 0.00 0.00 175.26 175.35 2bye s GLU 60 N 1.22 3.59 -0.32 -4.83 0.41 0.19 -3.07 118.70 115.89 2bye s GLU 60 Ca 0.10 -0.35 -0.07 0.00 -0.41 0.00 0.00 54.97 54.24 2bye s GLU 60 Cb -0.14 -3.80 0.02 0.00 -1.78 0.00 0.00 34.13 28.43 2bye s GLU 60 CO 0.06 -0.53 0.10 0.15 -0.49 0.00 0.00 175.26 174.55 2bye s LYS 61 N 2.08 2.93 1.33 1.61 -0.14 -0.99 -2.34 119.74 124.23 2bye s LYS 61 Ca 0.13 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.77 2bye s LYS 61 Cb -0.16 -3.44 0.00 0.00 -1.68 0.00 0.00 37.83 32.55 2bye s LYS 61 CO 0.12 -0.53 0.00 0.66 -0.76 0.00 0.00 175.35 174.84 2bye n TYR 62 N 4.87 0.00 -3.97 3.18 4.01 0.18 -4.51 117.16 120.91 2bye n TYR 62 Ca -0.14 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.27 2bye n TYR 62 Cb 0.47 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.36 2bye n TYR 62 CO 0.00 0.00 0.00 -0.59 -0.46 0.00 0.00 176.86 175.81 2bye s PHE 63 N 0.00 3.31 0.46 -0.72 -0.71 -1.26 -4.38 117.98 114.67 2bye s PHE 63 Ca 0.00 -2.15 -0.02 0.00 -1.04 0.00 0.00 56.93 53.72 2bye s PHE 63 Cb 0.00 -2.14 -0.01 0.00 -1.21 0.00 0.00 43.02 39.65 2bye s PHE 63 CO 0.00 -0.85 0.70 0.42 -1.34 0.00 0.00 175.22 174.15 2bye s ILE 64 N 1.16 4.32 -0.24 -4.49 -1.09 -1.26 -4.63 121.20 114.98 2bye s ILE 64 Ca -0.05 -0.29 -0.29 0.00 -2.23 0.00 0.00 60.65 57.78 2bye s ILE 64 Cb -0.20 -3.62 -0.06 0.00 -1.58 0.00 0.00 42.46 37.00 2bye s ILE 64 CO -0.03 -0.49 2.22 -1.20 -1.23 0.00 0.00 174.94 174.21 2bye n SER 65 N -2.13 3.03 -0.11 3.58 7.64 -1.26 -4.77 113.62 119.60 2bye n SER 65 Ca 0.00 0.24 -0.18 0.00 1.01 0.00 0.00 58.87 59.94 2bye n SER 65 Cb 0.57 -1.50 -0.09 0.00 -1.01 0.00 0.00 64.21 62.18 2bye n SER 65 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2bye n LYS 66 N 8.66 0.51 -4.58 1.43 4.81 -1.26 -5.03 118.16 122.69 2bye n LYS 66 Ca 0.32 0.15 -0.27 0.00 -0.87 0.00 0.00 58.31 57.64 2bye n LYS 66 Cb 0.41 -1.38 -0.10 0.00 0.02 0.00 0.00 35.03 33.98 2bye n LYS 66 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2bye s GLU 67 N -2.42 1.92 -0.90 1.64 -1.05 -1.26 -5.08 118.70 111.55 2bye s GLU 67 Ca -0.29 -2.13 -0.19 0.00 -0.15 0.00 0.00 54.97 52.21 2bye s GLU 67 Cb 0.09 -1.22 0.12 0.00 -0.44 0.00 0.00 34.13 32.68 2bye s GLU 67 CO 0.46 -0.23 1.11 0.21 0.95 0.00 0.00 175.26 177.75 2bye s LYS 68 N -3.80 3.54 -0.32 -4.83 2.47 -1.26 -4.97 119.74 110.57 2bye s LYS 68 Ca 0.27 -1.65 -0.08 0.00 -1.56 0.00 0.00 55.97 52.95 2bye s LYS 68 Cb 0.07 -4.84 0.01 0.00 -1.46 0.00 0.00 37.83 31.61 2bye s LYS 68 CO 0.13 -1.78 0.13 -0.80 0.16 0.00 0.00 175.35 173.19 2bye s ASN 69 N 3.67 5.39 -1.25 1.43 0.02 -1.26 -5.01 114.94 117.92 2bye s ASN 69 Ca 0.31 -0.77 -0.19 0.00 -1.02 0.00 0.00 52.86 51.20 2bye s ASN 69 Cb -0.06 -1.94 0.07 0.00 0.02 0.00 0.00 41.25 39.33 2bye s ASN 69 CO -0.07 -0.25 1.69 -1.61 0.02 0.00 0.00 177.10 176.88 2bye s GLU 70 N 1.53 3.92 0.42 -0.60 0.41 -1.26 -3.92 118.70 119.21 2bye s GLU 70 Ca 0.02 -1.86 0.00 0.00 -0.41 0.00 0.00 54.97 52.73 2bye s GLU 70 Cb -0.18 -5.51 0.00 0.00 -1.78 0.00 0.00 34.13 26.66 2bye s GLU 70 CO 0.04 -2.25 0.00 0.00 -0.49 0.00 0.00 175.26 172.56 2bye s ARG 72 N -2.00 2.50 0.00 0.00 1.70 -1.25 -4.98 118.95 114.92 2bye s ARG 72 Ca 0.00 -0.66 0.25 0.00 -0.47 0.00 0.00 55.73 54.86 2bye s ARG 72 Cb 0.00 -2.13 0.52 0.00 -0.57 0.00 0.00 34.95 32.78 2bye s ARG 72 CO 0.00 -0.10 1.43 1.63 -1.08 0.00 0.00 175.30 177.18 2bye n LYS 73 N 4.31 1.54 -3.79 3.89 5.02 -1.26 -4.76 118.16 123.10 2bye n LYS 73 Ca -0.19 -1.11 -0.36 0.00 -2.02 0.00 0.00 58.31 54.63 2bye n LYS 73 Cb 0.51 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.91 2bye n LYS 73 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2bye s GLN 74 N -2.23 3.36 -0.27 1.97 0.74 -1.26 -4.99 119.66 116.98 2bye s GLN 74 Ca 0.28 -0.67 0.04 0.00 0.05 0.00 0.00 55.36 55.06 2bye s GLN 74 Cb 0.20 -3.27 0.46 0.00 1.10 0.00 0.00 33.01 31.50 2bye s GLN 74 CO 0.42 -0.29 1.55 -0.35 -0.55 0.00 0.00 175.29 176.07 2bye n PRO 75 N 4.87 2.13 -2.62 1.67 -0.04 -1.26 -4.92 135.00 134.83 2bye n PRO 75 Ca -0.16 -1.99 -0.01 0.00 -0.04 0.00 0.00 63.50 61.30 2bye n PRO 75 Cb 0.50 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 2bye n PRO 75 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2bye n PHE 76 N -0.40 -3.64 -3.82 0.54 3.72 -1.26 -4.28 117.46 108.32 2bye n PHE 76 Ca 0.36 1.60 -0.18 0.00 -0.05 0.00 0.00 57.45 59.18 2bye n PHE 76 Cb 1.20 -3.81 -0.17 0.00 -0.94 0.00 0.00 39.48 35.76 2bye n PHE 76 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 2bye s GLN 77 N -1.56 0.18 -0.14 -1.08 -0.21 -1.26 -2.35 119.66 113.23 2bye s GLN 77 Ca 0.02 0.17 0.02 0.00 0.02 0.00 0.00 55.36 55.59 2bye s GLN 77 Cb -0.00 -0.50 0.01 0.00 1.00 0.00 0.00 33.01 33.51 2bye s GLN 77 CO 0.72 -0.21 -0.22 0.50 -2.12 0.00 0.00 175.29 173.96 2bye s ARG 78 N 1.42 3.01 0.20 2.91 6.06 -1.17 -4.98 118.95 126.39 2bye s ARG 78 Ca -0.04 -0.85 -0.29 0.00 -2.50 0.00 0.00 55.73 52.05 2bye s ARG 78 Cb -0.13 -2.44 -0.08 0.00 0.06 0.00 0.00 34.95 32.35 2bye s ARG 78 CO -0.03 -0.04 0.89 0.00 -2.50 0.00 0.00 175.30 173.63 2bye s ALA 79 N 0.88 3.36 -0.45 6.12 0.00 -1.26 -1.70 121.76 128.70 2bye s ALA 79 Ca -0.05 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.26 2bye s ALA 79 Cb -0.15 -3.14 0.04 0.00 0.00 0.00 0.00 23.12 19.86 2bye s ALA 79 CO -0.03 0.21 0.54 0.42 0.00 0.00 0.00 175.76 176.89 2bye s ILE 80 N -1.02 4.97 0.40 0.00 -1.09 0.12 -4.95 121.20 119.63 2bye s ILE 80 Ca 0.40 -0.34 -0.08 0.00 -2.23 0.00 0.00 60.65 58.40 2bye s ILE 80 Cb -0.25 -4.16 -0.05 0.00 -1.58 0.00 0.00 42.46 36.42 2bye s ILE 80 CO 0.30 -0.59 0.73 -0.83 -1.23 0.00 0.00 174.94 173.32 2bye s GLY 81 N 2.17 1.82 0.57 6.18 0.00 -1.26 -3.68 107.32 113.12 2bye s GLY 81 Ca 0.15 -0.35 0.33 0.00 0.00 0.00 0.00 44.72 44.85 2bye s GLY 81 CO 0.14 -0.18 2.12 -2.55 0.00 0.00 0.00 173.10 172.63 2bye h PRO 82 N 1.09 0.00 -0.47 2.90 0.11 -1.97 -0.43 132.00 133.23 2bye h PRO 82 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2bye h PRO 82 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2bye h PRO 82 CO 0.64 0.06 0.27 0.93 -0.21 0.00 0.00 178.00 179.69 2bye h GLU 83 N 0.00 0.64 -6.87 1.05 4.39 -2.00 -3.40 114.58 108.40 2bye h GLU 83 Ca -0.00 -0.06 -0.50 0.00 0.34 0.00 0.00 59.36 59.14 2bye h GLU 83 Cb 0.30 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2bye h GLU 83 CO 0.01 0.48 0.47 -1.21 -1.16 0.00 0.00 179.01 177.59 2bye s GLU 84 N -5.95 4.43 -0.00 2.33 2.02 -0.17 -4.96 118.70 116.39 2bye s GLU 84 Ca -0.13 1.75 0.07 0.00 0.02 0.00 0.00 54.97 56.67 2bye s GLU 84 Cb 0.11 -2.95 -0.02 0.00 0.10 0.00 0.00 34.13 31.37 2bye s GLU 84 CO 0.74 0.04 -0.21 -1.21 0.02 0.00 0.00 175.26 174.64 2bye s GLU 85 N -1.84 1.67 0.34 1.61 2.02 -1.26 -3.90 118.70 117.35 2bye s GLU 85 Ca 0.50 -0.80 0.10 0.00 0.02 0.00 0.00 54.97 54.79 2bye s GLU 85 Cb -0.29 -1.65 0.62 0.00 0.10 0.00 0.00 34.13 32.90 2bye s GLU 85 CO 0.38 0.45 1.78 -0.84 0.02 0.00 0.00 175.26 177.04 2bye h ILE 86 N 4.56 1.29 0.00 -1.63 3.07 -1.89 -1.33 117.51 121.58 2bye h ILE 86 Ca -0.40 -1.37 -0.01 0.00 1.55 0.00 0.00 64.86 64.63 2bye h ILE 86 Cb 1.14 1.68 -0.00 0.00 -0.27 0.00 0.00 36.82 39.37 2bye h ILE 86 CO 0.47 0.40 -0.03 0.24 -1.05 0.00 0.00 178.15 178.18 2bye h MET 87 N 0.08 0.00 0.13 0.16 2.86 -1.96 0.10 114.93 116.30 2bye h MET 87 Ca 0.01 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.36 2bye h MET 87 Cb 0.71 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.39 2bye h MET 87 CO 0.05 0.03 -1.24 0.37 1.06 0.00 0.00 176.91 177.18 2bye h GLN 88 N 0.00 0.49 0.05 1.72 5.75 -1.66 -2.26 115.11 119.20 2bye h GLN 88 Ca -0.00 -0.70 -0.00 0.00 -0.15 0.00 0.00 58.65 57.80 2bye h GLN 88 Cb 0.50 0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.29 2bye h GLN 88 CO 0.00 1.31 -0.02 0.82 -2.65 0.00 0.00 178.83 178.29 2bye h ILE 89 N 0.20 1.07 0.00 2.39 1.08 -0.99 -2.69 117.51 118.57 2bye h ILE 89 Ca -0.17 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 63.87 2bye h ILE 89 Cb 1.92 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 37.00 2bye h ILE 89 CO 0.23 0.10 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.54 2bye h LEU 90 N -0.24 0.00 0.13 1.44 3.38 -0.87 -0.38 115.31 118.77 2bye h LEU 90 Ca -0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 2bye h LEU 90 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2bye h LEU 90 CO 0.01 0.17 -1.34 0.77 0.09 0.00 0.00 178.44 178.14 2bye h SER 91 N 0.00 0.42 0.85 -0.43 4.64 -1.42 -3.34 113.55 114.28 2bye h SER 91 Ca -0.00 -0.49 -0.20 0.00 -0.47 0.00 0.00 61.79 60.63 2bye h SER 91 Cb 0.74 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 2bye h SER 91 CO 0.02 1.39 -0.95 0.28 -0.87 0.00 0.00 176.83 176.70 2bye h SER 92 N 0.07 0.08 -3.67 4.97 0.02 -1.15 -3.44 113.55 110.43 2bye h SER 92 Ca -0.17 -0.08 -0.51 0.00 -0.84 0.00 0.00 61.79 60.20 2bye h SER 92 Cb 1.99 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.50 2bye h SER 92 CO 0.19 0.98 0.42 0.86 -1.14 0.00 0.00 176.83 178.15 2bye s TRP 93 N -2.90 3.74 -0.04 3.45 -0.00 -0.18 -5.04 118.94 117.96 2bye s TRP 93 Ca -0.00 1.74 0.00 0.00 -0.00 0.00 0.00 56.10 57.84 2bye s TRP 93 Cb 0.10 -3.16 -0.03 0.00 -0.00 0.00 0.00 33.47 30.38 2bye s TRP 93 CO 0.82 -0.16 -0.02 -0.06 -0.00 0.00 0.00 176.95 177.53 2bye s PHE 94 N -0.66 3.06 0.28 5.86 0.08 -1.26 -4.89 117.98 120.46 2bye s PHE 94 Ca 0.46 0.10 0.35 0.00 0.12 0.00 0.00 56.93 57.96 2bye s PHE 94 Cb -0.28 -1.71 1.63 0.00 -0.57 0.00 0.00 43.02 42.09 2bye s PHE 94 CO 0.35 0.43 2.09 -1.35 -0.10 0.00 0.00 175.22 176.63 2bye h PRO 95 N 4.83 0.00 -6.75 0.24 0.11 -1.96 -3.40 132.00 125.07 2bye h PRO 95 Ca -0.49 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.10 2bye h PRO 95 Cb 1.18 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.32 2bye h PRO 95 CO 0.55 0.03 0.56 -2.00 -0.21 0.00 0.00 178.00 176.92 2bye s GLU 96 N -3.85 4.51 -0.87 1.05 2.12 -1.26 -2.19 118.70 118.20 2bye s GLU 96 Ca -0.01 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.25 2bye s GLU 96 Cb 0.10 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.30 2bye s GLU 96 CO 0.52 -0.03 0.00 0.39 -0.54 0.00 0.00 175.26 175.60 2bye n GLU 97 N 1.83 -1.38 -1.83 4.30 1.02 -1.26 -4.89 120.64 118.42 2bye n GLU 97 Ca 0.02 0.74 -0.41 0.00 -0.02 0.00 0.00 57.16 57.49 2bye n GLU 97 Cb 0.44 -4.94 -0.02 0.00 -0.02 0.00 0.00 31.44 26.90 2bye n GLU 97 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bye n GLY 98 N -0.35 3.27 0.30 0.62 0.00 -0.93 -4.70 105.19 103.40 2bye n GLY 98 Ca -0.08 -1.41 -0.07 0.00 0.00 0.00 0.00 46.02 44.46 2bye n GLY 98 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bye h TYR 99 N 7.13 1.08 -2.33 1.61 3.20 -1.90 -3.44 116.97 122.32 2bye h TYR 99 Ca 0.48 -0.10 -0.04 0.00 3.14 0.00 0.00 58.73 62.20 2bye h TYR 99 Cb 0.73 -0.32 -0.24 0.00 1.54 0.00 0.00 36.73 38.44 2bye h TYR 99 CO 1.38 0.86 -0.21 1.41 -1.64 0.00 0.00 178.16 179.97 2bye s MET 100 N -5.45 0.49 -0.20 1.82 1.75 -1.26 -4.96 119.30 111.48 2bye s MET 100 Ca -0.12 1.09 0.00 0.00 -1.25 0.00 0.00 55.69 55.40 2bye s MET 100 Cb 0.14 0.28 0.05 0.00 2.84 0.00 0.00 34.83 38.14 2bye s MET 100 CO 0.82 -0.19 -0.07 0.20 -0.65 0.00 0.00 175.02 175.14 2bye s GLY 101 N 2.05 1.16 -0.01 2.11 0.00 -1.26 -0.64 107.32 110.73 2bye s GLY 101 Ca -0.07 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.54 2bye s GLY 101 CO -0.16 0.88 -0.06 -1.60 0.00 0.00 0.00 173.10 172.17 2bye s ARG 102 N 1.48 0.51 -0.14 2.90 3.52 -0.99 -5.01 118.95 121.23 2bye s ARG 102 Ca -0.02 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.37 2bye s ARG 102 Cb -0.17 -0.50 -0.02 0.00 -1.56 0.00 0.00 34.95 32.70 2bye s ARG 102 CO -0.07 0.11 -0.11 0.42 -0.81 0.00 0.00 175.30 174.84 2bye s ILE 103 N -0.02 3.25 -0.21 4.11 1.01 -1.25 0.52 121.20 128.61 2bye s ILE 103 Ca 0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 60.65 59.96 2bye s ILE 103 Cb -0.04 -2.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2bye s ILE 103 CO -0.00 0.51 0.17 -0.69 0.00 0.00 0.00 174.94 174.93 2bye s VAL 104 N 0.42 5.37 -0.62 2.92 1.01 0.60 -0.87 120.40 129.23 2bye s VAL 104 Ca -0.08 0.25 -0.28 0.00 0.00 0.00 0.00 61.98 61.87 2bye s VAL 104 Cb -0.15 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.75 2bye s VAL 104 CO 0.04 0.40 1.21 -0.22 0.00 0.00 0.00 175.10 176.53 2bye s LEU 105 N 0.62 3.40 0.76 3.92 2.96 -1.26 -1.52 118.68 127.57 2bye s LEU 105 Ca 0.09 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.92 2bye s LEU 105 Cb -0.12 -2.98 0.15 0.00 0.50 0.00 0.00 46.19 43.74 2bye s LEU 105 CO 0.01 -1.57 1.04 -0.54 -1.32 0.00 0.00 176.35 173.97 2bye s LYS 106 N 5.13 1.45 0.13 1.98 -0.14 0.14 -4.56 119.74 123.88 2bye s LYS 106 Ca 0.40 -1.22 0.04 0.00 -1.36 0.00 0.00 55.97 53.83 2bye s LYS 106 Cb -0.08 -2.30 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 2bye s LYS 106 CO 0.22 -1.63 -0.10 0.95 -0.76 0.00 0.00 175.35 174.03 2bye s THR 107 N -3.23 1.09 -0.64 2.17 -4.23 -1.26 -2.44 115.64 107.09 2bye s THR 107 Ca 0.69 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2bye s THR 107 Cb -0.04 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.09 2bye s THR 107 CO 0.46 -0.70 0.37 0.00 -0.54 0.00 0.00 174.62 174.20 2bye n GLN 108 N 0.01 0.54 -4.35 3.99 1.13 -0.34 -4.74 117.38 113.62 2bye n GLN 108 Ca -0.12 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.75 2bye n GLN 108 Cb 0.60 -1.26 -0.13 0.00 0.11 0.00 0.00 30.24 29.56 2bye n GLN 108 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2bye s GLN 109 N -0.48 0.90 0.00 -1.09 0.74 -1.26 -5.12 119.66 113.35 2bye s GLN 109 Ca 0.00 -0.71 0.03 0.00 0.05 0.00 0.00 55.36 54.72 2bye s GLN 109 Cb 0.00 -0.89 0.02 0.00 1.10 0.00 0.00 33.01 33.24 2bye s GLN 109 CO 0.00 0.22 0.58 0.39 -0.55 0.00 0.00 175.29 175.93