#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bye n GLU 2 N 0.00 -1.79 -1.94 1.61 -0.58 -1.26 -4.51 120.64 112.17 2bye n GLU 2 Ca 0.00 0.97 -0.24 0.00 -0.42 0.00 0.00 57.16 57.46 2bye n GLU 2 Cb 0.00 -5.38 -0.08 0.00 -0.57 0.00 0.00 31.44 25.41 2bye n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2bye s GLU 3 N -4.30 2.11 0.00 3.49 0.41 -1.26 -4.20 118.70 114.95 2bye s GLU 3 Ca 0.32 -0.97 0.00 0.00 -0.41 0.00 0.00 54.97 53.91 2bye s GLU 3 Cb -0.06 -5.17 0.00 0.00 -1.78 0.00 0.00 34.13 27.12 2bye s GLU 3 CO 0.77 -4.43 0.00 0.54 -0.49 0.00 0.00 175.26 171.65 2bye n ARG 4 N 8.24 2.88 0.00 1.61 1.74 -1.26 -5.02 116.66 124.86 2bye n ARG 4 Ca 0.44 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2bye n ARG 4 Cb 0.47 -0.28 0.00 0.00 -1.02 0.00 0.00 32.46 31.62 2bye n ARG 4 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2bye n LYS 5 N -0.13 0.00 -4.31 5.56 4.81 -1.26 -5.16 118.16 117.68 2bye n LYS 5 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 2bye n LYS 5 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2bye n LYS 5 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bye n LEU 7 N -0.40 -1.78 -4.56 0.00 4.77 -1.26 -4.63 117.00 109.13 2bye n LEU 7 Ca -0.04 0.04 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 2bye n LEU 7 Cb 0.64 -2.65 -0.03 0.00 -2.33 0.00 0.00 43.42 39.05 2bye n LEU 7 CO 0.36 -0.28 1.97 -1.10 -1.33 0.00 0.00 177.39 177.01 2bye s GLN 8 N -4.76 2.25 -0.46 3.23 1.11 -1.26 0.38 119.66 120.15 2bye s GLN 8 Ca 0.00 1.43 -0.10 0.00 0.01 0.00 0.00 55.36 56.70 2bye s GLN 8 Cb 0.00 -4.55 0.11 0.00 -1.01 0.00 0.00 33.01 27.56 2bye s GLN 8 CO 0.00 -3.11 0.33 0.95 0.01 0.00 0.00 175.29 173.46 2bye s THR 9 N 11.57 4.29 -0.05 -0.19 -4.23 -1.26 -0.81 115.64 124.96 2bye s THR 9 Ca 0.96 -1.63 0.05 0.00 -1.18 0.00 0.00 61.69 59.89 2bye s THR 9 Cb -0.18 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 69.89 2bye s THR 9 CO 0.27 -0.69 -0.22 -1.00 -0.54 0.00 0.00 174.62 172.44 2bye s HIS 10 N 1.40 2.51 0.16 3.99 3.76 -1.22 -4.48 115.29 121.41 2bye s HIS 10 Ca 0.05 -0.52 -0.13 0.00 -0.15 0.00 0.00 55.06 54.30 2bye s HIS 10 Cb -0.25 -1.61 -0.07 0.00 1.11 0.00 0.00 32.58 31.76 2bye s HIS 10 CO 0.01 -0.08 0.55 0.50 -0.85 0.00 0.00 174.74 174.86 2bye s ARG 11 N -0.35 3.94 -0.12 1.40 3.52 -1.26 -0.38 118.95 125.70 2bye s ARG 11 Ca 0.02 0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 56.07 2bye s ARG 11 Cb -0.12 -2.88 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 2bye s ARG 11 CO 0.02 0.45 -0.09 0.54 -0.81 0.00 0.00 175.30 175.41 2bye s VAL 12 N -1.53 1.12 -0.16 7.11 0.11 -0.33 -4.92 120.40 121.80 2bye s VAL 12 Ca 0.40 -0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 58.80 2bye s VAL 12 Cb -0.14 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.57 2bye s VAL 12 CO 0.19 0.38 1.25 -0.89 -3.33 0.00 0.00 175.10 172.71 2bye s THR 13 N 1.67 4.30 -0.17 5.04 2.01 -1.26 -2.31 115.64 124.92 2bye s THR 13 Ca 0.05 1.57 -0.07 0.00 0.31 0.00 0.00 61.69 63.55 2bye s THR 13 Cb -0.13 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2bye s THR 13 CO -0.09 -0.13 0.07 -0.69 -0.69 0.00 0.00 174.62 173.09 2bye s VAL 14 N 3.44 4.88 -1.36 3.82 1.01 0.81 -4.58 120.40 128.42 2bye s VAL 14 Ca 0.54 -0.01 0.14 0.00 0.00 0.00 0.00 61.98 62.65 2bye s VAL 14 Cb -0.21 -3.18 0.29 0.00 0.00 0.00 0.00 36.38 33.28 2bye s VAL 14 CO 0.14 0.49 1.19 1.41 0.00 0.00 0.00 175.10 178.34 2bye n HIS 15 N 3.23 0.38 -1.93 5.22 8.25 0.32 -1.51 115.22 129.18 2bye n HIS 15 Ca -0.17 -0.33 0.04 0.00 -0.26 0.00 0.00 57.72 57.00 2bye n HIS 15 Cb 0.53 -0.01 0.14 0.00 1.12 0.00 0.00 29.99 31.76 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 0.78 3.74 3.71 -1.41 0.00 -1.24 -4.74 105.19 106.02 2bye n GLY 16 Ca 0.12 -1.19 -0.31 0.00 0.00 0.00 0.00 46.02 44.64 2bye n GLY 16 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bye s VAL 17 N -2.19 2.45 -0.59 1.61 -7.23 -1.26 -3.71 120.40 109.48 2bye s VAL 17 Ca 0.37 0.15 0.25 0.00 -1.81 0.00 0.00 61.98 60.94 2bye s VAL 17 Cb 0.38 -2.37 0.22 0.00 0.56 0.00 0.00 36.38 35.17 2bye s VAL 17 CO -0.10 -0.18 1.56 1.55 -0.31 0.00 0.00 175.10 177.62 2bye h PRO 18 N -1.48 0.00 -7.19 4.82 0.13 -1.91 -3.47 132.00 122.90 2bye h PRO 18 Ca -0.44 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.22 2bye h PRO 18 Cb 1.26 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.60 2bye h PRO 18 CO 0.45 0.00 0.09 0.20 -0.23 0.00 0.00 178.00 178.52 2bye s GLY 19 N -3.84 1.60 0.39 1.56 0.00 -1.26 -4.93 107.32 100.84 2bye s GLY 19 Ca 0.08 0.18 0.17 0.00 0.00 0.00 0.00 44.72 45.15 2bye s GLY 19 CO 0.66 0.78 1.82 -0.56 0.00 0.00 0.00 173.10 175.81 2bye h PRO 20 N -2.34 0.00 -7.13 2.90 0.13 -2.02 -3.44 132.00 120.09 2bye h PRO 20 Ca -0.54 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.06 2bye h PRO 20 Cb 1.31 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.57 2bye h PRO 20 CO 0.46 0.35 0.44 -1.21 -0.23 0.00 0.00 178.00 177.82 2bye s GLU 21 N -3.99 2.64 0.07 0.86 8.01 -1.26 -4.94 118.70 120.09 2bye s GLU 21 Ca -0.02 1.79 -0.02 0.00 0.01 0.00 0.00 54.97 56.74 2bye s GLU 21 Cb 0.13 -1.89 -0.27 0.00 -4.31 0.00 0.00 34.13 27.79 2bye s GLU 21 CO 0.69 -1.46 1.10 -1.00 0.01 0.00 0.00 175.26 174.61 2bye h PRO 22 N 0.39 0.22 -3.05 0.39 0.14 -1.94 -3.44 132.00 124.70 2bye h PRO 22 Ca -0.49 -0.37 -0.21 0.00 0.14 0.00 0.00 66.00 65.07 2bye h PRO 22 Cb 1.30 0.14 -0.31 0.00 0.14 0.00 0.00 31.00 32.27 2bye h PRO 22 CO 0.53 1.14 -0.51 -0.59 0.14 0.00 0.00 178.00 178.71 2bye s PHE 23 N -2.66 -0.30 0.02 1.56 -0.71 -1.26 -4.49 117.98 110.14 2bye s PHE 23 Ca -0.04 0.74 -0.08 0.00 -1.04 0.00 0.00 56.93 56.51 2bye s PHE 23 Cb 0.08 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.89 2bye s PHE 23 CO 0.87 -0.23 0.16 -0.08 -1.34 0.00 0.00 175.22 174.59 2bye s THR 24 N 1.37 0.10 -0.12 -4.49 -1.32 -0.57 -4.97 115.64 105.64 2bye s THR 24 Ca -0.08 -0.81 0.02 0.00 -1.21 0.00 0.00 61.69 59.61 2bye s THR 24 Cb -0.11 -0.66 -0.01 0.00 -1.51 0.00 0.00 72.50 70.21 2bye s THR 24 CO -0.08 -0.44 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.01 2bye s VAL 25 N -1.93 2.55 -0.02 5.08 1.01 -1.26 -0.14 120.40 125.68 2bye s VAL 25 Ca -0.10 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.07 2bye s VAL 25 Cb -0.04 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 2bye s VAL 25 CO -0.01 0.54 -0.10 -0.36 0.00 0.00 0.00 175.10 175.17 2bye s PHE 26 N 0.37 2.81 0.21 5.22 0.40 -0.98 -4.82 117.98 121.19 2bye s PHE 26 Ca -0.15 -0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 55.89 2bye s PHE 26 Cb -0.17 -1.62 -0.08 0.00 0.51 0.00 0.00 43.02 41.66 2bye s PHE 26 CO 0.07 0.30 0.75 0.99 0.70 0.00 0.00 175.22 178.03 2bye s THR 27 N -0.88 4.49 0.22 0.64 2.01 -1.26 -1.18 115.64 119.68 2bye s THR 27 Ca 0.14 1.44 0.02 0.00 0.31 0.00 0.00 61.69 63.61 2bye s THR 27 Cb -0.11 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.48 2bye s THR 27 CO 0.04 0.30 0.18 2.30 -0.69 0.00 0.00 174.62 176.75 2bye n ILE 28 N 0.98 0.00 -3.64 1.82 -5.35 0.49 -4.90 119.36 108.75 2bye n ILE 28 Ca -0.03 -0.85 -0.14 0.00 -0.27 0.00 0.00 62.75 61.46 2bye n ILE 28 Cb 0.50 -0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 37.96 2bye n ILE 28 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2bye s ASN 29 N -2.29 -0.69 1.55 7.28 2.20 -1.21 -3.42 114.94 118.37 2bye s ASN 29 Ca 0.14 1.28 0.00 0.00 -0.94 0.00 0.00 52.86 53.34 2bye s ASN 29 Cb -0.01 1.29 0.00 0.00 -2.00 0.00 0.00 41.25 40.53 2bye s ASN 29 CO 0.09 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.59 2bye n GLY 30 N 2.54 1.39 2.32 0.45 0.00 0.01 -3.23 105.19 108.66 2bye n GLY 30 Ca -0.14 0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 2bye n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bye n GLY 31 N 0.00 3.91 3.71 -0.02 0.00 -1.26 -4.41 105.19 107.12 2bye n GLY 31 Ca 0.00 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 2bye n GLY 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bye s THR 32 N -2.68 2.93 1.07 2.61 -4.23 -1.20 -5.02 115.64 109.11 2bye s THR 32 Ca 0.41 0.60 -0.16 0.00 -1.18 0.00 0.00 61.69 61.36 2bye s THR 32 Cb 0.32 -3.38 0.22 0.00 1.34 0.00 0.00 72.50 71.00 2bye s THR 32 CO -0.09 0.03 1.15 -0.54 -0.54 0.00 0.00 174.62 174.63 2bye s LYS 33 N 1.54 -0.13 0.59 3.99 3.01 -1.26 -4.72 119.74 122.76 2bye s LYS 33 Ca 0.69 0.05 0.37 0.00 -1.01 0.00 0.00 55.97 56.08 2bye s LYS 33 Cb -0.41 -1.71 1.72 0.00 -1.01 0.00 0.00 37.83 36.42 2bye s LYS 33 CO 0.31 -3.01 2.11 0.00 0.51 0.00 0.00 175.35 175.28 2bye h ALA 34 N -2.08 1.00 0.00 5.17 0.00 -1.74 0.14 119.26 121.75 2bye h ALA 34 Ca -0.48 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2bye h ALA 34 Cb 1.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2bye h ALA 34 CO 0.45 0.00 -0.05 1.57 0.00 0.00 0.00 179.25 181.22 2bye h LYS 35 N 0.00 0.00 0.00 0.00 2.10 -1.88 0.27 116.57 117.06 2bye h LYS 35 Ca -0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2bye h LYS 35 Cb 0.34 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2bye h LYS 35 CO 0.00 0.82 -0.06 1.96 -2.00 0.00 0.00 179.45 180.16 2bye h GLN 36 N -1.00 0.00 0.16 0.07 1.08 -1.87 -2.51 115.11 111.04 2bye h GLN 36 Ca -0.01 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.85 2bye h GLN 36 Cb 0.83 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.27 2bye h GLN 36 CO -0.01 0.06 -1.66 1.25 -0.95 0.00 0.00 178.83 177.53 2bye h LEU 37 N 0.00 0.53 -1.24 1.46 7.12 -0.72 -2.80 115.31 119.65 2bye h LEU 37 Ca -0.00 -0.77 0.20 0.00 0.13 0.00 0.00 57.88 57.45 2bye h LEU 37 Cb 0.22 -0.17 -0.09 0.00 -0.53 0.00 0.00 40.66 40.09 2bye h LEU 37 CO 0.01 1.64 0.62 0.25 -0.13 0.00 0.00 178.44 180.83 2bye h LEU 38 N 0.09 0.61 0.16 2.25 6.46 -0.03 0.57 115.31 125.41 2bye h LEU 38 Ca -0.30 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 2bye h LEU 38 Cb 2.07 -0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.93 2bye h LEU 38 CO 0.17 0.22 -0.34 -0.61 -0.62 0.00 0.00 178.44 177.26 2bye h GLN 39 N 0.59 -0.57 -0.42 1.25 4.15 -1.52 0.11 115.11 118.70 2bye h GLN 39 Ca 0.54 0.04 0.12 0.00 0.77 0.00 0.00 58.65 60.12 2bye h GLN 39 Cb 1.07 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 2bye h GLN 39 CO -0.29 -0.38 0.32 1.96 -1.93 0.00 0.00 178.83 178.51 2bye h GLN 40 N -0.59 0.00 0.00 1.69 1.08 0.21 0.76 115.11 118.26 2bye h GLN 40 Ca 0.02 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 2bye h GLN 40 Cb 0.60 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 2bye h GLN 40 CO -0.18 0.00 -0.73 0.82 -0.95 0.00 0.00 178.83 177.80 2bye h ILE 41 N 0.00 1.34 0.11 2.54 1.08 0.41 -3.34 117.51 119.65 2bye h ILE 41 Ca 0.20 -2.66 -0.36 0.00 -0.39 0.00 0.00 64.86 61.66 2bye h ILE 41 Cb 0.84 2.51 -0.02 0.00 -3.07 0.00 0.00 36.82 37.08 2bye h ILE 41 CO -0.00 0.71 -1.95 0.18 -0.69 0.00 0.00 178.15 176.40 2bye n LEU 42 N -3.41 2.43 -4.47 1.44 4.77 0.82 -4.85 117.00 113.73 2bye n LEU 42 Ca 0.00 0.24 -0.61 0.00 -0.03 0.00 0.00 56.01 55.61 2bye n LEU 42 Cb 0.78 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 2bye n LEU 42 CO 0.43 0.80 1.52 1.07 -1.33 0.00 0.00 177.39 179.88 2bye n THR 43 N -3.44 0.04 0.79 -5.08 5.66 0.23 -4.64 114.28 107.85 2bye n THR 43 Ca -0.30 -0.03 0.12 0.00 -3.05 0.00 0.00 64.05 60.79 2bye n THR 43 Cb 1.05 -0.67 0.50 0.00 -1.55 0.00 0.00 70.33 69.66 2bye n THR 43 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2bye n ASN 44 N 6.43 0.09 -1.57 1.09 5.03 -0.81 -4.92 115.26 120.62 2bye n ASN 44 Ca 0.44 0.51 -0.16 0.00 0.87 0.00 0.00 54.58 56.24 2bye n ASN 44 Cb -0.01 -0.54 -0.03 0.00 -1.02 0.00 0.00 39.78 38.19 2bye n ASN 44 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bye n GLU 45 N -1.59 -1.18 0.00 3.52 1.02 -1.09 -4.88 120.64 116.43 2bye n GLU 45 Ca 0.06 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 2bye n GLU 45 Cb 0.29 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.56 2bye n GLU 45 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2bye n GLN 46 N -2.51 0.00 -0.68 3.49 6.02 -1.26 -4.34 117.38 118.10 2bye n GLN 46 Ca -0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.80 2bye n GLN 46 Cb 0.59 -0.06 0.23 0.00 1.02 0.00 0.00 30.24 32.03 2bye n GLN 46 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2bye n ASP 47 N 0.00 4.03 0.00 1.08 5.75 -1.26 -4.89 116.55 121.26 2bye n ASP 47 Ca 0.00 -2.76 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 2bye n ASP 47 Cb 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 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 0.13 0.00 -1.50 2.12 5.41 -1.26 -5.02 119.36 119.25 2bye n ILE 48 Ca 0.25 0.00 -0.48 0.00 1.00 0.00 0.00 62.75 63.52 2bye n ILE 48 Cb 1.01 0.00 -0.06 0.00 -0.71 0.00 0.00 39.64 39.89 2bye n ILE 48 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2bye n LYS 49 N 0.00 1.37 0.00 0.38 2.85 -1.26 -1.92 118.16 119.58 2bye n LYS 49 Ca 0.00 0.37 0.00 0.00 -1.05 0.00 0.00 58.31 57.63 2bye n LYS 49 Cb 0.00 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 31.65 2bye n LYS 49 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2bye n PRO 50 N 8.41 2.75 -3.76 -1.58 -0.02 -1.26 -4.49 135.00 135.04 2bye n PRO 50 Ca 0.38 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 2bye n PRO 50 Cb 0.31 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.68 2bye n PRO 50 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2bye n VAL 51 N -0.01 2.04 -2.44 -1.45 0.31 -1.26 -4.98 118.33 110.54 2bye n VAL 51 Ca 0.00 -4.99 -0.41 0.00 -0.01 0.00 0.00 64.34 58.92 2bye n VAL 51 Cb 0.00 -2.20 -0.03 0.00 -0.91 0.00 0.00 33.84 30.71 2bye n VAL 51 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2bye s THR 52 N -1.68 3.76 0.00 2.52 -4.23 -1.26 -4.94 115.64 109.81 2bye s THR 52 Ca 0.28 0.58 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 2bye s THR 52 Cb -0.01 -4.59 0.00 0.00 1.34 0.00 0.00 72.50 69.24 2bye s THR 52 CO -0.13 -1.39 0.00 1.07 -0.54 0.00 0.00 174.62 173.63 2bye n THR 53 N 6.71 0.00 0.06 3.99 5.66 -1.26 -4.96 114.28 124.49 2bye n THR 53 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2bye n THR 53 Cb 0.49 -0.05 0.01 0.00 -1.55 0.00 0.00 70.33 69.23 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 -4.76 1.09 9.92 -1.26 -4.80 116.55 116.74 2bye n ASP 54 Ca 0.00 -0.05 -0.37 0.00 -0.53 0.00 0.00 54.79 53.84 2bye n ASP 54 Cb 0.00 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.50 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 -2.00 2.52 0.30 1.24 2.02 -1.26 -0.26 117.35 119.91 2bye s TYR 55 Ca 0.00 1.49 -0.08 0.00 -0.37 0.00 0.00 57.07 58.11 2bye s TYR 55 Cb 0.00 -3.51 0.03 0.00 -0.40 0.00 0.00 41.96 38.08 2bye s TYR 55 CO 0.00 -2.13 0.54 1.97 -1.57 0.00 0.00 175.55 174.36 2bye n PHE 56 N -1.13 -1.79 -3.61 2.71 -1.74 -1.03 -4.88 117.46 105.98 2bye n PHE 56 Ca 0.11 -1.57 -0.20 0.00 -0.56 0.00 0.00 57.45 55.23 2bye n PHE 56 Cb 0.48 0.62 -0.02 0.00 1.52 0.00 0.00 39.48 42.08 2bye n PHE 56 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2bye s LEU 57 N 0.00 3.63 -0.02 5.98 1.02 -1.26 0.32 118.68 128.36 2bye s LEU 57 Ca 0.16 -0.48 -0.29 0.00 0.02 0.00 0.00 54.13 53.54 2bye s LEU 57 Cb -0.03 -2.33 0.08 0.00 0.02 0.00 0.00 46.19 43.93 2bye s LEU 57 CO 0.11 -0.47 0.73 -0.04 0.02 0.00 0.00 176.35 176.70 2bye s MET 58 N -4.09 1.01 -0.38 1.70 -1.94 -0.32 -0.03 119.30 115.24 2bye s MET 58 Ca 0.45 0.04 -0.12 0.00 -1.71 0.00 0.00 55.69 54.34 2bye s MET 58 Cb -0.06 0.47 0.02 0.00 2.01 0.00 0.00 34.83 37.27 2bye s MET 58 CO 0.28 -0.36 0.23 -1.21 -0.01 0.00 0.00 175.02 173.96 2bye s GLU 59 N -1.88 2.90 -0.45 2.03 2.02 -0.89 -1.17 118.70 121.26 2bye s GLU 59 Ca -0.06 -1.04 -0.18 0.00 0.02 0.00 0.00 54.97 53.71 2bye s GLU 59 Cb -0.00 -3.80 0.04 0.00 0.10 0.00 0.00 34.13 30.46 2bye s GLU 59 CO 0.02 -0.70 0.49 -1.21 0.02 0.00 0.00 175.26 173.88 2bye s GLU 60 N 1.59 3.10 0.37 1.61 0.41 -0.65 -3.63 118.70 121.50 2bye s GLU 60 Ca 0.03 -0.83 -0.06 0.00 -0.41 0.00 0.00 54.97 53.70 2bye s GLU 60 Cb -0.19 -4.01 0.09 0.00 -1.78 0.00 0.00 34.13 28.23 2bye s GLU 60 CO 0.08 -0.96 0.45 1.63 -0.49 0.00 0.00 175.26 175.96 2bye n LYS 61 N 5.72 -0.83 -3.98 1.61 4.01 -1.26 -2.36 118.16 121.07 2bye n LYS 61 Ca -0.07 -0.70 -0.11 0.00 -0.51 0.00 0.00 58.31 56.92 2bye n LYS 61 Cb 0.47 -0.51 -0.12 0.00 -0.51 0.00 0.00 35.03 34.35 2bye n LYS 61 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 2bye s TYR 62 N -1.93 0.27 -0.95 2.13 5.04 -1.25 -4.82 117.35 115.83 2bye s TYR 62 Ca 0.26 -0.36 -0.22 0.00 -2.44 0.00 0.00 57.07 54.32 2bye s TYR 62 Cb -0.01 -0.18 0.08 0.00 0.35 0.00 0.00 41.96 42.19 2bye s TYR 62 CO 0.19 -0.11 1.30 0.12 -1.34 0.00 0.00 175.55 175.71 2bye s PHE 63 N -0.97 2.73 -0.03 4.97 5.36 -1.26 -4.55 117.98 124.22 2bye s PHE 63 Ca -0.10 -0.97 0.08 0.00 -0.96 0.00 0.00 56.93 54.99 2bye s PHE 63 Cb -0.07 -4.53 -0.12 0.00 -0.34 0.00 0.00 43.02 37.96 2bye s PHE 63 CO -0.00 -1.78 0.14 -0.89 -1.46 0.00 0.00 175.22 171.23 2bye n ILE 64 N 6.33 0.16 -2.07 3.12 5.41 -1.26 -5.04 119.36 126.02 2bye n ILE 64 Ca 0.26 -0.24 -0.41 0.00 1.00 0.00 0.00 62.75 63.36 2bye n ILE 64 Cb 0.50 -0.02 -0.02 0.00 -0.71 0.00 0.00 39.64 39.39 2bye n ILE 64 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2bye s SER 65 N -3.29 6.71 0.00 4.38 0.01 -1.26 -4.94 113.70 115.31 2bye s SER 65 Ca -0.03 2.69 0.00 0.00 1.31 0.00 0.00 55.95 59.91 2bye s SER 65 Cb 0.05 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2bye s SER 65 CO 0.35 -0.61 0.87 0.29 0.41 0.00 0.00 173.24 174.55 2bye n LYS 66 N 1.36 0.00 0.00 12.44 5.02 -1.25 -4.42 118.16 131.31 2bye n LYS 66 Ca 0.02 -0.87 0.00 0.00 -2.02 0.00 0.00 58.31 55.45 2bye n LYS 66 Cb 0.41 -0.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 2bye n LYS 66 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2bye n GLU 67 N 0.00 0.00 0.00 1.97 -0.58 -1.19 -4.84 120.64 116.00 2bye n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2bye n GLU 67 Cb 0.65 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.52 2bye n GLU 67 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2bye n LYS 68 N -1.48 0.00 -3.49 3.49 4.76 -1.26 -4.81 118.16 115.38 2bye n LYS 68 Ca 0.00 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.24 2bye n LYS 68 Cb 0.00 -0.07 -0.02 0.00 -1.84 0.00 0.00 35.03 33.09 2bye n LYS 68 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2bye s ASN 69 N 0.00 5.12 -1.25 4.39 3.84 -1.26 -5.00 114.94 120.78 2bye s ASN 69 Ca 0.00 -0.72 -0.20 0.00 0.21 0.00 0.00 52.86 52.15 2bye s ASN 69 Cb 0.00 -0.54 0.01 0.00 -0.55 0.00 0.00 41.25 40.17 2bye s ASN 69 CO 0.00 -0.69 1.82 -0.70 -2.79 0.00 0.00 177.10 174.73 2bye s GLU 70 N -4.17 3.38 -0.30 0.43 2.12 -1.26 -4.67 118.70 114.23 2bye s GLU 70 Ca 0.49 -1.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.12 2bye s GLU 70 Cb -0.04 -5.42 0.19 0.00 0.26 0.00 0.00 34.13 29.12 2bye s GLU 70 CO 0.29 -2.96 0.80 0.00 -0.54 0.00 0.00 175.26 172.84 2bye s ARG 72 N 2.89 3.61 0.22 0.00 6.06 -1.26 -3.18 118.95 127.29 2bye s ARG 72 Ca 0.15 1.69 -0.32 0.00 -2.50 0.00 0.00 55.73 54.75 2bye s ARG 72 Cb -0.09 -4.13 -0.12 0.00 0.06 0.00 0.00 34.95 30.68 2bye s ARG 72 CO -0.21 -1.52 1.68 0.21 -2.50 0.00 0.00 175.30 172.96 2bye s LYS 73 N 5.12 4.13 -0.15 5.12 2.20 -1.26 -3.95 119.74 130.95 2bye s LYS 73 Ca 0.78 2.58 -0.01 0.00 -0.36 0.00 0.00 55.97 58.96 2bye s LYS 73 Cb -0.26 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2bye s LYS 73 CO 0.32 -0.72 0.04 0.94 -0.36 0.00 0.00 175.35 175.58 2bye n GLN 74 N 3.66 -1.56 -1.43 4.03 7.27 -1.26 -4.96 117.38 123.14 2bye n GLN 74 Ca 0.14 1.52 -0.30 0.00 0.07 0.00 0.00 57.00 58.44 2bye n GLN 74 Cb 0.36 -3.11 0.21 0.00 2.41 0.00 0.00 30.24 30.11 2bye n GLN 74 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 2bye s PRO 75 N -0.92 -0.41 -0.05 3.69 0.02 -1.25 -5.07 135.00 131.00 2bye s PRO 75 Ca 0.02 -0.19 0.03 0.00 0.02 0.00 0.00 61.00 60.89 2bye s PRO 75 Cb -0.01 -1.70 -0.03 0.00 0.02 0.00 0.00 34.50 32.79 2bye s PRO 75 CO 0.36 -3.15 -0.13 -0.59 -0.33 0.00 0.00 177.00 173.16 2bye s PHE 76 N -3.36 2.73 0.43 6.54 -0.71 -1.26 -5.07 117.98 117.28 2bye s PHE 76 Ca 0.72 -0.14 0.08 0.00 -1.04 0.00 0.00 56.93 56.55 2bye s PHE 76 Cb -0.08 -1.64 0.01 0.00 -1.21 0.00 0.00 43.02 40.10 2bye s PHE 76 CO 0.55 0.20 0.53 -0.65 -1.34 0.00 0.00 175.22 174.51 2bye s GLN 77 N -0.74 2.73 -0.05 1.99 -1.52 -1.26 -4.73 119.66 116.09 2bye s GLN 77 Ca 0.11 -1.33 -0.23 0.00 -1.95 0.00 0.00 55.36 51.96 2bye s GLN 77 Cb -0.11 -2.66 0.05 0.00 -0.22 0.00 0.00 33.01 30.08 2bye s GLN 77 CO 0.01 -0.28 0.52 -0.98 -0.25 0.00 0.00 175.29 174.31 2bye s ARG 78 N -4.31 0.86 -0.09 2.91 1.70 -1.24 -5.04 118.95 113.75 2bye s ARG 78 Ca 0.53 0.12 -0.06 0.00 -0.47 0.00 0.00 55.73 55.86 2bye s ARG 78 Cb -0.08 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.66 2bye s ARG 78 CO 0.32 -0.25 0.15 0.00 -1.08 0.00 0.00 175.30 174.44 2bye s ALA 79 N -1.12 3.90 -0.37 7.88 0.00 -1.26 -2.10 121.76 128.70 2bye s ALA 79 Ca -0.11 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 50.88 2bye s ALA 79 Cb -0.02 -1.94 0.01 0.00 0.00 0.00 0.00 23.12 21.16 2bye s ALA 79 CO 0.07 0.66 1.25 0.42 0.00 0.00 0.00 175.76 178.16 2bye s ILE 80 N -1.12 4.16 0.22 0.00 -1.09 0.96 -4.95 121.20 119.38 2bye s ILE 80 Ca 0.19 1.27 -0.24 0.00 -2.23 0.00 0.00 60.65 59.63 2bye s ILE 80 Cb -0.12 -4.30 -0.09 0.00 -1.58 0.00 0.00 42.46 36.37 2bye s ILE 80 CO 0.09 -0.65 0.81 -0.83 -1.23 0.00 0.00 174.94 173.12 2bye s GLY 81 N 2.78 2.81 0.56 6.18 0.00 -1.26 -4.28 107.32 114.12 2bye s GLY 81 Ca 0.54 0.35 0.27 0.00 0.00 0.00 0.00 44.72 45.88 2bye s GLY 81 CO 0.26 0.81 2.01 -2.55 0.00 0.00 0.00 173.10 173.62 2bye h PRO 82 N 3.78 0.00 -0.15 2.90 0.11 -1.95 -0.31 132.00 136.37 2bye h PRO 82 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 2bye h PRO 82 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bye h PRO 82 CO 0.66 0.00 -0.11 0.93 -0.21 0.00 0.00 178.00 179.27 2bye h GLU 83 N 0.00 0.34 -5.93 1.05 4.39 -1.96 -3.26 114.58 109.21 2bye h GLU 83 Ca 0.18 -0.17 -0.52 0.00 0.34 0.00 0.00 59.36 59.20 2bye h GLU 83 Cb 0.86 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.49 2bye h GLU 83 CO -0.00 0.70 1.44 -1.21 -1.16 0.00 0.00 179.01 178.78 2bye s GLU 84 N -4.43 2.68 0.20 2.33 2.02 -0.13 -4.84 118.70 116.54 2bye s GLU 84 Ca -0.14 1.22 -0.19 0.00 0.02 0.00 0.00 54.97 55.88 2bye s GLU 84 Cb 0.05 -4.41 -0.08 0.00 0.10 0.00 0.00 34.13 29.80 2bye s GLU 84 CO 0.75 -2.64 0.70 -1.21 0.02 0.00 0.00 175.26 172.88 2bye s GLU 85 N 7.04 4.22 0.40 1.61 2.02 -1.26 -4.30 118.70 128.42 2bye s GLU 85 Ca 0.84 0.82 0.07 0.00 0.02 0.00 0.00 54.97 56.71 2bye s GLU 85 Cb -0.19 -2.91 0.82 0.00 0.10 0.00 0.00 34.13 31.96 2bye s GLU 85 CO 0.27 0.42 2.03 -0.84 0.02 0.00 0.00 175.26 177.16 2bye h ILE 86 N 2.79 1.12 0.00 -1.63 3.07 -1.87 -0.27 117.51 120.71 2bye h ILE 86 Ca -0.48 -0.28 -0.00 0.00 1.55 0.00 0.00 64.86 65.65 2bye h ILE 86 Cb 1.19 0.57 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 2bye h ILE 86 CO 0.65 0.13 -0.02 0.24 -1.05 0.00 0.00 178.15 178.10 2bye h MET 87 N 0.55 0.00 0.07 0.16 2.86 -1.93 -0.10 114.93 116.53 2bye h MET 87 Ca 0.14 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.52 2bye h MET 87 Cb -0.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.66 2bye h MET 87 CO -0.03 0.02 -1.10 1.96 1.06 0.00 0.00 176.91 178.82 2bye h GLN 88 N 0.00 0.45 0.03 1.72 4.20 -1.45 -1.92 115.11 118.15 2bye h GLN 88 Ca -0.00 -0.57 -0.00 0.00 0.06 0.00 0.00 58.65 58.14 2bye h GLN 88 Cb 0.58 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.55 2bye h GLN 88 CO 0.00 1.22 -0.02 0.82 -0.67 0.00 0.00 178.83 180.19 2bye h ILE 89 N 0.21 1.06 0.00 2.54 1.08 -0.98 -2.89 117.51 118.53 2bye h ILE 89 Ca -0.13 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.02 2bye h ILE 89 Cb 1.77 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.76 2bye h ILE 89 CO 0.20 0.07 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.48 2bye h LEU 90 N -0.17 0.00 0.00 1.44 3.38 -1.06 -1.53 115.31 117.36 2bye h LEU 90 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bye h LEU 90 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2bye h LEU 90 CO 0.01 0.18 0.00 -1.20 0.09 0.00 0.00 178.44 177.52 2bye n SER 91 N -3.55 0.00 -0.00 -0.43 7.64 -0.72 -3.47 113.62 113.09 2bye n SER 91 Ca -0.01 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 2bye n SER 91 Cb 0.33 -0.44 -0.10 0.00 -1.01 0.00 0.00 64.21 62.99 2bye n SER 91 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2bye h SER 92 N 0.00 -0.06 0.00 6.43 0.02 -1.12 -3.46 113.55 115.36 2bye h SER 92 Ca 0.00 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2bye h SER 92 Cb 0.41 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2bye h SER 92 CO 0.00 0.55 0.00 1.87 -1.14 0.00 0.00 176.83 178.11 2bye n TRP 93 N -4.83 0.00 -2.31 3.45 -0.00 -1.23 -4.88 117.44 107.65 2bye n TRP 93 Ca -0.09 0.00 -0.41 0.00 -0.00 0.00 0.00 57.50 57.01 2bye n TRP 93 Cb 0.30 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.58 2bye n TRP 93 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 177.69 177.63 2bye s PHE 94 N 0.00 3.34 0.02 5.87 0.08 -1.26 -4.95 117.98 121.08 2bye s PHE 94 Ca 0.00 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.30 2bye s PHE 94 Cb 0.00 -3.47 -0.07 0.00 -0.57 0.00 0.00 43.02 38.91 2bye s PHE 94 CO 0.00 -1.17 1.64 -2.14 -0.10 0.00 0.00 175.22 173.45 2bye s PRO 95 N -1.51 4.20 0.10 0.24 0.02 -1.26 -4.91 135.00 131.88 2bye s PRO 95 Ca 0.47 2.26 -0.17 0.00 0.02 0.00 0.00 61.00 63.58 2bye s PRO 95 Cb -0.35 -3.74 -0.06 0.00 0.02 0.00 0.00 34.50 30.37 2bye s PRO 95 CO 0.46 -0.76 1.57 0.93 -0.33 0.00 0.00 177.00 178.87 2bye h GLU 96 N 8.74 0.50 0.00 5.54 5.08 -1.99 -3.43 114.58 129.01 2bye h GLU 96 Ca -0.41 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2bye h GLU 96 Cb 1.19 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2bye h GLU 96 CO 0.93 0.61 0.00 -1.91 -1.00 0.00 0.00 179.01 177.64 2bye n GLU 97 N -4.62 0.00 -4.58 2.33 0.00 -1.26 -5.08 120.64 107.43 2bye n GLU 97 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.86 2bye n GLU 97 Cb 0.22 -0.13 -0.08 0.00 0.00 0.00 0.00 31.44 31.45 2bye n GLU 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2bye s GLY 98 N -4.54 2.71 0.00 8.31 0.00 -1.26 -4.82 107.32 107.72 2bye s GLY 98 Ca 0.00 -1.05 0.26 0.00 0.00 0.00 0.00 44.72 43.93 2bye s GLY 98 CO 0.00 -1.93 1.58 1.58 0.00 0.00 0.00 173.10 174.33 2bye n TYR 99 N -1.00 0.06 -2.67 1.90 4.11 -1.26 -4.66 117.16 113.64 2bye n TYR 99 Ca -0.09 -0.03 -0.43 0.00 -0.00 0.00 0.00 57.90 57.35 2bye n TYR 99 Cb 0.66 0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.97 2bye n TYR 99 CO 0.00 0.00 0.00 -1.64 -0.00 0.00 0.00 176.86 175.22 2bye s MET 100 N -1.94 4.19 -0.17 -3.48 -1.94 -1.26 -4.99 119.30 109.72 2bye s MET 100 Ca 0.35 1.25 -0.32 0.00 -1.71 0.00 0.00 55.69 55.26 2bye s MET 100 Cb 0.20 -3.67 0.14 0.00 2.01 0.00 0.00 34.83 33.51 2bye s MET 100 CO 0.31 -0.71 1.12 0.20 -0.01 0.00 0.00 175.02 175.94 2bye s GLY 101 N 1.35 -0.24 -0.06 -0.03 0.00 -1.25 -3.88 107.32 103.20 2bye s GLY 101 Ca 0.44 1.85 -0.31 0.00 0.00 0.00 0.00 44.72 46.70 2bye s GLY 101 CO 0.09 0.75 0.68 1.09 0.00 0.00 0.00 173.10 175.71 2bye s ARG 102 N -1.89 1.05 -0.01 2.90 3.03 -1.00 -4.94 118.95 118.08 2bye s ARG 102 Ca 0.05 0.28 -0.28 0.00 2.03 0.00 0.00 55.73 57.81 2bye s ARG 102 Cb -0.01 0.50 -0.03 0.00 -1.03 0.00 0.00 34.95 34.38 2bye s ARG 102 CO -0.04 -0.32 0.91 0.42 -1.13 0.00 0.00 175.30 175.13 2bye s ILE 103 N -1.15 4.91 -0.17 4.99 1.01 -1.25 -1.64 121.20 127.90 2bye s ILE 103 Ca -0.11 1.90 -0.02 0.00 0.00 0.00 0.00 60.65 62.42 2bye s ILE 103 Cb -0.00 -4.25 -0.02 0.00 0.01 0.00 0.00 42.46 38.21 2bye s ILE 103 CO 0.10 0.19 -0.08 -0.69 0.00 0.00 0.00 174.94 174.46 2bye s VAL 104 N 0.93 3.35 -0.53 2.92 1.01 -0.31 -0.52 120.40 127.25 2bye s VAL 104 Ca 0.48 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 2bye s VAL 104 Cb -0.20 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.71 2bye s VAL 104 CO 0.25 0.48 1.58 -0.22 0.00 0.00 0.00 175.10 177.19 2bye s LEU 105 N 0.74 3.39 0.00 3.92 2.96 -1.24 -1.18 118.68 127.27 2bye s LEU 105 Ca -0.03 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.34 2bye s LEU 105 Cb -0.15 -3.01 0.09 0.00 0.50 0.00 0.00 46.19 43.61 2bye s LEU 105 CO 0.02 -1.86 0.59 0.29 -1.32 0.00 0.00 176.35 174.07 2bye n LYS 106 N 8.74 0.22 -4.40 1.98 4.76 0.15 -4.50 118.16 125.11 2bye n LYS 106 Ca 0.16 -1.65 -0.21 0.00 -2.87 0.00 0.00 58.31 53.73 2bye n LYS 106 Cb 0.49 -0.38 -0.16 0.00 -1.84 0.00 0.00 35.03 33.14 2bye n LYS 106 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2bye s THR 107 N -1.72 0.83 -1.75 -0.18 -4.23 -1.26 -2.47 115.64 104.86 2bye s THR 107 Ca 0.40 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 2bye s THR 107 Cb -0.02 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.05 2bye s THR 107 CO 0.26 0.27 0.65 1.67 -0.54 0.00 0.00 174.62 176.94 2bye n GLN 108 N 3.58 0.75 -4.17 3.99 0.00 0.64 -4.78 117.38 117.38 2bye n GLN 108 Ca -0.21 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.66 2bye n GLN 108 Cb 0.53 -1.09 -0.10 0.00 0.00 0.00 0.00 30.24 29.57 2bye n GLN 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2bye s GLN 109 N -1.75 0.82 0.00 3.69 0.74 -1.26 -5.04 119.66 116.86 2bye s GLN 109 Ca 0.00 -1.20 0.29 0.00 0.05 0.00 0.00 55.36 54.50 2bye s GLN 109 Cb 0.00 -0.39 1.32 0.00 1.10 0.00 0.00 33.01 35.04 2bye s GLN 109 CO 0.00 0.04 1.90 -0.85 -0.55 0.00 0.00 175.29 175.82