#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iby n HIS 2 N 0.00 0.00 -4.68 -1.84 1.44 -1.26 -4.70 115.22 104.18 1iby n HIS 2 Ca 0.00 0.00 -0.31 0.00 -2.01 0.00 0.00 57.72 55.40 1iby n HIS 2 Cb 0.00 -0.15 -0.07 0.00 0.12 0.00 0.00 29.99 29.89 1iby n HIS 2 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1iby n ASN 3 N -1.15 2.62 -4.81 4.39 3.02 -1.26 -5.02 115.26 113.05 1iby n ASN 3 Ca 0.05 -3.27 -0.35 0.00 -0.03 0.00 0.00 54.58 50.98 1iby n ASN 3 Cb 0.05 0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 39.78 1iby n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1iby s PHE 4 N -2.98 3.57 -0.16 3.10 0.08 -0.72 -4.96 117.98 115.91 1iby s PHE 4 Ca 0.08 1.49 0.00 0.00 0.12 0.00 0.00 56.93 58.63 1iby s PHE 4 Cb 0.00 -2.72 0.03 0.00 -0.57 0.00 0.00 43.02 39.77 1iby s PHE 4 CO 0.06 0.20 -0.11 -0.80 -0.10 0.00 0.00 175.22 174.47 1iby s ASN 5 N -1.82 2.77 -0.10 1.36 0.01 -1.26 -0.09 114.94 115.81 1iby s ASN 5 Ca 0.49 -0.57 0.04 0.00 -0.71 0.00 0.00 52.86 52.11 1iby s ASN 5 Cb -0.15 -1.08 -0.00 0.00 0.41 0.00 0.00 41.25 40.43 1iby s ASN 5 CO 0.20 -0.11 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.77 1iby s VAL 6 N 1.53 2.23 -0.16 1.60 1.01 -0.09 -4.28 120.40 122.25 1iby s VAL 6 Ca 0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.02 1iby s VAL 6 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1iby s VAL 6 CO -0.09 0.56 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 1iby s VAL 7 N 0.26 3.63 -0.28 2.92 1.01 0.34 -0.46 120.40 127.81 1iby s VAL 7 Ca -0.15 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 1iby s VAL 7 Cb -0.17 -2.58 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1iby s VAL 7 CO 0.08 0.49 0.30 -0.63 0.00 0.00 0.00 175.10 175.34 1iby s ILE 8 N 0.49 5.23 0.02 2.22 1.01 0.39 -0.31 121.20 130.25 1iby s ILE 8 Ca -0.05 0.36 0.08 0.00 0.00 0.00 0.00 60.65 61.05 1iby s ILE 8 Cb -0.15 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 1iby s ILE 8 CO 0.03 0.17 -0.25 0.20 0.00 0.00 0.00 174.94 175.09 1iby s ASN 9 N 1.69 2.98 -0.08 3.58 0.01 -0.14 -0.11 114.94 122.87 1iby s ASN 9 Ca 0.12 -0.52 -0.04 0.00 -0.71 0.00 0.00 52.86 51.70 1iby s ASN 9 Cb -0.16 -0.29 -0.04 0.00 0.41 0.00 0.00 41.25 41.17 1iby s ASN 9 CO 0.10 0.27 0.10 0.00 -1.51 0.00 0.00 177.10 176.06 1iby s ALA 10 N -0.71 3.69 -0.11 0.60 0.00 -1.26 -0.41 121.76 123.56 1iby s ALA 10 Ca 0.10 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.32 1iby s ALA 10 Cb -0.10 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.28 1iby s ALA 10 CO 0.01 0.64 -0.07 0.71 0.00 0.00 0.00 175.76 177.05 1iby s TYR 11 N -1.06 1.43 -0.72 0.00 1.51 0.17 -4.98 117.35 113.69 1iby s TYR 11 Ca 0.17 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 1iby s TYR 11 Cb -0.12 -1.20 0.18 0.00 -0.11 0.00 0.00 41.96 40.71 1iby s TYR 11 CO 0.07 -0.50 0.55 0.34 -1.11 0.00 0.00 175.55 174.90 1iby s ASP 12 N 1.71 5.27 -0.23 2.29 -1.08 -1.26 -0.83 116.67 122.54 1iby s ASP 12 Ca 0.05 -3.43 -0.13 0.00 -0.52 0.00 0.00 52.55 48.51 1iby s ASP 12 Cb -0.13 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.50 1iby s ASP 12 CO -0.08 -0.21 0.29 -0.89 0.52 0.00 0.00 175.17 174.80 1iby s THR 13 N -0.89 5.26 -0.12 1.71 2.01 0.31 -5.00 115.64 118.93 1iby s THR 13 Ca 0.23 0.46 -0.03 0.00 0.31 0.00 0.00 61.69 62.65 1iby s THR 13 Cb -0.13 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.80 1iby s THR 13 CO -0.09 0.28 0.05 -0.89 -0.69 0.00 0.00 174.62 173.28 1iby s THR 14 N 1.32 0.11 -0.38 -0.82 2.01 -1.26 -0.28 115.64 116.33 1iby s THR 14 Ca 0.13 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.15 1iby s THR 14 Cb -0.14 -0.52 0.14 0.00 0.01 0.00 0.00 72.50 71.98 1iby s THR 14 CO 0.07 -0.02 0.21 -0.63 -0.69 0.00 0.00 174.62 173.56 1iby s ILE 15 N 2.07 0.65 0.31 1.82 1.01 0.98 -4.98 121.20 123.06 1iby s ILE 15 Ca 0.03 -2.00 -0.01 0.00 0.00 0.00 0.00 60.65 58.67 1iby s ILE 15 Cb -0.14 -1.47 0.26 0.00 0.01 0.00 0.00 42.46 41.12 1iby s ILE 15 CO -0.06 -0.93 1.98 -0.65 0.00 0.00 0.00 174.94 175.27 1iby h PRO 16 N 6.98 1.02 -1.71 2.79 0.11 -1.91 -0.23 132.00 139.05 1iby h PRO 16 Ca 0.02 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.12 1iby h PRO 16 Cb 0.96 -0.23 -0.25 0.00 0.11 0.00 0.00 31.00 31.59 1iby h PRO 16 CO 0.36 0.67 0.33 -2.00 -0.21 0.00 0.00 178.00 177.15 1iby s GLU 17 N -5.88 0.56 -0.19 1.05 2.12 -1.26 -0.51 118.70 114.60 1iby s GLU 17 Ca -0.11 0.76 -0.18 0.00 0.36 0.00 0.00 54.97 55.80 1iby s GLU 17 Cb 0.18 0.22 0.05 0.00 0.26 0.00 0.00 34.13 34.84 1iby s GLU 17 CO 0.79 -0.08 0.52 -1.17 -0.54 0.00 0.00 175.26 174.77 1iby s LEU 18 N 0.67 0.02 -0.26 2.70 0.20 -0.73 -5.01 118.68 116.28 1iby s LEU 18 Ca -0.02 1.04 0.00 0.00 0.69 0.00 0.00 54.13 55.85 1iby s LEU 18 Cb -0.05 1.77 0.04 0.00 -0.43 0.00 0.00 46.19 47.53 1iby s LEU 18 CO -0.09 -0.18 -0.07 0.21 -0.29 0.00 0.00 176.35 175.93 1iby s ASN 19 N 0.28 4.44 -0.08 3.68 3.84 -1.26 -0.70 114.94 125.14 1iby s ASN 19 Ca -0.00 -1.17 0.04 0.00 0.21 0.00 0.00 52.86 51.94 1iby s ASN 19 Cb -0.04 -1.62 0.00 0.00 -0.55 0.00 0.00 41.25 39.04 1iby s ASN 19 CO 0.01 -0.18 -0.20 -0.69 -2.79 0.00 0.00 177.10 173.25 1iby s VAL 20 N 1.22 1.72 -1.59 -5.21 1.01 0.40 -4.74 120.40 113.21 1iby s VAL 20 Ca -0.04 -0.84 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1iby s VAL 20 Cb -0.18 -1.49 0.10 0.00 0.00 0.00 0.00 36.38 34.80 1iby s VAL 20 CO -0.04 0.49 0.69 1.21 0.00 0.00 0.00 175.10 177.45 1iby n GLU 21 N 3.44 -3.49 -0.66 2.72 2.13 -1.26 -0.09 120.64 123.42 1iby n GLU 21 Ca -0.20 0.41 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1iby n GLU 21 Cb 0.53 -4.96 0.00 0.00 0.27 0.00 0.00 31.44 27.27 1iby n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1iby n GLY 22 N -1.63 1.45 3.54 8.31 0.00 -1.26 -5.00 105.19 110.60 1iby n GLY 22 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 1iby n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iby s VAL 23 N -3.43 4.48 -0.23 1.61 1.01 0.87 -5.08 120.40 119.62 1iby s VAL 23 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.73 1iby s VAL 23 Cb 0.00 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 1iby s VAL 23 CO 0.00 0.41 0.20 -0.89 0.00 0.00 0.00 175.10 174.83 1iby s THR 24 N 0.88 5.33 -0.07 3.92 2.01 -1.26 -0.45 115.64 125.99 1iby s THR 24 Ca 0.03 0.28 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1iby s THR 24 Cb -0.14 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1iby s THR 24 CO 0.02 0.33 -0.10 0.68 -0.69 0.00 0.00 174.62 174.87 1iby s VAL 25 N 1.08 3.43 0.12 3.82 -7.23 0.12 -4.98 120.40 116.76 1iby s VAL 25 Ca 0.10 -0.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1iby s VAL 25 Cb -0.14 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 1iby s VAL 25 CO 0.05 0.58 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.80 1iby s LYS 26 N -0.62 0.93 -1.51 4.82 1.02 -1.26 -1.77 119.74 121.36 1iby s LYS 26 Ca 0.09 -1.35 -0.08 0.00 0.02 0.00 0.00 55.97 54.65 1iby s LYS 26 Cb -0.11 -0.44 0.06 0.00 -0.52 0.00 0.00 37.83 36.82 1iby s LYS 26 CO 0.02 0.04 0.66 0.09 -0.92 0.00 0.00 175.35 175.24 1iby n ASN 27 N -0.00 -2.15 -4.74 2.83 3.02 0.34 -4.94 115.26 109.62 1iby n ASN 27 Ca -0.12 -0.95 -0.38 0.00 -0.03 0.00 0.00 54.58 53.10 1iby n ASN 27 Cb 0.60 -3.22 -0.06 0.00 -0.61 0.00 0.00 39.78 36.49 1iby n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1iby s ILE 28 N -3.61 5.08 -0.28 2.41 1.01 -0.11 -4.96 121.20 120.75 1iby s ILE 28 Ca 0.35 1.12 0.01 0.00 0.00 0.00 0.00 60.65 62.13 1iby s ILE 28 Cb -0.19 -3.89 0.16 0.00 0.01 0.00 0.00 42.46 38.55 1iby s ILE 28 CO 0.88 0.35 0.42 -0.60 0.00 0.00 0.00 174.94 175.99 1iby s ARG 29 N 0.38 0.41 -0.03 2.79 6.06 -1.26 -0.01 118.95 127.29 1iby s ARG 29 Ca 0.29 0.34 -0.00 0.00 -2.50 0.00 0.00 55.73 53.86 1iby s ARG 29 Cb -0.16 -0.26 0.03 0.00 0.06 0.00 0.00 34.95 34.61 1iby s ARG 29 CO 0.14 -0.89 0.03 0.00 -2.50 0.00 0.00 175.30 172.08 1iby s ALA 30 N 2.58 0.22 -0.15 6.12 0.00 0.61 -5.01 121.76 126.13 1iby s ALA 30 Ca 0.11 0.21 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1iby s ALA 30 Cb -0.13 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.60 1iby s ALA 30 CO -0.25 -0.22 -0.20 0.12 0.00 0.00 0.00 175.76 175.21 1iby s PHE 31 N 1.40 2.71 0.15 0.00 5.36 -1.26 -0.53 117.98 125.81 1iby s PHE 31 Ca -0.05 -1.34 -0.11 0.00 -0.96 0.00 0.00 56.93 54.48 1iby s PHE 31 Cb -0.13 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 1iby s PHE 31 CO -0.03 -0.62 0.32 -0.80 -1.46 0.00 0.00 175.22 172.63 1iby s ASN 32 N 0.90 -0.02 -0.05 6.13 0.01 -0.01 -4.78 114.94 117.12 1iby s ASN 32 Ca -0.05 -0.72 0.04 0.00 -0.71 0.00 0.00 52.86 51.42 1iby s ASN 32 Cb -0.15 0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.96 1iby s ASN 32 CO -0.03 -0.89 -0.16 -0.69 -1.51 0.00 0.00 177.10 173.82 1iby s VAL 33 N -3.92 1.34 0.06 1.60 1.01 -0.15 0.44 120.40 120.79 1iby s VAL 33 Ca 0.13 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.52 1iby s VAL 33 Cb 0.03 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1iby s VAL 33 CO -0.03 0.39 -0.17 -0.76 0.00 0.00 0.00 175.10 174.53 1iby s LEU 34 N 0.18 2.23 -0.21 3.92 1.43 0.45 -1.91 118.68 124.78 1iby s LEU 34 Ca -0.06 -0.57 -0.14 0.00 -1.03 0.00 0.00 54.13 52.32 1iby s LEU 34 Cb -0.12 -0.74 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 1iby s LEU 34 CO 0.03 0.04 0.31 0.20 0.23 0.00 0.00 176.35 177.16 1iby s ASN 35 N -1.50 6.34 -0.24 2.29 -0.87 -1.26 -0.97 114.94 118.73 1iby s ASN 35 Ca 0.03 0.40 0.01 0.00 -1.57 0.00 0.00 52.86 51.73 1iby s ASN 35 Cb -0.09 -2.19 0.06 0.00 -0.02 0.00 0.00 41.25 39.01 1iby s ASN 35 CO 0.02 -0.01 -0.04 -1.61 -2.57 0.00 0.00 177.10 172.89 1iby s GLU 36 N 1.11 1.58 0.65 -0.60 2.02 0.58 -2.17 118.70 121.87 1iby s GLU 36 Ca 0.15 -1.04 -0.11 0.00 0.02 0.00 0.00 54.97 53.99 1iby s GLU 36 Cb -0.14 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 1iby s GLU 36 CO 0.06 -0.63 1.04 -1.25 0.02 0.00 0.00 175.26 174.50 1iby s PRO 37 N 1.38 3.30 0.09 0.39 0.04 -1.26 -0.50 135.00 138.43 1iby s PRO 37 Ca -0.04 0.85 0.17 0.00 0.04 0.00 0.00 61.00 62.02 1iby s PRO 37 Cb -0.19 -2.04 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 1iby s PRO 37 CO -0.07 -0.81 0.90 0.93 0.04 0.00 0.00 177.00 177.99 1iby h GLU 38 N -0.47 0.00 -5.44 4.56 5.08 -1.83 -3.46 114.58 113.02 1iby h GLU 38 Ca -0.44 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.27 1iby h GLU 38 Cb 1.20 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.21 1iby h GLU 38 CO 0.60 0.30 -0.72 0.99 -1.00 0.00 0.00 179.01 179.18 1iby s THR 39 N -2.94 3.45 -0.13 1.13 2.01 -1.26 -1.17 115.64 116.73 1iby s THR 39 Ca -0.02 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.47 1iby s THR 39 Cb 0.09 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 70.14 1iby s THR 39 CO 0.80 0.52 -0.17 -0.76 -0.69 0.00 0.00 174.62 174.33 1iby s LEU 40 N 0.18 1.83 -0.18 4.42 1.43 0.21 -4.96 118.68 121.61 1iby s LEU 40 Ca -0.05 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1iby s LEU 40 Cb -0.14 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.86 1iby s LEU 40 CO 0.04 0.02 -0.12 -0.69 0.23 0.00 0.00 176.35 175.83 1iby s VAL 41 N 1.04 2.79 0.32 -1.59 1.01 -1.26 0.24 120.40 122.96 1iby s VAL 41 Ca -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1iby s VAL 41 Cb -0.15 -2.22 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1iby s VAL 41 CO -0.04 0.49 0.08 0.68 0.00 0.00 0.00 175.10 176.31 1iby s VAL 42 N 1.15 0.92 -0.06 2.92 -7.23 0.59 -4.97 120.40 113.73 1iby s VAL 42 Ca 0.01 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1iby s VAL 42 Cb -0.14 -2.68 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1iby s VAL 42 CO -0.04 0.00 0.14 -0.75 -0.31 0.00 0.00 175.10 174.14 1iby s LYS 43 N -3.90 3.36 0.16 4.82 2.20 -1.26 -0.92 119.74 124.21 1iby s LYS 43 Ca 0.35 -0.27 -0.34 0.00 -0.36 0.00 0.00 55.97 55.35 1iby s LYS 43 Cb 0.07 -3.08 -0.14 0.00 -1.51 0.00 0.00 37.83 33.17 1iby s LYS 43 CO 0.15 0.72 1.54 1.17 -0.36 0.00 0.00 175.35 178.56 1iby n LYS 44 N 1.48 2.06 0.00 4.03 4.81 0.15 -0.87 118.16 129.82 1iby n LYS 44 Ca -0.15 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1iby n LYS 44 Cb 0.54 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.10 1iby n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1iby n GLY 45 N 3.20 2.56 3.77 3.14 0.00 0.17 -5.00 105.19 113.02 1iby n GLY 45 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1iby n GLY 45 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iby s ASP 46 N -1.34 6.57 -0.55 1.61 1.01 -0.05 -4.70 116.67 119.23 1iby s ASP 46 Ca 0.00 2.83 -0.22 0.00 0.71 0.00 0.00 52.55 55.87 1iby s ASP 46 Cb 0.00 -2.65 0.05 0.00 1.01 0.00 0.00 42.92 41.33 1iby s ASP 46 CO 0.00 -0.71 0.82 0.00 0.21 0.00 0.00 175.17 175.49 1iby s ALA 47 N -0.83 3.24 0.06 5.23 0.00 -1.26 -0.86 121.76 127.35 1iby s ALA 47 Ca 0.53 -1.50 -0.21 0.00 0.00 0.00 0.00 51.96 50.79 1iby s ALA 47 Cb -0.43 -3.60 -0.06 0.00 0.00 0.00 0.00 23.12 19.03 1iby s ALA 47 CO 0.54 -2.28 0.61 0.08 0.00 0.00 0.00 175.76 174.71 1iby s VAL 48 N 3.45 4.76 -0.15 0.00 1.01 0.15 -4.94 120.40 124.66 1iby s VAL 48 Ca 0.24 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1iby s VAL 48 Cb -0.16 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.32 1iby s VAL 48 CO 0.15 0.50 -0.03 -0.54 0.00 0.00 0.00 175.10 175.18 1iby s LYS 49 N -0.76 1.21 -0.31 2.72 1.02 -1.26 -1.44 119.74 120.91 1iby s LYS 49 Ca 0.31 -0.39 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 1iby s LYS 49 Cb -0.19 -1.83 0.05 0.00 -0.52 0.00 0.00 37.83 35.34 1iby s LYS 49 CO 0.19 -0.43 0.03 0.08 -0.92 0.00 0.00 175.35 174.31 1iby s VAL 50 N 1.72 3.17 -0.57 3.17 1.01 0.16 -1.76 120.40 127.29 1iby s VAL 50 Ca 0.01 -1.36 -0.25 0.00 0.00 0.00 0.00 61.98 60.39 1iby s VAL 50 Cb -0.15 -2.83 0.04 0.00 0.00 0.00 0.00 36.38 33.44 1iby s VAL 50 CO -0.07 -0.15 0.98 -0.69 0.00 0.00 0.00 175.10 175.17 1iby s VAL 51 N 1.28 4.33 -0.35 2.92 1.01 0.87 -0.34 120.40 130.10 1iby s VAL 51 Ca -0.04 0.30 -0.15 0.00 0.00 0.00 0.00 61.98 62.10 1iby s VAL 51 Cb -0.20 -4.58 -0.01 0.00 0.00 0.00 0.00 36.38 31.59 1iby s VAL 51 CO -0.00 -1.18 0.32 -0.69 0.00 0.00 0.00 175.10 173.54 1iby s VAL 52 N 4.11 5.21 -0.32 2.92 1.01 0.28 -0.91 120.40 132.70 1iby s VAL 52 Ca 0.31 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1iby s VAL 52 Cb -0.12 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1iby s VAL 52 CO 0.19 -0.11 0.21 -0.70 0.00 0.00 0.00 175.10 174.69 1iby s GLU 53 N 1.90 3.54 -0.55 2.72 2.12 0.39 -0.55 118.70 128.27 1iby s GLU 53 Ca 0.09 -0.60 -0.22 0.00 0.36 0.00 0.00 54.97 54.60 1iby s GLU 53 Cb -0.17 -3.72 0.05 0.00 0.26 0.00 0.00 34.13 30.55 1iby s GLU 53 CO 0.11 -0.39 0.82 1.21 -0.54 0.00 0.00 175.26 176.47 1iby s ASN 54 N 1.70 6.27 0.00 -1.70 3.04 0.16 -0.46 114.94 123.95 1iby s ASN 54 Ca 0.06 -0.67 0.24 0.00 0.04 0.00 0.00 52.86 52.53 1iby s ASN 54 Cb -0.17 -2.37 0.45 0.00 -1.54 0.00 0.00 41.25 37.61 1iby s ASN 54 CO 0.10 -1.12 1.40 0.29 -3.04 0.00 0.00 177.10 174.73 1iby n LYS 55 N 6.97 2.22 -1.91 0.43 5.02 0.85 -0.49 118.16 131.25 1iby n LYS 55 Ca -0.02 -1.80 -0.34 0.00 -2.02 0.00 0.00 58.31 54.12 1iby n LYS 55 Cb 0.46 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 34.04 1iby n LYS 55 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1iby s SER 56 N -1.81 5.18 0.00 4.39 0.15 -1.08 -4.61 113.70 115.91 1iby s SER 56 Ca 0.33 2.18 0.21 0.00 0.70 0.00 0.00 55.95 59.37 1iby s SER 56 Cb 0.21 -2.57 1.04 0.00 -1.71 0.00 0.00 66.02 62.98 1iby s SER 56 CO 0.31 -1.59 1.68 -0.81 1.20 0.00 0.00 173.24 174.03 1iby n PRO 57 N -1.97 0.24 -4.40 5.44 -0.04 -1.26 -3.89 135.00 129.12 1iby n PRO 57 Ca 0.12 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 1iby n PRO 57 Cb 0.51 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 1iby n PRO 57 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1iby s ILE 58 N -2.66 0.59 0.40 0.52 -4.36 -1.26 -4.80 121.20 109.63 1iby s ILE 58 Ca 0.18 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.30 1iby s ILE 58 Cb 0.14 -2.55 -0.10 0.00 1.25 0.00 0.00 42.46 41.20 1iby s ILE 58 CO 0.34 0.00 1.46 -1.20 0.24 0.00 0.00 174.94 175.78 1iby n SER 59 N -0.90 3.61 -4.25 4.36 7.64 -1.26 -3.80 113.62 119.02 1iby n SER 59 Ca -0.01 1.20 -0.23 0.00 1.01 0.00 0.00 58.87 60.83 1iby n SER 59 Cb 0.65 -1.61 -0.13 0.00 -1.01 0.00 0.00 64.21 62.12 1iby n SER 59 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1iby s GLU 60 N -2.18 1.14 0.15 1.43 0.41 0.37 -4.92 118.70 115.10 1iby s GLU 60 Ca 0.55 -1.03 0.03 0.00 -0.41 0.00 0.00 54.97 54.11 1iby s GLU 60 Cb -0.47 -1.30 -0.04 0.00 -1.78 0.00 0.00 34.13 30.54 1iby s GLU 60 CO 0.62 0.31 0.28 0.20 -0.49 0.00 0.00 175.26 176.18 1iby s GLY 61 N -1.60 1.71 -0.26 -1.39 0.00 -1.26 0.54 107.32 105.06 1iby s GLY 61 Ca 0.05 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.72 1iby s GLY 61 CO 0.03 -1.04 0.31 -0.12 0.00 0.00 0.00 173.10 172.29 1iby s PHE 62 N -1.74 -0.58 0.04 1.90 5.36 -0.13 -4.25 117.98 118.59 1iby s PHE 62 Ca 0.34 0.22 0.06 0.00 -0.96 0.00 0.00 56.93 56.60 1iby s PHE 62 Cb -0.11 -0.29 -0.02 0.00 -0.34 0.00 0.00 43.02 42.26 1iby s PHE 62 CO 0.28 -0.81 -0.18 -1.12 -1.46 0.00 0.00 175.22 171.93 1iby s SER 63 N 2.42 2.16 -0.34 6.13 0.01 0.23 -1.03 113.70 123.28 1iby s SER 63 Ca 0.10 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.86 1iby s SER 63 Cb -0.14 -0.16 0.14 0.00 0.21 0.00 0.00 66.02 66.06 1iby s SER 63 CO -0.24 0.11 0.28 -0.63 0.41 0.00 0.00 173.24 173.17 1iby s ILE 64 N -0.83 -0.17 0.22 1.44 1.01 0.75 -0.99 121.20 122.63 1iby s ILE 64 Ca 0.05 -1.11 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 1iby s ILE 64 Cb -0.08 -0.90 0.24 0.00 0.01 0.00 0.00 42.46 41.73 1iby s ILE 64 CO 0.02 -0.71 1.64 0.44 0.00 0.00 0.00 174.94 176.32 1iby h ASP 65 N 7.38 -0.45 -0.40 3.58 5.19 -1.78 -2.03 116.42 127.92 1iby h ASP 65 Ca -0.00 0.18 0.11 0.00 -0.62 0.00 0.00 57.03 56.70 1iby h ASP 65 Cb 1.03 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.87 1iby h ASP 65 CO 0.27 -0.18 0.45 0.00 -3.12 0.00 0.00 179.24 176.66 1iby h ALA 66 N 1.63 2.09 -0.03 3.45 0.00 -1.93 -1.39 119.26 123.07 1iby h ALA 66 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1iby h ALA 66 Cb 0.54 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iby h ALA 66 CO -0.62 -0.65 -0.13 1.19 0.00 0.00 0.00 179.25 179.03 1iby n PHE 67 N -3.66 0.11 -2.64 0.00 3.01 -0.89 -4.97 117.46 108.42 1iby n PHE 67 Ca 0.07 -1.14 -0.21 0.00 1.01 0.00 0.00 57.45 57.18 1iby n PHE 67 Cb 0.62 -0.20 0.01 0.00 -0.01 0.00 0.00 39.48 39.90 1iby n PHE 67 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iby n GLY 68 N -1.28 -0.50 3.58 1.37 0.00 -0.52 -4.97 105.19 102.87 1iby n GLY 68 Ca 0.18 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1iby n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iby s VAL 69 N -3.09 5.20 -0.41 1.61 1.01 -0.82 -4.97 120.40 118.92 1iby s VAL 69 Ca 0.12 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.46 1iby s VAL 69 Cb -0.05 -3.71 0.17 0.00 0.00 0.00 0.00 36.38 32.79 1iby s VAL 69 CO 0.15 0.09 0.47 -1.58 0.00 0.00 0.00 175.10 174.23 1iby s GLN 70 N 2.00 0.79 0.22 2.72 0.74 -1.25 -0.18 119.66 124.70 1iby s GLN 70 Ca 0.12 -1.05 0.08 0.00 0.05 0.00 0.00 55.36 54.57 1iby s GLN 70 Cb -0.16 -0.61 -0.04 0.00 1.10 0.00 0.00 33.01 33.29 1iby s GLN 70 CO 0.11 -1.26 0.01 -1.21 -0.55 0.00 0.00 175.29 172.39 1iby s GLU 71 N 1.13 2.37 -0.11 1.67 0.41 -0.20 -4.97 118.70 119.00 1iby s GLU 71 Ca 0.22 -1.24 0.01 0.00 -0.41 0.00 0.00 54.97 53.55 1iby s GLU 71 Cb -0.08 -2.28 0.02 0.00 -1.78 0.00 0.00 34.13 30.01 1iby s GLU 71 CO -0.06 0.41 -0.12 0.08 -0.49 0.00 0.00 175.26 175.08 1iby s VAL 72 N -2.00 1.32 -0.20 2.63 1.01 -1.26 -0.96 120.40 120.94 1iby s VAL 72 Ca 0.29 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 1iby s VAL 72 Cb -0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1iby s VAL 72 CO 0.19 0.41 0.02 -0.63 0.00 0.00 0.00 175.10 175.09 1iby s ILE 73 N 1.24 4.12 0.71 2.22 1.09 0.19 -4.92 121.20 125.85 1iby s ILE 73 Ca -0.02 -0.26 -0.15 0.00 -1.10 0.00 0.00 60.65 59.12 1iby s ILE 73 Cb -0.14 -2.87 0.03 0.00 -1.06 0.00 0.00 42.46 38.42 1iby s ILE 73 CO -0.04 0.42 1.17 -0.54 -0.10 0.00 0.00 174.94 175.85 1iby s LYS 74 N 1.00 2.33 0.18 2.79 1.02 -1.26 -0.48 119.74 125.31 1iby s LYS 74 Ca 0.02 1.63 -0.33 0.00 0.02 0.00 0.00 55.97 57.31 1iby s LYS 74 Cb -0.14 -1.87 -0.13 0.00 -0.52 0.00 0.00 37.83 35.16 1iby s LYS 74 CO 0.02 -1.66 1.61 0.00 -0.92 0.00 0.00 175.35 174.40 1iby n ALA 75 N -2.64 1.72 -0.02 5.17 0.00 -1.25 -1.03 120.51 122.45 1iby n ALA 75 Ca 0.12 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1iby n ALA 75 Cb 0.51 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1iby n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iby n GLY 76 N 3.48 2.84 3.89 0.00 0.00 0.36 -4.99 105.19 110.78 1iby n GLY 76 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 1iby n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1iby s GLU 77 N -0.04 3.66 -0.11 1.61 2.12 -0.20 -4.78 118.70 120.96 1iby s GLU 77 Ca 0.00 0.37 0.03 0.00 0.36 0.00 0.00 54.97 55.73 1iby s GLU 77 Cb 0.00 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 32.04 1iby s GLU 77 CO 0.00 -0.16 -0.21 0.99 -0.54 0.00 0.00 175.26 175.34 1iby s THR 78 N -2.60 1.92 -0.03 -1.70 2.01 -1.26 -0.67 115.64 113.30 1iby s THR 78 Ca 0.50 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.60 1iby s THR 78 Cb -0.10 -1.68 0.01 0.00 0.01 0.00 0.00 72.50 70.73 1iby s THR 78 CO 0.39 0.53 -0.09 -0.75 -0.69 0.00 0.00 174.62 174.01 1iby s LYS 79 N 0.57 1.06 -0.23 4.92 2.20 0.28 -4.96 119.74 123.58 1iby s LYS 79 Ca -0.14 -0.30 -0.18 0.00 -0.36 0.00 0.00 55.97 54.98 1iby s LYS 79 Cb -0.17 -0.97 -0.03 0.00 -1.51 0.00 0.00 37.83 35.15 1iby s LYS 79 CO 0.04 0.09 0.53 0.99 -0.36 0.00 0.00 175.35 176.64 1iby s THR 80 N 0.32 5.08 -0.22 3.43 2.01 -1.26 -0.56 115.64 124.45 1iby s THR 80 Ca -0.05 0.95 -0.08 0.00 0.31 0.00 0.00 61.69 62.82 1iby s THR 80 Cb -0.10 -3.85 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1iby s THR 80 CO 0.01 0.12 0.07 -0.63 -0.69 0.00 0.00 174.62 173.51 1iby s ILE 81 N 1.99 4.61 0.02 1.82 1.01 0.53 -4.92 121.20 126.27 1iby s ILE 81 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.82 1iby s ILE 81 Cb -0.15 -3.12 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 1iby s ILE 81 CO 0.09 0.39 -0.09 -0.55 0.00 0.00 0.00 174.94 174.79 1iby s SER 82 N 0.98 0.98 0.07 3.58 0.15 -1.26 0.35 113.70 118.55 1iby s SER 82 Ca 0.04 -0.33 -0.27 0.00 0.70 0.00 0.00 55.95 56.09 1iby s SER 82 Cb -0.14 -0.05 0.08 0.00 -1.71 0.00 0.00 66.02 64.21 1iby s SER 82 CO 0.03 -0.02 0.96 0.72 1.20 0.00 0.00 173.24 176.13 1iby s PHE 83 N -0.70 -0.21 -0.24 3.44 -0.71 -0.52 -5.00 117.98 114.03 1iby s PHE 83 Ca -0.02 -0.01 -0.10 0.00 -1.04 0.00 0.00 56.93 55.76 1iby s PHE 83 Cb -0.06 0.59 -0.05 0.00 -1.21 0.00 0.00 43.02 42.29 1iby s PHE 83 CO 0.00 -0.66 0.14 0.99 -1.34 0.00 0.00 175.22 174.35 1iby s THR 84 N -3.14 5.18 -1.32 -4.49 2.01 -1.26 0.29 115.64 112.91 1iby s THR 84 Ca 0.09 0.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.04 1iby s THR 84 Cb -0.01 -3.41 0.07 0.00 0.01 0.00 0.00 72.50 69.16 1iby s THR 84 CO -0.03 0.35 1.80 0.00 -0.69 0.00 0.00 174.62 176.05 1iby n ALA 85 N 4.37 3.85 1.73 7.40 0.00 -0.04 -4.71 120.51 133.11 1iby n ALA 85 Ca -0.15 -3.87 0.15 0.00 0.00 0.00 0.00 53.44 49.57 1iby n ALA 85 Cb 0.52 -3.58 0.73 0.00 0.00 0.00 0.00 19.45 17.11 1iby n ALA 85 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1iby n ASP 86 N 7.97 0.75 -3.96 0.00 3.85 -1.26 0.41 116.55 124.31 1iby n ASP 86 Ca 0.49 -1.22 -0.23 0.00 -0.71 0.00 0.00 54.79 53.11 1iby n ASP 86 Cb 0.45 -0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 40.05 1iby n ASP 86 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1iby s LYS 87 N -2.02 1.39 0.44 0.11 1.02 -1.26 -4.81 119.74 114.61 1iby s LYS 87 Ca 0.42 -0.29 -0.22 0.00 0.02 0.00 0.00 55.97 55.91 1iby s LYS 87 Cb 0.21 -1.25 -0.10 0.00 -0.52 0.00 0.00 37.83 36.18 1iby s LYS 87 CO 0.36 -0.05 1.00 0.00 -0.92 0.00 0.00 175.35 175.74 1iby s ALA 88 N 0.89 2.99 0.00 5.17 0.00 -1.26 -4.72 121.76 124.83 1iby s ALA 88 Ca -0.11 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1iby s ALA 88 Cb -0.15 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1iby s ALA 88 CO 0.01 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1iby n GLY 89 N -0.25 -0.09 3.03 0.00 0.00 0.04 -4.94 105.19 102.98 1iby n GLY 89 Ca 0.07 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 1iby n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iby s ALA 90 N -1.00 1.72 -0.07 4.61 0.00 -1.26 -0.61 121.76 125.15 1iby s ALA 90 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.20 1iby s ALA 90 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1iby s ALA 90 CO 0.00 -0.23 -0.14 -0.06 0.00 0.00 0.00 175.76 175.33 1iby s PHE 91 N 1.25 1.62 0.13 0.00 0.40 0.61 -4.96 117.98 117.02 1iby s PHE 91 Ca -0.01 -0.59 -0.31 0.00 -0.60 0.00 0.00 56.93 55.42 1iby s PHE 91 Cb -0.14 -1.15 -0.09 0.00 0.51 0.00 0.00 43.02 42.15 1iby s PHE 91 CO -0.06 -0.28 1.51 0.99 0.70 0.00 0.00 175.22 178.08 1iby s THR 92 N 0.55 2.95 -0.28 0.64 2.01 -1.26 0.32 115.64 120.57 1iby s THR 92 Ca -0.14 0.64 -0.13 0.00 0.31 0.00 0.00 61.69 62.37 1iby s THR 92 Cb -0.16 -3.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.90 1iby s THR 92 CO 0.04 0.04 0.27 -0.63 -0.69 0.00 0.00 174.62 173.65 1iby s ILE 93 N 1.38 5.25 0.14 1.82 1.01 -0.32 -4.38 121.20 126.10 1iby s ILE 93 Ca 0.68 0.33 -0.04 0.00 0.00 0.00 0.00 60.65 61.63 1iby s ILE 93 Cb -0.40 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1iby s ILE 93 CO 0.31 0.20 0.13 -1.66 0.00 0.00 0.00 174.94 173.92 1iby s TRP 94 N 1.89 0.68 -0.29 3.97 1.48 -0.16 0.26 118.94 126.78 1iby s TRP 94 Ca 0.10 -1.06 -0.11 0.00 -1.06 0.00 0.00 56.10 53.97 1iby s TRP 94 Cb -0.16 -0.33 -0.04 0.00 -1.16 0.00 0.00 33.47 31.78 1iby s TRP 94 CO 0.11 -0.58 0.19 0.00 -4.06 0.00 0.00 176.95 172.60 1iby n GLN 96 N 5.05 0.29 -0.02 0.00 0.00 -1.26 -3.79 117.38 117.65 1iby n GLN 96 Ca -0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 57.00 56.75 1iby n GLN 96 Cb 0.51 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.11 1iby n GLN 96 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1iby n LEU 97 N -1.35 1.06 -4.39 2.61 4.77 -1.26 -4.99 117.00 113.46 1iby n LEU 97 Ca 0.12 0.37 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 1iby n LEU 97 Cb 0.28 0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 1iby n LEU 97 CO 0.25 0.45 -0.43 -1.00 -1.33 0.00 0.00 177.39 175.33 1iby s HIS 98 N -2.59 1.87 0.23 -1.77 3.76 -1.25 -5.08 115.29 110.46 1iby s HIS 98 Ca -0.07 -0.56 -0.32 0.00 -0.15 0.00 0.00 55.06 53.96 1iby s HIS 98 Cb 0.08 -0.91 -0.14 0.00 1.11 0.00 0.00 32.58 32.72 1iby s HIS 98 CO 0.82 0.41 1.39 -2.30 -0.85 0.00 0.00 174.74 174.20 1iby n PRO 99 N -0.47 1.94 0.32 8.40 -0.02 -1.26 -4.74 135.00 139.17 1iby n PRO 99 Ca -0.07 0.69 0.21 0.00 -2.02 0.00 0.00 63.50 62.31 1iby n PRO 99 Cb 0.61 -2.34 1.10 0.00 -0.02 0.00 0.00 33.50 32.85 1iby n PRO 99 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1iby h LYS 100 N 4.21 0.00 -0.34 -0.52 1.57 -1.87 0.43 116.57 120.05 1iby h LYS 100 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1iby h LYS 100 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1iby h LYS 100 CO 0.76 0.01 0.00 0.27 -0.57 0.00 0.00 179.45 179.91 1iby n ASN 101 N -3.17 2.63 -0.06 0.86 6.94 -1.26 -3.40 115.26 117.80 1iby n ASN 101 Ca -0.02 -1.89 -0.09 0.00 -0.02 0.00 0.00 54.58 52.55 1iby n ASN 101 Cb 0.11 -0.22 -0.03 0.00 -2.36 0.00 0.00 39.78 37.28 1iby n ASN 101 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1iby n ILE 102 N 0.95 1.34 -3.23 1.53 2.08 -0.03 -4.75 119.36 117.24 1iby n ILE 102 Ca 0.18 0.11 -0.46 0.00 0.56 0.00 0.00 62.75 63.14 1iby n ILE 102 Cb 0.46 -2.03 -0.04 0.00 -0.75 0.00 0.00 39.64 37.28 1iby n ILE 102 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1iby s HIS 103 N -2.56 3.34 0.33 1.39 2.46 -0.21 -0.98 115.29 119.05 1iby s HIS 103 Ca -0.21 -1.44 -0.29 0.00 0.47 0.00 0.00 55.06 53.59 1iby s HIS 103 Cb 0.04 -3.91 -0.11 0.00 -0.13 0.00 0.00 32.58 28.48 1iby s HIS 103 CO 0.30 -1.13 1.49 -0.51 -2.47 0.00 0.00 174.74 172.43 1iby s LEU 104 N 1.53 4.35 0.75 8.88 1.43 -0.80 -4.37 118.68 130.44 1iby s LEU 104 Ca 0.13 2.93 -0.11 0.00 -1.03 0.00 0.00 54.13 56.04 1iby s LEU 104 Cb -0.20 -3.65 0.04 0.00 0.03 0.00 0.00 46.19 42.41 1iby s LEU 104 CO -0.01 -0.82 1.10 -2.84 0.23 0.00 0.00 176.35 174.01 1iby s PRO 105 N -1.34 2.49 0.00 1.29 0.02 -1.26 -4.52 135.00 131.69 1iby s PRO 105 Ca 0.56 0.52 0.00 0.00 0.02 0.00 0.00 61.00 62.11 1iby s PRO 105 Cb -0.45 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.09 1iby s PRO 105 CO 0.55 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 1iby n GLY 106 N -2.63 6.44 3.14 0.52 0.00 0.14 -4.95 105.19 107.86 1iby n GLY 106 Ca 0.07 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 1iby n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1iby s THR 107 N 0.26 0.01 -0.25 2.61 2.01 -0.32 -1.17 115.64 118.78 1iby s THR 107 Ca 0.00 -0.09 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 1iby s THR 107 Cb 0.00 -0.37 -0.01 0.00 0.01 0.00 0.00 72.50 72.13 1iby s THR 107 CO 0.00 -0.05 0.04 -0.22 -0.69 0.00 0.00 174.62 173.70 1iby s LEU 108 N -0.09 3.39 -0.18 4.42 2.96 0.15 -0.62 118.68 128.72 1iby s LEU 108 Ca -0.02 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.42 1iby s LEU 108 Cb -0.02 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 1iby s LEU 108 CO 0.01 -0.08 -0.03 0.20 -1.32 0.00 0.00 176.35 175.13 1iby s ASN 109 N 1.53 4.69 -0.31 3.68 0.01 0.14 -0.28 114.94 124.39 1iby s ASN 109 Ca 0.05 -0.21 -0.03 0.00 -0.71 0.00 0.00 52.86 51.96 1iby s ASN 109 Cb -0.15 -1.78 0.05 0.00 0.41 0.00 0.00 41.25 39.77 1iby s ASN 109 CO 0.01 0.09 0.03 -0.69 -1.51 0.00 0.00 177.10 175.03 1iby s VAL 110 N 0.81 3.15 0.28 1.60 1.01 0.22 -0.30 120.40 127.18 1iby s VAL 110 Ca -0.01 -1.36 0.06 0.00 0.00 0.00 0.00 61.98 60.67 1iby s VAL 110 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 1iby s VAL 110 CO 0.02 -0.14 0.41 0.68 0.00 0.00 0.00 175.10 176.06 1iby s VAL 111 N 1.28 4.70 -2.00 2.92 -7.23 -0.09 -0.78 120.40 119.20 1iby s VAL 111 Ca -0.04 -0.99 0.13 0.00 -1.81 0.00 0.00 61.98 59.27 1iby s VAL 111 Cb -0.20 -3.65 0.37 0.00 0.56 0.00 0.00 36.38 33.47 1iby s VAL 111 CO -0.00 -0.25 1.21 -0.62 -0.31 0.00 0.00 175.10 175.12