#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 -1.83 -0.32 1.44 -1.26 -5.06 115.22 108.19 1iby n HIS 2 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 1iby n HIS 2 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 1iby n HIS 2 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1iby s ASN 3 N -1.00 4.97 0.38 4.39 2.20 -1.26 -4.67 114.94 119.95 1iby s ASN 3 Ca 0.00 2.26 0.04 0.00 -0.94 0.00 0.00 52.86 54.22 1iby s ASN 3 Cb 0.00 -2.58 -0.01 0.00 -2.00 0.00 0.00 41.25 36.66 1iby s ASN 3 CO 0.00 -1.74 0.55 -0.36 -2.94 0.00 0.00 177.10 172.61 1iby s PHE 4 N -1.89 3.18 -0.24 1.54 0.08 0.17 -4.93 117.98 115.89 1iby s PHE 4 Ca 0.74 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.78 1iby s PHE 4 Cb -0.27 -2.11 0.06 0.00 -0.57 0.00 0.00 43.02 40.13 1iby s PHE 4 CO 0.37 -0.14 -0.02 -0.80 -0.10 0.00 0.00 175.22 174.53 1iby s ASN 5 N -4.18 3.72 -0.18 1.36 0.01 -1.26 -0.72 114.94 113.68 1iby s ASN 5 Ca 0.46 -1.18 -0.01 0.00 -0.71 0.00 0.00 52.86 51.42 1iby s ASN 5 Cb -0.10 -1.06 -0.00 0.00 0.41 0.00 0.00 41.25 40.50 1iby s ASN 5 CO 0.34 -0.27 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.86 1iby s VAL 6 N 1.48 2.91 -0.18 1.60 1.01 -0.30 -4.11 120.40 122.82 1iby s VAL 6 Ca -0.03 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.22 1iby s VAL 6 Cb -0.18 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 1iby s VAL 6 CO -0.08 0.48 0.02 -0.69 0.00 0.00 0.00 175.10 174.84 1iby s VAL 7 N 1.08 4.36 -0.34 2.92 1.01 0.29 -0.90 120.40 128.82 1iby s VAL 7 Ca 0.00 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 61.65 1iby s VAL 7 Cb -0.15 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 1iby s VAL 7 CO -0.03 0.46 0.31 -0.63 0.00 0.00 0.00 175.10 175.21 1iby s ILE 8 N 0.54 5.22 0.02 2.22 1.01 0.47 -0.21 121.20 130.47 1iby s ILE 8 Ca 0.01 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.67 1iby s ILE 8 Cb -0.13 -3.77 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 1iby s ILE 8 CO 0.02 -0.05 -0.22 0.20 0.00 0.00 0.00 174.94 174.89 1iby s ASN 9 N 1.73 3.50 -0.02 3.58 -0.87 -0.19 0.12 114.94 122.79 1iby s ASN 9 Ca 0.09 -0.46 -0.02 0.00 -1.57 0.00 0.00 52.86 50.90 1iby s ASN 9 Cb -0.17 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.25 40.53 1iby s ASN 9 CO 0.11 0.28 0.13 0.00 -2.57 0.00 0.00 177.10 175.05 1iby s ALA 10 N -0.81 3.79 -0.08 0.60 0.00 -1.26 -0.14 121.76 123.85 1iby s ALA 10 Ca 0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1iby s ALA 10 Cb -0.10 -1.76 0.03 0.00 0.00 0.00 0.00 23.12 21.28 1iby s ALA 10 CO 0.03 0.71 -0.02 0.71 0.00 0.00 0.00 175.76 177.19 1iby s TYR 11 N -1.23 0.88 -0.47 0.00 1.51 0.21 -4.98 117.35 113.26 1iby s TYR 11 Ca 0.24 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.99 1iby s TYR 11 Cb -0.12 -0.91 0.12 0.00 -0.11 0.00 0.00 41.96 40.94 1iby s TYR 11 CO 0.15 -0.37 0.24 0.34 -1.11 0.00 0.00 175.55 174.80 1iby s ASP 12 N 1.89 4.95 -0.21 2.29 -1.08 -1.26 -0.86 116.67 122.39 1iby s ASP 12 Ca 0.05 -2.47 -0.04 0.00 -0.52 0.00 0.00 52.55 49.57 1iby s ASP 12 Cb -0.12 -1.75 -0.01 0.00 -1.46 0.00 0.00 42.92 39.57 1iby s ASP 12 CO -0.06 -0.40 -0.03 -0.89 0.52 0.00 0.00 175.17 174.31 1iby s THR 13 N 0.49 3.56 -0.16 1.71 2.01 0.11 -5.02 115.64 118.35 1iby s THR 13 Ca 0.13 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1iby s THR 13 Cb -0.22 -2.61 0.05 0.00 0.01 0.00 0.00 72.50 69.73 1iby s THR 13 CO -0.04 0.43 0.04 -0.89 -0.69 0.00 0.00 174.62 173.47 1iby s THR 14 N 1.25 0.36 -0.44 -0.82 2.01 -1.26 -0.40 115.64 116.34 1iby s THR 14 Ca 0.03 -0.30 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1iby s THR 14 Cb -0.14 -0.81 0.13 0.00 0.01 0.00 0.00 72.50 71.69 1iby s THR 14 CO -0.01 -0.10 0.23 -0.63 -0.69 0.00 0.00 174.62 173.42 1iby s ILE 15 N 1.94 1.52 0.26 1.82 1.01 0.16 -4.99 121.20 122.92 1iby s ILE 15 Ca 0.01 -2.56 -0.02 0.00 0.00 0.00 0.00 60.65 58.08 1iby s ILE 15 Cb -0.16 -2.07 0.24 0.00 0.01 0.00 0.00 42.46 40.48 1iby s ILE 15 CO -0.07 -0.87 1.74 -0.65 0.00 0.00 0.00 174.94 175.09 1iby h PRO 16 N 6.80 0.52 -2.34 2.79 0.11 -1.93 0.20 132.00 138.16 1iby h PRO 16 Ca -0.03 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 65.80 1iby h PRO 16 Cb 0.93 -0.12 -0.34 0.00 0.11 0.00 0.00 31.00 31.59 1iby h PRO 16 CO 0.50 0.34 -0.57 -2.00 -0.21 0.00 0.00 178.00 176.07 1iby s GLU 17 N -5.98 0.24 -0.13 1.05 2.12 -1.26 0.34 118.70 115.07 1iby s GLU 17 Ca -0.12 0.35 -0.18 0.00 0.36 0.00 0.00 54.97 55.38 1iby s GLU 17 Cb 0.22 -0.89 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 1iby s GLU 17 CO 0.77 -0.63 0.45 -1.17 -0.54 0.00 0.00 175.26 174.15 1iby s LEU 18 N 2.40 4.26 -0.34 2.70 2.96 0.31 -4.94 118.68 126.03 1iby s LEU 18 Ca 0.08 0.76 0.00 0.00 -0.22 0.00 0.00 54.13 54.75 1iby s LEU 18 Cb -0.15 -2.65 0.14 0.00 0.50 0.00 0.00 46.19 44.02 1iby s LEU 18 CO -0.13 -0.00 0.26 0.21 -1.32 0.00 0.00 176.35 175.36 1iby s ASN 19 N 0.66 2.39 -0.01 3.68 3.04 -1.25 -0.51 114.94 122.94 1iby s ASN 19 Ca 0.24 -1.73 -0.01 0.00 0.04 0.00 0.00 52.86 51.41 1iby s ASN 19 Cb -0.15 -0.01 -0.00 0.00 -1.54 0.00 0.00 41.25 39.55 1iby s ASN 19 CO 0.09 -0.32 0.03 0.68 -3.04 0.00 0.00 177.10 174.54 1iby s VAL 20 N 1.47 0.02 -1.59 -5.21 -7.23 -0.02 -4.87 120.40 102.98 1iby s VAL 20 Ca 0.15 -0.20 -0.15 0.00 -1.81 0.00 0.00 61.98 59.97 1iby s VAL 20 Cb -0.19 -0.11 0.11 0.00 0.56 0.00 0.00 36.38 36.75 1iby s VAL 20 CO -0.09 -0.11 0.94 -0.62 -0.31 0.00 0.00 175.10 174.90 1iby n GLU 21 N 2.71 -4.88 -0.96 4.82 1.02 -1.26 -0.51 120.64 121.59 1iby n GLU 21 Ca -0.15 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1iby n GLU 21 Cb 0.59 -5.39 0.00 0.00 -0.02 0.00 0.00 31.44 26.62 1iby n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iby n GLY 22 N -1.61 0.41 3.48 0.62 0.00 -1.26 -5.00 105.19 101.83 1iby n GLY 22 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.97 3.39 -0.11 1.61 1.01 0.34 -5.11 120.40 119.55 1iby s VAL 23 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.43 1iby s VAL 23 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1iby s VAL 23 CO 0.00 0.56 -0.18 0.42 0.00 0.00 0.00 175.10 175.90 1iby s THR 24 N -0.27 1.69 -0.03 3.92 -4.23 -1.25 -0.84 115.64 114.62 1iby s THR 24 Ca 0.03 -0.77 0.05 0.00 -1.18 0.00 0.00 61.69 59.82 1iby s THR 24 Cb -0.13 -1.51 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 1iby s THR 24 CO 0.03 0.48 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.71 1iby s VAL 25 N 0.82 1.49 0.19 2.29 1.01 0.33 -4.96 120.40 121.57 1iby s VAL 25 Ca -0.09 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 61.21 1iby s VAL 25 Cb -0.16 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1iby s VAL 25 CO 0.00 0.42 -0.08 -1.59 0.00 0.00 0.00 175.10 173.86 1iby s LYS 26 N -0.16 2.10 -1.28 2.72 -2.85 -1.26 0.11 119.74 119.12 1iby s LYS 26 Ca 0.00 -1.28 -0.08 0.00 -1.00 0.00 0.00 55.97 53.61 1iby s LYS 26 Cb -0.10 -2.17 -0.00 0.00 -2.06 0.00 0.00 37.83 33.50 1iby s LYS 26 CO 0.01 0.43 0.62 0.09 0.10 0.00 0.00 175.35 176.59 1iby n ASN 27 N -0.08 -2.43 -4.70 0.03 3.02 0.15 -4.95 115.26 106.30 1iby n ASN 27 Ca -0.10 -0.98 -0.39 0.00 -0.03 0.00 0.00 54.58 53.08 1iby n ASN 27 Cb 0.56 -3.36 -0.05 0.00 -0.61 0.00 0.00 39.78 36.32 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 -3.71 5.06 -0.22 2.41 1.01 0.06 -4.96 121.20 120.84 1iby s ILE 28 Ca 0.19 1.27 -0.05 0.00 0.00 0.00 0.00 60.65 62.06 1iby s ILE 28 Cb -0.07 -3.97 0.11 0.00 0.01 0.00 0.00 42.46 38.55 1iby s ILE 28 CO 0.86 0.22 0.43 -0.60 0.00 0.00 0.00 174.94 175.85 1iby s ARG 29 N 1.12 0.36 -0.09 2.79 3.00 -1.26 0.38 118.95 125.26 1iby s ARG 29 Ca 0.33 0.89 -0.04 0.00 -1.00 0.00 0.00 55.73 55.90 1iby s ARG 29 Cb -0.17 0.11 0.04 0.00 0.00 0.00 0.00 34.95 34.93 1iby s ARG 29 CO 0.14 -0.40 0.20 0.00 0.00 0.00 0.00 175.30 175.24 1iby s ALA 30 N 2.62 -0.43 -0.17 6.12 0.00 0.46 -5.01 121.76 125.35 1iby s ALA 30 Ca 0.04 0.84 0.01 0.00 0.00 0.00 0.00 51.96 52.85 1iby s ALA 30 Cb -0.13 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.47 1iby s ALA 30 CO -0.15 -0.17 -0.18 0.12 0.00 0.00 0.00 175.76 175.38 1iby s PHE 31 N 1.15 2.59 0.10 0.00 5.36 -1.26 -0.71 117.98 125.21 1iby s PHE 31 Ca -0.09 -1.53 -0.09 0.00 -0.96 0.00 0.00 56.93 54.27 1iby s PHE 31 Cb -0.10 -1.81 -0.00 0.00 -0.34 0.00 0.00 43.02 40.76 1iby s PHE 31 CO -0.07 -0.77 0.20 -0.80 -1.46 0.00 0.00 175.22 172.33 1iby s ASN 32 N 1.35 0.11 -0.08 6.13 0.01 -0.04 -4.75 114.94 117.68 1iby s ASN 32 Ca 0.05 -0.69 0.04 0.00 -0.71 0.00 0.00 52.86 51.54 1iby s ASN 32 Cb -0.13 0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.88 1iby s ASN 32 CO -0.12 -0.75 -0.21 -0.69 -1.51 0.00 0.00 177.10 173.82 1iby s VAL 33 N -3.88 1.77 0.06 1.60 1.01 -0.12 0.65 120.40 121.49 1iby s VAL 33 Ca 0.07 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1iby s VAL 33 Cb 0.05 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 1iby s VAL 33 CO -0.09 0.50 -0.21 -0.76 0.00 0.00 0.00 175.10 174.54 1iby s LEU 34 N 0.28 2.21 -0.20 3.92 1.43 0.80 -1.76 118.68 125.37 1iby s LEU 34 Ca -0.13 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.24 1iby s LEU 34 Cb -0.16 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1iby s LEU 34 CO 0.06 0.13 0.33 0.20 0.23 0.00 0.00 176.35 177.30 1iby s ASN 35 N -1.43 6.37 -0.24 2.29 -0.87 -1.26 -1.02 114.94 118.77 1iby s ASN 35 Ca 0.07 0.44 0.00 0.00 -1.57 0.00 0.00 52.86 51.80 1iby s ASN 35 Cb -0.09 -2.20 0.07 0.00 -0.02 0.00 0.00 41.25 39.01 1iby s ASN 35 CO 0.03 -0.01 -0.02 -1.61 -2.57 0.00 0.00 177.10 172.91 1iby s GLU 36 N 1.09 1.39 0.61 -0.60 2.02 0.71 -2.06 118.70 121.87 1iby s GLU 36 Ca 0.16 -0.97 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 1iby s GLU 36 Cb -0.14 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 1iby s GLU 36 CO 0.06 -0.66 1.03 -1.25 0.02 0.00 0.00 175.26 174.46 1iby s PRO 37 N 1.45 3.52 0.09 0.39 0.04 -1.26 -0.54 135.00 138.70 1iby s PRO 37 Ca -0.03 0.87 0.11 0.00 0.04 0.00 0.00 61.00 62.00 1iby s PRO 37 Cb -0.18 -2.07 -0.16 0.00 0.04 0.00 0.00 34.50 32.12 1iby s PRO 37 CO -0.08 -0.63 1.08 0.93 0.04 0.00 0.00 177.00 178.34 1iby h GLU 38 N -0.06 0.00 -5.56 4.56 5.08 -1.81 -3.46 114.58 113.33 1iby h GLU 38 Ca -0.45 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 1iby h GLU 38 Cb 1.20 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 1iby h GLU 38 CO 0.60 0.68 -0.69 0.99 -1.00 0.00 0.00 179.01 179.60 1iby s THR 39 N -2.75 3.70 -0.10 1.13 2.01 -1.26 -1.06 115.64 117.31 1iby s THR 39 Ca -0.01 -0.44 0.03 0.00 0.31 0.00 0.00 61.69 61.58 1iby s THR 39 Cb 0.09 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1iby s THR 39 CO 0.81 0.53 -0.19 -0.76 -0.69 0.00 0.00 174.62 174.32 1iby s LEU 40 N -0.01 1.89 -0.13 4.42 1.43 0.33 -4.96 118.68 121.65 1iby s LEU 40 Ca -0.00 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1iby s LEU 40 Cb -0.13 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.91 1iby s LEU 40 CO 0.03 0.09 -0.22 -0.69 0.23 0.00 0.00 176.35 175.78 1iby s VAL 41 N 0.61 2.05 0.26 -1.59 1.01 -1.26 0.52 120.40 122.02 1iby s VAL 41 Ca -0.14 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.87 1iby s VAL 41 Cb -0.16 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1iby s VAL 41 CO 0.04 0.55 0.15 0.68 0.00 0.00 0.00 175.10 176.52 1iby s VAL 42 N 0.70 0.25 0.01 2.92 -7.23 0.10 -4.96 120.40 112.19 1iby s VAL 42 Ca -0.10 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.05 1iby s VAL 42 Cb -0.16 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1iby s VAL 42 CO 0.01 0.00 0.19 -0.54 -0.31 0.00 0.00 175.10 174.45 1iby s LYS 43 N -3.94 3.43 0.26 4.82 3.01 -1.26 -0.68 119.74 125.39 1iby s LYS 43 Ca 0.38 -0.36 -0.31 0.00 -1.01 0.00 0.00 55.97 54.67 1iby s LYS 43 Cb 0.06 -3.07 -0.13 0.00 -1.01 0.00 0.00 37.83 33.68 1iby s LYS 43 CO 0.16 0.65 1.42 1.17 0.51 0.00 0.00 175.35 179.26 1iby n LYS 44 N 0.73 2.15 0.00 1.68 4.81 0.52 -0.82 118.16 127.23 1iby n LYS 44 Ca -0.09 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1iby n LYS 44 Cb 0.52 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 1.99 2.11 3.77 3.14 0.00 0.20 -4.99 105.19 111.41 1iby n GLY 45 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.94 6.24 -0.22 1.61 1.01 0.00 -4.73 116.67 118.65 1iby s ASP 46 Ca 0.00 2.76 -0.24 0.00 0.71 0.00 0.00 52.55 55.78 1iby s ASP 46 Cb 0.00 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1iby s ASP 46 CO 0.00 -0.91 0.79 0.00 0.21 0.00 0.00 175.17 175.26 1iby s ALA 47 N -1.22 3.60 -0.15 5.23 0.00 -1.26 -1.57 121.76 126.39 1iby s ALA 47 Ca 0.57 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 52.33 1iby s ALA 47 Cb -0.40 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1iby s ALA 47 CO 0.52 -0.80 0.06 0.08 0.00 0.00 0.00 175.76 175.63 1iby s VAL 48 N 2.52 4.82 -0.12 0.00 1.01 0.18 -4.97 120.40 123.84 1iby s VAL 48 Ca 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 1iby s VAL 48 Cb -0.16 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.13 1iby s VAL 48 CO 0.09 0.53 -0.04 -0.75 0.00 0.00 0.00 175.10 174.93 1iby s LYS 49 N -0.23 1.14 -0.22 2.72 2.20 -1.26 -1.28 119.74 122.81 1iby s LYS 49 Ca 0.08 -0.20 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 1iby s LYS 49 Cb -0.12 -1.51 0.03 0.00 -1.51 0.00 0.00 37.83 34.72 1iby s LYS 49 CO 0.01 -0.34 -0.14 0.08 -0.36 0.00 0.00 175.35 174.60 1iby s VAL 50 N 1.79 2.31 -0.47 4.02 1.01 0.18 0.46 120.40 129.71 1iby s VAL 50 Ca 0.04 -1.12 -0.23 0.00 0.00 0.00 0.00 61.98 60.66 1iby s VAL 50 Cb -0.13 -2.12 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1iby s VAL 50 CO -0.07 0.31 0.80 -0.69 0.00 0.00 0.00 175.10 175.45 1iby s VAL 51 N 1.26 4.62 -0.35 2.92 1.01 0.10 0.09 120.40 130.05 1iby s VAL 51 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 61.98 62.17 1iby s VAL 51 Cb -0.16 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 1iby s VAL 51 CO -0.09 -0.80 0.24 -0.69 0.00 0.00 0.00 175.10 173.77 1iby s VAL 52 N 3.34 5.13 -0.34 2.92 1.01 0.12 -1.15 120.40 131.44 1iby s VAL 52 Ca 0.28 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1iby s VAL 52 Cb -0.13 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 1iby s VAL 52 CO 0.21 -0.09 0.21 -1.61 0.00 0.00 0.00 175.10 173.83 1iby s GLU 53 N 1.68 3.36 -0.48 2.72 2.02 -0.07 -0.81 118.70 127.12 1iby s GLU 53 Ca 0.05 -0.72 -0.22 0.00 0.02 0.00 0.00 54.97 54.10 1iby s GLU 53 Cb -0.18 -3.73 0.04 0.00 0.10 0.00 0.00 34.13 30.36 1iby s GLU 53 CO 0.09 -0.47 0.76 1.21 0.02 0.00 0.00 175.26 176.88 1iby s ASN 54 N 1.67 6.34 0.00 -0.19 3.04 0.19 -0.39 114.94 125.60 1iby s ASN 54 Ca 0.05 -0.39 0.24 0.00 0.04 0.00 0.00 52.86 52.81 1iby s ASN 54 Cb -0.17 -2.36 0.30 0.00 -1.54 0.00 0.00 41.25 37.47 1iby s ASN 54 CO 0.09 -0.96 1.32 0.29 -3.04 0.00 0.00 177.10 174.79 1iby n LYS 55 N 6.70 2.05 -2.22 0.43 4.76 0.12 -0.90 118.16 129.10 1iby n LYS 55 Ca -0.00 -1.63 -0.36 0.00 -2.87 0.00 0.00 58.31 53.44 1iby n LYS 55 Cb 0.47 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1iby n LYS 55 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1iby s SER 56 N -2.08 5.84 0.00 4.39 0.15 -1.05 -4.61 113.70 116.35 1iby s SER 56 Ca 0.28 2.27 0.19 0.00 0.70 0.00 0.00 55.95 59.39 1iby s SER 56 Cb 0.20 -2.59 1.03 0.00 -1.71 0.00 0.00 66.02 62.95 1iby s SER 56 CO 0.35 -1.14 1.54 -0.81 1.20 0.00 0.00 173.24 174.38 1iby n PRO 57 N -0.98 0.43 -4.31 5.44 -0.04 -1.26 -3.50 135.00 130.78 1iby n PRO 57 Ca 0.10 0.06 -0.17 0.00 -0.04 0.00 0.00 63.50 63.44 1iby n PRO 57 Cb 0.49 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.28 0.31 0.40 0.52 -4.36 -1.26 -4.82 121.20 109.71 1iby s ILE 58 Ca 0.23 -2.00 -0.27 0.00 -0.26 0.00 0.00 60.65 58.35 1iby s ILE 58 Cb 0.13 -2.54 -0.10 0.00 1.25 0.00 0.00 42.46 41.20 1iby s ILE 58 CO 0.25 0.00 1.46 -1.20 0.24 0.00 0.00 174.94 175.69 1iby n SER 59 N -0.75 3.57 -4.25 4.36 7.64 -1.26 -3.86 113.62 119.06 1iby n SER 59 Ca 0.01 1.19 -0.22 0.00 1.01 0.00 0.00 58.87 60.86 1iby n SER 59 Cb 0.65 -1.61 -0.12 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 -2.20 1.04 0.12 1.43 0.41 -0.15 -4.92 118.70 114.43 1iby s GLU 60 Ca 0.56 -1.11 0.03 0.00 -0.41 0.00 0.00 54.97 54.04 1iby s GLU 60 Cb -0.47 -1.23 -0.04 0.00 -1.78 0.00 0.00 34.13 30.61 1iby s GLU 60 CO 0.62 0.28 0.17 0.20 -0.49 0.00 0.00 175.26 176.04 1iby s GLY 61 N -1.88 1.89 -0.23 -1.39 0.00 -1.26 0.37 107.32 104.82 1iby s GLY 61 Ca 0.04 -1.05 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 1iby s GLY 61 CO 0.04 -1.04 0.20 -0.12 0.00 0.00 0.00 173.10 172.17 1iby s PHE 62 N -1.60 -0.13 0.04 1.90 5.36 -0.12 -4.16 117.98 119.26 1iby s PHE 62 Ca 0.32 -0.15 0.05 0.00 -0.96 0.00 0.00 56.93 56.19 1iby s PHE 62 Cb -0.11 -0.54 -0.02 0.00 -0.34 0.00 0.00 43.02 42.01 1iby s PHE 62 CO 0.25 -0.70 -0.15 -1.12 -1.46 0.00 0.00 175.22 172.04 1iby s SER 63 N 2.26 1.78 -0.35 6.13 0.01 0.17 -0.75 113.70 122.95 1iby s SER 63 Ca 0.07 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.89 1iby s SER 63 Cb -0.15 -0.13 0.15 0.00 0.21 0.00 0.00 66.02 66.09 1iby s SER 63 CO -0.20 0.06 0.31 -0.63 0.41 0.00 0.00 173.24 173.18 1iby s ILE 64 N -0.80 -0.20 0.20 1.44 1.01 0.10 -1.09 121.20 121.86 1iby s ILE 64 Ca 0.03 -1.09 -0.16 0.00 0.00 0.00 0.00 60.65 59.42 1iby s ILE 64 Cb -0.08 -0.85 0.19 0.00 0.01 0.00 0.00 42.46 41.73 1iby s ILE 64 CO 0.01 -0.68 1.62 0.44 0.00 0.00 0.00 174.94 176.32 1iby h ASP 65 N 7.31 -0.74 -0.88 3.58 5.19 -1.78 -1.85 116.42 127.25 1iby h ASP 65 Ca 0.01 0.19 0.25 0.00 -0.62 0.00 0.00 57.03 56.87 1iby h ASP 65 Cb 1.03 0.43 -0.04 0.00 0.18 0.00 0.00 39.33 40.94 1iby h ASP 65 CO 0.25 -0.24 0.71 0.00 -3.12 0.00 0.00 179.24 176.85 1iby h ALA 66 N 1.41 2.76 -0.04 3.45 0.00 -1.93 -0.85 119.26 124.06 1iby h ALA 66 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1iby h ALA 66 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1iby h ALA 66 CO -0.64 -1.17 -0.27 1.19 0.00 0.00 0.00 179.25 178.36 1iby n PHE 67 N -3.99 0.12 -2.31 0.00 3.01 -0.88 -4.97 117.46 108.44 1iby n PHE 67 Ca 0.18 -1.31 -0.19 0.00 1.01 0.00 0.00 57.45 57.14 1iby n PHE 67 Cb 1.02 -0.24 -0.02 0.00 -0.01 0.00 0.00 39.48 40.24 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 -1.21 -0.22 3.61 1.37 0.00 -0.32 -4.95 105.19 103.46 1iby n GLY 68 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.90 5.09 -0.40 1.61 1.01 -0.75 -4.97 120.40 119.09 1iby s VAL 69 Ca 0.00 0.73 0.05 0.00 0.00 0.00 0.00 61.98 62.76 1iby s VAL 69 Cb 0.00 -3.81 0.16 0.00 0.00 0.00 0.00 36.38 32.73 1iby s VAL 69 CO 0.00 0.06 0.46 -1.58 0.00 0.00 0.00 175.10 174.04 1iby s GLN 70 N 2.26 0.74 0.20 2.72 0.74 -1.25 0.01 119.66 125.08 1iby s GLN 70 Ca 0.19 -0.87 0.10 0.00 0.05 0.00 0.00 55.36 54.83 1iby s GLN 70 Cb -0.16 -0.56 -0.04 0.00 1.10 0.00 0.00 33.01 33.35 1iby s GLN 70 CO 0.10 -1.22 -0.11 -1.21 -0.55 0.00 0.00 175.29 172.30 1iby s GLU 71 N 1.35 1.99 -0.15 1.67 0.41 0.07 -4.98 118.70 119.06 1iby s GLU 71 Ca 0.19 -1.36 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1iby s GLU 71 Cb -0.10 -2.09 0.02 0.00 -1.78 0.00 0.00 34.13 30.18 1iby s GLU 71 CO -0.05 0.41 -0.14 0.08 -0.49 0.00 0.00 175.26 175.08 1iby s VAL 72 N -1.84 1.55 -0.25 2.63 1.01 -1.26 -0.94 120.40 121.29 1iby s VAL 72 Ca 0.26 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1iby s VAL 72 Cb -0.08 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1iby s VAL 72 CO 0.15 0.45 0.13 -0.63 0.00 0.00 0.00 175.10 175.21 1iby s ILE 73 N 1.48 4.99 0.67 2.22 1.09 0.16 -4.91 121.20 126.90 1iby s ILE 73 Ca 0.05 0.06 -0.17 0.00 -1.10 0.00 0.00 60.65 59.48 1iby s ILE 73 Cb -0.13 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.94 1iby s ILE 73 CO -0.10 0.33 1.26 -0.54 -0.10 0.00 0.00 174.94 175.79 1iby s LYS 74 N 1.32 2.44 0.26 2.79 1.02 -1.26 -0.98 119.74 125.32 1iby s LYS 74 Ca 0.06 1.97 -0.30 0.00 0.02 0.00 0.00 55.97 57.72 1iby s LYS 74 Cb -0.15 -1.84 -0.13 0.00 -0.52 0.00 0.00 37.83 35.19 1iby s LYS 74 CO 0.06 -1.66 1.32 0.00 -0.92 0.00 0.00 175.35 174.14 1iby n ALA 75 N -2.14 0.80 -0.94 5.17 0.00 -1.25 -1.35 120.51 120.80 1iby n ALA 75 Ca 0.15 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1iby n ALA 75 Cb 0.49 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 1.77 0.19 3.80 0.00 0.00 -0.08 -4.98 105.19 105.90 1iby n GLY 76 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1iby n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iby s GLU 77 N -1.23 2.41 -0.04 1.61 2.02 -0.45 -4.87 118.70 118.15 1iby s GLU 77 Ca 0.00 -1.62 0.06 0.00 0.02 0.00 0.00 54.97 53.43 1iby s GLU 77 Cb 0.00 -2.21 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 1iby s GLU 77 CO 0.00 -0.08 -0.24 0.99 0.02 0.00 0.00 175.26 175.95 1iby s THR 78 N -2.49 1.94 -0.04 3.63 2.01 -1.26 -0.63 115.64 118.79 1iby s THR 78 Ca 0.43 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1iby s THR 78 Cb -0.01 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.89 1iby s THR 78 CO 0.25 0.54 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.94 1iby s LYS 79 N -0.29 0.75 -0.24 4.92 2.20 0.01 -4.97 119.74 122.11 1iby s LYS 79 Ca 0.01 -0.08 -0.17 0.00 -0.36 0.00 0.00 55.97 55.38 1iby s LYS 79 Cb -0.12 -0.79 -0.03 0.00 -1.51 0.00 0.00 37.83 35.38 1iby s LYS 79 CO 0.02 -0.09 0.45 0.95 -0.36 0.00 0.00 175.35 176.32 1iby s THR 80 N 0.94 5.13 -0.21 3.43 -4.23 -1.26 -0.71 115.64 118.73 1iby s THR 80 Ca -0.11 0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 61.11 1iby s THR 80 Cb -0.14 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.90 1iby s THR 80 CO -0.00 0.15 0.04 -0.63 -0.54 0.00 0.00 174.62 173.63 1iby s ILE 81 N 1.96 4.24 -0.01 2.99 1.01 0.11 -4.92 121.20 126.58 1iby s ILE 81 Ca 0.19 -0.21 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1iby s ILE 81 Cb -0.15 -2.94 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 1iby s ILE 81 CO 0.09 0.40 -0.17 -0.94 0.00 0.00 0.00 174.94 174.32 1iby s SER 82 N 1.09 2.03 0.10 3.58 1.04 -1.26 0.48 113.70 120.76 1iby s SER 82 Ca 0.03 -0.31 -0.26 0.00 0.48 0.00 0.00 55.95 55.89 1iby s SER 82 Cb -0.14 -0.23 0.08 0.00 0.10 0.00 0.00 66.02 65.82 1iby s SER 82 CO 0.02 0.21 0.89 0.72 0.98 0.00 0.00 173.24 176.06 1iby s PHE 83 N -0.40 -0.25 -0.23 5.02 -0.71 -0.41 -5.00 117.98 116.00 1iby s PHE 83 Ca 0.07 0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 55.89 1iby s PHE 83 Cb -0.07 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 1iby s PHE 83 CO -0.01 -0.75 0.09 0.99 -1.34 0.00 0.00 175.22 174.21 1iby s THR 84 N -3.30 4.66 -1.30 -4.49 2.01 -1.26 0.49 115.64 112.45 1iby s THR 84 Ca 0.08 -0.06 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 1iby s THR 84 Cb -0.01 -3.16 0.02 0.00 0.01 0.00 0.00 72.50 69.36 1iby s THR 84 CO -0.03 0.36 1.94 0.00 -0.69 0.00 0.00 174.62 176.21 1iby n ALA 85 N 4.46 4.03 1.58 7.40 0.00 -0.61 -4.69 120.51 132.68 1iby n ALA 85 Ca -0.16 -3.73 0.07 0.00 0.00 0.00 0.00 53.44 49.63 1iby n ALA 85 Cb 0.52 -3.57 0.33 0.00 0.00 0.00 0.00 19.45 16.73 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 8.17 0.82 -3.86 0.00 5.75 -1.26 0.61 116.55 126.78 1iby n ASP 86 Ca 0.50 -1.71 -0.19 0.00 -0.01 0.00 0.00 54.79 53.37 1iby n ASP 86 Cb 0.43 -0.07 -0.16 0.00 -1.03 0.00 0.00 41.12 40.29 1iby n ASP 86 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1iby s LYS 87 N -1.86 0.66 0.46 0.11 1.02 -1.26 -4.80 119.74 114.07 1iby s LYS 87 Ca 0.23 -0.03 -0.20 0.00 0.02 0.00 0.00 55.97 55.99 1iby s LYS 87 Cb 0.12 -0.76 -0.10 0.00 -0.52 0.00 0.00 37.83 36.58 1iby s LYS 87 CO 0.18 -0.12 0.99 0.00 -0.92 0.00 0.00 175.35 175.48 1iby s ALA 88 N 1.06 2.96 0.00 5.17 0.00 -1.26 -4.74 121.76 124.95 1iby s ALA 88 Ca -0.09 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.36 1iby s ALA 88 Cb -0.14 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1iby s ALA 88 CO -0.01 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.06 1iby n GLY 89 N -0.49 0.61 3.08 0.00 0.00 0.04 -4.95 105.19 103.49 1iby n GLY 89 Ca 0.08 -1.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 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 2.04 -0.06 4.61 0.00 -1.26 -0.59 121.76 125.51 1iby s ALA 90 Ca 0.00 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 51.00 1iby s ALA 90 Cb 0.00 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.08 1iby s ALA 90 CO 0.00 -0.25 -0.19 -0.06 0.00 0.00 0.00 175.76 175.26 1iby s PHE 91 N 1.21 1.91 0.15 0.00 0.40 0.56 -4.96 117.98 117.25 1iby s PHE 91 Ca 0.01 -0.61 -0.31 0.00 -0.60 0.00 0.00 56.93 55.41 1iby s PHE 91 Cb -0.14 -1.29 -0.08 0.00 0.51 0.00 0.00 43.02 42.02 1iby s PHE 91 CO -0.08 -0.23 1.39 0.99 0.70 0.00 0.00 175.22 177.99 1iby s THR 92 N 0.14 3.18 -0.33 0.64 2.01 -1.26 0.43 115.64 120.45 1iby s THR 92 Ca -0.08 0.89 -0.12 0.00 0.31 0.00 0.00 61.69 62.69 1iby s THR 92 Cb -0.13 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1iby s THR 92 CO 0.04 0.09 0.21 -0.63 -0.69 0.00 0.00 174.62 173.64 1iby s ILE 93 N 0.77 5.10 0.14 1.82 1.01 -0.29 -4.35 121.20 125.40 1iby s ILE 93 Ca 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 1iby s ILE 93 Cb -0.38 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 1iby s ILE 93 CO 0.33 0.03 0.05 -1.66 0.00 0.00 0.00 174.94 173.70 1iby s TRP 94 N 1.70 0.94 -0.30 3.97 1.48 -0.25 0.36 118.94 126.84 1iby s TRP 94 Ca 0.06 -1.21 -0.11 0.00 -1.06 0.00 0.00 56.10 53.77 1iby s TRP 94 Cb -0.17 -0.52 -0.03 0.00 -1.16 0.00 0.00 33.47 31.58 1iby s TRP 94 CO 0.09 -0.48 0.20 0.00 -4.06 0.00 0.00 176.95 172.71 1iby n GLN 96 N 5.07 0.05 0.00 0.00 0.00 -1.26 -3.78 117.38 117.46 1iby n GLN 96 Ca -0.14 0.09 -0.09 0.00 0.00 0.00 0.00 57.00 56.86 1iby n GLN 96 Cb 0.51 -1.56 -0.14 0.00 0.00 0.00 0.00 30.24 29.05 1iby n GLN 96 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1iby h LEU 97 N 0.00 0.04 -9.00 2.61 3.38 -1.92 -3.48 115.31 106.93 1iby h LEU 97 Ca 0.00 -0.07 -0.49 0.00 0.09 0.00 0.00 57.88 57.42 1iby h LEU 97 Cb 0.49 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.09 1iby h LEU 97 CO 0.00 1.06 -0.73 -1.00 0.09 0.00 0.00 178.44 177.86 1iby s HIS 98 N -2.62 1.86 0.24 1.13 3.76 -1.25 -5.08 115.29 113.33 1iby s HIS 98 Ca -0.04 -0.56 -0.31 0.00 -0.15 0.00 0.00 55.06 54.00 1iby s HIS 98 Cb 0.08 -0.90 -0.13 0.00 1.11 0.00 0.00 32.58 32.74 1iby s HIS 98 CO 0.82 0.40 1.47 -2.30 -0.85 0.00 0.00 174.74 174.29 1iby n PRO 99 N -0.47 2.20 0.30 8.40 -0.02 -1.26 -4.74 135.00 139.41 1iby n PRO 99 Ca -0.07 0.78 0.20 0.00 -2.02 0.00 0.00 63.50 62.40 1iby n PRO 99 Cb 0.61 -2.48 1.06 0.00 -0.02 0.00 0.00 33.50 32.66 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 4.60 0.00 -0.44 -0.52 1.57 -1.86 0.29 116.57 120.21 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 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1iby h LYS 100 CO 0.78 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.93 1iby n ASN 101 N -2.93 2.92 -0.03 0.86 6.94 -1.26 -3.45 115.26 118.30 1iby n ASN 101 Ca -0.02 -1.94 -0.05 0.00 -0.02 0.00 0.00 54.58 52.54 1iby n ASN 101 Cb 0.09 -0.29 -0.02 0.00 -2.36 0.00 0.00 39.78 37.21 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 1.11 1.38 -3.15 1.53 2.08 -0.08 -4.76 119.36 117.47 1iby n ILE 102 Ca 0.19 0.25 -0.45 0.00 0.56 0.00 0.00 62.75 63.30 1iby n ILE 102 Cb 0.49 -2.03 -0.04 0.00 -0.75 0.00 0.00 39.64 37.32 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 -2.52 3.23 0.33 1.39 2.46 -0.20 -0.95 115.29 119.04 1iby s HIS 103 Ca -0.17 -1.33 -0.29 0.00 0.47 0.00 0.00 55.06 53.74 1iby s HIS 103 Cb 0.02 -4.00 -0.11 0.00 -0.13 0.00 0.00 32.58 28.36 1iby s HIS 103 CO 0.25 -1.23 1.50 -0.51 -2.47 0.00 0.00 174.74 172.28 1iby s LEU 104 N 1.96 4.34 0.69 8.88 1.43 -0.72 -4.35 118.68 130.91 1iby s LEU 104 Ca 0.16 2.94 -0.11 0.00 -1.03 0.00 0.00 54.13 56.10 1iby s LEU 104 Cb -0.17 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.40 1iby s LEU 104 CO -0.01 -0.84 1.06 -2.84 0.23 0.00 0.00 176.35 173.95 1iby s PRO 105 N -1.32 2.91 0.00 1.29 0.02 -1.25 -4.51 135.00 132.13 1iby s PRO 105 Ca 0.57 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1iby s PRO 105 Cb -0.46 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.08 1iby s PRO 105 CO 0.55 -1.12 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 1iby n GLY 106 N -1.88 6.35 3.02 0.52 0.00 0.16 -4.93 105.19 108.43 1iby n GLY 106 Ca 0.08 -1.98 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 0.05 -0.01 -0.28 2.61 2.01 -0.23 -1.14 115.64 118.66 1iby s THR 107 Ca 0.00 0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 1iby s THR 107 Cb 0.00 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.27 1iby s THR 107 CO 0.00 0.01 0.09 -0.22 -0.69 0.00 0.00 174.62 173.81 1iby s LEU 108 N 0.25 3.76 -0.22 4.42 2.96 0.17 -0.52 118.68 129.51 1iby s LEU 108 Ca -0.01 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.28 1iby s LEU 108 Cb -0.03 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 1iby s LEU 108 CO -0.01 -0.15 0.04 0.20 -1.32 0.00 0.00 176.35 175.11 1iby s ASN 109 N 1.55 5.07 -0.37 3.68 0.01 0.19 -0.32 114.94 124.74 1iby s ASN 109 Ca 0.04 -0.17 -0.04 0.00 -0.71 0.00 0.00 52.86 51.97 1iby s ASN 109 Cb -0.17 -1.89 0.08 0.00 0.41 0.00 0.00 41.25 39.68 1iby s ASN 109 CO 0.03 0.03 0.14 -0.69 -1.51 0.00 0.00 177.10 175.09 1iby s VAL 110 N 1.25 3.43 0.28 1.60 1.01 0.25 0.01 120.40 128.23 1iby s VAL 110 Ca 0.04 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 60.41 1iby s VAL 110 Cb -0.15 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1iby s VAL 110 CO 0.03 -0.41 0.49 0.68 0.00 0.00 0.00 175.10 175.89 1iby s VAL 111 N 1.26 5.12 -2.00 2.92 -7.23 0.15 -0.78 120.40 119.85 1iby s VAL 111 Ca 0.02 -0.33 0.20 0.00 -1.81 0.00 0.00 61.98 60.05 1iby s VAL 111 Cb -0.21 -3.79 0.57 0.00 0.56 0.00 0.00 36.38 33.50 1iby s VAL 111 CO -0.01 -0.37 1.58 -0.62 -0.31 0.00 0.00 175.10 175.37