#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 0.77 -1.51 -1.84 8.25 -1.26 -4.73 115.22 114.90 1iby n HIS 2 Ca 0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1iby n HIS 2 Cb 0.00 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.08 1iby n HIS 2 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1iby n ASN 3 N 15.29 0.00 -4.80 0.41 5.15 -1.26 -5.07 115.26 124.98 1iby n ASN 3 Ca 0.45 -0.82 -0.34 0.00 -0.60 0.00 0.00 54.58 53.27 1iby n ASN 3 Cb 0.39 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.57 1iby n ASN 3 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1iby s PHE 4 N -0.12 3.37 -0.21 1.20 0.08 0.74 -4.99 117.98 118.05 1iby s PHE 4 Ca 0.00 0.31 -0.00 0.00 0.12 0.00 0.00 56.93 57.36 1iby s PHE 4 Cb 0.00 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1iby s PHE 4 CO 0.00 0.59 -0.13 -0.80 -0.10 0.00 0.00 175.22 174.78 1iby s ASN 5 N -1.40 3.74 -0.07 1.36 0.01 -1.26 0.21 114.94 117.52 1iby s ASN 5 Ca 0.19 -0.76 0.03 0.00 -0.71 0.00 0.00 52.86 51.61 1iby s ASN 5 Cb -0.12 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 39.98 1iby s ASN 5 CO 0.10 -0.06 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.76 1iby s VAL 6 N 1.30 1.54 -0.13 1.60 1.01 -0.43 -4.24 120.40 121.05 1iby s VAL 6 Ca 0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1iby s VAL 6 Cb -0.15 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 1iby s VAL 6 CO -0.09 0.44 -0.13 -0.69 0.00 0.00 0.00 175.10 174.63 1iby s VAL 7 N 0.40 3.00 -0.32 2.92 1.01 0.12 -0.55 120.40 126.99 1iby s VAL 7 Ca -0.14 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 1iby s VAL 7 Cb -0.16 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1iby s VAL 7 CO 0.05 0.52 0.33 -0.63 0.00 0.00 0.00 175.10 175.37 1iby s ILE 8 N 0.38 5.20 0.05 2.22 1.01 0.19 -0.24 121.20 130.01 1iby s ILE 8 Ca -0.11 0.15 0.09 0.00 0.00 0.00 0.00 60.65 60.78 1iby s ILE 8 Cb -0.16 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 1iby s ILE 8 CO 0.06 0.02 -0.24 0.20 0.00 0.00 0.00 174.94 174.98 1iby s ASN 9 N 1.72 3.39 -0.05 3.58 0.01 -0.32 0.07 114.94 123.34 1iby s ASN 9 Ca 0.11 -0.55 -0.01 0.00 -0.71 0.00 0.00 52.86 51.71 1iby s ASN 9 Cb -0.16 -0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.07 1iby s ASN 9 CO 0.11 0.25 0.01 0.00 -1.51 0.00 0.00 177.10 175.96 1iby s ALA 10 N -0.86 3.32 -0.09 0.60 0.00 -1.26 -0.22 121.76 123.24 1iby s ALA 10 Ca 0.13 -0.86 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 1iby s ALA 10 Cb -0.10 -1.44 0.02 0.00 0.00 0.00 0.00 23.12 21.60 1iby s ALA 10 CO 0.03 0.62 -0.07 0.71 0.00 0.00 0.00 175.76 177.06 1iby s TYR 11 N -0.99 1.30 -0.71 0.00 1.51 0.15 -4.98 117.35 113.62 1iby s TYR 11 Ca 0.17 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1iby s TYR 11 Cb -0.11 -1.10 0.18 0.00 -0.11 0.00 0.00 41.96 40.81 1iby s TYR 11 CO 0.06 -0.42 0.53 0.34 -1.11 0.00 0.00 175.55 174.95 1iby s ASP 12 N 1.52 5.21 -0.26 2.29 -1.08 -1.26 -1.07 116.67 122.03 1iby s ASP 12 Ca 0.01 -3.43 -0.13 0.00 -0.52 0.00 0.00 52.55 48.47 1iby s ASP 12 Cb -0.13 -1.78 -0.04 0.00 -1.46 0.00 0.00 42.92 39.51 1iby s ASP 12 CO -0.05 -0.21 0.30 -0.89 0.52 0.00 0.00 175.17 174.84 1iby s THR 13 N -0.89 5.24 -0.10 1.71 2.01 0.33 -5.00 115.64 118.94 1iby s THR 13 Ca 0.22 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 1iby s THR 13 Cb -0.13 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.79 1iby s THR 13 CO -0.09 0.22 0.04 -0.89 -0.69 0.00 0.00 174.62 173.21 1iby s THR 14 N 1.72 0.21 -0.38 -0.82 2.01 -1.26 -0.05 115.64 117.06 1iby s THR 14 Ca 0.13 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.17 1iby s THR 14 Cb -0.15 -0.53 0.14 0.00 0.01 0.00 0.00 72.50 71.96 1iby s THR 14 CO 0.09 0.07 0.23 -0.63 -0.69 0.00 0.00 174.62 173.69 1iby s ILE 15 N 2.03 0.50 0.22 1.82 1.01 0.13 -4.99 121.20 121.92 1iby s ILE 15 Ca 0.03 -2.01 -0.09 0.00 0.00 0.00 0.00 60.65 58.58 1iby s ILE 15 Cb -0.14 -1.36 0.18 0.00 0.01 0.00 0.00 42.46 41.15 1iby s ILE 15 CO -0.06 -0.98 1.89 -0.65 0.00 0.00 0.00 174.94 175.14 1iby h PRO 16 N 6.84 1.07 -2.19 2.79 0.11 -1.92 0.22 132.00 138.91 1iby h PRO 16 Ca 0.06 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.05 1iby h PRO 16 Cb 0.95 -0.24 -0.22 0.00 0.11 0.00 0.00 31.00 31.60 1iby h PRO 16 CO 0.33 0.70 0.01 -2.00 -0.21 0.00 0.00 178.00 176.83 1iby s GLU 17 N -6.13 0.72 -0.22 1.05 2.12 -1.26 0.04 118.70 115.01 1iby s GLU 17 Ca -0.13 0.94 -0.19 0.00 0.36 0.00 0.00 54.97 55.95 1iby s GLU 17 Cb 0.16 0.30 0.06 0.00 0.26 0.00 0.00 34.13 34.90 1iby s GLU 17 CO 0.79 -0.10 0.57 -1.17 -0.54 0.00 0.00 175.26 174.81 1iby s LEU 18 N 0.64 -0.23 -0.21 2.70 0.20 -0.69 -5.01 118.68 116.08 1iby s LEU 18 Ca -0.02 1.16 0.02 0.00 0.69 0.00 0.00 54.13 55.98 1iby s LEU 18 Cb -0.05 1.96 0.03 0.00 -0.43 0.00 0.00 46.19 47.70 1iby s LEU 18 CO -0.04 -0.20 -0.17 0.21 -0.29 0.00 0.00 176.35 175.87 1iby s ASN 19 N 0.45 3.55 -0.06 3.68 3.84 -1.26 -0.47 114.94 124.68 1iby s ASN 19 Ca -0.01 -0.90 0.03 0.00 0.21 0.00 0.00 52.86 52.19 1iby s ASN 19 Cb -0.04 -1.48 0.01 0.00 -0.55 0.00 0.00 41.25 39.18 1iby s ASN 19 CO -0.01 -0.07 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.40 1iby s VAL 20 N 1.24 1.27 -1.63 -5.21 1.01 0.39 -4.78 120.40 112.68 1iby s VAL 20 Ca 0.00 -0.58 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1iby s VAL 20 Cb -0.15 -1.13 0.12 0.00 0.00 0.00 0.00 36.38 35.22 1iby s VAL 20 CO -0.10 0.38 0.79 -0.62 0.00 0.00 0.00 175.10 175.55 1iby n GLU 21 N 3.61 -3.71 -0.86 2.72 1.02 -1.26 -0.03 120.64 122.14 1iby n GLU 21 Ca -0.21 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1iby n GLU 21 Cb 0.52 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.82 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 -1.53 1.03 3.48 0.62 0.00 -1.26 -4.99 105.19 102.53 1iby n GLY 22 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.55 4.29 -0.20 1.61 1.01 0.96 -5.09 120.40 119.44 1iby s VAL 23 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 1iby s VAL 23 Cb 0.00 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 1iby s VAL 23 CO 0.00 0.39 0.12 -0.89 0.00 0.00 0.00 175.10 174.72 1iby s THR 24 N 1.21 5.33 0.03 3.92 2.01 -1.26 -0.46 115.64 126.42 1iby s THR 24 Ca 0.04 0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.28 1iby s THR 24 Cb -0.14 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 1iby s THR 24 CO 0.03 0.44 -0.21 0.68 -0.69 0.00 0.00 174.62 174.87 1iby s VAL 25 N 0.35 2.57 0.11 3.82 -7.23 0.38 -4.99 120.40 115.42 1iby s VAL 25 Ca 0.07 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1iby s VAL 25 Cb -0.11 -2.04 -0.04 0.00 0.56 0.00 0.00 36.38 34.74 1iby s VAL 25 CO -0.02 0.38 -0.05 -0.54 -0.31 0.00 0.00 175.10 174.57 1iby s LYS 26 N -1.27 0.88 -1.50 4.82 1.02 -1.26 -1.70 119.74 120.73 1iby s LYS 26 Ca 0.13 -1.37 -0.03 0.00 0.02 0.00 0.00 55.97 54.71 1iby s LYS 26 Cb -0.10 -0.18 0.03 0.00 -0.52 0.00 0.00 37.83 37.05 1iby s LYS 26 CO 0.03 -0.05 0.37 0.09 -0.92 0.00 0.00 175.35 174.88 1iby n ASN 27 N -0.08 -0.48 -4.74 2.83 5.03 0.11 -4.94 115.26 112.99 1iby n ASN 27 Ca -0.11 -1.08 -0.38 0.00 0.87 0.00 0.00 54.58 53.88 1iby n ASN 27 Cb 0.61 -2.61 -0.06 0.00 -1.02 0.00 0.00 39.78 36.70 1iby n ASN 27 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1iby s ILE 28 N -3.95 5.11 -0.27 2.41 1.01 0.06 -4.95 121.20 120.62 1iby s ILE 28 Ca 0.13 1.04 -0.00 0.00 0.00 0.00 0.00 60.65 61.82 1iby s ILE 28 Cb -0.07 -3.85 0.16 0.00 0.01 0.00 0.00 42.46 38.71 1iby s ILE 28 CO 0.93 0.36 0.48 -0.60 0.00 0.00 0.00 174.94 176.10 1iby s ARG 29 N 0.34 0.45 -0.05 2.79 3.00 -1.26 0.19 118.95 124.42 1iby s ARG 29 Ca 0.28 0.63 -0.02 0.00 -1.00 0.00 0.00 55.73 55.62 1iby s ARG 29 Cb -0.16 -0.03 0.04 0.00 0.00 0.00 0.00 34.95 34.80 1iby s ARG 29 CO 0.12 -0.74 0.10 0.00 0.00 0.00 0.00 175.30 174.78 1iby s ALA 30 N 2.68 -0.10 -0.15 6.12 0.00 0.93 -5.00 121.76 126.24 1iby s ALA 30 Ca 0.15 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.62 1iby s ALA 30 Cb -0.14 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1iby s ALA 30 CO -0.21 -0.19 -0.20 0.12 0.00 0.00 0.00 175.76 175.28 1iby s PHE 31 N 1.29 2.72 0.12 0.00 5.36 -1.26 -0.51 117.98 125.71 1iby s PHE 31 Ca -0.07 -1.29 -0.09 0.00 -0.96 0.00 0.00 56.93 54.51 1iby s PHE 31 Cb -0.12 -1.85 -0.00 0.00 -0.34 0.00 0.00 43.02 40.70 1iby s PHE 31 CO -0.05 -0.60 0.25 -0.80 -1.46 0.00 0.00 175.22 172.56 1iby s ASN 32 N 0.89 0.06 -0.05 6.13 0.01 -0.23 -4.80 114.94 116.96 1iby s ASN 32 Ca -0.05 -0.73 0.04 0.00 -0.71 0.00 0.00 52.86 51.42 1iby s ASN 32 Cb -0.15 0.39 -0.00 0.00 0.41 0.00 0.00 41.25 41.90 1iby s ASN 32 CO -0.03 -0.81 -0.18 -0.69 -1.51 0.00 0.00 177.10 173.88 1iby s VAL 33 N -3.90 1.49 0.05 1.60 1.01 -0.39 0.32 120.40 120.58 1iby s VAL 33 Ca 0.10 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.39 1iby s VAL 33 Cb 0.04 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 1iby s VAL 33 CO -0.06 0.43 -0.16 -0.76 0.00 0.00 0.00 175.10 174.55 1iby s LEU 34 N 0.05 2.20 -0.22 3.92 1.43 0.69 -2.18 118.68 124.58 1iby s LEU 34 Ca -0.05 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.37 1iby s LEU 34 Cb -0.12 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1iby s LEU 34 CO 0.03 0.05 0.45 0.20 0.23 0.00 0.00 176.35 177.30 1iby s ASN 35 N -1.30 6.45 -0.27 2.29 -0.87 -1.26 -1.17 114.94 118.81 1iby s ASN 35 Ca 0.03 0.53 0.02 0.00 -1.57 0.00 0.00 52.86 51.87 1iby s ASN 35 Cb -0.09 -2.25 0.07 0.00 -0.02 0.00 0.00 41.25 38.96 1iby s ASN 35 CO 0.02 -0.15 -0.06 -1.61 -2.57 0.00 0.00 177.10 172.72 1iby s GLU 36 N 1.65 1.91 0.72 -0.60 2.02 0.67 -2.10 118.70 122.97 1iby s GLU 36 Ca 0.20 -1.31 -0.11 0.00 0.02 0.00 0.00 54.97 53.76 1iby s GLU 36 Cb -0.15 -2.82 0.02 0.00 0.10 0.00 0.00 34.13 31.28 1iby s GLU 36 CO 0.09 -0.64 1.10 -1.25 0.02 0.00 0.00 175.26 174.58 1iby s PRO 37 N 1.17 2.77 0.13 0.39 0.04 -1.26 -0.70 135.00 137.54 1iby s PRO 37 Ca -0.05 0.45 0.19 0.00 0.04 0.00 0.00 61.00 61.63 1iby s PRO 37 Cb -0.19 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1iby s PRO 37 CO -0.06 -1.10 0.95 0.93 0.04 0.00 0.00 177.00 177.76 1iby h GLU 38 N -0.70 0.00 -5.51 4.56 5.08 -1.81 -3.46 114.58 112.74 1iby h GLU 38 Ca -0.45 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.25 1iby h GLU 38 Cb 1.26 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 30.27 1iby h GLU 38 CO 0.64 0.18 -0.73 0.99 -1.00 0.00 0.00 179.01 179.09 1iby s THR 39 N -3.09 3.37 -0.11 1.13 2.01 -1.26 -1.10 115.64 116.58 1iby s THR 39 Ca -0.02 -0.56 0.02 0.00 0.31 0.00 0.00 61.69 61.44 1iby s THR 39 Cb 0.09 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 70.19 1iby s THR 39 CO 0.80 0.53 -0.17 -0.76 -0.69 0.00 0.00 174.62 174.33 1iby s LEU 40 N 0.11 1.81 -0.14 4.42 1.43 0.01 -4.97 118.68 121.35 1iby s LEU 40 Ca -0.04 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1iby s LEU 40 Cb -0.14 -1.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.91 1iby s LEU 40 CO 0.04 0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.80 1iby s VAL 41 N 0.91 2.57 0.29 -1.59 1.01 -1.26 0.01 120.40 122.33 1iby s VAL 41 Ca -0.08 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1iby s VAL 41 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 1iby s VAL 41 CO -0.01 0.53 0.17 0.68 0.00 0.00 0.00 175.10 176.46 1iby s VAL 42 N 0.68 0.24 -0.08 2.92 -7.23 0.48 -4.97 120.40 112.45 1iby s VAL 42 Ca -0.08 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.05 1iby s VAL 42 Cb -0.16 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1iby s VAL 42 CO 0.02 0.00 0.10 -0.54 -0.31 0.00 0.00 175.10 174.37 1iby s LYS 43 N -3.84 3.25 0.16 4.82 -0.14 -1.26 -0.22 119.74 122.51 1iby s LYS 43 Ca 0.37 -0.28 -0.34 0.00 -1.36 0.00 0.00 55.97 54.36 1iby s LYS 43 Cb 0.05 -3.02 -0.15 0.00 -1.68 0.00 0.00 37.83 33.03 1iby s LYS 43 CO 0.18 0.73 1.35 1.17 -0.76 0.00 0.00 175.35 178.02 1iby n LYS 44 N 1.77 1.54 0.00 1.68 4.81 0.48 -2.13 118.16 126.31 1iby n LYS 44 Ca -0.17 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 1iby n LYS 44 Cb 0.54 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.41 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 2.49 2.96 3.77 3.14 0.00 0.21 -5.00 105.19 112.76 1iby n GLY 45 Ca 0.16 -0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1iby n GLY 45 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1iby s ASP 46 N 0.70 5.77 -0.35 1.61 3.84 -0.90 -4.67 116.67 122.65 1iby s ASP 46 Ca 0.00 2.27 -0.29 0.00 -0.00 0.00 0.00 52.55 54.53 1iby s ASP 46 Cb 0.00 -2.59 0.01 0.00 -1.38 0.00 0.00 42.92 38.96 1iby s ASP 46 CO 0.00 -1.19 1.20 0.00 -0.00 0.00 0.00 175.17 175.18 1iby s ALA 47 N -1.65 3.33 -0.02 2.11 0.00 -1.26 -2.99 121.76 121.28 1iby s ALA 47 Ca 0.71 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 52.36 1iby s ALA 47 Cb -0.27 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 1iby s ALA 47 CO 0.31 -1.84 0.61 0.08 0.00 0.00 0.00 175.76 174.92 1iby s VAL 48 N 4.25 4.93 -0.16 0.00 1.01 0.17 -4.96 120.40 125.64 1iby s VAL 48 Ca 0.51 1.27 -0.00 0.00 0.00 0.00 0.00 61.98 63.76 1iby s VAL 48 Cb -0.13 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.34 1iby s VAL 48 CO 0.23 0.39 -0.07 -0.75 0.00 0.00 0.00 175.10 174.91 1iby s LYS 49 N -0.03 1.58 -0.23 2.72 2.47 -1.26 -1.49 119.74 123.50 1iby s LYS 49 Ca 0.32 -0.49 0.02 0.00 -1.56 0.00 0.00 55.97 54.25 1iby s LYS 49 Cb -0.18 -1.96 0.04 0.00 -1.46 0.00 0.00 37.83 34.27 1iby s LYS 49 CO 0.17 -0.38 -0.14 0.08 0.16 0.00 0.00 175.35 175.24 1iby s VAL 50 N 1.62 2.21 -0.49 4.02 1.01 0.13 -0.18 120.40 128.71 1iby s VAL 50 Ca 0.02 -1.28 -0.21 0.00 0.00 0.00 0.00 61.98 60.51 1iby s VAL 50 Cb -0.14 -2.13 0.04 0.00 0.00 0.00 0.00 36.38 34.15 1iby s VAL 50 CO -0.08 0.23 0.69 -0.69 0.00 0.00 0.00 175.10 175.25 1iby s VAL 51 N 1.20 4.76 -0.35 2.92 1.01 0.13 0.82 120.40 130.90 1iby s VAL 51 Ca -0.02 -0.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.70 1iby s VAL 51 Cb -0.17 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 31.89 1iby s VAL 51 CO -0.08 -0.80 0.22 -0.69 0.00 0.00 0.00 175.10 173.75 1iby s VAL 52 N 2.96 4.99 -0.30 2.92 1.01 0.52 -1.32 120.40 131.17 1iby s VAL 52 Ca 0.21 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.62 1iby s VAL 52 Cb -0.16 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1iby s VAL 52 CO 0.16 -0.07 0.24 -0.70 0.00 0.00 0.00 175.10 174.73 1iby s GLU 53 N 1.66 3.79 -0.52 2.72 2.12 0.29 -0.69 118.70 128.07 1iby s GLU 53 Ca 0.05 -0.38 -0.21 0.00 0.36 0.00 0.00 54.97 54.79 1iby s GLU 53 Cb -0.18 -3.72 0.05 0.00 0.26 0.00 0.00 34.13 30.55 1iby s GLU 53 CO 0.09 -0.30 0.72 1.21 -0.54 0.00 0.00 175.26 176.44 1iby s ASN 54 N 1.73 6.26 0.00 -1.70 3.04 0.09 -0.64 114.94 123.72 1iby s ASN 54 Ca 0.08 -0.75 0.23 0.00 0.04 0.00 0.00 52.86 52.46 1iby s ASN 54 Cb -0.16 -2.34 0.49 0.00 -1.54 0.00 0.00 41.25 37.71 1iby s ASN 54 CO 0.11 -1.00 1.43 0.29 -3.04 0.00 0.00 177.10 174.89 1iby n LYS 55 N 6.57 2.31 -2.17 0.43 5.02 0.11 -0.31 118.16 130.13 1iby n LYS 55 Ca -0.04 -1.98 -0.34 0.00 -2.02 0.00 0.00 58.31 53.93 1iby n LYS 55 Cb 0.46 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.99 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 -1.52 5.73 0.33 4.39 0.15 -1.03 -4.57 113.70 117.18 1iby s SER 56 Ca 0.37 2.02 0.26 0.00 0.70 0.00 0.00 55.95 59.29 1iby s SER 56 Cb 0.21 -2.56 1.13 0.00 -1.71 0.00 0.00 66.02 63.09 1iby s SER 56 CO 0.30 -1.21 1.77 -0.65 1.20 0.00 0.00 173.24 174.66 1iby h PRO 57 N 0.87 0.00 -5.13 5.44 0.11 -1.94 -3.34 132.00 128.01 1iby h PRO 57 Ca -0.49 0.00 -0.43 0.00 0.11 0.00 0.00 66.00 65.19 1iby h PRO 57 Cb 1.24 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.21 1iby h PRO 57 CO 0.57 0.00 -0.62 0.96 -0.21 0.00 0.00 178.00 178.70 1iby s ILE 58 N -3.44 1.03 0.38 4.15 -4.36 -1.26 -4.75 121.20 112.95 1iby s ILE 58 Ca 0.02 -2.01 -0.27 0.00 -0.26 0.00 0.00 60.65 58.14 1iby s ILE 58 Cb 0.09 -2.70 -0.11 0.00 1.25 0.00 0.00 42.46 40.99 1iby s ILE 58 CO 0.39 -0.05 1.32 -1.20 0.24 0.00 0.00 174.94 175.64 1iby n SER 59 N -0.60 2.87 -4.30 4.36 7.64 -1.26 -4.01 113.62 118.31 1iby n SER 59 Ca -0.02 1.17 -0.23 0.00 1.01 0.00 0.00 58.87 60.80 1iby n SER 59 Cb 0.66 -1.52 -0.12 0.00 -1.01 0.00 0.00 64.21 62.22 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 -2.06 1.17 0.11 1.43 0.41 0.38 -4.92 118.70 115.23 1iby s GLU 60 Ca 0.57 -1.23 0.04 0.00 -0.41 0.00 0.00 54.97 53.94 1iby s GLU 60 Cb -0.53 -1.38 -0.04 0.00 -1.78 0.00 0.00 34.13 30.41 1iby s GLU 60 CO 0.61 0.31 0.10 0.20 -0.49 0.00 0.00 175.26 175.99 1iby s GLY 61 N -2.13 1.91 -0.20 -1.39 0.00 -1.26 0.12 107.32 104.37 1iby s GLY 61 Ca 0.09 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.69 1iby s GLY 61 CO 0.05 -1.07 0.19 -0.12 0.00 0.00 0.00 173.10 172.14 1iby s PHE 62 N -1.52 -0.14 0.04 1.90 5.36 -0.71 -4.16 117.98 118.74 1iby s PHE 62 Ca 0.30 0.03 0.04 0.00 -0.96 0.00 0.00 56.93 56.34 1iby s PHE 62 Cb -0.11 -0.47 -0.02 0.00 -0.34 0.00 0.00 43.02 42.08 1iby s PHE 62 CO 0.23 -0.60 -0.11 -1.12 -1.46 0.00 0.00 175.22 172.16 1iby s SER 63 N 2.27 1.27 -0.31 6.13 0.01 0.19 -0.92 113.70 122.34 1iby s SER 63 Ca 0.06 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 56.86 1iby s SER 63 Cb -0.16 -0.05 0.13 0.00 0.21 0.00 0.00 66.02 66.15 1iby s SER 63 CO -0.13 -0.04 0.24 -0.63 0.41 0.00 0.00 173.24 173.09 1iby s ILE 64 N -0.93 -0.21 0.17 1.44 1.01 0.20 -0.83 121.20 122.05 1iby s ILE 64 Ca -0.02 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.64 1iby s ILE 64 Cb -0.08 -0.96 0.10 0.00 0.01 0.00 0.00 42.46 41.53 1iby s ILE 64 CO 0.01 -0.64 1.64 0.44 0.00 0.00 0.00 174.94 176.38 1iby h ASP 65 N 7.99 -0.65 -0.90 3.58 5.19 -1.78 -1.50 116.42 128.34 1iby h ASP 65 Ca -0.11 0.15 0.26 0.00 -0.62 0.00 0.00 57.03 56.72 1iby h ASP 65 Cb 1.04 0.35 -0.04 0.00 0.18 0.00 0.00 39.33 40.86 1iby h ASP 65 CO 0.34 -0.22 0.72 0.00 -3.12 0.00 0.00 179.24 176.96 1iby h ALA 66 N 1.16 2.79 -0.10 3.45 0.00 -1.94 -0.25 119.26 124.38 1iby h ALA 66 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1iby h ALA 66 Cb 0.42 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1iby h ALA 66 CO -0.47 -1.19 -0.12 1.19 0.00 0.00 0.00 179.25 178.66 1iby n PHE 67 N -4.02 0.34 -2.25 0.00 3.01 -1.03 -4.96 117.46 108.54 1iby n PHE 67 Ca 0.19 -1.17 -0.17 0.00 1.01 0.00 0.00 57.45 57.31 1iby n PHE 67 Cb 1.04 -0.25 -0.02 0.00 -0.01 0.00 0.00 39.48 40.23 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 -1.14 -0.13 3.70 1.37 0.00 -0.10 -4.94 105.19 103.94 1iby n GLY 68 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.76 5.06 -0.30 1.61 1.01 -0.59 -4.97 120.40 119.46 1iby s VAL 69 Ca 0.00 1.24 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 1iby s VAL 69 Cb 0.00 -3.96 0.19 0.00 0.00 0.00 0.00 36.38 32.61 1iby s VAL 69 CO 0.00 0.21 0.72 -1.58 0.00 0.00 0.00 175.10 174.45 1iby s GLN 70 N 1.21 0.46 0.18 2.72 0.74 -1.25 -0.63 119.66 123.10 1iby s GLN 70 Ca 0.32 0.77 0.06 0.00 0.05 0.00 0.00 55.36 56.56 1iby s GLN 70 Cb -0.16 0.42 -0.05 0.00 1.10 0.00 0.00 33.01 34.32 1iby s GLN 70 CO 0.13 -0.56 -0.13 -1.21 -0.55 0.00 0.00 175.29 172.98 1iby s GLU 71 N 2.88 1.22 -0.20 1.67 0.41 -0.10 -4.99 118.70 119.60 1iby s GLU 71 Ca 0.15 -1.53 -0.00 0.00 -0.41 0.00 0.00 54.97 53.17 1iby s GLU 71 Cb -0.13 -0.93 0.05 0.00 -1.78 0.00 0.00 34.13 31.34 1iby s GLU 71 CO -0.19 0.14 -0.04 0.08 -0.49 0.00 0.00 175.26 174.76 1iby s VAL 72 N -3.09 1.21 -0.27 2.63 1.01 -1.26 -1.75 120.40 118.89 1iby s VAL 72 Ca 0.20 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1iby s VAL 72 Cb 0.00 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 1iby s VAL 72 CO 0.04 -0.04 0.21 -0.63 0.00 0.00 0.00 175.10 174.68 1iby s ILE 73 N 1.56 5.31 0.71 2.22 1.09 0.12 -4.90 121.20 127.31 1iby s ILE 73 Ca -0.03 0.22 -0.15 0.00 -1.10 0.00 0.00 60.65 59.60 1iby s ILE 73 Cb -0.17 -3.54 0.03 0.00 -1.06 0.00 0.00 42.46 37.71 1iby s ILE 73 CO -0.07 0.26 1.16 -0.54 -0.10 0.00 0.00 174.94 175.65 1iby s LYS 74 N 1.64 2.34 0.18 2.79 1.02 -1.26 -0.47 119.74 125.98 1iby s LYS 74 Ca 0.08 1.60 -0.33 0.00 0.02 0.00 0.00 55.97 57.33 1iby s LYS 74 Cb -0.15 -1.87 -0.14 0.00 -0.52 0.00 0.00 37.83 35.14 1iby s LYS 74 CO 0.10 -1.64 1.54 0.00 -0.92 0.00 0.00 175.35 174.42 1iby n ALA 75 N -2.69 1.31 -0.13 5.17 0.00 -1.26 -1.18 120.51 121.73 1iby n ALA 75 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1iby n ALA 75 Cb 0.51 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 3.11 2.72 3.91 0.00 0.00 0.57 -5.00 105.19 110.50 1iby n GLY 76 Ca 0.16 0.00 -0.28 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 -0.01 3.62 -0.09 1.61 0.41 -0.33 -4.80 118.70 119.12 1iby s GLU 77 Ca 0.00 0.05 0.04 0.00 -0.41 0.00 0.00 54.97 54.65 1iby s GLU 77 Cb 0.00 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1iby s GLU 77 CO 0.00 0.10 -0.23 0.99 -0.49 0.00 0.00 175.26 175.64 1iby s THR 78 N -2.26 1.94 -0.02 3.63 2.01 -1.26 -0.73 115.64 118.95 1iby s THR 78 Ca 0.45 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 61.52 1iby s THR 78 Cb -0.10 -1.68 -0.00 0.00 0.01 0.00 0.00 72.50 70.73 1iby s THR 78 CO 0.33 0.53 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.94 1iby s LYS 79 N 0.31 0.93 -0.24 4.92 2.20 0.14 -4.96 119.74 123.04 1iby s LYS 79 Ca -0.16 -0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 54.92 1iby s LYS 79 Cb -0.17 -0.88 -0.04 0.00 -1.51 0.00 0.00 37.83 35.23 1iby s LYS 79 CO 0.08 0.19 0.42 0.99 -0.36 0.00 0.00 175.35 176.66 1iby s THR 80 N -0.09 5.16 -0.22 3.43 2.01 -1.26 -0.35 115.64 124.31 1iby s THR 80 Ca 0.01 0.70 -0.11 0.00 0.31 0.00 0.00 61.69 62.61 1iby s THR 80 Cb -0.06 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.66 1iby s THR 80 CO -0.00 0.19 0.19 -0.63 -0.69 0.00 0.00 174.62 173.67 1iby s ILE 81 N 1.77 5.35 -0.07 1.82 -1.09 0.24 -4.91 121.20 124.32 1iby s ILE 81 Ca 0.18 0.26 0.04 0.00 -2.23 0.00 0.00 60.65 58.90 1iby s ILE 81 Cb -0.15 -3.53 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 1iby s ILE 81 CO 0.09 0.35 -0.19 -0.44 -1.23 0.00 0.00 174.94 173.53 1iby s SER 82 N 0.90 2.43 0.10 3.58 0.01 -1.26 0.22 113.70 119.67 1iby s SER 82 Ca 0.09 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.68 1iby s SER 82 Cb -0.13 -0.91 0.08 0.00 0.21 0.00 0.00 66.02 65.26 1iby s SER 82 CO 0.04 0.14 0.84 0.72 0.41 0.00 0.00 173.24 175.38 1iby s PHE 83 N 0.26 -0.30 -0.21 2.43 -0.71 -0.56 -5.02 117.98 113.86 1iby s PHE 83 Ca -0.11 0.07 -0.05 0.00 -1.04 0.00 0.00 56.93 55.81 1iby s PHE 83 Cb -0.15 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1iby s PHE 83 CO 0.05 -0.75 0.00 0.99 -1.34 0.00 0.00 175.22 174.16 1iby s THR 84 N -3.36 3.88 -1.28 -4.49 2.01 -1.26 0.41 115.64 111.54 1iby s THR 84 Ca 0.07 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 1iby s THR 84 Cb -0.02 -2.76 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1iby s THR 84 CO -0.05 0.41 1.87 0.00 -0.69 0.00 0.00 174.62 176.17 1iby n ALA 85 N 4.45 3.61 1.64 7.40 0.00 -1.16 -4.71 120.51 131.74 1iby n ALA 85 Ca -0.17 -3.69 0.03 0.00 0.00 0.00 0.00 53.44 49.61 1iby n ALA 85 Cb 0.52 -3.58 0.11 0.00 0.00 0.00 0.00 19.45 16.50 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 8.93 0.62 -3.73 0.00 5.75 -1.26 0.64 116.55 127.50 1iby n ASP 86 Ca 0.49 -1.93 -0.14 0.00 -0.01 0.00 0.00 54.79 53.19 1iby n ASP 86 Cb 0.44 -0.07 -0.15 0.00 -1.03 0.00 0.00 41.12 40.31 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 -1.85 0.06 0.43 0.11 1.02 -1.26 -4.84 119.74 113.41 1iby s LYS 87 Ca 0.11 0.39 -0.22 0.00 0.02 0.00 0.00 55.97 56.27 1iby s LYS 87 Cb 0.05 -0.21 -0.10 0.00 -0.52 0.00 0.00 37.83 37.05 1iby s LYS 87 CO 0.08 -0.19 0.98 0.00 -0.92 0.00 0.00 175.35 175.30 1iby s ALA 88 N 1.38 3.01 0.00 5.17 0.00 -1.26 -4.74 121.76 125.32 1iby s ALA 88 Ca -0.07 0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.39 1iby s ALA 88 Cb -0.12 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1iby s ALA 88 CO -0.06 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1iby n GLY 89 N -0.33 0.02 3.02 0.00 0.00 -0.06 -4.94 105.19 102.90 1iby n GLY 89 Ca 0.07 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 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 1.70 -0.04 4.61 0.00 -1.26 -0.63 121.76 125.14 1iby s ALA 90 Ca 0.00 -0.77 0.04 0.00 0.00 0.00 0.00 51.96 51.23 1iby s ALA 90 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1iby s ALA 90 CO 0.00 -0.25 -0.15 -0.06 0.00 0.00 0.00 175.76 175.30 1iby s PHE 91 N 1.30 1.53 0.13 0.00 0.40 0.16 -4.97 117.98 116.54 1iby s PHE 91 Ca -0.00 -0.45 -0.31 0.00 -0.60 0.00 0.00 56.93 55.57 1iby s PHE 91 Cb -0.14 -1.05 -0.08 0.00 0.51 0.00 0.00 43.02 42.26 1iby s PHE 91 CO -0.06 -0.17 1.41 0.99 0.70 0.00 0.00 175.22 178.09 1iby s THR 92 N 0.17 3.16 -0.27 0.64 2.01 -1.26 0.05 115.64 120.14 1iby s THR 92 Ca -0.06 0.85 -0.12 0.00 0.31 0.00 0.00 61.69 62.67 1iby s THR 92 Cb -0.12 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 1iby s THR 92 CO 0.02 0.07 0.23 -0.63 -0.69 0.00 0.00 174.62 173.62 1iby s ILE 93 N 0.99 5.29 0.10 1.82 1.01 -0.27 -4.39 121.20 125.74 1iby s ILE 93 Ca 0.65 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 1iby s ILE 93 Cb -0.38 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1iby s ILE 93 CO 0.31 0.24 0.02 -1.66 0.00 0.00 0.00 174.94 173.85 1iby s TRP 94 N 1.76 0.72 -0.29 3.97 1.48 -0.01 0.27 118.94 126.85 1iby s TRP 94 Ca 0.09 -1.15 -0.14 0.00 -1.06 0.00 0.00 56.10 53.83 1iby s TRP 94 Cb -0.16 -0.45 -0.03 0.00 -1.16 0.00 0.00 33.47 31.67 1iby s TRP 94 CO 0.10 -0.45 0.35 0.00 -4.06 0.00 0.00 176.95 172.89 1iby n GLN 96 N 5.32 0.64 -0.06 0.00 0.00 -1.26 -3.75 117.38 118.27 1iby n GLN 96 Ca -0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 57.00 56.84 1iby n GLN 96 Cb 0.51 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 29.10 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 -1.17 0.24 -4.41 2.61 4.77 -1.26 -5.02 117.00 112.76 1iby n LEU 97 Ca 0.18 0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 56.06 1iby n LEU 97 Cb 0.20 0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1iby n LEU 97 CO 0.21 0.37 -0.41 -1.00 -1.33 0.00 0.00 177.39 175.23 1iby s HIS 98 N -2.70 1.94 0.26 -1.77 3.76 -1.25 -5.08 115.29 110.45 1iby s HIS 98 Ca -0.08 -0.58 -0.31 0.00 -0.15 0.00 0.00 55.06 53.94 1iby s HIS 98 Cb 0.08 -0.99 -0.13 0.00 1.11 0.00 0.00 32.58 32.64 1iby s HIS 98 CO 0.84 0.40 1.36 -2.30 -0.85 0.00 0.00 174.74 174.18 1iby n PRO 99 N -0.53 1.97 -0.04 8.40 -0.02 -1.26 -4.76 135.00 138.77 1iby n PRO 99 Ca -0.06 0.70 0.15 0.00 -2.02 0.00 0.00 63.50 62.27 1iby n PRO 99 Cb 0.62 -2.32 0.59 0.00 -0.02 0.00 0.00 33.50 32.36 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 3.78 0.21 -0.55 -0.52 1.79 -1.88 -0.33 116.57 119.06 1iby h LYS 100 Ca -0.45 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1iby h LYS 100 Cb 1.28 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1iby h LYS 100 CO 0.72 0.14 0.00 0.27 -1.08 0.00 0.00 179.45 179.50 1iby n ASN 101 N -4.44 2.97 -0.04 0.86 6.94 -1.26 -3.51 115.26 116.77 1iby n ASN 101 Ca 0.09 -2.00 -0.08 0.00 -0.02 0.00 0.00 54.58 52.58 1iby n ASN 101 Cb 0.47 -0.37 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 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 1.13 1.29 -3.24 1.53 2.08 -0.40 -4.75 119.36 117.00 1iby n ILE 102 Ca 0.19 0.15 -0.46 0.00 0.56 0.00 0.00 62.75 63.18 1iby n ILE 102 Cb 0.47 -1.97 -0.03 0.00 -0.75 0.00 0.00 39.64 37.35 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 -2.49 3.46 0.31 1.39 2.46 -0.27 -1.26 115.29 118.89 1iby s HIS 103 Ca -0.18 -1.61 -0.30 0.00 0.47 0.00 0.00 55.06 53.44 1iby s HIS 103 Cb 0.04 -3.91 -0.11 0.00 -0.13 0.00 0.00 32.58 28.46 1iby s HIS 103 CO 0.26 -1.11 1.58 1.28 -2.47 0.00 0.00 174.74 174.28 1iby n LEU 104 N 4.94 4.51 -4.79 8.88 4.77 -0.92 -4.47 117.00 129.93 1iby n LEU 104 Ca 0.06 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.90 1iby n LEU 104 Cb 0.45 -1.61 0.09 0.00 -2.33 0.00 0.00 43.42 40.02 1iby n LEU 104 CO 0.44 0.18 0.70 -2.84 -1.33 0.00 0.00 177.39 174.54 1iby s PRO 105 N -0.85 2.18 0.00 3.23 0.02 -1.26 -4.49 135.00 133.83 1iby s PRO 105 Ca 0.62 0.83 0.00 0.00 0.02 0.00 0.00 61.00 62.47 1iby s PRO 105 Cb -0.48 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.12 1iby s PRO 105 CO 0.52 -1.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.00 1iby n GLY 106 N -1.76 6.30 3.04 0.52 0.00 0.14 -4.94 105.19 108.50 1iby n GLY 106 Ca 0.07 -1.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.12 0.01 -0.25 2.61 2.01 -0.25 -1.11 115.64 118.53 1iby s THR 107 Ca 0.00 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 1iby s THR 107 Cb 0.00 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.26 1iby s THR 107 CO 0.00 -0.03 0.02 -0.22 -0.69 0.00 0.00 174.62 173.70 1iby s LEU 108 N -0.04 3.32 -0.19 4.42 2.96 0.11 -0.81 118.68 128.46 1iby s LEU 108 Ca -0.01 -0.47 -0.05 0.00 -0.22 0.00 0.00 54.13 53.38 1iby s LEU 108 Cb -0.02 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1iby s LEU 108 CO 0.00 -0.08 -0.01 0.20 -1.32 0.00 0.00 176.35 175.15 1iby s ASN 109 N 1.51 4.88 -0.36 3.68 0.01 0.10 -0.66 114.94 124.10 1iby s ASN 109 Ca 0.05 -0.16 -0.03 0.00 -0.71 0.00 0.00 52.86 52.00 1iby s ASN 109 Cb -0.15 -1.82 0.08 0.00 0.41 0.00 0.00 41.25 39.76 1iby s ASN 109 CO -0.00 0.10 0.11 -0.69 -1.51 0.00 0.00 177.10 175.11 1iby s VAL 110 N 0.78 3.28 -0.02 1.60 1.01 0.20 -0.38 120.40 126.87 1iby s VAL 110 Ca 0.00 -1.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.12 1iby s VAL 110 Cb -0.14 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.15 1iby s VAL 110 CO 0.02 -0.38 0.68 -0.69 0.00 0.00 0.00 175.10 174.73 1iby s VAL 111 N 1.23 4.92 -2.00 2.92 1.01 0.69 -0.88 120.40 128.29 1iby s VAL 111 Ca 0.01 1.43 0.28 0.00 0.00 0.00 0.00 61.98 63.70 1iby s VAL 111 Cb -0.21 -4.02 0.79 0.00 0.00 0.00 0.00 36.38 32.93 1iby s VAL 111 CO -0.02 0.33 2.00 1.21 0.00 0.00 0.00 175.10 178.62