#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbu n ASP 3 N 0.00 3.14 -3.60 0.00 8.00 -1.26 -4.96 116.55 117.87 1nbu n ASP 3 Ca 0.00 1.17 -0.10 0.00 0.71 0.00 0.00 54.79 56.56 1nbu n ASP 3 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 41.12 39.57 1nbu n ASP 3 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nbu s ARG 4 N -0.92 1.39 -0.10 -1.24 1.70 -1.26 -2.80 118.95 115.71 1nbu s ARG 4 Ca 0.63 -0.68 0.01 0.00 -0.47 0.00 0.00 55.73 55.22 1nbu s ARG 4 Cb -0.57 0.57 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1nbu s ARG 4 CO 0.53 -0.61 -0.14 0.42 -1.08 0.00 0.00 175.30 174.42 1nbu s ILE 5 N -3.82 2.98 -0.13 4.99 1.01 0.55 -4.95 121.20 121.84 1nbu s ILE 5 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.99 1nbu s ILE 5 Cb -0.02 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1nbu s ILE 5 CO -0.06 0.55 -0.11 -1.61 0.00 0.00 0.00 174.94 173.70 1nbu s GLU 6 N 0.02 1.92 -0.17 2.79 2.02 -1.26 -0.69 118.70 123.33 1nbu s GLU 6 Ca -0.05 -0.41 -0.03 0.00 0.02 0.00 0.00 54.97 54.51 1nbu s GLU 6 Cb -0.14 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 1nbu s GLU 6 CO 0.04 -0.23 -0.07 -1.17 0.02 0.00 0.00 175.26 173.85 1nbu s LEU 7 N 1.54 2.94 -0.06 1.80 2.96 -0.21 -5.00 118.68 122.65 1nbu s LEU 7 Ca 0.04 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 1nbu s LEU 7 Cb -0.13 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.87 1nbu s LEU 7 CO -0.09 0.10 -0.12 -0.13 -1.32 0.00 0.00 176.35 174.79 1nbu s ARG 8 N 0.74 1.68 -0.36 1.98 1.81 -1.26 -0.92 118.95 122.62 1nbu s ARG 8 Ca -0.03 -0.42 -0.01 0.00 -1.72 0.00 0.00 55.73 53.56 1nbu s ARG 8 Cb -0.15 -1.39 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 1nbu s ARG 8 CO 0.02 0.04 0.09 0.41 -0.68 0.00 0.00 175.30 175.18 1nbu n GLY 9 N 3.78 0.33 3.63 -3.53 0.00 -0.99 -4.97 105.19 103.44 1nbu n GLY 9 Ca -0.23 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1nbu n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nbu s LEU 10 N -1.71 3.96 -0.20 0.99 2.96 0.04 -4.75 118.68 119.96 1nbu s LEU 10 Ca 0.05 1.75 -0.04 0.00 -0.22 0.00 0.00 54.13 55.66 1nbu s LEU 10 Cb -0.02 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 1nbu s LEU 10 CO 0.06 -1.22 -0.03 -0.89 -1.32 0.00 0.00 176.35 172.95 1nbu s THR 11 N 5.10 3.65 -0.11 3.68 2.01 -1.26 0.58 115.64 129.29 1nbu s THR 11 Ca 0.73 -0.41 -0.05 0.00 0.31 0.00 0.00 61.69 62.27 1nbu s THR 11 Cb -0.27 -2.65 0.05 0.00 0.01 0.00 0.00 72.50 69.64 1nbu s THR 11 CO 0.29 0.43 0.25 -0.69 -0.69 0.00 0.00 174.62 174.22 1nbu s VAL 12 N 1.15 -0.14 0.23 3.82 1.01 -0.13 -4.99 120.40 121.34 1nbu s VAL 12 Ca 0.02 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 1nbu s VAL 12 Cb -0.15 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 1nbu s VAL 12 CO 0.00 0.08 1.14 -2.28 0.00 0.00 0.00 175.10 174.04 1nbu s HIS 13 N 1.58 3.50 0.36 5.22 5.65 -1.26 -0.90 115.29 129.44 1nbu s HIS 13 Ca -0.06 1.57 -0.04 0.00 0.25 0.00 0.00 55.06 56.78 1nbu s HIS 13 Cb -0.11 -3.35 0.01 0.00 -1.18 0.00 0.00 32.58 27.95 1nbu s HIS 13 CO -0.09 -0.85 0.53 0.20 -0.65 0.00 0.00 174.74 173.88 1nbu s GLY 14 N -0.34 1.39 -0.12 1.59 0.00 -0.74 -4.47 107.32 104.62 1nbu s GLY 14 Ca 0.49 -1.44 0.17 0.00 0.00 0.00 0.00 44.72 43.93 1nbu s GLY 14 CO 0.39 -0.92 1.14 0.54 0.00 0.00 0.00 173.10 174.25 1nbu n ARG 15 N -0.58 1.17 -1.90 2.90 1.74 -1.26 -0.90 116.66 117.84 1nbu n ARG 15 Ca -0.00 -2.48 -0.38 0.00 -0.77 0.00 0.00 57.85 54.22 1nbu n ARG 15 Cb 0.61 -1.40 0.03 0.00 -1.02 0.00 0.00 32.46 30.68 1nbu n ARG 15 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1nbu s HIS 16 N -2.61 2.41 0.00 -1.55 3.76 -1.26 -4.44 115.29 111.60 1nbu s HIS 16 Ca 0.29 1.42 0.00 0.00 -0.15 0.00 0.00 55.06 56.63 1nbu s HIS 16 Cb 0.26 -3.69 0.00 0.00 1.11 0.00 0.00 32.58 30.26 1nbu s HIS 16 CO 0.02 -2.56 0.00 0.41 -0.85 0.00 0.00 174.74 171.76 1nbu n GLY 17 N 0.66 3.85 0.17 -2.22 0.00 0.11 -4.87 105.19 102.89 1nbu n GLY 17 Ca 0.10 -0.62 -0.14 0.00 0.00 0.00 0.00 46.02 45.36 1nbu n GLY 17 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nbu h VAL 18 N 4.13 1.34 -3.17 1.61 2.07 -1.80 -3.38 116.25 117.05 1nbu h VAL 18 Ca 0.00 -1.45 -0.65 0.00 0.82 0.00 0.00 66.70 65.42 1nbu h VAL 18 Cb 0.00 1.85 -0.17 0.00 -1.52 0.00 0.00 31.29 31.45 1nbu h VAL 18 CO 0.00 0.44 -0.78 -0.31 0.02 0.00 0.00 177.57 176.94 1nbu s TYR 19 N -4.19 2.46 0.21 1.57 1.51 -1.26 -4.99 117.35 112.66 1nbu s TYR 19 Ca -0.13 -0.29 -0.05 0.00 -1.01 0.00 0.00 57.07 55.59 1nbu s TYR 19 Cb 0.06 -1.22 0.16 0.00 -0.11 0.00 0.00 41.96 40.85 1nbu s TYR 19 CO 0.79 0.49 1.60 -0.44 -1.11 0.00 0.00 175.55 176.89 1nbu h ASP 20 N 3.14 0.78 0.30 2.29 3.32 -2.00 0.42 116.42 124.65 1nbu h ASP 20 Ca -0.47 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.25 1nbu h ASP 20 Cb 1.20 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 1nbu h ASP 20 CO 0.50 1.01 -0.15 1.12 -1.72 0.00 0.00 179.24 180.00 1nbu h HIS 21 N 0.65 0.00 0.00 4.55 2.07 -1.98 -0.55 115.15 119.89 1nbu h HIS 21 Ca 0.08 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.57 1nbu h HIS 21 Cb 0.79 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.77 1nbu h HIS 21 CO 0.04 0.15 -0.16 0.93 -3.07 0.00 0.00 177.93 175.82 1nbu h GLU 22 N 0.00 0.00 0.00 5.12 5.08 -0.54 -3.04 114.58 121.20 1nbu h GLU 22 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nbu h GLU 22 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1nbu h GLU 22 CO 0.02 0.16 -0.41 -0.09 -1.00 0.00 0.00 179.01 177.69 1nbu h ARG 23 N 0.00 0.00 0.72 2.33 2.43 -1.20 -3.09 114.38 115.57 1nbu h ARG 23 Ca -0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1nbu h ARG 23 Cb 0.59 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1nbu h ARG 23 CO 0.02 0.00 -0.34 0.28 -1.51 0.00 0.00 179.97 178.42 1nbu h VAL 24 N 0.00 0.19 0.00 0.20 2.07 -1.50 -3.38 116.25 113.83 1nbu h VAL 24 Ca 0.00 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 1nbu h VAL 24 Cb 0.82 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1nbu h VAL 24 CO 0.00 0.02 -1.76 0.00 0.02 0.00 0.00 177.57 175.84 1nbu n ALA 25 N -2.60 1.97 0.00 1.67 0.00 -1.26 -5.11 120.51 115.18 1nbu n ALA 25 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1nbu n ALA 25 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.68 1nbu n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbu n GLY 26 N 2.07 -1.66 3.78 0.00 0.00 -1.17 -4.93 105.19 103.28 1nbu n GLY 26 Ca -0.14 -1.34 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 1nbu n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nbu s GLN 27 N 0.00 0.94 -0.03 1.61 -2.07 -0.08 -4.98 119.66 115.04 1nbu s GLN 27 Ca 0.00 -0.56 -0.30 0.00 -1.82 0.00 0.00 55.36 52.68 1nbu s GLN 27 Cb 0.00 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.19 1nbu s GLN 27 CO 0.00 -0.43 1.01 0.50 -1.32 0.00 0.00 175.29 175.04 1nbu s ARG 28 N -2.61 4.50 0.02 9.60 3.52 -1.26 -1.79 118.95 130.93 1nbu s ARG 28 Ca 0.17 1.43 0.05 0.00 -0.13 0.00 0.00 55.73 57.26 1nbu s ARG 28 Cb 0.00 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1nbu s ARG 28 CO 0.01 -0.16 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.17 1nbu s PHE 29 N 1.38 2.74 -0.11 5.12 0.40 -0.08 -4.28 117.98 123.14 1nbu s PHE 29 Ca 0.51 -0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.71 1nbu s PHE 29 Cb -0.21 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.80 1nbu s PHE 29 CO 0.25 0.32 -0.14 0.08 0.70 0.00 0.00 175.22 176.43 1nbu s VAL 30 N -0.98 1.42 -0.08 -0.44 1.01 -0.73 -0.96 120.40 119.65 1nbu s VAL 30 Ca 0.16 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.59 1nbu s VAL 30 Cb -0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1nbu s VAL 30 CO 0.07 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.83 1nbu s ILE 31 N 1.13 3.06 0.03 2.22 1.09 0.20 -0.23 121.20 128.70 1nbu s ILE 31 Ca -0.04 -0.70 0.06 0.00 -1.10 0.00 0.00 60.65 58.86 1nbu s ILE 31 Cb -0.14 -2.22 -0.03 0.00 -1.06 0.00 0.00 42.46 39.00 1nbu s ILE 31 CO -0.03 0.57 -0.13 -1.81 -0.10 0.00 0.00 174.94 173.43 1nbu s ASP 32 N -0.38 4.14 -0.03 3.58 1.01 -0.47 -0.78 116.67 123.74 1nbu s ASP 32 Ca 0.04 -0.32 0.03 0.00 0.71 0.00 0.00 52.55 53.01 1nbu s ASP 32 Cb -0.12 -0.79 -0.00 0.00 1.01 0.00 0.00 42.92 43.01 1nbu s ASP 32 CO 0.02 0.26 -0.11 -0.69 0.21 0.00 0.00 175.17 174.86 1nbu s VAL 33 N -0.97 0.93 -0.13 -1.27 1.01 -0.09 -1.03 120.40 118.85 1nbu s VAL 33 Ca 0.16 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1nbu s VAL 33 Cb -0.11 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1nbu s VAL 33 CO 0.07 0.28 -0.15 -0.89 0.00 0.00 0.00 175.10 174.41 1nbu s THR 34 N 0.07 1.56 -0.29 3.92 2.01 -0.20 -1.04 115.64 121.67 1nbu s THR 34 Ca -0.02 -0.66 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1nbu s THR 34 Cb -0.08 -1.44 0.04 0.00 0.01 0.00 0.00 72.50 71.03 1nbu s THR 34 CO 0.01 0.46 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.69 1nbu s VAL 35 N 1.17 3.02 -0.27 3.82 1.01 0.13 -0.86 120.40 128.41 1nbu s VAL 35 Ca -0.02 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.45 1nbu s VAL 35 Cb -0.14 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1nbu s VAL 35 CO -0.05 -0.03 0.82 0.26 0.00 0.00 0.00 175.10 176.10 1nbu s TRP 36 N 1.28 3.25 -0.10 5.22 0.51 -0.41 -0.33 118.94 128.36 1nbu s TRP 36 Ca -0.04 0.99 -0.21 0.00 -2.12 0.00 0.00 56.10 54.73 1nbu s TRP 36 Cb -0.19 -3.15 0.05 0.00 -0.81 0.00 0.00 33.47 29.37 1nbu s TRP 36 CO -0.02 -0.49 0.51 -1.50 -0.51 0.00 0.00 176.95 174.95 1nbu s ILE 37 N 2.93 0.02 -0.06 2.03 2.07 -1.12 -0.77 121.20 126.28 1nbu s ILE 37 Ca 0.34 -0.14 -0.30 0.00 -1.41 0.00 0.00 60.65 59.15 1nbu s ILE 37 Cb -0.15 -0.78 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 1nbu s ILE 37 CO 0.10 -0.07 1.39 -0.62 -1.91 0.00 0.00 174.94 173.82 1nbu s ASP 38 N -0.60 6.86 -0.01 4.50 -1.08 -1.26 -4.29 116.67 120.79 1nbu s ASP 38 Ca -0.07 1.99 0.15 0.00 -0.52 0.00 0.00 52.55 54.09 1nbu s ASP 38 Cb -0.03 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 39.31 1nbu s ASP 38 CO 0.04 -0.76 1.36 0.18 0.52 0.00 0.00 175.17 176.52 1nbu n LEU 39 N 6.04 3.35 -0.15 -1.34 4.77 -1.26 -4.61 117.00 123.80 1nbu n LEU 39 Ca 0.14 -2.07 -0.12 0.00 -0.03 0.00 0.00 56.01 53.94 1nbu n LEU 39 Cb 0.44 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1nbu n LEU 39 CO 0.58 0.81 0.66 0.00 -1.33 0.00 0.00 177.39 178.11 1nbu h ALA 40 N 2.75 0.64 -0.47 -1.18 0.00 -1.94 -1.69 119.26 117.37 1nbu h ALA 40 Ca 0.00 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1nbu h ALA 40 Cb 0.87 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1nbu h ALA 40 CO 0.02 0.63 -0.19 1.49 0.00 0.00 0.00 179.25 181.20 1nbu h GLU 41 N 0.80 0.93 -0.64 0.00 4.57 -1.89 -0.92 114.58 117.43 1nbu h GLU 41 Ca 0.10 -0.38 0.02 0.00 -1.18 0.00 0.00 59.36 57.92 1nbu h GLU 41 Cb 0.80 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1nbu h GLU 41 CO 0.07 1.04 0.42 0.00 -1.18 0.00 0.00 179.01 179.36 1nbu h ALA 42 N 0.96 1.58 0.00 2.92 0.00 -1.68 0.31 119.26 123.35 1nbu h ALA 42 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1nbu h ALA 42 Cb 0.75 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1nbu h ALA 42 CO 0.06 0.37 -0.26 0.00 0.00 0.00 0.00 179.25 179.42 1nbu h ALA 43 N 1.61 0.90 0.00 0.00 0.00 -0.86 0.28 119.26 121.19 1nbu h ALA 43 Ca 0.24 -0.24 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1nbu h ALA 43 Cb -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1nbu h ALA 43 CO -0.06 0.33 -1.26 -0.91 0.00 0.00 0.00 179.25 177.35 1nbu h ASN 44 N 0.00 0.00 0.47 0.00 -0.26 0.75 -3.35 115.58 113.20 1nbu h ASN 44 Ca -0.00 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.46 1nbu h ASN 44 Cb 0.98 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 38.19 1nbu h ASN 44 CO 0.03 0.89 -1.73 -1.54 -1.06 0.00 0.00 177.43 174.02 1nbu n SER 45 N -3.16 0.78 -1.98 5.81 3.41 0.76 -4.97 113.62 114.27 1nbu n SER 45 Ca -0.07 0.37 -0.18 0.00 -0.26 0.00 0.00 58.87 58.72 1nbu n SER 45 Cb 0.94 0.10 -0.02 0.00 -0.26 0.00 0.00 64.21 64.97 1nbu n SER 45 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1nbu n ASP 46 N -2.98 -5.32 -4.30 4.04 2.03 0.08 -5.00 116.55 105.10 1nbu n ASP 46 Ca -0.17 0.07 -0.36 0.00 0.52 0.00 0.00 54.79 54.85 1nbu n ASP 46 Cb 1.02 -4.39 -0.14 0.00 -0.72 0.00 0.00 41.12 36.90 1nbu n ASP 46 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1nbu s ASP 47 N -2.28 4.63 0.54 1.67 -1.08 -1.26 -5.02 116.67 113.87 1nbu s ASP 47 Ca 0.00 -0.62 0.34 0.00 -0.52 0.00 0.00 52.55 51.75 1nbu s ASP 47 Cb 0.00 -1.78 1.51 0.00 -1.46 0.00 0.00 42.92 41.19 1nbu s ASP 47 CO 0.00 -0.11 1.85 0.25 0.52 0.00 0.00 175.17 177.68 1nbu h LEU 48 N 8.13 0.01 -2.25 -1.34 5.85 -1.94 -0.50 115.31 123.27 1nbu h LEU 48 Ca -0.36 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.36 1nbu h LEU 48 Cb 1.14 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1nbu h LEU 48 CO 0.59 0.00 -0.05 0.00 -0.34 0.00 0.00 178.44 178.64 1nbu h ALA 49 N 1.49 1.26 -0.01 1.25 0.00 -2.00 -2.09 119.26 119.16 1nbu h ALA 49 Ca 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1nbu h ALA 49 Cb 1.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1nbu h ALA 49 CO -0.01 0.07 -0.05 -0.25 0.00 0.00 0.00 179.25 179.01 1nbu n ASP 50 N -3.53 1.45 -1.95 0.00 8.00 -0.20 -4.87 116.55 115.45 1nbu n ASP 50 Ca -0.02 -1.40 -0.02 0.00 0.71 0.00 0.00 54.79 54.06 1nbu n ASP 50 Cb 0.17 0.03 -0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1nbu n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1nbu n THR 51 N 0.05 0.00 -3.62 -3.53 5.66 -0.79 -4.14 114.28 107.91 1nbu n THR 51 Ca 0.18 -0.16 -0.40 0.00 -3.05 0.00 0.00 64.05 60.61 1nbu n THR 51 Cb 0.36 0.04 -0.11 0.00 -1.55 0.00 0.00 70.33 69.07 1nbu n THR 51 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1nbu s TYR 52 N -1.34 3.22 -0.09 1.09 6.14 -1.26 -5.02 117.35 120.09 1nbu s TYR 52 Ca 0.01 -0.83 -0.29 0.00 0.64 0.00 0.00 57.07 56.59 1nbu s TYR 52 Cb 0.00 -2.40 -0.06 0.00 0.42 0.00 0.00 41.96 39.92 1nbu s TYR 52 CO 0.00 -0.58 1.78 0.34 0.64 0.00 0.00 175.55 177.73 1nbu s ASP 53 N 1.57 6.42 0.47 4.32 2.15 -1.26 -4.87 116.67 125.47 1nbu s ASP 53 Ca 0.03 2.16 0.21 0.00 0.43 0.00 0.00 52.55 55.38 1nbu s ASP 53 Cb -0.18 -2.53 1.16 0.00 -0.30 0.00 0.00 42.92 41.07 1nbu s ASP 53 CO 0.06 -1.14 1.99 0.10 -0.17 0.00 0.00 175.17 176.01 1nbu h TYR 54 N 10.64 0.00 -0.07 -5.34 -0.00 -1.99 -2.79 116.97 117.42 1nbu h TYR 54 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.32 1nbu h TYR 54 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.92 1nbu h TYR 54 CO 0.91 0.19 0.02 0.28 -0.00 0.00 0.00 178.16 179.57 1nbu h VAL 55 N 0.00 1.16 -0.17 -0.90 2.07 -2.00 0.53 116.25 116.94 1nbu h VAL 55 Ca -0.00 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 66.96 1nbu h VAL 55 Cb 0.42 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1nbu h VAL 55 CO 0.02 0.14 -0.23 0.03 0.02 0.00 0.00 177.57 177.56 1nbu h ARG 56 N -0.07 0.30 -0.15 1.57 3.08 -1.96 -2.06 114.38 115.09 1nbu h ARG 56 Ca 0.02 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 1nbu h ARG 56 Cb 0.20 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1nbu h ARG 56 CO -0.00 0.52 0.05 1.25 -1.07 0.00 0.00 179.97 180.72 1nbu h LEU 57 N 0.27 0.22 -0.72 3.04 6.46 -1.18 -0.64 115.31 122.76 1nbu h LEU 57 Ca 0.05 -0.20 -0.07 0.00 -0.12 0.00 0.00 57.88 57.54 1nbu h LEU 57 Cb 0.56 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.40 1nbu h LEU 57 CO 0.04 0.36 0.16 0.00 -0.62 0.00 0.00 178.44 178.37 1nbu h ALA 58 N 0.87 0.95 -0.20 1.25 0.00 -0.74 -0.86 119.26 120.53 1nbu h ALA 58 Ca 0.05 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.51 1nbu h ALA 58 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nbu h ALA 58 CO -0.00 0.67 -0.65 0.66 0.00 0.00 0.00 179.25 179.93 1nbu h SER 59 N 1.07 0.84 -0.26 0.00 4.64 -1.20 -0.74 113.55 117.90 1nbu h SER 59 Ca 0.22 -0.50 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 1nbu h SER 59 Cb 0.39 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1nbu h SER 59 CO 0.00 1.27 -0.08 -0.09 -0.87 0.00 0.00 176.83 177.07 1nbu h ARG 60 N 0.53 0.51 -0.96 4.77 9.65 -1.02 -0.73 114.38 127.14 1nbu h ARG 60 Ca -0.02 -0.20 0.05 0.00 -1.10 0.00 0.00 59.98 58.71 1nbu h ARG 60 Cb 1.25 -0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.75 1nbu h ARG 60 CO 0.13 0.74 0.62 0.00 2.80 0.00 0.00 179.97 184.26 1nbu h ALA 61 N 0.76 1.29 -0.51 2.80 0.00 -1.09 -0.38 119.26 122.13 1nbu h ALA 61 Ca 0.06 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1nbu h ALA 61 Cb 0.55 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1nbu h ALA 61 CO 0.03 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.76 1nbu h ALA 62 N 1.41 0.69 -0.60 0.00 0.00 -0.86 -1.12 119.26 118.78 1nbu h ALA 62 Ca 0.39 -0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1nbu h ALA 62 Cb 0.07 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1nbu h ALA 62 CO -0.14 0.48 0.25 0.93 0.00 0.00 0.00 179.25 180.77 1nbu h GLU 63 N 0.76 0.44 -0.38 0.00 5.08 -0.54 0.43 114.58 120.37 1nbu h GLU 63 Ca 0.15 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1nbu h GLU 63 Cb 0.49 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1nbu h GLU 63 CO 0.02 0.29 0.02 0.82 -1.00 0.00 0.00 179.01 179.16 1nbu h ILE 64 N 0.46 1.25 -0.09 3.13 2.04 -0.67 -1.91 117.51 121.72 1nbu h ILE 64 Ca 0.29 -0.95 -0.11 0.00 1.00 0.00 0.00 64.86 65.09 1nbu h ILE 64 Cb 0.32 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 1nbu h ILE 64 CO -0.27 0.32 -0.45 0.58 0.00 0.00 0.00 178.15 178.33 1nbu h VAL 65 N 0.49 1.33 0.00 1.67 2.07 -0.61 -2.58 116.25 118.61 1nbu h VAL 65 Ca 0.11 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1nbu h VAL 65 Cb 0.44 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1nbu h VAL 65 CO 0.02 0.48 0.00 0.00 0.02 0.00 0.00 177.57 178.08 1nbu n ALA 66 N -2.47 2.05 -1.00 1.67 0.00 0.09 -4.56 120.51 116.29 1nbu n ALA 66 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nbu n ALA 66 Cb 0.50 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1nbu n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbu n GLY 67 N 0.82 -1.44 3.65 0.00 0.00 -0.73 -4.89 105.19 102.59 1nbu n GLY 67 Ca 0.04 -1.60 -0.46 0.00 0.00 0.00 0.00 46.02 44.01 1nbu n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nbu n PRO 68 N -0.91 1.82 -2.13 1.61 -0.02 -1.26 -4.75 135.00 129.37 1nbu n PRO 68 Ca 0.00 0.65 -0.36 0.00 -2.02 0.00 0.00 63.50 61.77 1nbu n PRO 68 Cb 0.00 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.21 1nbu n PRO 68 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nbu s PRO 69 N -0.22 3.18 0.26 0.52 0.04 -1.26 -4.99 135.00 132.53 1nbu s PRO 69 Ca 0.71 1.75 0.06 0.00 0.04 0.00 0.00 61.00 63.56 1nbu s PRO 69 Cb -0.71 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.80 1nbu s PRO 69 CO 0.49 -1.02 0.28 1.03 0.04 0.00 0.00 177.00 177.82 1nbu s ARG 70 N -3.26 3.13 0.01 4.56 1.81 -1.26 -4.95 118.95 118.99 1nbu s ARG 70 Ca 0.75 -0.95 -0.24 0.00 -1.72 0.00 0.00 55.73 53.57 1nbu s ARG 70 Cb -0.28 -2.70 -0.17 0.00 -0.45 0.00 0.00 34.95 31.35 1nbu s ARG 70 CO 0.31 0.38 1.36 0.87 -0.68 0.00 0.00 175.30 177.54 1nbu h LYS 71 N 1.32 0.13 -6.13 3.54 1.57 -1.95 0.34 116.57 115.40 1nbu h LYS 71 Ca -0.50 -0.06 -0.66 0.00 -1.87 0.00 0.00 60.65 57.57 1nbu h LYS 71 Cb 1.24 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.42 1nbu h LYS 71 CO 0.60 0.51 -0.62 -0.51 -0.57 0.00 0.00 179.45 178.86 1nbu s LEU 72 N -9.32 3.63 0.49 2.94 1.43 -1.26 -2.48 118.68 114.10 1nbu s LEU 72 Ca -0.15 0.02 0.28 0.00 -1.03 0.00 0.00 54.13 53.26 1nbu s LEU 72 Cb 0.04 -2.11 0.90 0.00 0.03 0.00 0.00 46.19 45.04 1nbu s LEU 72 CO 0.70 0.27 1.81 0.16 0.23 0.00 0.00 176.35 179.52 1nbu h ILE 73 N 3.36 0.05 -0.61 -0.59 3.07 -1.96 -2.57 117.51 118.26 1nbu h ILE 73 Ca -0.49 -0.78 0.10 0.00 1.55 0.00 0.00 64.86 65.24 1nbu h ILE 73 Cb 1.18 1.74 -0.08 0.00 -0.27 0.00 0.00 36.82 39.39 1nbu h ILE 73 CO 0.59 0.02 0.20 -0.33 -1.05 0.00 0.00 178.15 177.58 1nbu h GLU 74 N 0.00 0.35 -0.24 0.16 3.07 -1.94 -0.33 114.58 115.65 1nbu h GLU 74 Ca -0.00 -0.02 -0.15 0.00 -0.50 0.00 0.00 59.36 58.69 1nbu h GLU 74 Cb 0.74 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.57 1nbu h GLU 74 CO 0.00 0.23 -0.46 1.79 -1.40 0.00 0.00 179.01 179.18 1nbu h THR 75 N 0.36 1.30 -0.64 1.13 1.35 -1.88 -1.04 112.91 113.49 1nbu h THR 75 Ca 0.31 -1.65 0.02 0.00 -0.55 0.00 0.00 66.41 64.54 1nbu h THR 75 Cb 0.41 1.61 -0.04 0.00 -1.73 0.00 0.00 68.15 68.41 1nbu h THR 75 CO -0.34 0.52 0.40 0.58 -0.25 0.00 0.00 175.52 176.44 1nbu h VAL 76 N 0.49 1.11 -0.68 6.82 2.07 -1.45 -1.51 116.25 123.10 1nbu h VAL 76 Ca 0.03 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1nbu h VAL 76 Cb 0.98 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1nbu h VAL 76 CO 0.09 0.15 0.23 1.23 0.02 0.00 0.00 177.57 179.28 1nbu h GLY 77 N 0.80 1.13 1.25 2.17 0.00 -0.63 -2.21 103.07 105.58 1nbu h GLY 77 Ca 0.25 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.85 1nbu h GLY 77 CO -0.09 0.62 0.06 0.00 0.00 0.00 0.00 176.54 177.13 1nbu h ALA 78 N 1.10 1.05 -0.62 3.60 0.00 -1.00 -0.44 119.26 122.95 1nbu h ALA 78 Ca 0.22 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1nbu h ALA 78 Cb 0.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1nbu h ALA 78 CO -0.01 0.60 0.10 1.49 0.00 0.00 0.00 179.25 181.43 1nbu h GLU 79 N 0.86 1.03 -0.54 0.00 4.81 -0.82 0.17 114.58 120.09 1nbu h GLU 79 Ca 0.17 -0.28 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1nbu h GLU 79 Cb 0.42 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1nbu h GLU 79 CO 0.01 0.96 0.01 0.82 -0.73 0.00 0.00 179.01 180.08 1nbu h ILE 80 N 0.94 1.26 -0.41 2.32 2.04 -1.21 -2.37 117.51 120.08 1nbu h ILE 80 Ca 0.19 -1.10 -0.14 0.00 1.00 0.00 0.00 64.86 64.82 1nbu h ILE 80 Cb 0.43 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1nbu h ILE 80 CO 0.01 0.39 -0.27 0.00 0.00 0.00 0.00 178.15 178.28 1nbu h ALA 81 N 0.96 0.59 -0.90 1.87 0.00 -0.62 -1.84 119.26 119.32 1nbu h ALA 81 Ca 0.16 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1nbu h ALA 81 Cb 0.52 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1nbu h ALA 81 CO 0.03 0.61 0.60 -0.44 0.00 0.00 0.00 179.25 180.05 1nbu h ASP 82 N 0.74 1.03 -0.00 0.00 3.32 -0.63 -1.37 116.42 119.50 1nbu h ASP 82 Ca 0.08 -0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.12 1nbu h ASP 82 Cb 0.85 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 1nbu h ASP 82 CO 0.07 0.74 -0.05 -0.74 -1.72 0.00 0.00 179.24 177.55 1nbu h HIS 83 N 1.22 -0.12 -0.47 4.55 -0.00 -1.01 -2.50 115.15 116.82 1nbu h HIS 83 Ca 0.33 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.68 1nbu h HIS 83 Cb -0.13 0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 1nbu h HIS 83 CO -0.00 -0.07 0.18 0.28 -0.00 0.00 0.00 177.93 178.31 1nbu h VAL 84 N -0.08 1.18 0.00 5.26 2.07 -0.84 -1.55 116.25 122.29 1nbu h VAL 84 Ca 0.02 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1nbu h VAL 84 Cb 0.11 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1nbu h VAL 84 CO -0.05 0.22 0.00 0.23 0.02 0.00 0.00 177.57 177.99 1nbu n MET 85 N -4.35 0.13 0.23 1.57 2.00 -0.56 -2.11 117.12 114.02 1nbu n MET 85 Ca 0.04 0.15 0.14 0.00 0.00 0.00 0.00 57.70 58.02 1nbu n MET 85 Cb 0.16 -1.50 0.79 0.00 0.00 0.00 0.00 33.22 32.67 1nbu n MET 85 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1nbu h ASP 86 N 0.00 0.00 -3.57 7.83 3.45 -0.95 -3.37 116.42 119.80 1nbu h ASP 86 Ca 0.00 0.00 -0.59 0.00 0.43 0.00 0.00 57.03 56.87 1nbu h ASP 86 Cb 0.25 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 38.92 1nbu h ASP 86 CO 0.00 0.00 0.66 -0.62 -1.57 0.00 0.00 179.24 177.71 1nbu s ASP 87 N -6.34 6.49 0.16 6.45 -1.08 -0.90 -4.90 116.67 116.55 1nbu s ASP 87 Ca -0.05 0.09 0.12 0.00 -0.52 0.00 0.00 52.55 52.19 1nbu s ASP 87 Cb 0.16 -2.47 0.61 0.00 -1.46 0.00 0.00 42.92 39.77 1nbu s ASP 87 CO 0.60 -1.14 1.36 0.00 0.52 0.00 0.00 175.17 176.52 1nbu n GLN 88 N 7.39 0.07 0.19 4.34 1.13 -1.26 -0.72 117.38 128.53 1nbu n GLN 88 Ca 0.06 0.54 0.13 0.00 -1.94 0.00 0.00 57.00 55.80 1nbu n GLN 88 Cb 0.48 -1.73 0.31 0.00 0.11 0.00 0.00 30.24 29.42 1nbu n GLN 88 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nbu h ARG 89 N 0.00 0.00 -6.34 -1.09 3.08 -1.91 -3.45 114.38 104.67 1nbu h ARG 89 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1nbu h ARG 89 Cb 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1nbu h ARG 89 CO 0.00 0.00 0.52 0.08 -1.07 0.00 0.00 179.97 179.50 1nbu s VAL 90 N -3.25 4.66 0.10 2.04 1.01 0.11 -4.57 120.40 120.50 1nbu s VAL 90 Ca 0.07 1.93 -0.12 0.00 0.00 0.00 0.00 61.98 63.86 1nbu s VAL 90 Cb 0.08 -4.24 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 1nbu s VAL 90 CO 0.62 0.07 1.28 0.45 0.00 0.00 0.00 175.10 177.52 1nbu h HIS 91 N 7.02 1.03 -2.21 5.22 3.86 -1.27 -3.43 115.15 125.36 1nbu h HIS 91 Ca -0.36 -0.48 0.15 0.00 -1.16 0.00 0.00 60.37 58.52 1nbu h HIS 91 Cb 1.18 -0.15 -0.13 0.00 1.06 0.00 0.00 27.41 29.37 1nbu h HIS 91 CO 0.70 1.31 0.53 0.00 0.86 0.00 0.00 177.93 181.33 1nbu s ALA 92 N -3.62 -1.81 0.00 2.45 0.00 -1.18 -0.67 121.76 116.93 1nbu s ALA 92 Ca -0.10 0.78 -0.08 0.00 0.00 0.00 0.00 51.96 52.57 1nbu s ALA 92 Cb 0.08 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.65 1nbu s ALA 92 CO 0.91 -0.80 0.15 0.54 0.00 0.00 0.00 175.76 176.55 1nbu s VAL 93 N -3.09 0.08 -0.06 0.00 0.11 -0.31 -1.29 120.40 115.84 1nbu s VAL 93 Ca 0.08 -0.68 0.03 0.00 -2.93 0.00 0.00 61.98 58.48 1nbu s VAL 93 Cb -0.01 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1nbu s VAL 93 CO -0.05 -0.37 -0.13 -1.61 -3.33 0.00 0.00 175.10 169.60 1nbu s GLU 94 N -1.37 1.75 -0.17 1.54 2.02 -0.04 -2.08 118.70 120.35 1nbu s GLU 94 Ca -0.15 -0.46 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 1nbu s GLU 94 Cb -0.07 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.71 1nbu s GLU 94 CO 0.02 0.07 -0.15 0.08 0.02 0.00 0.00 175.26 175.30 1nbu s VAL 95 N 0.54 2.62 -0.21 2.63 1.01 0.50 -1.04 120.40 126.45 1nbu s VAL 95 Ca -0.13 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.00 1nbu s VAL 95 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1nbu s VAL 95 CO 0.04 0.51 0.08 0.00 0.00 0.00 0.00 175.10 175.72 1nbu s ALA 96 N 1.00 3.38 -0.28 5.51 0.00 -0.20 -0.29 121.76 130.88 1nbu s ALA 96 Ca -0.02 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 1nbu s ALA 96 Cb -0.15 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 20.98 1nbu s ALA 96 CO -0.03 -0.03 0.02 0.08 0.00 0.00 0.00 175.76 175.80 1nbu s VAL 97 N 0.76 3.46 -0.08 0.00 1.01 -0.28 -1.37 120.40 123.90 1nbu s VAL 97 Ca 0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1nbu s VAL 97 Cb -0.13 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1nbu s VAL 97 CO 0.02 0.09 0.08 -1.00 0.00 0.00 0.00 175.10 174.29 1nbu s HIS 98 N 1.41 3.38 -0.59 5.22 3.76 0.68 -1.88 115.29 127.27 1nbu s HIS 98 Ca 0.01 0.34 0.06 0.00 -0.15 0.00 0.00 55.06 55.32 1nbu s HIS 98 Cb -0.17 -1.84 0.25 0.00 1.11 0.00 0.00 32.58 31.93 1nbu s HIS 98 CO -0.00 0.60 0.71 1.17 -0.85 0.00 0.00 174.74 176.37 1nbu n LYS 99 N 1.81 2.20 0.04 1.40 4.81 0.46 -1.77 118.16 127.11 1nbu n LYS 99 Ca -0.18 -4.40 0.08 0.00 -0.87 0.00 0.00 58.31 52.95 1nbu n LYS 99 Cb 0.54 -2.06 0.36 0.00 0.02 0.00 0.00 35.03 33.89 1nbu n LYS 99 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1nbu n PRO 100 N 0.93 0.06 -0.53 1.64 -0.04 -1.26 -1.51 135.00 134.28 1nbu n PRO 100 Ca 0.28 0.30 0.08 0.00 -0.04 0.00 0.00 63.50 64.12 1nbu n PRO 100 Cb 0.43 -1.61 0.29 0.00 -0.04 0.00 0.00 33.50 32.57 1nbu n PRO 100 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nbu n GLN 101 N -1.72 3.38 -1.55 0.54 6.02 -1.26 -4.76 117.38 118.03 1nbu n GLN 101 Ca 0.03 -2.87 -0.52 0.00 -0.01 0.00 0.00 57.00 53.63 1nbu n GLN 101 Cb 0.19 -1.91 -0.06 0.00 1.02 0.00 0.00 30.24 29.49 1nbu n GLN 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1nbu n ALA 102 N -0.14 -1.62 -1.94 -1.58 0.00 -0.57 -4.79 120.51 109.87 1nbu n ALA 102 Ca 0.22 0.51 -0.42 0.00 0.00 0.00 0.00 53.44 53.76 1nbu n ALA 102 Cb 0.93 -1.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 1nbu n ALA 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1nbu n PRO 103 N 1.94 3.49 -4.33 0.00 -0.04 -1.26 -4.90 135.00 129.90 1nbu n PRO 103 Ca 0.18 -3.02 -0.28 0.00 -0.04 0.00 0.00 63.50 60.34 1nbu n PRO 103 Cb 0.19 -3.00 -0.11 0.00 -0.04 0.00 0.00 33.50 30.55 1nbu n PRO 103 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1nbu s ILE 104 N 1.39 2.83 -0.30 0.52 -4.36 -1.26 -5.05 121.20 114.97 1nbu s ILE 104 Ca 0.48 -1.71 0.28 0.00 -0.26 0.00 0.00 60.65 59.43 1nbu s ILE 104 Cb 0.13 -2.36 0.31 0.00 1.25 0.00 0.00 42.46 41.80 1nbu s ILE 104 CO -0.05 -0.04 1.81 -0.65 0.24 0.00 0.00 174.94 176.25 1nbu h PRO 105 N 3.28 0.00 -7.26 0.37 0.11 -2.03 -3.45 132.00 123.01 1nbu h PRO 105 Ca -0.48 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.14 1nbu h PRO 105 Cb 1.19 0.00 0.06 0.00 0.11 0.00 0.00 31.00 32.37 1nbu h PRO 105 CO 0.49 0.00 0.38 -0.65 -0.21 0.00 0.00 178.00 178.01 1nbu s GLN 106 N -3.41 3.35 -0.28 1.05 1.11 -1.26 -5.04 119.66 115.19 1nbu s GLN 106 Ca 0.04 1.02 -0.17 0.00 0.01 0.00 0.00 55.36 56.26 1nbu s GLN 106 Cb 0.09 -2.04 -0.03 0.00 -1.01 0.00 0.00 33.01 30.02 1nbu s GLN 106 CO 0.50 -0.77 0.47 0.99 0.01 0.00 0.00 175.29 176.49 1nbu s THR 107 N -2.78 5.10 0.16 -0.19 2.01 -1.26 -5.06 115.64 113.62 1nbu s THR 107 Ca 0.60 0.71 -0.18 0.00 0.31 0.00 0.00 61.69 63.13 1nbu s THR 107 Cb -0.14 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.61 1nbu s THR 107 CO 0.44 0.07 0.48 0.72 -0.69 0.00 0.00 174.62 175.64 1nbu s PHE 108 N 2.24 -0.22 -0.10 4.92 -0.12 -1.26 -5.08 117.98 118.37 1nbu s PHE 108 Ca 0.19 -0.09 -0.09 0.00 -0.05 0.00 0.00 56.93 56.89 1nbu s PHE 108 Cb -0.16 0.36 -0.28 0.00 -0.63 0.00 0.00 43.02 42.31 1nbu s PHE 108 CO 0.10 -0.81 0.46 -0.44 -0.05 0.00 0.00 175.22 174.48 1nbu h ASP 109 N 2.24 0.47 -4.97 1.98 3.32 -1.97 -3.50 116.42 114.00 1nbu h ASP 109 Ca -0.32 -0.94 -0.04 0.00 0.02 0.00 0.00 57.03 55.76 1nbu h ASP 109 Cb 1.27 -0.15 -0.16 0.00 0.22 0.00 0.00 39.33 40.50 1nbu h ASP 109 CO 0.42 1.82 0.22 -0.62 -1.72 0.00 0.00 179.24 179.36 1nbu s ASP 110 N -7.12 -0.61 0.00 6.45 -1.08 -1.26 -4.81 116.67 108.24 1nbu s ASP 110 Ca -0.20 0.42 0.01 0.00 -0.52 0.00 0.00 52.55 52.25 1nbu s ASP 110 Cb 0.06 0.55 -0.00 0.00 -1.46 0.00 0.00 42.92 42.07 1nbu s ASP 110 CO 0.79 -0.74 -0.02 0.54 0.52 0.00 0.00 175.17 176.26 1nbu s VAL 111 N -2.20 0.18 0.21 1.11 0.11 -1.26 -5.02 120.40 113.53 1nbu s VAL 111 Ca -0.06 -0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 58.65 1nbu s VAL 111 Cb -0.00 -0.17 0.04 0.00 -1.53 0.00 0.00 36.38 34.72 1nbu s VAL 111 CO 0.01 0.02 0.58 0.00 -3.33 0.00 0.00 175.10 172.37 1nbu s ALA 112 N -0.14 -1.14 0.06 1.54 0.00 -1.26 -0.40 121.76 120.41 1nbu s ALA 112 Ca -0.00 -0.08 0.09 0.00 0.00 0.00 0.00 51.96 51.97 1nbu s ALA 112 Cb -0.01 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 1nbu s ALA 112 CO -0.00 -0.85 -0.24 0.14 0.00 0.00 0.00 175.76 174.81 1nbu s VAL 113 N -3.86 1.96 -0.10 0.00 -7.23 -0.79 -4.98 120.40 105.41 1nbu s VAL 113 Ca 0.08 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.88 1nbu s VAL 113 Cb -0.02 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 1nbu s VAL 113 CO -0.03 0.24 -0.16 -0.69 -0.31 0.00 0.00 175.10 174.15 1nbu s VAL 114 N -0.86 2.85 -0.13 1.32 1.01 -1.26 -1.13 120.40 122.20 1nbu s VAL 114 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1nbu s VAL 114 Cb -0.10 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1nbu s VAL 114 CO 0.03 0.55 -0.15 -0.63 0.00 0.00 0.00 175.10 174.90 1nbu s ILE 115 N -0.00 2.88 -0.00 2.22 -1.09 0.60 -4.94 121.20 120.87 1nbu s ILE 115 Ca -0.05 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1nbu s ILE 115 Cb -0.14 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.50 1nbu s ILE 115 CO 0.04 0.53 -0.05 -0.60 -1.23 0.00 0.00 174.94 173.63 1nbu s ARG 116 N 0.40 2.61 0.01 2.79 3.52 -1.26 -0.37 118.95 126.65 1nbu s ARG 116 Ca -0.11 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 1nbu s ARG 116 Cb -0.16 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.68 1nbu s ARG 116 CO 0.06 0.61 -0.02 1.03 -0.81 0.00 0.00 175.30 176.17 1nbu s ARG 117 N -1.39 0.16 0.03 5.12 1.81 -0.88 -5.01 118.95 118.79 1nbu s ARG 117 Ca 0.17 -0.24 -0.14 0.00 -1.72 0.00 0.00 55.73 53.80 1nbu s ARG 117 Cb -0.11 -0.01 0.02 0.00 -0.45 0.00 0.00 34.95 34.39 1nbu s ARG 117 CO 0.07 -0.00 0.30 -1.12 -0.68 0.00 0.00 175.30 173.87 1nbu s SER 118 N -0.54 -0.12 0.00 0.23 0.01 -1.26 -1.17 113.70 110.85 1nbu s SER 118 Ca -0.05 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.05 1nbu s SER 118 Cb -0.04 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1nbu s SER 118 CO -0.00 -0.58 0.04 -2.11 0.41 0.00 0.00 173.24 171.00