#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 1.74 -3.44 0.00 8.00 -1.26 -4.98 116.55 116.61 1nbu n ASP 3 Ca 0.00 1.16 -0.12 0.00 0.71 0.00 0.00 54.79 56.55 1nbu n ASP 3 Cb 0.00 -1.32 -0.02 0.00 -0.02 0.00 0.00 41.12 39.76 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 -1.04 1.18 -0.17 -1.24 1.70 -1.26 -3.12 118.95 114.99 1nbu s ARG 4 Ca 0.64 -0.41 -0.05 0.00 -0.47 0.00 0.00 55.73 55.44 1nbu s ARG 4 Cb -0.72 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.17 1nbu s ARG 4 CO 0.56 -0.51 0.00 0.42 -1.08 0.00 0.00 175.30 174.69 1nbu s ILE 5 N -3.51 4.24 -0.16 4.99 1.01 -0.29 -4.94 121.20 122.53 1nbu s ILE 5 Ca 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1nbu s ILE 5 Cb -0.01 -2.89 0.02 0.00 0.01 0.00 0.00 42.46 39.59 1nbu s ILE 5 CO -0.11 0.47 -0.18 -1.61 0.00 0.00 0.00 174.94 173.51 1nbu s GLU 6 N 0.44 2.73 -0.14 2.79 2.02 -1.26 -0.36 118.70 124.92 1nbu s GLU 6 Ca -0.01 -0.73 -0.03 0.00 0.02 0.00 0.00 54.97 54.22 1nbu s GLU 6 Cb -0.14 -2.37 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 1nbu s GLU 6 CO 0.02 -0.19 -0.04 -1.17 0.02 0.00 0.00 175.26 173.90 1nbu s LEU 7 N 1.28 3.24 -0.03 1.80 2.96 1.00 -4.99 118.68 123.94 1nbu s LEU 7 Ca 0.03 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.86 1nbu s LEU 7 Cb -0.13 -1.77 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1nbu s LEU 7 CO -0.10 0.21 -0.08 -0.13 -1.32 0.00 0.00 176.35 174.92 1nbu s ARG 8 N 0.13 0.90 0.00 1.98 1.81 -1.26 -0.65 118.95 121.86 1nbu s ARG 8 Ca -0.01 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.72 1nbu s ARG 8 Cb -0.14 -0.85 0.00 0.00 -0.45 0.00 0.00 34.95 33.52 1nbu s ARG 8 CO 0.03 0.09 0.00 0.41 -0.68 0.00 0.00 175.30 175.15 1nbu n GLY 9 N 3.34 0.39 3.62 -3.53 0.00 -0.95 -4.97 105.19 103.09 1nbu n GLY 9 Ca -0.18 -1.02 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 3.79 -0.18 0.99 2.96 -0.29 -4.77 118.68 121.18 1nbu s LEU 10 Ca 0.00 1.80 -0.03 0.00 -0.22 0.00 0.00 54.13 55.68 1nbu s LEU 10 Cb 0.00 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1nbu s LEU 10 CO 0.00 -1.49 -0.06 -0.89 -1.32 0.00 0.00 176.35 172.59 1nbu s THR 11 N 6.18 3.43 -0.07 3.68 2.01 -1.26 -0.85 115.64 128.75 1nbu s THR 11 Ca 0.83 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 62.30 1nbu s THR 11 Cb -0.29 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 69.74 1nbu s THR 11 CO 0.33 0.47 0.16 -0.69 -0.69 0.00 0.00 174.62 174.21 1nbu s VAL 12 N 0.91 -0.05 0.27 3.82 1.01 -0.49 -5.00 120.40 120.87 1nbu s VAL 12 Ca -0.01 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1nbu s VAL 12 Cb -0.15 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.87 1nbu s VAL 12 CO 0.01 0.07 1.14 -2.28 0.00 0.00 0.00 175.10 174.04 1nbu s HIS 13 N 1.20 3.48 0.26 5.22 5.65 -1.26 -0.46 115.29 129.38 1nbu s HIS 13 Ca -0.09 1.61 -0.05 0.00 0.25 0.00 0.00 55.06 56.78 1nbu s HIS 13 Cb -0.11 -3.36 0.02 0.00 -1.18 0.00 0.00 32.58 27.95 1nbu s HIS 13 CO -0.06 -0.84 0.44 0.41 -0.65 0.00 0.00 174.74 174.04 1nbu n GLY 14 N 1.33 1.90 0.32 1.59 0.00 -0.26 -4.47 105.19 105.60 1nbu n GLY 14 Ca 0.00 -1.38 0.07 0.00 0.00 0.00 0.00 46.02 44.71 1nbu n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nbu n ARG 15 N -0.39 1.06 -1.87 1.61 1.74 -1.26 -1.24 116.66 116.30 1nbu n ARG 15 Ca -0.02 -2.43 -0.37 0.00 -0.77 0.00 0.00 57.85 54.26 1nbu n ARG 15 Cb 0.42 -1.28 0.05 0.00 -1.02 0.00 0.00 32.46 30.62 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 -2.32 2.27 0.00 -1.55 3.76 -1.26 -4.55 115.29 111.64 1nbu s HIS 16 Ca 0.28 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 1nbu s HIS 16 Cb 0.26 -3.63 0.00 0.00 1.11 0.00 0.00 32.58 30.31 1nbu s HIS 16 CO -0.00 -2.61 0.00 0.41 -0.85 0.00 0.00 174.74 171.68 1nbu n GLY 17 N 0.71 3.66 0.15 -2.22 0.00 -0.33 -4.84 105.19 102.31 1nbu n GLY 17 Ca 0.13 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 3.02 1.41 -3.26 1.61 2.07 -1.73 -3.37 116.25 115.98 1nbu h VAL 18 Ca 0.00 -1.88 -0.63 0.00 0.82 0.00 0.00 66.70 65.01 1nbu h VAL 18 Cb 0.00 2.38 -0.17 0.00 -1.52 0.00 0.00 31.29 31.98 1nbu h VAL 18 CO 0.00 0.55 -0.59 -0.31 0.02 0.00 0.00 177.57 177.25 1nbu s TYR 19 N -3.50 3.21 0.20 1.57 1.51 -1.26 -4.99 117.35 114.09 1nbu s TYR 19 Ca -0.13 0.03 -0.03 0.00 -1.01 0.00 0.00 57.07 55.93 1nbu s TYR 19 Cb 0.04 -2.02 0.39 0.00 -0.11 0.00 0.00 41.96 40.27 1nbu s TYR 19 CO 0.81 0.18 1.06 -0.25 -1.11 0.00 0.00 175.55 176.24 1nbu n ASP 20 N 3.31 -0.18 -0.13 2.29 8.00 -1.26 0.74 116.55 129.32 1nbu n ASP 20 Ca -0.17 1.16 -0.02 0.00 0.71 0.00 0.00 54.79 56.47 1nbu n ASP 20 Cb 0.53 -0.38 0.23 0.00 -0.02 0.00 0.00 41.12 41.47 1nbu n ASP 20 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 1nbu h HIS 21 N 0.00 0.82 0.00 1.24 2.07 -1.99 -2.18 115.15 115.11 1nbu h HIS 21 Ca 0.36 -0.05 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 1nbu h HIS 21 Cb 0.63 -0.25 0.00 0.00 2.57 0.00 0.00 27.41 30.36 1nbu h HIS 21 CO -0.45 0.65 0.00 0.93 -3.07 0.00 0.00 177.93 175.99 1nbu h GLU 22 N 0.80 0.00 0.00 5.12 5.08 -0.06 -2.39 114.58 123.13 1nbu h GLU 22 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1nbu h GLU 22 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1nbu h GLU 22 CO -0.01 0.00 -1.26 0.54 -1.00 0.00 0.00 179.01 177.28 1nbu n ARG 23 N -2.54 0.45 -0.01 2.33 1.74 -0.82 -3.01 116.66 114.80 1nbu n ARG 23 Ca -0.01 -0.02 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 1nbu n ARG 23 Cb 0.09 -1.63 -0.08 0.00 -1.02 0.00 0.00 32.46 29.82 1nbu n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1nbu h VAL 24 N 0.00 1.23 0.00 1.55 2.07 -1.51 -3.35 116.25 116.23 1nbu h VAL 24 Ca 0.00 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 1nbu h VAL 24 Cb 0.86 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1nbu h VAL 24 CO 0.00 0.19 -1.65 0.00 0.02 0.00 0.00 177.57 176.13 1nbu n ALA 25 N -2.26 2.16 0.00 1.67 0.00 -1.26 -5.13 120.51 115.70 1nbu n ALA 25 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.89 1nbu n ALA 25 Cb 0.17 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 2.00 -2.34 3.76 0.00 0.00 -1.16 -4.97 105.19 102.48 1nbu n GLY 26 Ca -0.09 -1.58 -0.04 0.00 0.00 0.00 0.00 46.02 44.31 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 -0.51 1.25 0.03 1.61 -2.07 -0.38 -4.97 119.66 114.62 1nbu s GLN 27 Ca 0.00 -0.69 -0.30 0.00 -1.82 0.00 0.00 55.36 52.55 1nbu s GLN 27 Cb 0.00 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.30 1nbu s GLN 27 CO 0.00 -0.57 1.11 0.50 -1.32 0.00 0.00 175.29 175.01 1nbu s ARG 28 N -3.34 4.48 0.10 9.60 3.52 -1.26 -1.10 118.95 130.95 1nbu s ARG 28 Ca 0.12 1.62 0.08 0.00 -0.13 0.00 0.00 55.73 57.42 1nbu s ARG 28 Cb -0.02 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 1nbu s ARG 28 CO 0.03 -0.18 -0.15 -0.06 -0.81 0.00 0.00 175.30 174.12 1nbu s PHE 29 N 1.09 2.61 -0.08 5.12 0.40 0.39 -4.34 117.98 123.17 1nbu s PHE 29 Ca 0.56 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.67 1nbu s PHE 29 Cb -0.26 -1.39 0.02 0.00 0.51 0.00 0.00 43.02 41.90 1nbu s PHE 29 CO 0.28 0.38 -0.08 0.08 0.70 0.00 0.00 175.22 176.59 1nbu s VAL 30 N -1.14 0.90 -0.07 -0.44 1.01 -0.59 -1.40 120.40 118.68 1nbu s VAL 30 Ca 0.19 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1nbu s VAL 30 Cb -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1nbu s VAL 30 CO 0.11 0.33 -0.10 -0.63 0.00 0.00 0.00 175.10 174.81 1nbu s ILE 31 N 1.30 3.43 0.02 2.22 -1.09 -0.03 -0.19 121.20 126.86 1nbu s ILE 31 Ca -0.03 -0.58 0.08 0.00 -2.23 0.00 0.00 60.65 57.88 1nbu s ILE 31 Cb -0.14 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.33 1nbu s ILE 31 CO -0.03 0.59 -0.22 -1.81 -1.23 0.00 0.00 174.94 172.24 1nbu s ASP 32 N -0.66 3.46 -0.02 3.58 1.01 -0.41 -1.14 116.67 122.49 1nbu s ASP 32 Ca 0.10 -0.46 0.04 0.00 0.71 0.00 0.00 52.55 52.94 1nbu s ASP 32 Cb -0.11 -0.48 -0.01 0.00 1.01 0.00 0.00 42.92 43.33 1nbu s ASP 32 CO 0.01 0.28 -0.13 -0.69 0.21 0.00 0.00 175.17 174.86 1nbu s VAL 33 N -0.79 1.06 -0.13 -1.27 1.01 0.18 -0.25 120.40 120.21 1nbu s VAL 33 Ca 0.12 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1nbu s VAL 33 Cb -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1nbu s VAL 33 CO 0.02 0.31 -0.16 -0.89 0.00 0.00 0.00 175.10 174.38 1nbu s THR 34 N -0.13 1.63 -0.27 3.92 2.01 -0.03 -0.00 115.64 122.77 1nbu s THR 34 Ca 0.02 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 1nbu s THR 34 Cb -0.07 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 70.99 1nbu s THR 34 CO 0.00 0.47 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.65 1nbu s VAL 35 N 1.14 2.71 -0.23 3.82 1.01 0.52 -1.52 120.40 127.85 1nbu s VAL 35 Ca -0.02 -1.32 -0.23 0.00 0.00 0.00 0.00 61.98 60.41 1nbu s VAL 35 Cb -0.14 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1nbu s VAL 35 CO -0.05 0.03 0.75 0.26 0.00 0.00 0.00 175.10 176.09 1nbu s TRP 36 N 1.24 3.33 -0.25 5.22 0.51 -0.20 -1.14 118.94 127.65 1nbu s TRP 36 Ca -0.04 1.05 -0.22 0.00 -2.12 0.00 0.00 56.10 54.77 1nbu s TRP 36 Cb -0.19 -2.96 0.07 0.00 -0.81 0.00 0.00 33.47 29.58 1nbu s TRP 36 CO -0.04 -0.33 0.66 -1.50 -0.51 0.00 0.00 176.95 175.24 1nbu s ILE 37 N 2.52 -0.00 0.12 2.03 2.07 -1.18 -0.51 121.20 126.25 1nbu s ILE 37 Ca 0.32 0.00 -0.31 0.00 -1.41 0.00 0.00 60.65 59.25 1nbu s ILE 37 Cb -0.16 -0.92 -0.09 0.00 0.13 0.00 0.00 42.46 41.42 1nbu s ILE 37 CO 0.09 0.00 1.51 -0.62 -1.91 0.00 0.00 174.94 174.01 1nbu s ASP 38 N 0.52 6.69 -0.02 4.50 -1.08 -1.26 -4.29 116.67 121.72 1nbu s ASP 38 Ca -0.01 2.46 0.11 0.00 -0.52 0.00 0.00 52.55 54.58 1nbu s ASP 38 Cb -0.05 -2.58 0.32 0.00 -1.46 0.00 0.00 42.92 39.15 1nbu s ASP 38 CO -0.02 -0.77 1.26 0.18 0.52 0.00 0.00 175.17 176.34 1nbu n LEU 39 N 4.39 2.99 -0.06 -1.34 4.77 -1.26 -4.63 117.00 121.86 1nbu n LEU 39 Ca 0.13 -2.14 -0.14 0.00 -0.03 0.00 0.00 56.01 53.83 1nbu n LEU 39 Cb 0.40 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 1nbu n LEU 39 CO 0.61 0.71 0.48 0.00 -1.33 0.00 0.00 177.39 177.85 1nbu h ALA 40 N 1.86 0.30 -0.98 -1.18 0.00 -1.94 -2.40 119.26 114.93 1nbu h ALA 40 Ca 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1nbu h ALA 40 Cb 0.81 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1nbu h ALA 40 CO 0.03 0.39 0.64 1.49 0.00 0.00 0.00 179.25 181.80 1nbu h GLU 41 N 0.26 1.25 -0.90 0.00 4.22 -1.90 -1.46 114.58 116.05 1nbu h GLU 41 Ca 0.01 -0.08 0.05 0.00 0.08 0.00 0.00 59.36 59.42 1nbu h GLU 41 Cb 0.98 -0.28 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1nbu h GLU 41 CO 0.08 0.83 0.59 0.00 -2.18 0.00 0.00 179.01 178.33 1nbu h ALA 42 N 1.38 1.48 0.00 2.92 0.00 -1.69 -0.59 119.26 122.75 1nbu h ALA 42 Ca 0.37 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 1nbu h ALA 42 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1nbu h ALA 42 CO -0.10 0.41 -0.41 0.00 0.00 0.00 0.00 179.25 179.15 1nbu h ALA 43 N 1.49 0.93 -0.06 0.00 0.00 -0.80 0.42 119.26 121.25 1nbu h ALA 43 Ca 0.37 -0.38 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1nbu h ALA 43 Cb 0.11 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1nbu h ALA 43 CO -0.13 0.52 -0.65 -0.91 0.00 0.00 0.00 179.25 178.08 1nbu h ASN 44 N 0.00 0.67 0.61 0.00 -0.26 -0.17 -3.35 115.58 113.08 1nbu h ASN 44 Ca -0.00 -0.70 -0.10 0.00 -0.56 0.00 0.00 56.30 54.94 1nbu h ASN 44 Cb 0.99 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.04 1nbu h ASN 44 CO 0.05 1.27 -1.47 -1.54 -1.06 0.00 0.00 177.43 174.68 1nbu n SER 45 N -4.14 0.62 -2.20 5.81 3.41 -0.57 -4.95 113.62 111.59 1nbu n SER 45 Ca -0.09 0.26 -0.20 0.00 -0.26 0.00 0.00 58.87 58.58 1nbu n SER 45 Cb 0.68 0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 65.28 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 -2.69 -5.55 -4.43 4.04 2.03 0.15 -4.96 116.55 105.13 1nbu n ASP 46 Ca -0.07 0.13 -0.35 0.00 0.52 0.00 0.00 54.79 55.01 1nbu n ASP 46 Cb 0.72 -4.70 -0.13 0.00 -0.72 0.00 0.00 41.12 36.29 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 -2.20 4.82 0.53 1.67 -1.08 -1.25 -4.99 116.67 114.17 1nbu s ASP 47 Ca 0.00 -0.22 0.29 0.00 -0.52 0.00 0.00 52.55 52.10 1nbu s ASP 47 Cb 0.00 -1.83 1.44 0.00 -1.46 0.00 0.00 42.92 41.07 1nbu s ASP 47 CO 0.00 0.04 1.93 0.25 0.52 0.00 0.00 175.17 177.91 1nbu h LEU 48 N 7.65 0.01 -2.11 -1.34 7.12 -1.92 -0.91 115.31 123.80 1nbu h LEU 48 Ca -0.37 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.63 1nbu h LEU 48 Cb 1.18 -0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1nbu h LEU 48 CO 0.61 0.00 -0.08 0.00 -0.13 0.00 0.00 178.44 178.84 1nbu h ALA 49 N 1.62 1.38 -0.04 1.25 0.00 -2.00 -2.21 119.26 119.26 1nbu h ALA 49 Ca 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1nbu h ALA 49 Cb 1.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.23 1nbu h ALA 49 CO -0.01 0.10 0.00 -0.25 0.00 0.00 0.00 179.25 179.09 1nbu n ASP 50 N -3.73 1.03 -3.25 0.00 8.00 -0.35 -4.90 116.55 113.36 1nbu n ASP 50 Ca -0.02 -1.42 -0.19 0.00 0.71 0.00 0.00 54.79 53.87 1nbu n ASP 50 Cb 0.18 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 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 -0.17 0.00 -3.17 -3.53 5.66 -0.83 -4.25 114.28 107.99 1nbu n THR 51 Ca 0.19 -1.75 -0.43 0.00 -3.05 0.00 0.00 64.05 59.01 1nbu n THR 51 Cb 0.26 0.63 -0.07 0.00 -1.55 0.00 0.00 70.33 69.60 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 -2.67 3.11 -0.17 1.09 6.14 -1.26 -5.00 117.35 118.58 1nbu s TYR 52 Ca 0.15 -0.05 -0.29 0.00 0.64 0.00 0.00 57.07 57.52 1nbu s TYR 52 Cb 0.01 -3.18 -0.04 0.00 0.42 0.00 0.00 41.96 39.16 1nbu s TYR 52 CO 0.11 -0.77 1.81 0.34 0.64 0.00 0.00 175.55 177.67 1nbu s ASP 53 N 1.91 6.20 0.53 4.32 2.15 -1.26 -4.86 116.67 125.66 1nbu s ASP 53 Ca 0.20 1.86 0.27 0.00 0.43 0.00 0.00 52.55 55.32 1nbu s ASP 53 Cb -0.15 -2.53 1.48 0.00 -0.30 0.00 0.00 42.92 41.42 1nbu s ASP 53 CO 0.17 -1.37 2.09 0.10 -0.17 0.00 0.00 175.17 175.99 1nbu h TYR 54 N 11.61 0.00 0.02 -5.34 -0.00 -1.99 -2.26 116.97 119.01 1nbu h TYR 54 Ca -0.38 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.13 1nbu h TYR 54 Cb 1.19 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.89 1nbu h TYR 54 CO 0.93 0.11 -1.04 -0.39 -0.00 0.00 0.00 178.16 177.77 1nbu h VAL 55 N 0.00 1.67 -0.03 -0.90 -1.51 -2.00 -1.17 116.25 112.31 1nbu h VAL 55 Ca -0.00 -3.34 -0.14 0.00 -1.23 0.00 0.00 66.70 61.99 1nbu h VAL 55 Cb 0.29 2.85 -0.02 0.00 -2.13 0.00 0.00 31.29 32.29 1nbu h VAL 55 CO 0.01 0.96 -0.64 0.03 -1.23 0.00 0.00 177.57 176.70 1nbu h ARG 56 N 0.01 0.10 -0.40 5.19 3.08 -1.89 -2.12 114.38 118.36 1nbu h ARG 56 Ca -0.03 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1nbu h ARG 56 Cb 1.79 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.83 1nbu h ARG 56 CO 0.14 0.70 0.22 1.25 -1.07 0.00 0.00 179.97 181.21 1nbu h LEU 57 N 0.07 0.34 -0.34 3.04 5.85 -1.05 -1.07 115.31 122.14 1nbu h LEU 57 Ca -0.01 0.01 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 1nbu h LEU 57 Cb 1.14 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1nbu h LEU 57 CO 0.09 0.24 -0.50 0.00 -0.34 0.00 0.00 178.44 177.93 1nbu h ALA 58 N 1.19 0.51 0.01 1.25 0.00 -1.13 -0.79 119.26 120.31 1nbu h ALA 58 Ca 0.16 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nbu h ALA 58 Cb 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1nbu h ALA 58 CO -0.10 0.68 -0.01 1.03 0.00 0.00 0.00 179.25 180.86 1nbu h SER 59 N 0.69 -0.02 -0.05 0.00 0.87 -1.29 -0.10 113.55 113.64 1nbu h SER 59 Ca 0.03 -0.02 -0.18 0.00 -1.23 0.00 0.00 61.79 60.39 1nbu h SER 59 Cb 1.10 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1nbu h SER 59 CO 0.11 0.01 -0.61 -0.09 -0.53 0.00 0.00 176.83 175.72 1nbu h ARG 60 N -0.04 0.66 -0.70 2.24 9.65 -1.17 -1.98 114.38 123.04 1nbu h ARG 60 Ca -0.00 -0.45 -0.01 0.00 -1.10 0.00 0.00 59.98 58.42 1nbu h ARG 60 Cb 0.03 0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.65 1nbu h ARG 60 CO 0.00 1.07 0.42 0.00 2.80 0.00 0.00 179.97 184.27 1nbu h ALA 61 N 0.82 0.90 -0.30 2.80 0.00 -0.99 -1.80 119.26 120.69 1nbu h ALA 61 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nbu h ALA 61 Cb 1.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1nbu h ALA 61 CO 0.12 0.37 0.20 0.00 0.00 0.00 0.00 179.25 179.94 1nbu h ALA 62 N 1.22 0.38 -0.95 0.00 0.00 -0.82 -1.68 119.26 117.40 1nbu h ALA 62 Ca 0.25 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.22 1nbu h ALA 62 Cb -0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1nbu h ALA 62 CO -0.05 -0.16 0.62 0.93 0.00 0.00 0.00 179.25 180.59 1nbu h GLU 63 N 0.40 1.03 -0.17 0.00 5.08 -1.12 -0.46 114.58 119.34 1nbu h GLU 63 Ca 0.11 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1nbu h GLU 63 Cb -0.05 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 1nbu h GLU 63 CO -0.02 0.68 -0.02 0.82 -1.00 0.00 0.00 179.01 179.47 1nbu h ILE 64 N 1.07 1.27 -0.08 3.13 2.04 -0.87 -1.54 117.51 122.53 1nbu h ILE 64 Ca 0.42 -0.94 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 1nbu h ILE 64 Cb 0.25 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1nbu h ILE 64 CO -0.17 0.28 -0.20 0.58 0.00 0.00 0.00 178.15 178.64 1nbu h VAL 65 N 0.05 1.19 -0.00 1.67 2.07 -0.55 -2.69 116.25 117.99 1nbu h VAL 65 Ca 0.05 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1nbu h VAL 65 Cb 0.43 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1nbu h VAL 65 CO 0.01 0.26 -0.48 0.00 0.02 0.00 0.00 177.57 177.38 1nbu n ALA 66 N -2.49 3.52 -1.00 1.67 0.00 -0.26 -4.54 120.51 117.42 1nbu n ALA 66 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1nbu n ALA 66 Cb 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.48 -1.43 3.75 0.00 0.00 -0.59 -4.91 105.19 103.49 1nbu n GLY 67 Ca 0.06 -1.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.46 2.57 -2.36 1.61 -0.02 -1.26 -4.74 135.00 130.34 1nbu n PRO 68 Ca 0.00 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 62.03 1nbu n PRO 68 Cb 0.00 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 30.84 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 -1.53 3.62 0.41 0.52 0.04 -1.26 -4.99 135.00 131.81 1nbu s PRO 69 Ca 0.57 1.56 0.08 0.00 0.04 0.00 0.00 61.00 63.26 1nbu s PRO 69 Cb -0.50 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.88 1nbu s PRO 69 CO 0.59 -0.62 0.45 1.03 0.04 0.00 0.00 177.00 178.49 1nbu s ARG 70 N -3.09 2.67 -0.05 4.56 1.81 -1.26 -4.97 118.95 118.62 1nbu s ARG 70 Ca 0.68 -1.40 -0.23 0.00 -1.72 0.00 0.00 55.73 53.07 1nbu s ARG 70 Cb -0.23 -2.54 -0.29 0.00 -0.45 0.00 0.00 34.95 31.45 1nbu s ARG 70 CO 0.26 -0.20 0.93 0.87 -0.68 0.00 0.00 175.30 176.48 1nbu h LYS 71 N 0.89 0.27 -6.22 3.54 1.57 -1.95 -0.88 116.57 113.79 1nbu h LYS 71 Ca -0.41 -0.41 -0.62 0.00 -1.87 0.00 0.00 60.65 57.34 1nbu h LYS 71 Cb 1.27 0.14 -0.09 0.00 0.08 0.00 0.00 32.23 33.64 1nbu h LYS 71 CO 0.53 1.16 -0.60 -0.51 -0.57 0.00 0.00 179.45 179.46 1nbu s LEU 72 N -8.06 3.73 0.31 2.94 1.43 -1.26 -2.24 118.68 115.53 1nbu s LEU 72 Ca -0.14 -0.09 0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1nbu s LEU 72 Cb 0.01 -2.40 0.34 0.00 0.03 0.00 0.00 46.19 44.17 1nbu s LEU 72 CO 0.80 0.14 1.57 0.16 0.23 0.00 0.00 176.35 179.25 1nbu h ILE 73 N 2.45 0.93 -0.98 -0.59 3.07 -1.97 -2.96 117.51 117.46 1nbu h ILE 73 Ca -0.47 -1.98 0.16 0.00 1.55 0.00 0.00 64.86 64.11 1nbu h ILE 73 Cb 1.18 2.22 -0.09 0.00 -0.27 0.00 0.00 36.82 39.86 1nbu h ILE 73 CO 0.64 0.47 0.62 -0.33 -1.05 0.00 0.00 178.15 178.49 1nbu h GLU 74 N 0.00 0.80 0.00 0.16 3.07 -1.94 -1.01 114.58 115.66 1nbu h GLU 74 Ca -0.00 -0.05 -0.20 0.00 -0.50 0.00 0.00 59.36 58.61 1nbu h GLU 74 Cb 1.19 -0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.88 1nbu h GLU 74 CO 0.06 0.53 -1.02 1.79 -1.40 0.00 0.00 179.01 178.98 1nbu h THR 75 N 0.83 1.43 -0.29 1.13 1.35 -1.94 -1.02 112.91 114.40 1nbu h THR 75 Ca 0.52 -3.10 -0.00 0.00 -0.55 0.00 0.00 66.41 63.28 1nbu h THR 75 Cb 0.72 2.70 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 1nbu h THR 75 CO -0.29 0.82 0.17 0.58 -0.25 0.00 0.00 175.52 176.54 1nbu h VAL 76 N 0.00 1.11 -0.52 6.82 2.07 -1.47 -1.44 116.25 122.81 1nbu h VAL 76 Ca -0.05 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1nbu h VAL 76 Cb 1.73 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.25 1nbu h VAL 76 CO 0.11 0.11 0.10 1.23 0.02 0.00 0.00 177.57 179.14 1nbu h GLY 77 N 0.36 0.91 1.69 2.17 0.00 -1.08 -1.65 103.07 105.48 1nbu h GLY 77 Ca 0.10 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1nbu h GLY 77 CO -0.02 0.55 0.00 0.00 0.00 0.00 0.00 176.54 177.08 1nbu h ALA 78 N 0.99 1.52 -0.32 3.60 0.00 -1.07 -0.52 119.26 123.45 1nbu h ALA 78 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1nbu h ALA 78 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nbu h ALA 78 CO 0.01 0.35 0.07 1.49 0.00 0.00 0.00 179.25 181.16 1nbu h GLU 79 N 0.38 0.52 -0.21 0.00 4.81 -0.74 0.93 114.58 120.27 1nbu h GLU 79 Ca 0.09 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1nbu h GLU 79 Cb 0.25 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1nbu h GLU 79 CO 0.01 0.60 0.13 0.82 -0.73 0.00 0.00 179.01 179.84 1nbu h ILE 80 N 0.36 1.08 -0.71 2.32 2.04 -0.92 -2.26 117.51 119.43 1nbu h ILE 80 Ca 0.10 -0.18 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1nbu h ILE 80 Cb 0.32 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1nbu h ILE 80 CO 0.00 0.08 0.44 0.00 0.00 0.00 0.00 178.15 178.67 1nbu h ALA 81 N 1.05 0.93 -0.60 1.87 0.00 -0.98 -1.34 119.26 120.18 1nbu h ALA 81 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1nbu h ALA 81 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1nbu h ALA 81 CO -0.02 0.21 0.11 -0.44 0.00 0.00 0.00 179.25 179.11 1nbu h ASP 82 N 0.85 0.92 -0.84 0.00 3.32 -0.69 -1.38 116.42 118.59 1nbu h ASP 82 Ca 0.29 -0.20 0.02 0.00 0.02 0.00 0.00 57.03 57.16 1nbu h ASP 82 Cb 0.04 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1nbu h ASP 82 CO -0.12 0.91 0.55 -0.74 -1.72 0.00 0.00 179.24 178.12 1nbu h HIS 83 N 0.92 1.04 -0.27 4.55 -0.00 -0.86 -2.39 115.15 118.13 1nbu h HIS 83 Ca 0.19 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 60.44 1nbu h HIS 83 Cb 0.38 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 1nbu h HIS 83 CO 0.02 0.64 -0.41 0.28 -0.00 0.00 0.00 177.93 178.46 1nbu h VAL 84 N 1.11 1.29 0.00 5.26 2.07 -0.57 -2.53 116.25 122.89 1nbu h VAL 84 Ca 0.31 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1nbu h VAL 84 Cb -0.09 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1nbu h VAL 84 CO -0.08 0.51 0.00 0.23 0.02 0.00 0.00 177.57 178.25 1nbu n MET 85 N -4.03 0.03 0.25 1.57 2.00 -0.59 -2.08 117.12 114.27 1nbu n MET 85 Ca -0.02 0.26 0.17 0.00 0.00 0.00 0.00 57.70 58.12 1nbu n MET 85 Cb 0.53 -1.55 0.85 0.00 0.00 0.00 0.00 33.22 33.05 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 -3.60 7.83 3.45 -0.98 -3.38 116.42 119.75 1nbu h ASP 86 Ca 0.00 0.00 -0.60 0.00 0.43 0.00 0.00 57.03 56.86 1nbu h ASP 86 Cb 0.28 0.00 -0.11 0.00 -0.56 0.00 0.00 39.33 38.94 1nbu h ASP 86 CO 0.00 0.00 0.57 -0.62 -1.57 0.00 0.00 179.24 177.62 1nbu s ASP 87 N -4.87 6.47 0.00 6.45 -1.08 -0.89 -4.92 116.67 117.83 1nbu s ASP 87 Ca -0.02 0.04 0.21 0.00 -0.52 0.00 0.00 52.55 52.26 1nbu s ASP 87 Cb 0.10 -2.44 1.26 0.00 -1.46 0.00 0.00 42.92 40.38 1nbu s ASP 87 CO 0.39 -1.07 1.64 0.00 0.52 0.00 0.00 175.17 176.65 1nbu n GLN 88 N 7.19 0.66 0.17 4.34 1.13 -1.26 -1.64 117.38 127.97 1nbu n GLN 88 Ca 0.05 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.21 1nbu n GLN 88 Cb 0.48 -1.50 0.09 0.00 0.11 0.00 0.00 30.24 29.43 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 -6.44 -1.09 3.08 -1.91 -3.45 114.38 104.57 1nbu h ARG 89 Ca 0.00 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.51 1nbu h ARG 89 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1nbu h ARG 89 CO 0.00 0.11 0.83 0.08 -1.07 0.00 0.00 179.97 179.91 1nbu s VAL 90 N -3.18 3.49 0.03 2.04 1.01 -0.65 -4.54 120.40 118.61 1nbu s VAL 90 Ca 0.04 0.96 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 1nbu s VAL 90 Cb 0.07 -3.61 -0.28 0.00 0.00 0.00 0.00 36.38 32.55 1nbu s VAL 90 CO 0.72 0.02 1.08 0.45 0.00 0.00 0.00 175.10 177.37 1nbu h HIS 91 N 7.60 0.89 -2.16 5.22 3.86 -1.12 -3.47 115.15 125.98 1nbu h HIS 91 Ca -0.40 -0.56 0.14 0.00 -1.16 0.00 0.00 60.37 58.39 1nbu h HIS 91 Cb 1.19 -0.07 -0.15 0.00 1.06 0.00 0.00 27.41 29.44 1nbu h HIS 91 CO 0.73 1.40 0.54 0.00 0.86 0.00 0.00 177.93 181.46 1nbu s ALA 92 N -2.97 -1.85 -0.10 2.45 0.00 -1.21 -2.82 121.76 115.27 1nbu s ALA 92 Ca -0.11 1.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.72 1nbu s ALA 92 Cb 0.05 0.36 0.03 0.00 0.00 0.00 0.00 23.12 23.56 1nbu s ALA 92 CO 0.90 -0.71 0.38 0.54 0.00 0.00 0.00 175.76 176.87 1nbu s VAL 93 N -3.03 0.02 -0.09 0.00 0.11 -0.42 -1.03 120.40 115.96 1nbu s VAL 93 Ca 0.06 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1nbu s VAL 93 Cb -0.01 -0.59 0.01 0.00 -1.53 0.00 0.00 36.38 34.25 1nbu s VAL 93 CO -0.07 -0.08 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.82 1nbu s GLU 94 N -0.36 2.38 -0.19 1.54 2.02 -0.58 -1.94 118.70 121.58 1nbu s GLU 94 Ca -0.05 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1nbu s GLU 94 Cb -0.03 -1.87 0.01 0.00 0.10 0.00 0.00 34.13 32.33 1nbu s GLU 94 CO 0.02 0.09 -0.14 0.08 0.02 0.00 0.00 175.26 175.33 1nbu s VAL 95 N 0.54 2.60 -0.22 2.63 1.01 0.16 -0.85 120.40 126.28 1nbu s VAL 95 Ca -0.16 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 1nbu s VAL 95 Cb -0.17 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 1nbu s VAL 95 CO 0.06 0.50 0.07 0.00 0.00 0.00 0.00 175.10 175.72 1nbu s ALA 96 N 1.23 3.28 -0.32 5.51 0.00 0.66 -0.75 121.76 131.36 1nbu s ALA 96 Ca 0.03 -0.94 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 1nbu s ALA 96 Cb -0.14 -2.01 0.02 0.00 0.00 0.00 0.00 23.12 20.99 1nbu s ALA 96 CO -0.07 -0.16 0.11 0.08 0.00 0.00 0.00 175.76 175.72 1nbu s VAL 97 N 1.01 4.04 -0.14 0.00 1.01 0.44 -1.29 120.40 125.47 1nbu s VAL 97 Ca 0.04 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.13 1nbu s VAL 97 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1nbu s VAL 97 CO 0.03 -0.03 0.15 -1.00 0.00 0.00 0.00 175.10 174.25 1nbu s HIS 98 N 1.49 3.55 -0.64 5.22 3.76 0.74 -1.42 115.29 127.99 1nbu s HIS 98 Ca 0.02 0.50 0.06 0.00 -0.15 0.00 0.00 55.06 55.48 1nbu s HIS 98 Cb -0.18 -2.02 0.22 0.00 1.11 0.00 0.00 32.58 31.72 1nbu s HIS 98 CO 0.03 0.61 0.65 1.17 -0.85 0.00 0.00 174.74 176.36 1nbu n LYS 99 N 2.40 2.18 0.28 1.40 4.81 0.48 -1.54 118.16 128.17 1nbu n LYS 99 Ca -0.19 -4.52 0.18 0.00 -0.87 0.00 0.00 58.31 52.92 1nbu n LYS 99 Cb 0.54 -2.20 0.79 0.00 0.02 0.00 0.00 35.03 34.18 1nbu n LYS 99 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1nbu h PRO 100 N 4.56 0.00 -0.51 1.64 0.13 -1.76 -1.74 132.00 134.32 1nbu h PRO 100 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1nbu h PRO 100 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1nbu h PRO 100 CO 0.77 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.58 1nbu n GLN 101 N -3.00 4.35 -1.54 0.86 6.02 -1.26 -4.78 117.38 118.03 1nbu n GLN 101 Ca -0.00 -3.06 -0.57 0.00 -0.01 0.00 0.00 57.00 53.36 1nbu n GLN 101 Cb 0.24 -2.13 -0.07 0.00 1.02 0.00 0.00 30.24 29.29 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 0.41 -2.60 -1.71 -1.58 0.00 -0.65 -4.80 120.51 109.58 1nbu n ALA 102 Ca 0.26 0.56 -0.41 0.00 0.00 0.00 0.00 53.44 53.86 1nbu n ALA 102 Cb 1.10 -1.88 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 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 2.00 3.49 -4.15 0.00 -0.04 -1.26 -4.90 135.00 130.15 1nbu n PRO 103 Ca 0.20 -2.72 -0.23 0.00 -0.04 0.00 0.00 63.50 60.70 1nbu n PRO 103 Cb 0.11 -2.98 -0.05 0.00 -0.04 0.00 0.00 33.50 30.54 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 1.84 4.22 -1.26 0.52 -4.36 -1.26 -5.04 121.20 115.85 1nbu s ILE 104 Ca 0.55 -1.42 0.29 0.00 -0.26 0.00 0.00 60.65 59.81 1nbu s ILE 104 Cb 0.15 -3.23 0.34 0.00 1.25 0.00 0.00 42.46 40.97 1nbu s ILE 104 CO -0.07 -0.28 1.88 -0.81 0.24 0.00 0.00 174.94 175.91 1nbu n PRO 105 N -0.84 0.27 -1.81 0.37 -0.04 -1.26 -4.86 135.00 126.82 1nbu n PRO 105 Ca -0.08 -0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 1nbu n PRO 105 Cb 0.57 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.60 1nbu n PRO 105 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1nbu s GLN 106 N -2.77 2.34 -0.24 0.54 1.11 -1.26 -5.04 119.66 114.36 1nbu s GLN 106 Ca 0.21 0.37 -0.11 0.00 0.01 0.00 0.00 55.36 55.83 1nbu s GLN 106 Cb 0.19 -1.97 -0.05 0.00 -1.01 0.00 0.00 33.01 30.18 1nbu s GLN 106 CO 0.52 -1.38 0.20 0.99 0.01 0.00 0.00 175.29 175.63 1nbu s THR 107 N -3.39 5.33 0.10 -0.19 2.01 -1.26 -5.06 115.64 113.18 1nbu s THR 107 Ca 0.60 0.27 -0.14 0.00 0.31 0.00 0.00 61.69 62.74 1nbu s THR 107 Cb -0.12 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.87 1nbu s THR 107 CO 0.51 0.32 0.33 0.72 -0.69 0.00 0.00 174.62 175.82 1nbu s PHE 108 N 1.13 -0.09 -0.07 4.92 -0.12 -1.26 -5.08 117.98 117.41 1nbu s PHE 108 Ca 0.09 -0.23 -0.21 0.00 -0.05 0.00 0.00 56.93 56.53 1nbu s PHE 108 Cb -0.14 0.15 -0.30 0.00 -0.63 0.00 0.00 43.02 42.10 1nbu s PHE 108 CO 0.05 -0.63 0.78 -0.44 -0.05 0.00 0.00 175.22 174.93 1nbu h ASP 109 N 2.58 0.40 -4.79 1.98 3.32 -1.97 -3.49 116.42 114.44 1nbu h ASP 109 Ca -0.34 -0.92 -0.08 0.00 0.02 0.00 0.00 57.03 55.72 1nbu h ASP 109 Cb 1.23 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.45 1nbu h ASP 109 CO 0.49 1.43 0.04 -0.62 -1.72 0.00 0.00 179.24 178.87 1nbu s ASP 110 N -6.93 -0.55 0.02 6.45 3.68 -1.26 -4.81 116.67 113.27 1nbu s ASP 110 Ca -0.16 0.68 0.03 0.00 2.13 0.00 0.00 52.55 55.22 1nbu s ASP 110 Cb 0.02 0.63 -0.01 0.00 -1.45 0.00 0.00 42.92 42.10 1nbu s ASP 110 CO 0.80 -0.49 -0.09 0.54 0.13 0.00 0.00 175.17 176.06 1nbu s VAL 111 N -0.92 0.69 0.12 1.11 0.11 -1.26 -5.02 120.40 115.24 1nbu s VAL 111 Ca -0.09 -0.66 -0.23 0.00 -2.93 0.00 0.00 61.98 58.07 1nbu s VAL 111 Cb -0.02 -0.63 0.06 0.00 -1.53 0.00 0.00 36.38 34.26 1nbu s VAL 111 CO 0.07 -0.01 0.56 0.00 -3.33 0.00 0.00 175.10 172.39 1nbu s ALA 112 N -0.62 -1.47 0.18 1.54 0.00 -1.26 -0.39 121.76 119.73 1nbu s ALA 112 Ca -0.01 0.49 0.11 0.00 0.00 0.00 0.00 51.96 52.56 1nbu s ALA 112 Cb -0.06 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1nbu s ALA 112 CO 0.00 -0.68 -0.25 0.14 0.00 0.00 0.00 175.76 174.98 1nbu s VAL 113 N -3.36 2.32 -0.15 0.00 -7.23 -0.50 -4.97 120.40 106.51 1nbu s VAL 113 Ca -0.01 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 1nbu s VAL 113 Cb -0.00 -2.09 0.02 0.00 0.56 0.00 0.00 36.38 34.87 1nbu s VAL 113 CO -0.09 -0.08 -0.15 -0.69 -0.31 0.00 0.00 175.10 173.79 1nbu s VAL 114 N -1.54 1.61 -0.20 1.32 1.01 -1.26 -0.42 120.40 120.92 1nbu s VAL 114 Ca 0.19 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 1nbu s VAL 114 Cb -0.08 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 1nbu s VAL 114 CO 0.09 0.47 0.02 -0.63 0.00 0.00 0.00 175.10 175.04 1nbu s ILE 115 N 1.47 4.14 0.09 2.22 -1.09 0.07 -4.93 121.20 123.17 1nbu s ILE 115 Ca 0.05 -0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.29 1nbu s ILE 115 Cb -0.13 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1nbu s ILE 115 CO -0.11 0.42 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.33 1nbu s ARG 116 N 0.96 2.20 -0.04 2.79 3.52 -1.26 -0.66 118.95 126.46 1nbu s ARG 116 Ca 0.02 -0.98 -0.08 0.00 -0.13 0.00 0.00 55.73 54.56 1nbu s ARG 116 Cb -0.14 -2.34 0.01 0.00 -1.56 0.00 0.00 34.95 30.92 1nbu s ARG 116 CO 0.02 0.52 0.19 1.03 -0.81 0.00 0.00 175.30 176.25 1nbu s ARG 117 N -2.13 0.40 0.33 5.12 1.81 -0.82 -5.00 118.95 118.66 1nbu s ARG 117 Ca 0.21 -0.06 -0.05 0.00 -1.72 0.00 0.00 55.73 54.12 1nbu s ARG 117 Cb -0.11 0.17 0.02 0.00 -0.45 0.00 0.00 34.95 34.58 1nbu s ARG 117 CO 0.13 -0.08 0.52 -1.13 -0.68 0.00 0.00 175.30 174.06 1nbu n SER 118 N 2.12 -1.46 -0.62 0.23 3.41 -1.26 -1.30 113.62 114.74 1nbu n SER 118 Ca -0.18 -2.68 0.08 0.00 -0.26 0.00 0.00 58.87 55.83 1nbu n SER 118 Cb 0.57 2.63 0.06 0.00 -0.26 0.00 0.00 64.21 67.21 1nbu n SER 118 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42