#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 2.83 -3.71 0.00 8.00 -1.26 -4.97 116.55 117.43 1nbu n ASP 3 Ca 0.00 1.10 -0.10 0.00 0.71 0.00 0.00 54.79 56.50 1nbu n ASP 3 Cb 0.00 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 39.66 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 0.56 1.27 -0.11 -1.24 1.70 -1.26 -2.68 118.95 117.18 1nbu s ARG 4 Ca 0.77 -0.83 -0.00 0.00 -0.47 0.00 0.00 55.73 55.20 1nbu s ARG 4 Cb -0.71 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.15 1nbu s ARG 4 CO 0.42 -0.52 -0.10 0.42 -1.08 0.00 0.00 175.30 174.44 1nbu s ILE 5 N -3.86 3.41 -0.13 4.99 1.01 0.38 -4.94 121.20 122.07 1nbu s ILE 5 Ca 0.08 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.17 1nbu s ILE 5 Cb 0.00 -2.43 0.02 0.00 0.01 0.00 0.00 42.46 40.07 1nbu s ILE 5 CO -0.06 0.54 -0.11 -1.61 0.00 0.00 0.00 174.94 173.71 1nbu s GLU 6 N -0.08 1.91 -0.15 2.79 2.02 -1.26 -0.29 118.70 123.64 1nbu s GLU 6 Ca -0.00 -0.41 -0.05 0.00 0.02 0.00 0.00 54.97 54.53 1nbu s GLU 6 Cb -0.14 -1.83 -0.03 0.00 0.10 0.00 0.00 34.13 32.23 1nbu s GLU 6 CO 0.03 -0.24 0.01 -1.17 0.02 0.00 0.00 175.26 173.91 1nbu s LEU 7 N 1.55 3.53 -0.02 1.80 2.96 0.48 -5.00 118.68 123.98 1nbu s LEU 7 Ca 0.04 -0.00 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 1nbu s LEU 7 Cb -0.13 -1.86 -0.01 0.00 0.50 0.00 0.00 46.19 44.69 1nbu s LEU 7 CO -0.09 0.21 -0.13 -0.13 -1.32 0.00 0.00 176.35 174.89 1nbu s ARG 8 N 0.16 1.20 -0.55 1.98 1.81 -1.26 -1.20 118.95 121.09 1nbu s ARG 8 Ca 0.01 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.55 1nbu s ARG 8 Cb -0.13 -1.12 0.00 0.00 -0.45 0.00 0.00 34.95 33.25 1nbu s ARG 8 CO 0.02 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.30 1nbu n GLY 9 N 2.93 0.46 3.63 -3.53 0.00 -1.06 -4.95 105.19 102.68 1nbu n GLY 9 Ca -0.16 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.48 4.01 -0.24 0.99 2.96 -0.12 -4.72 118.68 120.09 1nbu s LEU 10 Ca 0.00 2.28 -0.06 0.00 -0.22 0.00 0.00 54.13 56.13 1nbu s LEU 10 Cb 0.00 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.15 1nbu s LEU 10 CO 0.00 -1.41 0.02 -0.89 -1.32 0.00 0.00 176.35 172.75 1nbu s THR 11 N 5.97 3.91 -0.07 3.68 2.01 -1.26 -0.19 115.64 129.69 1nbu s THR 11 Ca 0.91 -0.31 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 1nbu s THR 11 Cb -0.37 -2.81 0.04 0.00 0.01 0.00 0.00 72.50 69.36 1nbu s THR 11 CO 0.38 0.37 0.16 -0.69 -0.69 0.00 0.00 174.62 174.15 1nbu s VAL 12 N 1.56 -0.04 0.09 3.82 1.01 -0.46 -4.99 120.40 121.39 1nbu s VAL 12 Ca 0.06 0.16 -0.31 0.00 0.00 0.00 0.00 61.98 61.89 1nbu s VAL 12 Cb -0.15 -0.26 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 1nbu s VAL 12 CO 0.01 0.07 1.28 -2.28 0.00 0.00 0.00 175.10 174.17 1nbu s HIS 13 N 1.11 3.36 0.14 5.22 2.46 -1.26 -0.58 115.29 125.73 1nbu s HIS 13 Ca -0.08 1.16 -0.00 0.00 0.47 0.00 0.00 55.06 56.60 1nbu s HIS 13 Cb -0.11 -3.53 0.00 0.00 -0.13 0.00 0.00 32.58 28.82 1nbu s HIS 13 CO -0.06 -1.73 0.19 0.41 -2.47 0.00 0.00 174.74 171.08 1nbu n GLY 14 N 3.27 2.78 1.09 1.59 0.00 -0.22 -4.42 105.19 109.28 1nbu n GLY 14 Ca 0.10 -1.49 0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.23 0.57 -2.01 1.61 3.00 -1.26 -0.22 116.66 118.11 1nbu n ARG 15 Ca 0.00 -2.39 -0.33 0.00 -0.01 0.00 0.00 57.85 55.12 1nbu n ARG 15 Cb 0.24 -0.62 0.02 0.00 0.00 0.00 0.00 32.46 32.10 1nbu n ARG 15 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 1nbu s HIS 16 N -1.17 2.76 0.00 -1.55 3.76 -1.26 -4.50 115.29 113.33 1nbu s HIS 16 Ca 0.33 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.78 1nbu s HIS 16 Cb 0.36 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.90 1nbu s HIS 16 CO -0.12 -1.44 0.00 0.41 -0.85 0.00 0.00 174.74 172.74 1nbu n GLY 17 N -0.47 4.01 0.21 -2.22 0.00 -0.25 -4.83 105.19 101.64 1nbu n GLY 17 Ca 0.10 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.88 1nbu n GLY 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nbu h VAL 18 N 0.00 1.10 -3.33 1.61 -1.51 -1.82 -3.39 116.25 108.92 1nbu h VAL 18 Ca 0.00 -1.02 -0.66 0.00 -1.23 0.00 0.00 66.70 63.79 1nbu h VAL 18 Cb 0.00 1.57 -0.12 0.00 -2.13 0.00 0.00 31.29 30.61 1nbu h VAL 18 CO 0.00 0.28 -0.64 0.00 -1.23 0.00 0.00 177.57 175.98 1nbu s ALA 19 N -4.26 3.33 0.25 5.19 0.00 -1.26 -4.99 121.76 120.02 1nbu s ALA 19 Ca -0.03 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 50.87 1nbu s ALA 19 Cb 0.14 -1.30 0.49 0.00 0.00 0.00 0.00 23.12 22.46 1nbu s ALA 19 CO 0.69 0.68 1.67 0.00 0.00 0.00 0.00 175.76 178.81 1nbu h ALA 20 N 3.85 0.97 -0.36 0.00 0.00 -2.01 -0.49 119.26 121.22 1nbu h ALA 20 Ca -0.48 0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.73 1nbu h ALA 20 Cb 1.17 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1nbu h ALA 20 CO 0.59 -0.38 0.29 1.12 0.00 0.00 0.00 179.25 180.88 1nbu h HIS 21 N 0.23 0.00 0.00 0.00 -0.00 -1.97 0.24 115.15 113.65 1nbu h HIS 21 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.80 1nbu h HIS 21 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.18 1nbu h HIS 21 CO -0.29 0.00 0.00 0.93 -0.00 0.00 0.00 177.93 178.57 1nbu h GLU 22 N 0.00 0.00 -0.03 5.12 5.08 -1.46 -3.14 114.58 120.16 1nbu h GLU 22 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nbu h GLU 22 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1nbu h GLU 22 CO -0.00 0.00 -0.05 0.54 -1.00 0.00 0.00 179.01 178.50 1nbu n ARG 23 N -2.57 2.14 0.07 2.33 1.74 0.84 -3.04 116.66 118.18 1nbu n ARG 23 Ca 0.04 -1.73 -0.13 0.00 -0.77 0.00 0.00 57.85 55.26 1nbu n ARG 23 Cb 0.41 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 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 4.22 1.01 0.00 1.55 2.07 -1.47 -3.38 116.25 120.25 1nbu h VAL 24 Ca 0.00 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.80 1nbu h VAL 24 Cb 0.92 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1nbu h VAL 24 CO 0.00 0.16 -1.36 0.00 0.02 0.00 0.00 177.57 176.39 1nbu n ALA 25 N -2.35 2.13 -0.17 1.67 0.00 -1.26 -5.13 120.51 115.40 1nbu n ALA 25 Ca -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1nbu n ALA 25 Cb 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 2.25 -1.71 3.85 0.00 0.00 -1.17 -4.98 105.19 103.43 1nbu n GLY 26 Ca -0.04 -1.33 -0.05 0.00 0.00 0.00 0.00 46.02 44.61 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 1.54 -0.10 1.61 -2.07 0.69 -4.98 119.66 116.35 1nbu s GLN 27 Ca 0.00 -0.98 -0.30 0.00 -1.82 0.00 0.00 55.36 52.27 1nbu s GLN 27 Cb 0.00 0.44 -0.01 0.00 -1.09 0.00 0.00 33.01 32.35 1nbu s GLN 27 CO 0.00 -0.72 1.02 0.50 -1.32 0.00 0.00 175.29 174.77 1nbu s ARG 28 N -2.33 4.41 0.05 9.60 3.52 -1.26 -1.06 118.95 131.89 1nbu s ARG 28 Ca 0.19 1.41 0.05 0.00 -0.13 0.00 0.00 55.73 57.26 1nbu s ARG 28 Cb -0.03 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1nbu s ARG 28 CO 0.07 -0.33 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.09 1nbu s PHE 29 N 2.06 2.85 -0.06 5.12 0.40 0.25 -4.30 117.98 124.30 1nbu s PHE 29 Ca 0.49 -0.08 0.03 0.00 -0.60 0.00 0.00 56.93 56.76 1nbu s PHE 29 Cb -0.19 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1nbu s PHE 29 CO 0.18 0.41 -0.13 0.08 0.70 0.00 0.00 175.22 176.46 1nbu s VAL 30 N -1.12 1.18 -0.06 -0.44 1.01 -0.76 -1.35 120.40 118.86 1nbu s VAL 30 Ca 0.20 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1nbu s VAL 30 Cb -0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 1nbu s VAL 30 CO 0.11 0.36 -0.23 -0.63 0.00 0.00 0.00 175.10 174.72 1nbu s ILE 31 N 0.54 2.25 0.01 2.22 -1.09 0.73 -0.39 121.20 125.46 1nbu s ILE 31 Ca -0.13 -1.00 0.06 0.00 -2.23 0.00 0.00 60.65 57.36 1nbu s ILE 31 Cb -0.15 -1.83 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 1nbu s ILE 31 CO 0.03 0.57 -0.19 -1.81 -1.23 0.00 0.00 174.94 172.31 1nbu s ASP 32 N -0.21 3.68 -0.02 3.58 1.01 -0.57 -0.94 116.67 123.20 1nbu s ASP 32 Ca -0.02 -0.39 0.01 0.00 0.71 0.00 0.00 52.55 52.87 1nbu s ASP 32 Cb -0.13 -0.60 0.01 0.00 1.01 0.00 0.00 42.92 43.21 1nbu s ASP 32 CO 0.03 0.29 -0.03 -0.69 0.21 0.00 0.00 175.17 174.99 1nbu s VAL 33 N -0.81 0.31 -0.09 -1.27 1.01 -0.34 -0.36 120.40 118.85 1nbu s VAL 33 Ca 0.13 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1nbu s VAL 33 Cb -0.10 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 35.95 1nbu s VAL 33 CO 0.03 0.14 -0.18 -0.89 0.00 0.00 0.00 175.10 174.20 1nbu s THR 34 N 0.54 1.64 -0.21 3.92 2.01 0.30 -0.39 115.64 123.45 1nbu s THR 34 Ca -0.06 -0.76 -0.00 0.00 0.31 0.00 0.00 61.69 61.18 1nbu s THR 34 Cb -0.09 -1.46 0.02 0.00 0.01 0.00 0.00 72.50 70.98 1nbu s THR 34 CO -0.01 0.47 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.58 1nbu s VAL 35 N 0.64 2.53 -0.24 3.82 1.01 0.61 -1.28 120.40 127.49 1nbu s VAL 35 Ca -0.14 -0.96 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1nbu s VAL 35 Cb -0.16 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1nbu s VAL 35 CO 0.04 0.37 0.55 0.26 0.00 0.00 0.00 175.10 176.31 1nbu s TRP 36 N 1.31 3.30 -0.18 5.22 0.51 -0.13 -0.47 118.94 128.50 1nbu s TRP 36 Ca 0.02 0.73 -0.28 0.00 -2.12 0.00 0.00 56.10 54.46 1nbu s TRP 36 Cb -0.15 -2.74 0.08 0.00 -0.81 0.00 0.00 33.47 29.85 1nbu s TRP 36 CO -0.08 -0.24 0.74 -1.50 -0.51 0.00 0.00 176.95 175.36 1nbu s ILE 37 N 2.17 0.00 -0.02 2.03 2.07 -1.09 -0.35 121.20 126.02 1nbu s ILE 37 Ca 0.23 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.17 1nbu s ILE 37 Cb -0.16 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.38 1nbu s ILE 37 CO 0.09 0.00 1.45 -0.62 -1.91 0.00 0.00 174.94 173.95 1nbu s ASP 38 N -0.30 6.81 0.00 4.50 -1.08 -1.26 -4.28 116.67 121.06 1nbu s ASP 38 Ca -0.04 2.12 0.15 0.00 -0.52 0.00 0.00 52.55 54.26 1nbu s ASP 38 Cb -0.03 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 39.06 1nbu s ASP 38 CO 0.04 -0.77 1.06 0.18 0.52 0.00 0.00 175.17 176.20 1nbu n LEU 39 N 5.77 2.47 0.02 -1.34 4.77 -1.26 -4.62 117.00 122.82 1nbu n LEU 39 Ca 0.14 -1.19 -0.06 0.00 -0.03 0.00 0.00 56.01 54.87 1nbu n LEU 39 Cb 0.43 -0.06 0.13 0.00 -2.33 0.00 0.00 43.42 41.60 1nbu n LEU 39 CO 0.59 0.49 0.59 0.00 -1.33 0.00 0.00 177.39 177.73 1nbu h ALA 40 N 2.98 0.91 -0.77 -1.18 0.00 -1.94 -2.23 119.26 117.02 1nbu h ALA 40 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1nbu h ALA 40 Cb 0.67 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1nbu h ALA 40 CO 0.00 0.64 0.37 1.49 0.00 0.00 0.00 179.25 181.75 1nbu h GLU 41 N 0.38 1.12 -0.21 0.00 4.57 -1.89 -1.44 114.58 117.11 1nbu h GLU 41 Ca 0.03 -0.17 -0.11 0.00 -1.18 0.00 0.00 59.36 57.94 1nbu h GLU 41 Cb 0.90 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1nbu h GLU 41 CO 0.08 0.87 -0.33 0.00 -1.18 0.00 0.00 179.01 178.45 1nbu h ALA 42 N 1.19 1.03 -0.01 2.92 0.00 -1.66 -0.07 119.26 122.66 1nbu h ALA 42 Ca 0.26 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1nbu h ALA 42 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nbu h ALA 42 CO -0.03 0.59 -0.49 0.00 0.00 0.00 0.00 179.25 179.31 1nbu h ALA 43 N 1.27 1.15 -0.13 0.00 0.00 -1.16 0.31 119.26 120.69 1nbu h ALA 43 Ca 0.05 -0.45 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 1nbu h ALA 43 Cb 0.77 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1nbu h ALA 43 CO 0.06 0.62 -0.66 -0.91 0.00 0.00 0.00 179.25 178.37 1nbu h ASN 44 N 0.03 0.59 0.18 0.00 -0.26 -0.37 -3.34 115.58 112.41 1nbu h ASN 44 Ca -0.00 -0.36 -0.12 0.00 -0.56 0.00 0.00 56.30 55.26 1nbu h ASN 44 Cb 0.89 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.95 1nbu h ASN 44 CO 0.07 1.09 -1.94 -1.54 -1.06 0.00 0.00 177.43 174.05 1nbu n SER 45 N -3.90 0.19 -2.32 5.81 3.41 -0.12 -4.96 113.62 111.72 1nbu n SER 45 Ca -0.04 0.08 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 1nbu n SER 45 Cb 0.67 1.36 -0.02 0.00 -0.26 0.00 0.00 64.21 65.97 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 -2.51 -5.33 -4.45 4.04 2.03 0.11 -4.97 116.55 105.48 1nbu n ASP 46 Ca -0.12 0.09 -0.39 0.00 0.52 0.00 0.00 54.79 54.89 1nbu n ASP 46 Cb 0.76 -4.48 -0.12 0.00 -0.72 0.00 0.00 41.12 36.56 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 -2.10 5.58 0.37 1.67 -1.08 -1.25 -5.00 116.67 114.86 1nbu s ASP 47 Ca 0.00 -0.51 0.14 0.00 -0.52 0.00 0.00 52.55 51.67 1nbu s ASP 47 Cb 0.00 -2.01 1.00 0.00 -1.46 0.00 0.00 42.92 40.44 1nbu s ASP 47 CO 0.00 -0.19 1.77 0.25 0.52 0.00 0.00 175.17 177.52 1nbu h LEU 48 N 8.36 0.55 -2.83 -1.34 6.46 -1.93 0.18 115.31 124.76 1nbu h LEU 48 Ca -0.32 0.09 -0.00 0.00 -0.12 0.00 0.00 57.88 57.53 1nbu h LEU 48 Cb 1.15 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.08 1nbu h LEU 48 CO 0.61 0.13 -0.00 0.00 -0.62 0.00 0.00 178.44 178.57 1nbu h ALA 49 N 1.64 1.03 -0.08 1.25 0.00 -2.00 -0.45 119.26 120.65 1nbu h ALA 49 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 1nbu h ALA 49 Cb 1.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1nbu h ALA 49 CO -0.33 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 178.67 1nbu n ASP 50 N -3.13 1.37 -3.09 0.00 8.00 0.63 -4.91 116.55 115.42 1nbu n ASP 50 Ca -0.03 -1.56 -0.17 0.00 0.71 0.00 0.00 54.79 53.74 1nbu n ASP 50 Cb 0.09 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 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 0.10 0.00 -3.31 -3.53 5.66 -0.18 -4.18 114.28 108.84 1nbu n THR 51 Ca 0.18 -1.66 -0.42 0.00 -3.05 0.00 0.00 64.05 59.10 1nbu n THR 51 Cb 0.31 0.62 -0.08 0.00 -1.55 0.00 0.00 70.33 69.62 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 -2.64 3.18 -0.19 1.09 6.14 -1.26 -4.99 117.35 118.67 1nbu s TYR 52 Ca 0.16 -0.06 -0.29 0.00 0.64 0.00 0.00 57.07 57.51 1nbu s TYR 52 Cb 0.01 -2.86 -0.05 0.00 0.42 0.00 0.00 41.96 39.48 1nbu s TYR 52 CO 0.11 -0.57 1.95 0.34 0.64 0.00 0.00 175.55 178.01 1nbu s ASP 53 N 1.78 5.94 0.47 4.32 -1.08 -1.26 -4.86 116.67 121.99 1nbu s ASP 53 Ca 0.15 1.86 0.19 0.00 -0.52 0.00 0.00 52.55 54.23 1nbu s ASP 53 Cb -0.16 -2.52 1.15 0.00 -1.46 0.00 0.00 42.92 39.93 1nbu s ASP 53 CO 0.13 -1.57 2.01 0.10 0.52 0.00 0.00 175.17 176.36 1nbu h TYR 54 N 12.77 0.00 -0.26 -5.34 -0.00 -1.99 -2.11 116.97 120.04 1nbu h TYR 54 Ca -0.39 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.32 1nbu h TYR 54 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.92 1nbu h TYR 54 CO 0.94 0.17 0.10 0.28 -0.00 0.00 0.00 178.16 179.65 1nbu h VAL 55 N 0.00 1.18 0.00 -0.90 2.07 -2.00 -0.31 116.25 116.29 1nbu h VAL 55 Ca -0.00 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 1nbu h VAL 55 Cb 0.35 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1nbu h VAL 55 CO 0.02 0.19 -0.63 0.03 0.02 0.00 0.00 177.57 177.20 1nbu h ARG 56 N 0.27 0.00 0.10 1.57 3.08 -1.90 -1.73 114.38 115.77 1nbu h ARG 56 Ca 0.09 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.15 1nbu h ARG 56 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1nbu h ARG 56 CO -0.01 0.63 -0.14 1.25 -1.07 0.00 0.00 179.97 180.63 1nbu h LEU 57 N 0.00 -0.39 -0.78 3.04 6.46 -1.04 -1.82 115.31 120.78 1nbu h LEU 57 Ca -0.01 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.76 1nbu h LEU 57 Cb 1.21 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 41.25 1nbu h LEU 57 CO 0.08 -0.21 0.34 0.00 -0.62 0.00 0.00 178.44 178.03 1nbu h ALA 58 N 0.57 1.01 -0.17 1.25 0.00 -0.81 -1.91 119.26 119.19 1nbu h ALA 58 Ca 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1nbu h ALA 58 Cb 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nbu h ALA 58 CO -0.07 0.61 0.01 0.66 0.00 0.00 0.00 179.25 180.46 1nbu h SER 59 N 1.12 0.29 -0.44 0.00 4.64 -1.21 -1.45 113.55 116.50 1nbu h SER 59 Ca 0.26 -0.30 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1nbu h SER 59 Cb 0.18 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1nbu h SER 59 CO -0.03 0.51 0.08 -0.09 -0.87 0.00 0.00 176.83 176.43 1nbu h ARG 60 N 0.06 0.72 -0.58 4.77 9.65 -1.26 -0.81 114.38 126.93 1nbu h ARG 60 Ca 0.05 -0.19 0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1nbu h ARG 60 Cb 0.36 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 1nbu h ARG 60 CO 0.01 0.74 0.38 0.00 2.80 0.00 0.00 179.97 183.90 1nbu h ALA 61 N 0.94 0.73 -0.61 2.80 0.00 -1.27 -1.72 119.26 120.14 1nbu h ALA 61 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nbu h ALA 61 Cb 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1nbu h ALA 61 CO 0.01 0.15 0.25 0.00 0.00 0.00 0.00 179.25 179.66 1nbu h ALA 62 N 1.22 0.79 -0.89 0.00 0.00 -0.86 -1.80 119.26 117.71 1nbu h ALA 62 Ca 0.22 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1nbu h ALA 62 Cb -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 1nbu h ALA 62 CO -0.06 0.39 0.59 0.93 0.00 0.00 0.00 179.25 181.11 1nbu h GLU 63 N 0.84 1.17 -0.30 0.00 5.08 -0.89 -0.59 114.58 119.89 1nbu h GLU 63 Ca 0.20 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1nbu h GLU 63 Cb 0.19 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1nbu h GLU 63 CO -0.02 0.77 0.02 0.82 -1.00 0.00 0.00 179.01 179.61 1nbu h ILE 64 N 1.21 1.25 -0.36 3.13 2.04 -0.99 -1.76 117.51 122.03 1nbu h ILE 64 Ca 0.33 -0.87 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1nbu h ILE 64 Cb -0.13 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1nbu h ILE 64 CO -0.07 0.28 0.04 0.58 0.00 0.00 0.00 178.15 178.98 1nbu h VAL 65 N 0.32 1.19 -0.24 1.67 2.07 -0.81 -1.42 116.25 119.04 1nbu h VAL 65 Ca 0.09 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1nbu h VAL 65 Cb 0.39 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1nbu h VAL 65 CO 0.01 0.25 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1nbu n ALA 66 N -2.48 2.49 -1.57 1.67 0.00 -0.28 -4.51 120.51 115.85 1nbu n ALA 66 Ca 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1nbu n ALA 66 Cb 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 1.10 1.28 3.66 0.00 0.00 -0.54 -4.96 105.19 105.74 1nbu n GLY 67 Ca 0.14 -1.76 -0.46 0.00 0.00 0.00 0.00 46.02 43.94 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 0.00 2.01 -1.92 1.61 -0.02 -1.26 -4.82 135.00 130.60 1nbu n PRO 68 Ca 0.00 0.72 -0.40 0.00 -2.02 0.00 0.00 63.50 61.81 1nbu n PRO 68 Cb 0.00 -2.45 0.01 0.00 -0.02 0.00 0.00 33.50 31.03 1nbu n PRO 68 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1nbu s PRO 69 N 0.53 3.85 0.20 0.52 0.02 -1.26 -4.97 135.00 133.90 1nbu s PRO 69 Ca 0.77 2.30 0.10 0.00 0.02 0.00 0.00 61.00 64.19 1nbu s PRO 69 Cb -0.70 -2.73 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 1nbu s PRO 69 CO 0.42 -0.64 -0.12 1.03 -0.33 0.00 0.00 177.00 177.36 1nbu s ARG 70 N -2.32 1.96 0.08 5.54 1.81 -1.26 -4.98 118.95 119.77 1nbu s ARG 70 Ca 0.58 -1.38 -0.16 0.00 -1.72 0.00 0.00 55.73 53.05 1nbu s ARG 70 Cb -0.41 -2.06 -0.12 0.00 -0.45 0.00 0.00 34.95 31.90 1nbu s ARG 70 CO 0.53 0.41 1.35 0.87 -0.68 0.00 0.00 175.30 177.78 1nbu h LYS 71 N 2.77 0.61 -6.24 3.54 1.79 -1.94 -0.65 116.57 116.45 1nbu h LYS 71 Ca -0.46 -0.38 -0.68 0.00 -2.18 0.00 0.00 60.65 56.96 1nbu h LYS 71 Cb 1.22 0.04 -0.17 0.00 -1.58 0.00 0.00 32.23 31.73 1nbu h LYS 71 CO 0.54 0.99 -0.69 -0.51 -1.08 0.00 0.00 179.45 178.70 1nbu s LEU 72 N -8.85 3.21 0.51 2.94 1.43 -1.26 -2.97 118.68 113.69 1nbu s LEU 72 Ca -0.13 -0.10 0.32 0.00 -1.03 0.00 0.00 54.13 53.20 1nbu s LEU 72 Cb 0.07 -1.80 1.22 0.00 0.03 0.00 0.00 46.19 45.71 1nbu s LEU 72 CO 0.82 0.30 1.92 0.16 0.23 0.00 0.00 176.35 179.79 1nbu h ILE 73 N 3.86 0.00 -0.86 -0.59 3.07 -1.96 -2.46 117.51 118.58 1nbu h ILE 73 Ca -0.49 -0.54 0.13 0.00 1.55 0.00 0.00 64.86 65.51 1nbu h ILE 73 Cb 1.17 1.52 -0.09 0.00 -0.27 0.00 0.00 36.82 39.16 1nbu h ILE 73 CO 0.54 0.00 0.47 -0.33 -1.05 0.00 0.00 178.15 177.77 1nbu h GLU 74 N 0.00 0.69 -0.14 0.16 3.07 -1.95 -0.00 114.58 116.40 1nbu h GLU 74 Ca 0.00 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.63 1nbu h GLU 74 Cb 0.56 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1nbu h GLU 74 CO 0.00 0.45 -0.69 1.15 -1.40 0.00 0.00 179.01 178.53 1nbu h THR 75 N 0.71 1.33 -0.03 1.13 2.02 -1.86 -1.39 112.91 114.82 1nbu h THR 75 Ca 0.45 -1.98 -0.00 0.00 0.77 0.00 0.00 66.41 65.65 1nbu h THR 75 Cb 0.56 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1nbu h THR 75 CO -0.32 0.61 0.02 0.58 0.37 0.00 0.00 175.52 176.78 1nbu h VAL 76 N 0.42 1.06 -0.64 3.16 2.07 -1.48 -1.48 116.25 119.36 1nbu h VAL 76 Ca -0.02 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1nbu h VAL 76 Cb 1.27 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1nbu h VAL 76 CO 0.13 0.05 0.25 1.23 0.02 0.00 0.00 177.57 179.24 1nbu h GLY 77 N -0.01 1.01 1.01 2.17 0.00 -0.83 -1.79 103.07 104.63 1nbu h GLY 77 Ca 0.01 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.75 1nbu h GLY 77 CO -0.00 0.50 0.12 0.00 0.00 0.00 0.00 176.54 177.16 1nbu h ALA 78 N 1.35 0.76 -0.79 3.60 0.00 -1.11 -0.49 119.26 122.57 1nbu h ALA 78 Ca 0.22 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nbu h ALA 78 Cb 0.19 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1nbu h ALA 78 CO -0.02 0.49 0.33 1.49 0.00 0.00 0.00 179.25 181.54 1nbu h GLU 79 N 0.84 1.17 -0.17 0.00 4.81 -0.71 0.17 114.58 120.69 1nbu h GLU 79 Ca 0.18 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1nbu h GLU 79 Cb 0.38 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1nbu h GLU 79 CO 0.01 0.94 -0.06 0.82 -0.73 0.00 0.00 179.01 179.98 1nbu h ILE 80 N 1.14 1.30 -0.90 2.32 2.04 -1.09 -1.89 117.51 120.44 1nbu h ILE 80 Ca 0.27 -1.07 0.06 0.00 1.00 0.00 0.00 64.86 65.11 1nbu h ILE 80 Cb 0.19 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 1nbu h ILE 80 CO -0.03 0.32 0.57 0.00 0.00 0.00 0.00 178.15 179.01 1nbu h ALA 81 N 0.70 1.24 -0.17 1.87 0.00 -0.86 -0.88 119.26 121.15 1nbu h ALA 81 Ca 0.04 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1nbu h ALA 81 Cb 0.52 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1nbu h ALA 81 CO 0.02 0.35 -0.21 -0.44 0.00 0.00 0.00 179.25 178.97 1nbu h ASP 82 N 1.05 0.29 -0.30 0.00 3.32 -0.56 -1.71 116.42 118.51 1nbu h ASP 82 Ca 0.39 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 1nbu h ASP 82 Cb 0.14 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1nbu h ASP 82 CO -0.16 0.51 -0.04 -0.74 -1.72 0.00 0.00 179.24 177.09 1nbu h HIS 83 N 0.27 0.61 -0.77 4.55 -0.00 -0.40 -2.65 115.15 116.76 1nbu h HIS 83 Ca 0.05 -0.12 0.07 0.00 -0.00 0.00 0.00 60.37 60.36 1nbu h HIS 83 Cb 0.53 -0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 27.73 1nbu h HIS 83 CO 0.01 0.72 0.46 0.28 -0.00 0.00 0.00 177.93 179.40 1nbu h VAL 84 N 0.32 0.99 0.00 5.26 2.07 -0.87 -1.64 116.25 122.39 1nbu h VAL 84 Ca 0.08 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1nbu h VAL 84 Cb 0.51 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1nbu h VAL 84 CO 0.02 0.15 0.00 0.23 0.02 0.00 0.00 177.57 177.99 1nbu n MET 85 N -4.71 0.10 0.08 1.57 2.00 -0.67 -2.02 117.12 113.46 1nbu n MET 85 Ca 0.11 0.31 0.19 0.00 0.00 0.00 0.00 57.70 58.30 1nbu n MET 85 Cb 0.19 -1.67 0.73 0.00 0.00 0.00 0.00 33.22 32.46 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 -3.63 7.83 3.45 -0.95 -3.37 116.42 119.76 1nbu h ASP 86 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 1nbu h ASP 86 Cb 0.34 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.04 1nbu h ASP 86 CO 0.00 0.00 0.93 -0.62 -1.57 0.00 0.00 179.24 177.98 1nbu s ASP 87 N -5.98 6.65 0.32 6.45 -1.08 -0.86 -4.89 116.67 117.27 1nbu s ASP 87 Ca -0.05 0.57 0.26 0.00 -0.52 0.00 0.00 52.55 52.81 1nbu s ASP 87 Cb 0.18 -2.55 1.07 0.00 -1.46 0.00 0.00 42.92 40.16 1nbu s ASP 87 CO 0.65 -1.22 1.77 1.56 0.52 0.00 0.00 175.17 178.45 1nbu h GLN 88 N 9.21 0.00 0.00 4.34 1.08 -1.88 -1.76 115.11 126.09 1nbu h GLN 88 Ca -0.23 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 56.94 1nbu h GLN 88 Cb 1.06 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1nbu h GLN 88 CO 1.11 0.00 -0.13 0.00 -0.95 0.00 0.00 178.83 178.86 1nbu h ARG 89 N 0.00 0.00 -6.30 1.46 3.08 -1.91 -3.44 114.38 107.27 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 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1nbu h ARG 89 CO 0.00 0.13 0.80 0.08 -1.07 0.00 0.00 179.97 179.91 1nbu s VAL 90 N -3.78 4.05 0.03 2.04 1.01 -0.67 -4.64 120.40 118.44 1nbu s VAL 90 Ca -0.00 1.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.17 1nbu s VAL 90 Cb 0.10 -3.88 -0.22 0.00 0.00 0.00 0.00 36.38 32.38 1nbu s VAL 90 CO 0.59 -0.03 1.15 0.45 0.00 0.00 0.00 175.10 177.26 1nbu h HIS 91 N 7.80 0.74 -2.60 5.22 3.86 -1.00 -3.44 115.15 125.74 1nbu h HIS 91 Ca -0.34 -0.39 0.02 0.00 -1.16 0.00 0.00 60.37 58.50 1nbu h HIS 91 Cb 1.16 -0.09 -0.14 0.00 1.06 0.00 0.00 27.41 29.39 1nbu h HIS 91 CO 0.76 1.20 0.30 0.00 0.86 0.00 0.00 177.93 181.05 1nbu s ALA 92 N -3.33 -1.70 0.06 2.45 0.00 -1.19 -0.83 121.76 117.22 1nbu s ALA 92 Ca -0.12 0.80 0.02 0.00 0.00 0.00 0.00 51.96 52.66 1nbu s ALA 92 Cb 0.05 0.56 -0.03 0.00 0.00 0.00 0.00 23.12 23.70 1nbu s ALA 92 CO 0.85 -0.67 -0.07 0.54 0.00 0.00 0.00 175.76 176.41 1nbu s VAL 93 N -3.10 0.58 -0.06 0.00 0.11 0.03 -0.95 120.40 117.01 1nbu s VAL 93 Ca 0.00 -1.42 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1nbu s VAL 93 Cb -0.01 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 1nbu s VAL 93 CO -0.08 -0.59 -0.03 -1.61 -3.33 0.00 0.00 175.10 169.47 1nbu s GLU 94 N -2.49 0.75 -0.24 1.54 2.02 -0.40 -1.97 118.70 117.91 1nbu s GLU 94 Ca -0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 54.97 54.94 1nbu s GLU 94 Cb -0.04 -0.91 0.02 0.00 0.10 0.00 0.00 34.13 33.31 1nbu s GLU 94 CO -0.02 -0.18 -0.08 0.08 0.02 0.00 0.00 175.26 175.09 1nbu s VAL 95 N 1.37 2.79 -0.26 2.63 1.01 0.20 -0.54 120.40 127.60 1nbu s VAL 95 Ca -0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.80 1nbu s VAL 95 Cb -0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1nbu s VAL 95 CO -0.02 0.23 0.27 0.00 0.00 0.00 0.00 175.10 175.58 1nbu s ALA 96 N 1.32 3.56 -0.36 5.51 0.00 0.51 -1.33 121.76 130.97 1nbu s ALA 96 Ca 0.01 -0.87 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 1nbu s ALA 96 Cb -0.16 -2.54 0.04 0.00 0.00 0.00 0.00 23.12 20.45 1nbu s ALA 96 CO -0.05 -0.47 0.16 0.08 0.00 0.00 0.00 175.76 175.48 1nbu s VAL 97 N 1.63 4.17 0.05 0.00 1.01 0.13 -1.51 120.40 125.89 1nbu s VAL 97 Ca 0.12 -1.04 -0.16 0.00 0.00 0.00 0.00 61.98 60.90 1nbu s VAL 97 Cb -0.15 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.80 1nbu s VAL 97 CO 0.09 -0.24 0.48 -1.00 0.00 0.00 0.00 175.10 174.43 1nbu s HIS 98 N 1.47 3.72 -0.53 5.22 3.76 0.47 -1.67 115.29 127.73 1nbu s HIS 98 Ca 0.00 1.08 0.07 0.00 -0.15 0.00 0.00 55.06 56.06 1nbu s HIS 98 Cb -0.20 -2.36 0.25 0.00 1.11 0.00 0.00 32.58 31.39 1nbu s HIS 98 CO 0.04 0.58 0.66 1.17 -0.85 0.00 0.00 174.74 176.35 1nbu n LYS 99 N 1.55 1.80 0.13 1.40 4.81 -0.05 -1.82 118.16 125.98 1nbu n LYS 99 Ca -0.11 -4.08 0.11 0.00 -0.87 0.00 0.00 58.31 53.36 1nbu n LYS 99 Cb 0.52 -1.83 0.49 0.00 0.02 0.00 0.00 35.03 34.23 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 1.03 0.16 -0.54 1.64 -0.04 -1.26 -1.61 135.00 134.37 1nbu n PRO 100 Ca 0.26 0.47 0.08 0.00 -0.04 0.00 0.00 63.50 64.28 1nbu n PRO 100 Cb 0.46 -1.86 0.29 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.17 3.48 -1.61 0.54 6.02 -1.26 -4.78 117.38 117.59 1nbu n GLN 101 Ca 0.01 -2.85 -0.57 0.00 -0.01 0.00 0.00 57.00 53.59 1nbu n GLN 101 Cb 0.16 -1.89 -0.07 0.00 1.02 0.00 0.00 30.24 29.46 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 0.03 -1.48 -2.14 -1.58 0.00 -0.63 -4.79 120.51 109.92 1nbu n ALA 102 Ca 0.22 0.51 -0.30 0.00 0.00 0.00 0.00 53.44 53.87 1nbu n ALA 102 Cb 0.92 -2.02 -0.05 0.00 0.00 0.00 0.00 19.45 18.31 1nbu n ALA 102 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nbu s PRO 103 N 1.30 2.74 -0.06 0.00 0.04 -1.26 -4.88 135.00 132.88 1nbu s PRO 103 Ca 0.91 -0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.32 1nbu s PRO 103 Cb -1.11 -5.16 0.01 0.00 0.04 0.00 0.00 34.50 28.28 1nbu s PRO 103 CO 0.57 -3.30 -0.11 0.42 0.04 0.00 0.00 177.00 174.62 1nbu s ILE 104 N 9.35 1.01 -0.58 0.56 1.01 -1.26 -5.04 121.20 126.25 1nbu s ILE 104 Ca 0.66 -0.41 0.20 0.00 0.00 0.00 0.00 60.65 61.10 1nbu s ILE 104 Cb -0.04 -0.94 0.20 0.00 0.01 0.00 0.00 42.46 41.69 1nbu s ILE 104 CO 0.01 0.33 1.61 -0.81 0.00 0.00 0.00 174.94 176.08 1nbu n PRO 105 N 3.84 0.13 -1.91 2.79 -0.04 -1.26 -4.72 135.00 133.83 1nbu n PRO 105 Ca -0.23 0.42 -0.29 0.00 -0.04 0.00 0.00 63.50 63.35 1nbu n PRO 105 Cb 0.52 -1.78 0.07 0.00 -0.04 0.00 0.00 33.50 32.26 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 -3.26 2.36 -0.30 0.54 1.11 -1.26 -5.05 119.66 113.81 1nbu s GLN 106 Ca 0.04 0.25 -0.10 0.00 0.01 0.00 0.00 55.36 55.55 1nbu s GLN 106 Cb 0.08 -1.99 -0.02 0.00 -1.01 0.00 0.00 33.01 30.07 1nbu s GLN 106 CO 0.31 -1.33 0.17 0.99 0.01 0.00 0.00 175.29 175.44 1nbu s THR 107 N -3.47 4.89 0.18 -0.19 2.01 -1.26 -5.07 115.64 112.73 1nbu s THR 107 Ca 0.60 -0.18 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 1nbu s THR 107 Cb -0.11 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 68.98 1nbu s THR 107 CO 0.50 0.14 0.36 0.72 -0.69 0.00 0.00 174.62 175.65 1nbu s PHE 108 N 1.68 0.24 -0.05 4.92 -0.12 -1.26 -5.08 117.98 118.31 1nbu s PHE 108 Ca 0.06 -0.60 -0.11 0.00 -0.05 0.00 0.00 56.93 56.23 1nbu s PHE 108 Cb -0.17 0.09 -0.31 0.00 -0.63 0.00 0.00 43.02 42.01 1nbu s PHE 108 CO 0.08 -0.79 0.65 -0.44 -0.05 0.00 0.00 175.22 174.67 1nbu h ASP 109 N 2.43 0.61 -5.00 1.98 3.32 -1.97 -3.49 116.42 114.29 1nbu h ASP 109 Ca -0.30 -0.94 -0.06 0.00 0.02 0.00 0.00 57.03 55.75 1nbu h ASP 109 Cb 1.24 -0.20 -0.19 0.00 0.22 0.00 0.00 39.33 40.40 1nbu h ASP 109 CO 0.44 1.79 0.18 -0.62 -1.72 0.00 0.00 179.24 179.31 1nbu s ASP 110 N -7.29 -0.64 0.00 6.45 3.68 -1.26 -4.82 116.67 112.78 1nbu s ASP 110 Ca -0.16 0.68 0.01 0.00 2.13 0.00 0.00 52.55 55.21 1nbu s ASP 110 Cb 0.05 0.54 -0.01 0.00 -1.45 0.00 0.00 42.92 42.05 1nbu s ASP 110 CO 0.85 -0.62 -0.05 0.54 0.13 0.00 0.00 175.17 176.02 1nbu s VAL 111 N -1.28 0.38 0.14 1.11 0.11 -1.26 -5.03 120.40 114.58 1nbu s VAL 111 Ca -0.11 -0.29 -0.16 0.00 -2.93 0.00 0.00 61.98 58.48 1nbu s VAL 111 Cb -0.00 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1nbu s VAL 111 CO 0.09 0.05 0.43 0.00 -3.33 0.00 0.00 175.10 172.34 1nbu s ALA 112 N -0.25 -0.94 0.11 1.54 0.00 -1.26 -0.87 121.76 120.09 1nbu s ALA 112 Ca 0.00 -0.07 0.11 0.00 0.00 0.00 0.00 51.96 52.00 1nbu s ALA 112 Cb -0.03 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 1nbu s ALA 112 CO -0.00 -0.68 -0.27 0.14 0.00 0.00 0.00 175.76 174.95 1nbu s VAL 113 N -3.82 2.22 -0.19 0.00 -7.23 -0.67 -4.97 120.40 105.74 1nbu s VAL 113 Ca 0.04 -1.69 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1nbu s VAL 113 Cb 0.01 -1.96 0.03 0.00 0.56 0.00 0.00 36.38 35.03 1nbu s VAL 113 CO -0.10 0.14 -0.16 -0.69 -0.31 0.00 0.00 175.10 173.98 1nbu s VAL 114 N -1.02 1.94 -0.22 1.32 1.01 -1.26 0.18 120.40 122.36 1nbu s VAL 114 Ca 0.13 -1.04 -0.09 0.00 0.00 0.00 0.00 61.98 60.99 1nbu s VAL 114 Cb -0.10 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1nbu s VAL 114 CO 0.05 0.35 0.10 -0.63 0.00 0.00 0.00 175.10 174.98 1nbu s ILE 115 N 1.30 4.92 -0.12 2.22 -1.09 -0.44 -4.93 121.20 123.06 1nbu s ILE 115 Ca 0.01 0.02 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 1nbu s ILE 115 Cb -0.15 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 1nbu s ILE 115 CO -0.10 0.39 -0.07 -0.60 -1.23 0.00 0.00 174.94 173.33 1nbu s ARG 116 N 0.86 3.29 0.06 2.79 3.52 -1.26 -0.63 118.95 127.58 1nbu s ARG 116 Ca 0.05 -0.56 0.05 0.00 -0.13 0.00 0.00 55.73 55.14 1nbu s ARG 116 Cb -0.13 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.48 1nbu s ARG 116 CO 0.03 0.39 -0.14 1.03 -0.81 0.00 0.00 175.30 175.79 1nbu s ARG 117 N -0.06 0.85 -0.12 5.12 1.81 -0.83 -5.01 118.95 120.70 1nbu s ARG 117 Ca 0.00 -0.89 -0.29 0.00 -1.72 0.00 0.00 55.73 52.83 1nbu s ARG 117 Cb -0.13 -0.86 0.09 0.00 -0.45 0.00 0.00 34.95 33.60 1nbu s ARG 117 CO 0.03 0.20 0.78 0.45 -0.68 0.00 0.00 175.30 176.08 1nbu s SER 118 N -1.55 -0.60 0.00 0.23 0.15 -1.26 -0.79 113.70 109.89 1nbu s SER 118 Ca -0.01 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.41 1nbu s SER 118 Cb -0.09 0.65 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1nbu s SER 118 CO 0.02 -0.47 0.32 -2.11 1.20 0.00 0.00 173.24 172.21