#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 3.53 -3.48 0.00 9.92 -1.26 -4.96 116.55 120.30 1nbu n ASP 3 Ca 0.00 1.17 -0.11 0.00 -0.53 0.00 0.00 54.79 55.32 1nbu n ASP 3 Cb 0.00 -1.56 -0.02 0.00 -0.64 0.00 0.00 41.12 38.90 1nbu n ASP 3 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nbu s ARG 4 N -1.01 1.32 -0.11 -1.24 1.70 -1.26 -1.85 118.95 116.49 1nbu s ARG 4 Ca 0.61 -0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 55.31 1nbu s ARG 4 Cb -0.53 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 1nbu s ARG 4 CO 0.54 -0.57 -0.06 0.42 -1.08 0.00 0.00 175.30 174.54 1nbu s ILE 5 N -3.77 3.72 -0.13 4.99 1.01 -0.14 -4.95 121.20 121.92 1nbu s ILE 5 Ca 0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1nbu s ILE 5 Cb -0.01 -2.58 0.03 0.00 0.01 0.00 0.00 42.46 39.91 1nbu s ILE 5 CO -0.11 0.54 -0.09 -1.61 0.00 0.00 0.00 174.94 173.68 1nbu s GLU 6 N -0.15 1.72 -0.16 2.79 2.02 -1.26 -0.95 118.70 122.70 1nbu s GLU 6 Ca 0.02 -0.38 -0.07 0.00 0.02 0.00 0.00 54.97 54.57 1nbu s GLU 6 Cb -0.13 -1.79 -0.04 0.00 0.10 0.00 0.00 34.13 32.27 1nbu s GLU 6 CO 0.03 -0.28 0.06 -1.17 0.02 0.00 0.00 175.26 173.92 1nbu s LEU 7 N 1.64 3.86 -0.02 1.80 2.96 -0.12 -4.99 118.68 123.81 1nbu s LEU 7 Ca 0.04 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1nbu s LEU 7 Cb -0.13 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.61 1nbu s LEU 7 CO -0.09 0.23 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.98 1nbu s ARG 8 N 0.04 0.72 -0.69 1.98 1.81 -1.26 -1.09 118.95 120.46 1nbu s ARG 8 Ca 0.06 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 1nbu s ARG 8 Cb -0.12 -0.71 0.00 0.00 -0.45 0.00 0.00 34.95 33.67 1nbu s ARG 8 CO 0.01 0.04 0.00 0.41 -0.68 0.00 0.00 175.30 175.08 1nbu n GLY 9 N 3.46 0.55 3.65 -3.53 0.00 -1.03 -4.96 105.19 103.33 1nbu n GLY 9 Ca -0.19 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1nbu n GLY 9 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1nbu n LEU 10 N -0.90 3.93 -4.26 0.99 7.94 -0.12 -4.71 117.00 119.87 1nbu n LEU 10 Ca -0.08 0.78 -0.35 0.00 -1.11 0.00 0.00 56.01 55.25 1nbu n LEU 10 Cb 0.38 -1.52 -0.14 0.00 0.53 0.00 0.00 43.42 42.68 1nbu n LEU 10 CO 0.10 0.01 -0.37 -0.89 -1.11 0.00 0.00 177.39 175.14 1nbu s THR 11 N 5.16 3.26 -0.03 1.96 2.01 -1.26 0.25 115.64 126.99 1nbu s THR 11 Ca 0.92 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1nbu s THR 11 Cb -0.44 -2.62 0.03 0.00 0.01 0.00 0.00 72.50 69.48 1nbu s THR 11 CO 0.42 0.23 0.01 -0.69 -0.69 0.00 0.00 174.62 173.90 1nbu s VAL 12 N 1.41 0.13 0.23 3.82 1.01 -0.51 -5.00 120.40 121.49 1nbu s VAL 12 Ca 0.02 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1nbu s VAL 12 Cb -0.16 -0.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 1nbu s VAL 12 CO -0.03 0.14 1.19 -2.28 0.00 0.00 0.00 175.10 174.12 1nbu s HIS 13 N 1.17 3.42 0.34 5.22 5.65 -1.26 -1.40 115.29 128.43 1nbu s HIS 13 Ca -0.08 1.50 -0.11 0.00 0.25 0.00 0.00 55.06 56.62 1nbu s HIS 13 Cb -0.13 -3.42 0.02 0.00 -1.18 0.00 0.00 32.58 27.87 1nbu s HIS 13 CO -0.02 -1.11 0.61 0.20 -0.65 0.00 0.00 174.74 173.77 1nbu s GLY 14 N -0.23 0.79 -0.18 1.59 0.00 -0.13 -4.44 107.32 104.72 1nbu s GLY 14 Ca 0.50 -1.03 0.13 0.00 0.00 0.00 0.00 44.72 44.32 1nbu s GLY 14 CO 0.40 -0.61 1.20 0.54 0.00 0.00 0.00 173.10 174.63 1nbu n ARG 15 N -0.52 1.43 -3.03 2.90 1.74 -1.26 0.57 116.66 118.49 1nbu n ARG 15 Ca -0.03 -3.05 -0.35 0.00 -0.77 0.00 0.00 57.85 53.64 1nbu n ARG 15 Cb 0.61 -1.52 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.99 3.57 0.00 -1.55 3.76 -1.26 -4.44 115.29 112.38 1nbu s HIS 16 Ca 0.36 1.43 0.00 0.00 -0.15 0.00 0.00 55.06 56.70 1nbu s HIS 16 Cb 0.34 -2.67 0.00 0.00 1.11 0.00 0.00 32.58 31.37 1nbu s HIS 16 CO -0.05 0.23 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1nbu n GLY 17 N 0.36 3.76 0.24 -2.22 0.00 -0.20 -4.86 105.19 102.27 1nbu n GLY 17 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.18 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 4.71 1.28 -2.66 1.61 -1.51 -1.79 -3.39 116.25 114.50 1nbu h VAL 18 Ca 0.00 -1.81 -0.52 0.00 -1.23 0.00 0.00 66.70 63.14 1nbu h VAL 18 Cb 0.00 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 1nbu h VAL 18 CO 0.00 0.58 -0.36 -0.31 -1.23 0.00 0.00 177.57 176.25 1nbu s TYR 19 N -4.00 3.48 0.25 5.19 1.51 -1.26 -4.95 117.35 117.56 1nbu s TYR 19 Ca -0.10 0.23 -0.06 0.00 -1.01 0.00 0.00 57.07 56.13 1nbu s TYR 19 Cb 0.10 -1.77 0.26 0.00 -0.11 0.00 0.00 41.96 40.44 1nbu s TYR 19 CO 0.89 0.39 1.92 -0.44 -1.11 0.00 0.00 175.55 177.20 1nbu h ASP 20 N 1.75 1.13 -0.18 2.29 3.32 -2.00 -1.75 116.42 120.98 1nbu h ASP 20 Ca -0.49 -0.03 0.05 0.00 0.02 0.00 0.00 57.03 56.59 1nbu h ASP 20 Cb 1.20 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.47 1nbu h ASP 20 CO 0.66 0.81 0.15 1.12 -1.72 0.00 0.00 179.24 180.26 1nbu h HIS 21 N 1.33 0.00 0.00 4.55 2.07 -1.97 0.13 115.15 121.26 1nbu h HIS 21 Ca 0.37 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.82 1nbu h HIS 21 Cb -0.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.84 1nbu h HIS 21 CO -0.00 0.00 -0.34 0.93 -3.07 0.00 0.00 177.93 175.45 1nbu h GLU 22 N 0.00 0.00 -0.80 5.12 5.08 -1.69 -2.54 114.58 119.75 1nbu h GLU 22 Ca 0.09 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.21 1nbu h GLU 22 Cb 0.38 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.49 1nbu h GLU 22 CO -0.00 0.34 0.30 0.54 -1.00 0.00 0.00 179.01 179.19 1nbu n ARG 23 N -3.82 3.46 -0.02 2.33 1.74 0.45 -2.31 116.66 118.49 1nbu n ARG 23 Ca -0.01 -2.90 -0.01 0.00 -0.77 0.00 0.00 57.85 54.16 1nbu n ARG 23 Cb 0.42 -2.17 -0.00 0.00 -1.02 0.00 0.00 32.46 29.68 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 2.39 0.00 -0.01 1.55 2.07 -1.45 -3.41 116.25 117.39 1nbu h VAL 24 Ca 0.29 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1nbu h VAL 24 Cb 2.32 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1nbu h VAL 24 CO 0.75 0.00 -0.45 0.00 0.02 0.00 0.00 177.57 177.88 1nbu n ALA 25 N -2.60 3.39 -0.51 1.67 0.00 -1.26 -5.10 120.51 116.10 1nbu n ALA 25 Ca -0.00 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.03 1nbu n ALA 25 Cb 0.02 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 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 1.19 -1.86 3.83 0.00 0.00 -0.98 -4.93 105.19 102.43 1nbu n GLY 26 Ca 0.04 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.75 1.92 -0.06 1.61 -2.07 0.19 -4.95 119.66 115.56 1nbu s GLN 27 Ca 0.00 -1.20 -0.30 0.00 -1.82 0.00 0.00 55.36 52.04 1nbu s GLN 27 Cb 0.00 0.56 -0.04 0.00 -1.09 0.00 0.00 33.01 32.45 1nbu s GLN 27 CO 0.00 -0.90 1.26 0.50 -1.32 0.00 0.00 175.29 174.83 1nbu s ARG 28 N -2.64 4.32 0.10 9.60 3.52 -1.26 -0.96 118.95 131.63 1nbu s ARG 28 Ca 0.16 1.74 0.06 0.00 -0.13 0.00 0.00 55.73 57.56 1nbu s ARG 28 Cb -0.05 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1nbu s ARG 28 CO 0.09 -0.51 -0.06 -0.06 -0.81 0.00 0.00 175.30 173.95 1nbu s PHE 29 N 2.44 2.84 -0.08 5.12 0.40 -0.50 -4.35 117.98 123.86 1nbu s PHE 29 Ca 0.58 -0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.82 1nbu s PHE 29 Cb -0.26 -1.47 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1nbu s PHE 29 CO 0.22 0.45 -0.13 0.08 0.70 0.00 0.00 175.22 176.55 1nbu s VAL 30 N -1.28 1.23 -0.08 -0.44 1.01 -0.85 -1.42 120.40 118.57 1nbu s VAL 30 Ca 0.23 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1nbu s VAL 30 Cb -0.11 -1.13 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 1nbu s VAL 30 CO 0.16 0.38 -0.21 -0.63 0.00 0.00 0.00 175.10 174.80 1nbu s ILE 31 N 0.84 2.38 -0.01 2.22 -1.09 0.14 -0.34 121.20 125.33 1nbu s ILE 31 Ca -0.11 -0.93 0.04 0.00 -2.23 0.00 0.00 60.65 57.42 1nbu s ILE 31 Cb -0.15 -1.91 -0.03 0.00 -1.58 0.00 0.00 42.46 38.78 1nbu s ILE 31 CO 0.02 0.56 -0.13 -1.81 -1.23 0.00 0.00 174.94 172.35 1nbu s ASP 32 N 0.04 4.15 -0.03 3.58 1.01 -0.60 -0.94 116.67 123.87 1nbu s ASP 32 Ca -0.08 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 52.95 1nbu s ASP 32 Cb -0.15 -0.86 0.02 0.00 1.01 0.00 0.00 42.92 42.94 1nbu s ASP 32 CO 0.05 0.30 -0.03 -0.69 0.21 0.00 0.00 175.17 175.02 1nbu s VAL 33 N -0.86 0.38 -0.14 -1.27 1.01 -0.25 -1.31 120.40 117.96 1nbu s VAL 33 Ca 0.14 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.07 1nbu s VAL 33 Cb -0.11 -0.42 -0.00 0.00 0.00 0.00 0.00 36.38 35.85 1nbu s VAL 33 CO 0.04 0.18 -0.17 -0.89 0.00 0.00 0.00 175.10 174.25 1nbu s THR 34 N 0.78 2.55 -0.19 3.92 2.01 -0.40 -0.94 115.64 123.37 1nbu s THR 34 Ca -0.09 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 1nbu s THR 34 Cb -0.12 -2.05 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1nbu s THR 34 CO -0.01 0.53 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 1nbu s VAL 35 N 0.66 2.36 -0.19 3.82 1.01 -0.13 -1.07 120.40 126.87 1nbu s VAL 35 Ca -0.09 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 1nbu s VAL 35 Cb -0.16 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1nbu s VAL 35 CO 0.02 0.49 0.60 0.26 0.00 0.00 0.00 175.10 176.47 1nbu s TRP 36 N 1.32 3.39 -0.09 5.22 0.51 -0.62 -0.96 118.94 127.72 1nbu s TRP 36 Ca 0.05 0.91 -0.27 0.00 -2.12 0.00 0.00 56.10 54.66 1nbu s TRP 36 Cb -0.14 -2.76 0.06 0.00 -0.81 0.00 0.00 33.47 29.83 1nbu s TRP 36 CO -0.10 -0.13 0.62 -1.50 -0.51 0.00 0.00 176.95 175.33 1nbu s ILE 37 N 1.75 0.01 -0.21 2.03 2.07 -0.77 -0.28 121.20 125.80 1nbu s ILE 37 Ca 0.28 -0.07 -0.29 0.00 -1.41 0.00 0.00 60.65 59.16 1nbu s ILE 37 Cb -0.16 -0.93 -0.00 0.00 0.13 0.00 0.00 42.46 41.50 1nbu s ILE 37 CO 0.10 -0.04 1.17 -0.62 -1.91 0.00 0.00 174.94 173.65 1nbu s ASP 38 N -0.88 6.99 -0.06 4.50 -1.08 -1.26 -4.19 116.67 120.68 1nbu s ASP 38 Ca -0.09 1.51 0.19 0.00 -0.52 0.00 0.00 52.55 53.64 1nbu s ASP 38 Cb -0.02 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.54 1nbu s ASP 38 CO 0.07 -0.75 1.54 0.18 0.52 0.00 0.00 175.17 176.74 1nbu n LEU 39 N 6.56 4.23 -0.07 -1.34 4.77 -1.26 -4.60 117.00 125.30 1nbu n LEU 39 Ca 0.13 -2.27 -0.09 0.00 -0.03 0.00 0.00 56.01 53.75 1nbu n LEU 39 Cb 0.45 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.02 1nbu n LEU 39 CO 0.55 0.86 0.98 0.00 -1.33 0.00 0.00 177.39 178.44 1nbu h ALA 40 N 3.79 0.34 -0.60 -1.18 0.00 -1.95 -1.34 119.26 118.32 1nbu h ALA 40 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nbu h ALA 40 Cb 1.21 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1nbu h ALA 40 CO 0.13 -0.20 0.39 1.49 0.00 0.00 0.00 179.25 181.06 1nbu h GLU 41 N 0.35 0.79 -0.86 0.00 4.57 -1.91 0.46 114.58 117.99 1nbu h GLU 41 Ca 0.10 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 1nbu h GLU 41 Cb -0.03 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.34 1nbu h GLU 41 CO -0.03 0.53 0.43 0.00 -1.18 0.00 0.00 179.01 178.76 1nbu h ALA 42 N 1.21 1.13 -0.25 2.92 0.00 -1.68 0.99 119.26 123.58 1nbu h ALA 42 Ca 0.22 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1nbu h ALA 42 Cb -0.08 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1nbu h ALA 42 CO -0.05 0.66 -0.32 0.00 0.00 0.00 0.00 179.25 179.55 1nbu h ALA 43 N 1.25 0.97 -0.11 0.00 0.00 -0.90 0.42 119.26 120.89 1nbu h ALA 43 Ca 0.30 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1nbu h ALA 43 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1nbu h ALA 43 CO -0.04 0.61 0.03 -0.91 0.00 0.00 0.00 179.25 178.93 1nbu h ASN 44 N 0.45 0.17 0.85 0.00 -0.26 0.14 -3.31 115.58 113.63 1nbu h ASN 44 Ca 0.05 -0.24 -0.24 0.00 -0.56 0.00 0.00 56.30 55.32 1nbu h ASN 44 Cb 0.78 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.97 1nbu h ASN 44 CO 0.06 0.36 -1.13 0.77 -1.06 0.00 0.00 177.43 176.44 1nbu h SER 45 N -0.03 0.12 -2.64 5.81 4.64 0.99 -3.48 113.55 118.97 1nbu h SER 45 Ca 0.03 -0.13 -0.39 0.00 -0.47 0.00 0.00 61.79 60.84 1nbu h SER 45 Cb 0.26 -0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1nbu h SER 45 CO 0.00 1.11 -0.46 -0.67 -0.87 0.00 0.00 176.83 175.94 1nbu n ASP 46 N -3.38 -5.40 -4.37 4.97 2.03 0.15 -4.98 116.55 105.57 1nbu n ASP 46 Ca -0.04 0.14 -0.35 0.00 0.52 0.00 0.00 54.79 55.06 1nbu n ASP 46 Cb 0.97 -4.58 -0.13 0.00 -0.72 0.00 0.00 41.12 36.66 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 -2.19 4.58 0.38 1.67 -1.08 -1.25 -5.00 116.67 113.78 1nbu s ASP 47 Ca 0.00 -0.30 0.17 0.00 -0.52 0.00 0.00 52.55 51.90 1nbu s ASP 47 Cb 0.00 -1.79 1.09 0.00 -1.46 0.00 0.00 42.92 40.75 1nbu s ASP 47 CO 0.00 0.01 1.73 0.25 0.52 0.00 0.00 175.17 177.68 1nbu h LEU 48 N 7.93 0.49 -0.85 -1.34 6.46 -1.93 -0.79 115.31 125.27 1nbu h LEU 48 Ca -0.39 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1nbu h LEU 48 Cb 1.17 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.14 1nbu h LEU 48 CO 0.60 0.04 0.00 0.00 -0.62 0.00 0.00 178.44 178.46 1nbu n ALA 49 N -2.42 1.55 1.44 1.25 0.00 -1.26 -1.59 120.51 119.48 1nbu n ALA 49 Ca 0.28 0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.95 1nbu n ALA 49 Cb 0.92 -1.38 0.50 0.00 0.00 0.00 0.00 19.45 19.49 1nbu n ALA 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nbu n ASP 50 N -2.26 1.42 -3.29 0.00 8.00 -0.30 -4.88 116.55 115.23 1nbu n ASP 50 Ca 0.01 -1.54 -0.19 0.00 0.71 0.00 0.00 54.79 53.78 1nbu n ASP 50 Cb 0.20 -0.04 -0.05 0.00 -0.02 0.00 0.00 41.12 41.20 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 0.13 0.00 -3.33 -3.53 5.66 -0.62 -4.32 114.28 108.26 1nbu n THR 51 Ca 0.18 -1.73 -0.40 0.00 -3.05 0.00 0.00 64.05 59.04 1nbu n THR 51 Cb 0.32 0.59 -0.09 0.00 -1.55 0.00 0.00 70.33 69.61 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 -2.63 3.21 -0.25 1.09 6.14 -1.26 -5.01 117.35 118.65 1nbu s TYR 52 Ca 0.13 0.19 -0.29 0.00 0.64 0.00 0.00 57.07 57.75 1nbu s TYR 52 Cb 0.01 -2.74 -0.03 0.00 0.42 0.00 0.00 41.96 39.61 1nbu s TYR 52 CO 0.10 -0.41 1.80 0.34 0.64 0.00 0.00 175.55 178.01 1nbu s ASP 53 N 1.71 6.05 0.57 4.32 2.15 -1.26 -4.87 116.67 125.34 1nbu s ASP 53 Ca 0.16 1.59 0.29 0.00 0.43 0.00 0.00 52.55 55.02 1nbu s ASP 53 Cb -0.16 -2.53 1.74 0.00 -0.30 0.00 0.00 42.92 41.67 1nbu s ASP 53 CO 0.12 -1.53 2.21 0.10 -0.17 0.00 0.00 175.17 175.90 1nbu h TYR 54 N 12.23 0.00 -0.34 -5.34 -0.00 -1.99 -2.07 116.97 119.46 1nbu h TYR 54 Ca -0.36 0.00 -0.04 0.00 0.00 0.00 0.00 58.73 58.33 1nbu h TYR 54 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.89 1nbu h TYR 54 CO 0.94 0.03 0.05 0.28 -0.00 0.00 0.00 178.16 179.46 1nbu h VAL 55 N 0.00 1.24 0.00 -0.90 2.07 -2.00 -0.56 116.25 116.10 1nbu h VAL 55 Ca -0.00 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.61 1nbu h VAL 55 Cb 0.08 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1nbu h VAL 55 CO 0.00 0.28 -0.35 0.03 0.02 0.00 0.00 177.57 177.55 1nbu h ARG 56 N 0.40 0.00 -0.08 1.57 3.08 -1.80 -1.92 114.38 115.63 1nbu h ARG 56 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1nbu h ARG 56 Cb 0.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1nbu h ARG 56 CO 0.01 0.35 0.02 1.25 -1.07 0.00 0.00 179.97 180.54 1nbu h LEU 57 N 0.00 0.12 -0.49 3.04 6.46 -1.19 -1.68 115.31 121.57 1nbu h LEU 57 Ca -0.00 -0.21 -0.12 0.00 -0.12 0.00 0.00 57.88 57.43 1nbu h LEU 57 Cb 1.19 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 41.08 1nbu h LEU 57 CO 0.05 0.29 -0.17 0.00 -0.62 0.00 0.00 178.44 177.99 1nbu h ALA 58 N 0.83 0.68 0.17 1.25 0.00 -1.03 -2.02 119.26 119.14 1nbu h ALA 58 Ca 0.03 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1nbu h ALA 58 Cb 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nbu h ALA 58 CO -0.00 0.63 -0.17 1.03 0.00 0.00 0.00 179.25 180.75 1nbu h SER 59 N 0.83 -0.44 -0.61 0.00 0.87 -1.33 -1.51 113.55 111.37 1nbu h SER 59 Ca 0.12 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1nbu h SER 59 Cb 0.74 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 1nbu h SER 59 CO 0.06 -0.25 0.33 -0.09 -0.53 0.00 0.00 176.83 176.35 1nbu h ARG 60 N -0.36 0.85 -0.68 2.24 9.65 -1.34 -0.69 114.38 124.04 1nbu h ARG 60 Ca 0.00 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 58.82 1nbu h ARG 60 Cb 0.34 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.71 1nbu h ARG 60 CO -0.04 0.65 0.42 0.00 2.80 0.00 0.00 179.97 183.80 1nbu h ALA 61 N 1.15 0.89 -0.51 2.80 0.00 -1.14 -1.94 119.26 120.51 1nbu h ALA 61 Ca 0.21 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1nbu h ALA 61 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1nbu h ALA 61 CO -0.03 0.17 0.08 0.00 0.00 0.00 0.00 179.25 179.46 1nbu h ALA 62 N 1.30 0.68 -0.69 0.00 0.00 -0.92 -1.57 119.26 118.07 1nbu h ALA 62 Ca 0.28 -0.24 0.09 0.00 0.00 0.00 0.00 54.91 55.04 1nbu h ALA 62 Cb 0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.58 1nbu h ALA 62 CO -0.12 0.42 0.33 0.93 0.00 0.00 0.00 179.25 180.81 1nbu h GLU 63 N 0.73 0.55 -0.17 0.00 5.08 -0.68 0.11 114.58 120.20 1nbu h GLU 63 Ca 0.16 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1nbu h GLU 63 Cb 0.41 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nbu h GLU 63 CO 0.01 0.37 -0.09 0.82 -1.00 0.00 0.00 179.01 179.12 1nbu h ILE 64 N 0.57 1.31 -0.81 3.13 2.04 -1.18 -1.29 117.51 121.28 1nbu h ILE 64 Ca 0.34 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 65.06 1nbu h ILE 64 Cb 0.35 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 1nbu h ILE 64 CO -0.27 0.34 0.54 0.58 0.00 0.00 0.00 178.15 179.34 1nbu h VAL 65 N 0.03 1.20 0.00 1.67 2.07 -1.04 -2.17 116.25 118.01 1nbu h VAL 65 Ca 0.04 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1nbu h VAL 65 Cb 0.57 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1nbu h VAL 65 CO 0.03 0.20 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1nbu n ALA 66 N -2.41 2.46 -1.41 1.67 0.00 0.35 -4.49 120.51 116.67 1nbu n ALA 66 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1nbu n ALA 66 Cb 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 1.12 0.89 3.66 0.00 0.00 -0.51 -4.94 105.19 105.42 1nbu n GLY 67 Ca 0.15 -1.72 -0.46 0.00 0.00 0.00 0.00 46.02 43.99 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 2.03 -1.75 1.61 -0.02 -1.26 -4.82 135.00 130.79 1nbu n PRO 68 Ca 0.00 0.73 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 1nbu n PRO 68 Cb 0.00 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.02 1nbu n PRO 68 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1nbu n PRO 69 N 2.92 2.70 -4.28 0.52 -0.02 -1.26 -5.00 135.00 130.58 1nbu n PRO 69 Ca 0.15 0.95 -0.27 0.00 -2.02 0.00 0.00 63.50 62.32 1nbu n PRO 69 Cb 0.29 -2.72 -0.09 0.00 -0.02 0.00 0.00 33.50 30.95 1nbu n PRO 69 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nbu s ARG 70 N -0.94 2.12 0.11 -0.52 1.81 -1.26 -4.98 118.95 115.28 1nbu s ARG 70 Ca 0.61 -1.24 -0.14 0.00 -1.72 0.00 0.00 55.73 53.23 1nbu s ARG 70 Cb -0.49 -2.19 -0.07 0.00 -0.45 0.00 0.00 34.95 31.75 1nbu s ARG 70 CO 0.53 0.44 1.45 0.87 -0.68 0.00 0.00 175.30 177.90 1nbu h LYS 71 N 2.86 0.72 -6.46 3.54 1.57 -1.94 -0.50 116.57 116.36 1nbu h LYS 71 Ca -0.47 -0.35 -0.68 0.00 -1.87 0.00 0.00 60.65 57.28 1nbu h LYS 71 Cb 1.21 -0.00 -0.21 0.00 0.08 0.00 0.00 32.23 33.31 1nbu h LYS 71 CO 0.55 0.97 -0.77 -0.51 -0.57 0.00 0.00 179.45 179.12 1nbu s LEU 72 N -9.04 2.77 0.41 2.94 1.43 -1.26 -2.59 118.68 113.34 1nbu s LEU 72 Ca -0.12 -0.31 0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1nbu s LEU 72 Cb 0.09 -1.61 1.22 0.00 0.03 0.00 0.00 46.19 45.92 1nbu s LEU 72 CO 0.83 0.28 1.86 0.16 0.23 0.00 0.00 176.35 179.71 1nbu h ILE 73 N 3.96 0.00 -0.58 -0.59 3.07 -1.95 -2.47 117.51 118.95 1nbu h ILE 73 Ca -0.48 -0.35 0.06 0.00 1.55 0.00 0.00 64.86 65.64 1nbu h ILE 73 Cb 1.16 1.21 -0.05 0.00 -0.27 0.00 0.00 36.82 38.86 1nbu h ILE 73 CO 0.50 0.00 0.29 -0.33 -1.05 0.00 0.00 178.15 177.55 1nbu h GLU 74 N 0.00 0.52 -0.02 0.16 3.07 -1.95 -2.15 114.58 114.21 1nbu h GLU 74 Ca 0.00 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1nbu h GLU 74 Cb 0.41 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1nbu h GLU 74 CO 0.00 0.34 0.01 1.15 -1.40 0.00 0.00 179.01 179.11 1nbu h THR 75 N 0.54 1.13 -0.12 1.13 2.02 -1.87 -1.07 112.91 114.66 1nbu h THR 75 Ca 0.26 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1nbu h THR 75 Cb 0.20 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 1nbu h THR 75 CO -0.20 0.10 -0.10 0.58 0.37 0.00 0.00 175.52 176.27 1nbu h VAL 76 N -0.12 0.70 0.00 3.16 2.07 -1.49 -2.00 116.25 118.57 1nbu h VAL 76 Ca 0.01 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1nbu h VAL 76 Cb 0.16 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1nbu h VAL 76 CO -0.00 0.00 -0.36 1.23 0.02 0.00 0.00 177.57 178.46 1nbu h GLY 77 N -0.12 0.00 1.67 2.17 0.00 -1.28 -1.86 103.07 103.65 1nbu h GLY 77 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 1nbu h GLY 77 CO -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 175.96 1nbu h ALA 78 N 1.64 1.03 -0.18 3.60 0.00 -0.56 -1.13 119.26 123.66 1nbu h ALA 78 Ca -0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 1nbu h ALA 78 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nbu h ALA 78 CO 0.05 0.60 -0.69 1.49 0.00 0.00 0.00 179.25 180.70 1nbu h GLU 79 N 0.31 0.71 -0.44 0.00 4.81 -0.90 -0.24 114.58 118.84 1nbu h GLU 79 Ca 0.03 -0.53 -0.12 0.00 -0.13 0.00 0.00 59.36 58.61 1nbu h GLU 79 Cb 0.82 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1nbu h GLU 79 CO 0.07 1.15 -0.20 0.82 -0.73 0.00 0.00 179.01 180.11 1nbu h ILE 80 N 0.51 1.27 -0.06 2.32 2.04 -1.18 -2.59 117.51 119.82 1nbu h ILE 80 Ca -0.02 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.47 1nbu h ILE 80 Cb 1.29 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1nbu h ILE 80 CO 0.14 0.46 0.00 0.00 0.00 0.00 0.00 178.15 178.75 1nbu h ALA 81 N 0.84 0.09 -0.32 1.87 0.00 -1.13 -1.75 119.26 118.86 1nbu h ALA 81 Ca 0.10 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.92 1nbu h ALA 81 Cb 0.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1nbu h ALA 81 CO 0.06 -0.24 0.23 -0.44 0.00 0.00 0.00 179.25 178.86 1nbu h ASP 82 N -0.17 0.04 -0.35 0.00 3.32 -1.12 -0.39 116.42 117.75 1nbu h ASP 82 Ca 0.02 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 1nbu h ASP 82 Cb 0.33 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1nbu h ASP 82 CO 0.00 0.02 -0.26 -0.74 -1.72 0.00 0.00 179.24 176.55 1nbu h HIS 83 N 0.04 0.92 -0.28 4.55 -0.00 -1.01 -2.82 115.15 116.56 1nbu h HIS 83 Ca 0.15 -0.26 -0.09 0.00 -0.00 0.00 0.00 60.37 60.17 1nbu h HIS 83 Cb 0.55 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.74 1nbu h HIS 83 CO -0.00 1.02 -0.23 0.28 -0.00 0.00 0.00 177.93 179.00 1nbu h VAL 84 N 0.57 1.26 0.00 5.26 2.07 -0.42 -2.79 116.25 122.20 1nbu h VAL 84 Ca 0.07 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.34 1nbu h VAL 84 Cb 0.82 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1nbu h VAL 84 CO 0.07 0.40 0.00 0.23 0.02 0.00 0.00 177.57 178.29 1nbu n MET 85 N -4.13 0.23 0.00 1.57 2.00 -0.25 -2.16 117.12 114.38 1nbu n MET 85 Ca -0.00 0.33 0.15 0.00 0.00 0.00 0.00 57.70 58.18 1nbu n MET 85 Cb 0.40 -1.84 0.61 0.00 0.00 0.00 0.00 33.22 32.39 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 0.14 -3.47 7.83 3.45 -1.23 -3.38 116.42 119.76 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 0.54 -0.03 -0.06 0.00 -0.56 0.00 0.00 39.33 39.22 1nbu h ASP 86 CO 0.00 0.08 0.99 -0.62 -1.57 0.00 0.00 179.24 178.12 1nbu s ASP 87 N -6.34 6.49 0.00 6.45 -1.08 -0.92 -4.89 116.67 116.39 1nbu s ASP 87 Ca -0.06 0.51 0.17 0.00 -0.52 0.00 0.00 52.55 52.64 1nbu s ASP 87 Cb 0.19 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 40.01 1nbu s ASP 87 CO 0.73 -1.37 1.48 0.00 0.52 0.00 0.00 175.17 176.53 1nbu n GLN 88 N 8.05 0.33 0.16 4.34 1.13 -1.26 -1.05 117.38 129.08 1nbu n GLN 88 Ca 0.13 0.09 0.13 0.00 -1.94 0.00 0.00 57.00 55.41 1nbu n GLN 88 Cb 0.49 -1.50 0.45 0.00 0.11 0.00 0.00 30.24 29.79 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 -6.17 -1.09 3.08 -1.92 -3.45 114.38 104.83 1nbu h ARG 89 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1nbu h ARG 89 Cb 0.11 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1nbu h ARG 89 CO 0.00 0.00 0.46 0.08 -1.07 0.00 0.00 179.97 179.44 1nbu s VAL 90 N -3.28 4.84 0.05 2.04 1.01 -0.22 -4.52 120.40 120.32 1nbu s VAL 90 Ca 0.06 1.88 -0.13 0.00 0.00 0.00 0.00 61.98 63.80 1nbu s VAL 90 Cb 0.10 -4.24 -0.32 0.00 0.00 0.00 0.00 36.38 31.92 1nbu s VAL 90 CO 0.52 0.05 1.07 0.45 0.00 0.00 0.00 175.10 177.19 1nbu h HIS 91 N 7.10 0.90 -2.64 5.22 3.86 -0.96 -3.45 115.15 125.18 1nbu h HIS 91 Ca -0.32 -0.62 0.10 0.00 -1.16 0.00 0.00 60.37 58.37 1nbu h HIS 91 Cb 1.15 -0.05 -0.09 0.00 1.06 0.00 0.00 27.41 29.48 1nbu h HIS 91 CO 0.70 1.47 0.36 0.00 0.86 0.00 0.00 177.93 181.33 1nbu s ALA 92 N -2.77 -1.54 0.01 2.45 0.00 -1.22 -1.92 121.76 116.79 1nbu s ALA 92 Ca -0.08 0.18 -0.05 0.00 0.00 0.00 0.00 51.96 52.01 1nbu s ALA 92 Cb 0.05 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1nbu s ALA 92 CO 0.93 -0.94 0.09 0.54 0.00 0.00 0.00 175.76 176.38 1nbu s VAL 93 N -3.53 0.10 -0.07 0.00 0.11 0.11 -1.58 120.40 115.53 1nbu s VAL 93 Ca 0.09 -0.80 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 1nbu s VAL 93 Cb -0.03 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.39 1nbu s VAL 93 CO -0.00 -0.44 -0.10 -1.61 -3.33 0.00 0.00 175.10 169.62 1nbu s GLU 94 N -1.57 1.51 -0.21 1.54 2.02 -0.23 -1.53 118.70 120.22 1nbu s GLU 94 Ca -0.14 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 1nbu s GLU 94 Cb -0.07 -1.32 0.02 0.00 0.10 0.00 0.00 34.13 32.85 1nbu s GLU 94 CO 0.00 -0.04 -0.13 0.08 0.02 0.00 0.00 175.26 175.19 1nbu s VAL 95 N 0.88 2.51 -0.27 2.63 1.01 0.32 -1.28 120.40 126.20 1nbu s VAL 95 Ca -0.11 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.79 1nbu s VAL 95 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 1nbu s VAL 95 CO 0.01 0.38 0.29 0.00 0.00 0.00 0.00 175.10 175.78 1nbu s ALA 96 N 1.31 3.55 -0.37 5.51 0.00 -0.42 -0.55 121.76 130.79 1nbu s ALA 96 Ca 0.03 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 1nbu s ALA 96 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 23.12 20.40 1nbu s ALA 96 CO -0.08 -0.58 0.21 0.08 0.00 0.00 0.00 175.76 175.39 1nbu s VAL 97 N 1.87 4.63 0.07 0.00 1.01 0.21 -1.56 120.40 126.63 1nbu s VAL 97 Ca 0.12 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 1nbu s VAL 97 Cb -0.16 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.59 1nbu s VAL 97 CO 0.10 -0.22 0.43 -1.00 0.00 0.00 0.00 175.10 174.42 1nbu s HIS 98 N 1.57 3.63 -0.56 5.22 3.76 0.54 -1.51 115.29 127.94 1nbu s HIS 98 Ca 0.02 0.90 0.07 0.00 -0.15 0.00 0.00 55.06 55.91 1nbu s HIS 98 Cb -0.19 -2.24 0.25 0.00 1.11 0.00 0.00 32.58 31.51 1nbu s HIS 98 CO 0.07 0.54 0.69 1.17 -0.85 0.00 0.00 174.74 176.35 1nbu n LYS 99 N 1.14 1.99 0.10 1.40 4.81 0.28 -2.00 118.16 125.88 1nbu n LYS 99 Ca -0.09 -4.23 0.09 0.00 -0.87 0.00 0.00 58.31 53.20 1nbu n LYS 99 Cb 0.52 -1.94 0.41 0.00 0.02 0.00 0.00 35.03 34.04 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 0.98 0.11 -0.69 1.64 -0.04 -1.26 -1.37 135.00 134.37 1nbu n PRO 100 Ca 0.27 0.47 0.01 0.00 -0.04 0.00 0.00 63.50 64.21 1nbu n PRO 100 Cb 0.45 -1.77 0.25 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.00 2.71 -1.66 0.54 6.02 -1.26 -4.80 117.38 116.93 1nbu n GLN 101 Ca 0.01 -3.00 -0.52 0.00 -0.01 0.00 0.00 57.00 53.48 1nbu n GLN 101 Cb 0.13 -1.92 -0.06 0.00 1.02 0.00 0.00 30.24 29.41 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 -0.66 0.06 -2.44 -1.58 0.00 -0.47 -4.79 120.51 110.62 1nbu n ALA 102 Ca 0.30 0.42 -0.38 0.00 0.00 0.00 0.00 53.44 53.78 1nbu n ALA 102 Cb 1.06 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 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 2.24 3.44 0.06 0.00 0.04 -1.26 -4.88 135.00 134.64 1nbu s PRO 103 Ca 0.90 -1.26 0.07 0.00 0.04 0.00 0.00 61.00 60.75 1nbu s PRO 103 Cb -0.89 -5.36 -0.03 0.00 0.04 0.00 0.00 34.50 28.27 1nbu s PRO 103 CO 0.52 -2.59 -0.20 -1.50 0.04 0.00 0.00 177.00 173.27 1nbu s ILE 104 N 6.18 1.58 -0.33 0.56 2.07 -1.26 -5.05 121.20 124.94 1nbu s ILE 104 Ca 0.54 -1.30 0.26 0.00 -1.41 0.00 0.00 60.65 58.75 1nbu s ILE 104 Cb 0.00 -1.41 0.35 0.00 0.13 0.00 0.00 42.46 41.53 1nbu s ILE 104 CO -0.01 0.06 1.72 1.55 -1.91 0.00 0.00 174.94 176.36 1nbu h PRO 105 N 4.57 0.00 -7.28 3.50 0.14 -2.04 -3.44 132.00 127.45 1nbu h PRO 105 Ca -0.43 0.00 -0.51 0.00 0.14 0.00 0.00 66.00 65.19 1nbu h PRO 105 Cb 1.17 0.00 0.13 0.00 0.14 0.00 0.00 31.00 32.44 1nbu h PRO 105 CO 0.42 0.00 0.33 -0.65 0.14 0.00 0.00 178.00 178.24 1nbu s GLN 106 N -3.32 2.27 -0.19 0.86 1.11 -1.26 -5.02 119.66 114.10 1nbu s GLN 106 Ca 0.06 1.27 -0.17 0.00 0.01 0.00 0.00 55.36 56.53 1nbu s GLN 106 Cb 0.07 -1.89 -0.04 0.00 -1.01 0.00 0.00 33.01 30.14 1nbu s GLN 106 CO 0.62 -1.65 0.45 0.99 0.01 0.00 0.00 175.29 175.72 1nbu s THR 107 N -2.72 5.16 0.04 -0.19 2.01 -1.26 -5.08 115.64 113.60 1nbu s THR 107 Ca 0.63 0.82 -0.25 0.00 0.31 0.00 0.00 61.69 63.20 1nbu s THR 107 Cb -0.19 -3.78 0.06 0.00 0.01 0.00 0.00 72.50 68.61 1nbu s THR 107 CO 0.52 0.23 0.59 0.72 -0.69 0.00 0.00 174.62 176.00 1nbu s PHE 108 N 1.36 -0.53 0.03 4.92 -0.12 -1.26 -5.07 117.98 117.32 1nbu s PHE 108 Ca 0.21 0.67 -0.16 0.00 -0.05 0.00 0.00 56.93 57.60 1nbu s PHE 108 Cb -0.15 0.42 -0.30 0.00 -0.63 0.00 0.00 43.02 42.35 1nbu s PHE 108 CO 0.09 -0.68 1.06 -0.44 -0.05 0.00 0.00 175.22 175.20 1nbu h ASP 109 N 2.68 0.81 -4.92 1.98 3.32 -1.98 -3.48 116.42 114.83 1nbu h ASP 109 Ca -0.30 -0.85 -0.02 0.00 0.02 0.00 0.00 57.03 55.87 1nbu h ASP 109 Cb 1.21 -0.26 -0.16 0.00 0.22 0.00 0.00 39.33 40.34 1nbu h ASP 109 CO 0.40 1.59 0.24 -0.62 -1.72 0.00 0.00 179.24 179.13 1nbu s ASP 110 N -7.37 -0.59 0.01 6.45 -1.08 -1.26 -4.81 116.67 108.03 1nbu s ASP 110 Ca -0.10 0.37 0.01 0.00 -0.52 0.00 0.00 52.55 52.31 1nbu s ASP 110 Cb 0.05 0.54 -0.01 0.00 -1.46 0.00 0.00 42.92 42.03 1nbu s ASP 110 CO 0.92 -0.73 -0.04 0.54 0.52 0.00 0.00 175.17 176.38 1nbu s VAL 111 N -2.31 0.23 0.13 1.11 0.11 -1.26 -5.02 120.40 113.38 1nbu s VAL 111 Ca -0.05 -0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 58.21 1nbu s VAL 111 Cb -0.00 -0.28 0.06 0.00 -1.53 0.00 0.00 36.38 34.63 1nbu s VAL 111 CO -0.01 -0.22 0.57 0.00 -3.33 0.00 0.00 175.10 172.10 1nbu s ALA 112 N -0.79 -1.48 0.17 1.54 0.00 -1.26 -0.55 121.76 119.38 1nbu s ALA 112 Ca -0.07 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.45 1nbu s ALA 112 Cb -0.06 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1nbu s ALA 112 CO -0.00 -0.69 -0.08 0.14 0.00 0.00 0.00 175.76 175.13 1nbu s VAL 113 N -3.43 3.30 -0.19 0.00 -7.23 -0.57 -4.96 120.40 107.32 1nbu s VAL 113 Ca -0.00 -1.57 0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1nbu s VAL 113 Cb -0.00 -2.63 0.04 0.00 0.56 0.00 0.00 36.38 34.34 1nbu s VAL 113 CO -0.10 -0.08 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.80 1nbu s VAL 114 N -1.65 1.69 -0.23 1.32 1.01 -1.26 -0.62 120.40 120.66 1nbu s VAL 114 Ca 0.25 -0.98 -0.10 0.00 0.00 0.00 0.00 61.98 61.15 1nbu s VAL 114 Cb -0.09 -1.72 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1nbu s VAL 114 CO 0.16 0.23 0.14 -0.63 0.00 0.00 0.00 175.10 175.00 1nbu s ILE 115 N 1.39 5.21 -0.12 2.22 -1.09 0.28 -4.90 121.20 124.19 1nbu s ILE 115 Ca -0.00 0.12 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1nbu s ILE 115 Cb -0.16 -3.42 -0.02 0.00 -1.58 0.00 0.00 42.46 37.29 1nbu s ILE 115 CO -0.09 0.36 -0.09 -0.60 -1.23 0.00 0.00 174.94 173.29 1nbu s ARG 116 N 0.99 3.28 0.05 2.79 3.52 -1.26 -0.52 118.95 127.79 1nbu s ARG 116 Ca 0.07 -0.61 0.05 0.00 -0.13 0.00 0.00 55.73 55.10 1nbu s ARG 116 Cb -0.13 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.55 1nbu s ARG 116 CO 0.04 0.34 -0.13 1.03 -0.81 0.00 0.00 175.30 175.76 1nbu s ARG 117 N 0.05 0.84 0.23 5.12 1.81 -0.58 -4.99 118.95 121.43 1nbu s ARG 117 Ca -0.03 -0.79 -0.21 0.00 -1.72 0.00 0.00 55.73 52.99 1nbu s ARG 117 Cb -0.14 -0.83 0.04 0.00 -0.45 0.00 0.00 34.95 33.57 1nbu s ARG 117 CO 0.04 0.20 0.64 -1.54 -0.68 0.00 0.00 175.30 173.95 1nbu s SER 118 N -1.31 -0.35 0.00 0.23 1.04 -1.26 0.06 113.70 112.12 1nbu s SER 118 Ca -0.00 -0.41 0.18 0.00 0.48 0.00 0.00 55.95 56.19 1nbu s SER 118 Cb -0.08 0.66 1.06 0.00 0.10 0.00 0.00 66.02 67.76 1nbu s SER 118 CO 0.01 -1.17 1.46 0.54 0.98 0.00 0.00 173.24 175.07