#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 1.54 -3.69 0.00 8.00 -1.26 -4.96 116.55 116.18 1nbu n ASP 3 Ca 0.00 1.16 -0.10 0.00 0.71 0.00 0.00 54.79 56.56 1nbu n ASP 3 Cb 0.00 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 39.79 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 -0.94 1.41 -0.10 -1.24 1.70 -1.26 -2.70 118.95 115.82 1nbu s ARG 4 Ca 0.66 -0.80 0.00 0.00 -0.47 0.00 0.00 55.73 55.12 1nbu s ARG 4 Cb -0.75 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.16 1nbu s ARG 4 CO 0.56 -0.61 -0.11 0.42 -1.08 0.00 0.00 175.30 174.48 1nbu s ILE 5 N -3.85 3.31 -0.14 4.99 1.01 0.11 -4.94 121.20 121.69 1nbu s ILE 5 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1nbu s ILE 5 Cb -0.02 -2.37 0.02 0.00 0.01 0.00 0.00 42.46 40.10 1nbu s ILE 5 CO -0.04 0.55 -0.13 -1.61 0.00 0.00 0.00 174.94 173.71 1nbu s GLU 6 N -0.13 2.19 -0.17 2.79 2.02 -1.26 -0.63 118.70 123.51 1nbu s GLU 6 Ca -0.00 -0.52 -0.04 0.00 0.02 0.00 0.00 54.97 54.43 1nbu s GLU 6 Cb -0.13 -2.02 -0.03 0.00 0.10 0.00 0.00 34.13 32.05 1nbu s GLU 6 CO 0.03 -0.23 -0.02 -1.17 0.02 0.00 0.00 175.26 173.89 1nbu s LEU 7 N 1.48 3.27 -0.04 1.80 2.96 -0.02 -5.00 118.68 123.12 1nbu s LEU 7 Ca 0.04 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1nbu s LEU 7 Cb -0.13 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.77 1nbu s LEU 7 CO -0.10 0.13 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.85 1nbu s ARG 8 N 0.61 1.14 0.00 1.98 1.81 -1.26 -1.07 118.95 122.16 1nbu s ARG 8 Ca -0.02 -0.27 0.00 0.00 -1.72 0.00 0.00 55.73 53.72 1nbu s ARG 8 Cb -0.14 -1.03 0.00 0.00 -0.45 0.00 0.00 34.95 33.33 1nbu s ARG 8 CO 0.02 0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.08 1nbu n GLY 9 N 3.69 0.53 3.63 -3.53 0.00 -1.04 -4.97 105.19 103.50 1nbu n GLY 9 Ca -0.22 -0.82 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 3.98 -0.23 0.99 2.96 0.11 -4.72 118.68 121.77 1nbu s LEU 10 Ca 0.00 1.91 -0.05 0.00 -0.22 0.00 0.00 54.13 55.78 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 -1.27 -0.02 -0.89 -1.32 0.00 0.00 176.35 172.85 1nbu s THR 11 N 5.35 3.58 -0.02 3.68 2.01 -1.26 -0.22 115.64 128.75 1nbu s THR 11 Ca 0.78 -0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 1nbu s THR 11 Cb -0.30 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 69.59 1nbu s THR 11 CO 0.32 0.41 0.04 -0.69 -0.69 0.00 0.00 174.62 174.00 1nbu s VAL 12 N 1.49 -0.03 0.01 3.82 1.01 -0.01 -4.99 120.40 121.70 1nbu s VAL 12 Ca 0.06 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.86 1nbu s VAL 12 Cb -0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 36.38 36.11 1nbu s VAL 12 CO -0.02 0.05 1.14 -2.28 0.00 0.00 0.00 175.10 173.99 1nbu s HIS 13 N 0.66 3.44 0.34 5.22 5.65 -1.26 -0.92 115.29 128.41 1nbu s HIS 13 Ca -0.05 1.39 0.03 0.00 0.25 0.00 0.00 55.06 56.68 1nbu s HIS 13 Cb -0.08 -3.34 -0.01 0.00 -1.18 0.00 0.00 32.58 27.97 1nbu s HIS 13 CO -0.02 -0.93 0.38 0.41 -0.65 0.00 0.00 174.74 173.92 1nbu n GLY 14 N 3.17 2.54 0.17 1.59 0.00 -0.66 -4.45 105.19 107.55 1nbu n GLY 14 Ca 0.09 -1.77 0.08 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.61 1.13 -1.71 1.61 3.00 -1.26 -0.66 116.66 118.15 1nbu n ARG 15 Ca 0.05 -2.42 -0.35 0.00 -0.01 0.00 0.00 57.85 55.11 1nbu n ARG 15 Cb 0.60 -1.37 0.07 0.00 0.00 0.00 0.00 32.46 31.76 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 -2.51 2.19 0.00 -1.55 3.76 -1.26 -4.43 115.29 111.49 1nbu s HIS 16 Ca 0.28 1.54 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 1nbu s HIS 16 Cb 0.25 -3.52 0.00 0.00 1.11 0.00 0.00 32.58 30.43 1nbu s HIS 16 CO 0.02 -2.51 0.00 0.41 -0.85 0.00 0.00 174.74 171.80 1nbu n GLY 17 N 0.51 3.60 0.13 -2.22 0.00 -0.80 -4.79 105.19 101.61 1nbu n GLY 17 Ca 0.14 -0.69 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1nbu n GLY 17 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nbu h VAL 18 N 4.10 1.41 -2.66 1.61 2.07 -1.84 -3.38 116.25 117.56 1nbu h VAL 18 Ca 0.00 -2.61 -0.59 0.00 0.82 0.00 0.00 66.70 64.32 1nbu h VAL 18 Cb 0.00 3.14 -0.11 0.00 -1.52 0.00 0.00 31.29 32.80 1nbu h VAL 18 CO 0.00 0.76 -0.67 -0.31 0.02 0.00 0.00 177.57 177.37 1nbu s TYR 19 N -2.50 2.75 0.16 1.57 1.51 -1.26 -5.00 117.35 114.57 1nbu s TYR 19 Ca -0.12 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1nbu s TYR 19 Cb 0.02 -1.29 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 1nbu s TYR 19 CO 0.88 0.55 1.36 -0.44 -1.11 0.00 0.00 175.55 176.80 1nbu h ASP 20 N 2.44 0.25 -0.76 2.29 3.32 -2.01 0.13 116.42 122.08 1nbu h ASP 20 Ca -0.46 -0.21 0.03 0.00 0.02 0.00 0.00 57.03 56.41 1nbu h ASP 20 Cb 1.22 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.65 1nbu h ASP 20 CO 0.58 1.02 0.50 1.12 -1.72 0.00 0.00 179.24 180.75 1nbu h HIS 21 N 0.10 0.91 0.00 4.55 2.07 -1.99 -0.16 115.15 120.63 1nbu h HIS 21 Ca -0.05 0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.49 1nbu h HIS 21 Cb 1.54 -0.31 -0.00 0.00 2.57 0.00 0.00 27.41 31.21 1nbu h HIS 21 CO 0.03 0.54 -0.03 0.93 -3.07 0.00 0.00 177.93 176.33 1nbu h GLU 22 N 0.95 0.00 0.00 5.12 5.08 -1.10 -2.93 114.58 121.69 1nbu h GLU 22 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1nbu h GLU 22 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1nbu h GLU 22 CO -0.08 0.03 -0.99 0.54 -1.00 0.00 0.00 179.01 177.51 1nbu n ARG 23 N -3.29 0.26 0.12 2.33 1.74 -0.08 -2.96 116.66 114.77 1nbu n ARG 23 Ca -0.02 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.92 1nbu n ARG 23 Cb 0.16 -1.58 -0.08 0.00 -1.02 0.00 0.00 32.46 29.94 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 0.87 0.00 1.55 2.07 -1.42 -3.37 116.25 115.96 1nbu h VAL 24 Ca 0.00 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.04 1nbu h VAL 24 Cb 0.71 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1nbu h VAL 24 CO 0.00 0.08 -1.66 0.00 0.02 0.00 0.00 177.57 176.00 1nbu n ALA 25 N -2.30 1.95 0.00 1.67 0.00 -1.26 -5.12 120.51 115.45 1nbu n ALA 25 Ca -0.09 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1nbu n ALA 25 Cb 0.18 -0.10 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 2.19 -2.14 3.85 0.00 0.00 -1.16 -4.94 105.19 102.99 1nbu n GLY 26 Ca -0.13 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.18 1.76 0.01 1.61 -2.07 0.17 -4.97 119.66 115.99 1nbu s GLN 27 Ca 0.00 -1.13 -0.28 0.00 -1.82 0.00 0.00 55.36 52.13 1nbu s GLN 27 Cb 0.00 0.49 -0.04 0.00 -1.09 0.00 0.00 33.01 32.37 1nbu s GLN 27 CO 0.00 -0.82 0.88 0.50 -1.32 0.00 0.00 175.29 174.52 1nbu s ARG 28 N -2.21 4.54 0.02 9.60 3.52 -1.26 -1.65 118.95 131.51 1nbu s ARG 28 Ca 0.19 1.24 0.06 0.00 -0.13 0.00 0.00 55.73 57.09 1nbu s ARG 28 Cb -0.04 -3.43 -0.03 0.00 -1.56 0.00 0.00 34.95 29.89 1nbu s ARG 28 CO 0.08 0.07 -0.14 -0.06 -0.81 0.00 0.00 175.30 174.44 1nbu s PHE 29 N 0.63 2.66 -0.09 5.12 0.40 -0.10 -4.36 117.98 122.24 1nbu s PHE 29 Ca 0.46 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.61 1nbu s PHE 29 Cb -0.20 -1.52 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1nbu s PHE 29 CO 0.25 0.28 -0.11 0.08 0.70 0.00 0.00 175.22 176.42 1nbu s VAL 30 N -0.93 1.14 -0.07 -0.44 1.01 -0.77 -0.83 120.40 119.51 1nbu s VAL 30 Ca 0.15 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1nbu s VAL 30 Cb -0.11 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1nbu s VAL 30 CO 0.06 0.37 -0.18 -0.63 0.00 0.00 0.00 175.10 174.72 1nbu s ILE 31 N 1.09 2.72 0.01 2.22 -1.09 0.69 -0.42 121.20 126.41 1nbu s ILE 31 Ca -0.06 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.57 1nbu s ILE 31 Cb -0.14 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.64 1nbu s ILE 31 CO -0.02 0.57 -0.12 -1.81 -1.23 0.00 0.00 174.94 172.34 1nbu s ASP 32 N -0.29 4.26 -0.04 3.58 1.01 -0.35 -0.71 116.67 124.13 1nbu s ASP 32 Ca 0.01 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.05 1nbu s ASP 32 Cb -0.13 -0.89 0.02 0.00 1.01 0.00 0.00 42.92 42.93 1nbu s ASP 32 CO 0.03 0.28 -0.06 -0.69 0.21 0.00 0.00 175.17 174.94 1nbu s VAL 33 N -0.93 0.61 -0.16 -1.27 1.01 -0.23 -0.78 120.40 118.65 1nbu s VAL 33 Ca 0.15 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1nbu s VAL 33 Cb -0.11 -0.59 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1nbu s VAL 33 CO 0.06 0.22 -0.17 -0.89 0.00 0.00 0.00 175.10 174.32 1nbu s THR 34 N 0.64 1.78 -0.30 3.92 2.01 -0.11 -0.84 115.64 122.74 1nbu s THR 34 Ca -0.09 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.10 1nbu s THR 34 Cb -0.12 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.78 1nbu s THR 34 CO 0.01 0.49 0.05 -0.69 -0.69 0.00 0.00 174.62 173.79 1nbu s VAL 35 N 1.39 3.55 -0.31 3.82 1.01 0.20 -1.06 120.40 129.00 1nbu s VAL 35 Ca 0.05 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 1nbu s VAL 35 Cb -0.13 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1nbu s VAL 35 CO -0.11 -0.01 0.75 0.26 0.00 0.00 0.00 175.10 175.99 1nbu s TRP 36 N 1.40 3.21 -0.04 5.22 0.51 -0.43 0.06 118.94 128.86 1nbu s TRP 36 Ca -0.00 0.76 -0.22 0.00 -2.12 0.00 0.00 56.10 54.51 1nbu s TRP 36 Cb -0.18 -3.16 0.05 0.00 -0.81 0.00 0.00 33.47 29.36 1nbu s TRP 36 CO 0.01 -0.54 0.49 -1.50 -0.51 0.00 0.00 176.95 174.89 1nbu s ILE 37 N 2.87 0.03 0.03 2.03 2.07 -1.10 -0.79 121.20 126.34 1nbu s ILE 37 Ca 0.31 -0.23 -0.30 0.00 -1.41 0.00 0.00 60.65 59.01 1nbu s ILE 37 Cb -0.14 -0.79 -0.05 0.00 0.13 0.00 0.00 42.46 41.60 1nbu s ILE 37 CO 0.12 -0.13 1.21 -0.62 -1.91 0.00 0.00 174.94 173.62 1nbu s ASP 38 N -1.13 7.06 -0.05 4.50 -1.08 -1.26 -4.31 116.67 120.40 1nbu s ASP 38 Ca -0.11 1.98 0.12 0.00 -0.52 0.00 0.00 52.55 54.02 1nbu s ASP 38 Cb -0.03 -2.57 0.37 0.00 -1.46 0.00 0.00 42.92 39.22 1nbu s ASP 38 CO 0.06 -0.51 1.30 0.18 0.52 0.00 0.00 175.17 176.72 1nbu n LEU 39 N 4.31 3.19 -0.15 -1.34 4.77 -1.26 -4.59 117.00 121.93 1nbu n LEU 39 Ca 0.10 -2.29 -0.10 0.00 -0.03 0.00 0.00 56.01 53.68 1nbu n LEU 39 Cb 0.46 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1nbu n LEU 39 CO 0.56 0.71 0.77 0.00 -1.33 0.00 0.00 177.39 178.10 1nbu h ALA 40 N 1.94 0.57 -0.36 -1.18 0.00 -1.94 -2.35 119.26 115.93 1nbu h ALA 40 Ca 0.00 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.52 1nbu h ALA 40 Cb 0.93 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1nbu h ALA 40 CO 0.06 0.38 -0.21 1.49 0.00 0.00 0.00 179.25 180.98 1nbu h GLU 41 N 0.60 0.70 -0.10 0.00 4.57 -1.89 -0.68 114.58 117.78 1nbu h GLU 41 Ca 0.12 -0.27 -0.08 0.00 -1.18 0.00 0.00 59.36 57.95 1nbu h GLU 41 Cb 0.52 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1nbu h GLU 41 CO 0.03 0.85 -0.30 0.00 -1.18 0.00 0.00 179.01 178.41 1nbu h ALA 42 N 1.15 1.31 -0.47 2.92 0.00 -1.70 0.10 119.26 122.57 1nbu h ALA 42 Ca 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1nbu h ALA 42 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1nbu h ALA 42 CO 0.05 0.48 -0.05 0.00 0.00 0.00 0.00 179.25 179.73 1nbu h ALA 43 N 1.53 1.02 0.09 0.00 0.00 -0.96 0.39 119.26 121.32 1nbu h ALA 43 Ca 0.02 -0.29 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 1nbu h ALA 43 Cb 0.62 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1nbu h ALA 43 CO 0.05 0.60 -1.14 -0.91 0.00 0.00 0.00 179.25 177.85 1nbu h ASN 44 N 0.75 0.50 0.78 0.00 -0.26 -0.24 -3.33 115.58 113.78 1nbu h ASN 44 Ca 0.14 -0.48 -0.15 0.00 -0.56 0.00 0.00 56.30 55.24 1nbu h ASN 44 Cb 0.53 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.60 1nbu h ASN 44 CO 0.03 1.33 -1.32 0.77 -1.06 0.00 0.00 177.43 177.18 1nbu h SER 45 N 0.14 0.00 -2.89 5.81 4.64 -0.81 -3.48 113.55 116.97 1nbu h SER 45 Ca -0.12 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.79 1nbu h SER 45 Cb 1.82 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.88 1nbu h SER 45 CO 0.19 0.53 -0.51 -0.67 -0.87 0.00 0.00 176.83 175.51 1nbu n ASP 46 N -2.90 -5.74 -4.28 4.97 2.03 0.13 -4.98 116.55 105.79 1nbu n ASP 46 Ca -0.08 0.04 -0.34 0.00 0.52 0.00 0.00 54.79 54.93 1nbu n ASP 46 Cb 0.81 -4.81 -0.15 0.00 -0.72 0.00 0.00 41.12 36.26 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 -2.11 3.97 0.43 1.67 2.15 -1.25 -5.02 116.67 116.52 1nbu s ASP 47 Ca 0.00 -0.43 0.15 0.00 0.43 0.00 0.00 52.55 52.70 1nbu s ASP 47 Cb 0.00 -1.65 1.05 0.00 -0.30 0.00 0.00 42.92 42.02 1nbu s ASP 47 CO 0.00 0.03 1.93 0.25 -0.17 0.00 0.00 175.17 177.21 1nbu h LEU 48 N 7.74 0.38 -0.31 -1.34 5.85 -1.93 -0.17 115.31 125.53 1nbu h LEU 48 Ca -0.39 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1nbu h LEU 48 Cb 1.17 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1nbu h LEU 48 CO 0.60 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 1nbu n ALA 49 N -2.52 1.39 1.31 1.25 0.00 -1.26 -1.51 120.51 119.17 1nbu n ALA 49 Ca 0.13 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.73 1nbu n ALA 49 Cb 0.49 -1.21 0.46 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.73 0.86 -3.18 0.00 8.00 -0.08 -4.90 116.55 115.52 1nbu n ASP 50 Ca 0.02 -0.81 -0.17 0.00 0.71 0.00 0.00 54.79 54.54 1nbu n ASP 50 Cb 0.11 0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.72 0.00 -3.28 -3.53 5.66 -0.57 -4.22 114.28 107.62 1nbu n THR 51 Ca 0.13 -1.39 -0.42 0.00 -3.05 0.00 0.00 64.05 59.32 1nbu n THR 51 Cb 0.32 0.40 -0.08 0.00 -1.55 0.00 0.00 70.33 69.42 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 -2.27 3.16 -0.11 1.09 6.14 -1.26 -4.99 117.35 119.10 1nbu s TYR 52 Ca 0.07 -0.15 -0.29 0.00 0.64 0.00 0.00 57.07 57.33 1nbu s TYR 52 Cb 0.00 -2.93 -0.05 0.00 0.42 0.00 0.00 41.96 39.40 1nbu s TYR 52 CO 0.05 -0.65 1.72 0.34 0.64 0.00 0.00 175.55 177.65 1nbu s ASP 53 N 1.82 6.45 0.57 4.32 2.15 -1.26 -4.85 116.67 125.87 1nbu s ASP 53 Ca 0.15 2.05 0.32 0.00 0.43 0.00 0.00 52.55 55.50 1nbu s ASP 53 Cb -0.16 -2.53 1.71 0.00 -0.30 0.00 0.00 42.92 41.63 1nbu s ASP 53 CO 0.14 -1.13 2.15 0.10 -0.17 0.00 0.00 175.17 176.26 1nbu h TYR 54 N 10.48 0.00 0.26 -5.34 -0.00 -1.99 -2.09 116.97 118.29 1nbu h TYR 54 Ca -0.39 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.33 1nbu h TYR 54 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 1nbu h TYR 54 CO 0.91 0.06 -0.12 0.28 -0.00 0.00 0.00 178.16 179.28 1nbu h VAL 55 N 0.00 0.79 -0.03 -0.90 2.07 -2.00 0.49 116.25 116.68 1nbu h VAL 55 Ca -0.00 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1nbu h VAL 55 Cb 0.24 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1nbu h VAL 55 CO 0.01 0.11 -0.41 0.03 0.02 0.00 0.00 177.57 177.33 1nbu h ARG 56 N -0.62 0.07 0.21 1.57 2.47 -1.91 -2.51 114.38 113.66 1nbu h ARG 56 Ca -0.04 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1nbu h ARG 56 Cb 0.44 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.74 1nbu h ARG 56 CO 0.06 0.47 -0.23 1.25 0.56 0.00 0.00 179.97 182.08 1nbu h LEU 57 N 0.06 -0.61 -1.19 3.04 6.46 -1.04 -1.36 115.31 120.67 1nbu h LEU 57 Ca 0.00 0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 1nbu h LEU 57 Cb 0.76 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 1nbu h LEU 57 CO 0.06 -0.33 -0.08 0.00 -0.62 0.00 0.00 178.44 177.46 1nbu h ALA 58 N 0.23 1.33 0.15 1.25 0.00 -0.81 -0.96 119.26 120.44 1nbu h ALA 58 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 54.38 1nbu h ALA 58 Cb 0.45 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1nbu h ALA 58 CO -0.06 0.45 -1.29 0.66 0.00 0.00 0.00 179.25 179.01 1nbu h SER 59 N 0.43 0.74 -0.25 0.00 4.64 -1.26 -1.94 113.55 115.92 1nbu h SER 59 Ca 0.09 -0.73 -0.11 0.00 -0.47 0.00 0.00 61.79 60.57 1nbu h SER 59 Cb 0.42 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1nbu h SER 59 CO 0.02 1.55 -0.24 -0.09 -0.87 0.00 0.00 176.83 177.20 1nbu h ARG 60 N 0.19 0.73 -0.60 4.77 9.65 -1.18 0.08 114.38 128.01 1nbu h ARG 60 Ca -0.19 -0.29 -0.05 0.00 -1.10 0.00 0.00 59.98 58.35 1nbu h ARG 60 Cb 1.97 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 30.49 1nbu h ARG 60 CO 0.24 0.89 0.19 0.00 2.80 0.00 0.00 179.97 184.09 1nbu h ALA 61 N 1.10 0.79 -0.47 2.80 0.00 -1.16 -1.77 119.26 120.55 1nbu h ALA 61 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nbu h ALA 61 Cb 0.73 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1nbu h ALA 61 CO 0.06 0.46 0.25 0.00 0.00 0.00 0.00 179.25 180.01 1nbu h ALA 62 N 1.06 0.60 -0.56 0.00 0.00 -1.01 -1.58 119.26 117.76 1nbu h ALA 62 Ca 0.19 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.09 1nbu h ALA 62 Cb 0.29 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1nbu h ALA 62 CO -0.01 0.14 0.19 0.93 0.00 0.00 0.00 179.25 180.50 1nbu h GLU 63 N 0.61 0.35 -0.42 0.00 5.08 -0.72 0.21 114.58 119.68 1nbu h GLU 63 Ca 0.16 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1nbu h GLU 63 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1nbu h GLU 63 CO -0.02 0.23 0.12 0.82 -1.00 0.00 0.00 179.01 179.16 1nbu h ILE 64 N 0.36 1.22 -0.29 3.13 2.04 -0.87 -2.42 117.51 120.68 1nbu h ILE 64 Ca 0.28 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.29 1nbu h ILE 64 Cb 0.34 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 1nbu h ILE 64 CO -0.30 0.26 -0.28 0.58 0.00 0.00 0.00 178.15 178.42 1nbu h VAL 65 N 0.54 1.28 0.00 1.67 2.07 -0.71 -2.36 116.25 118.74 1nbu h VAL 65 Ca 0.14 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1nbu h VAL 65 Cb 0.28 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1nbu h VAL 65 CO -0.00 0.44 0.00 0.00 0.02 0.00 0.00 177.57 178.02 1nbu n ALA 66 N -2.49 1.92 -1.00 1.67 0.00 0.01 -4.50 120.51 116.11 1nbu n ALA 66 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1nbu n ALA 66 Cb 0.44 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1nbu n ALA 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nbu n GLY 67 N 0.55 -0.93 3.65 0.00 0.00 -0.89 -4.89 105.19 102.69 1nbu n GLY 67 Ca 0.04 -1.63 -0.46 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.34 1.86 -2.18 1.61 -0.02 -1.26 -4.75 135.00 129.92 1nbu n PRO 68 Ca 0.00 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 1nbu n PRO 68 Cb 0.00 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1nbu n PRO 68 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1nbu s PRO 69 N -0.34 3.64 0.34 0.52 0.04 -1.26 -4.99 135.00 132.94 1nbu s PRO 69 Ca 0.70 1.84 0.07 0.00 0.04 0.00 0.00 61.00 63.65 1nbu s PRO 69 Cb -0.69 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.46 1nbu s PRO 69 CO 0.50 -0.67 0.35 1.03 0.04 0.00 0.00 177.00 178.25 1nbu s ARG 70 N -2.76 2.86 -0.02 4.56 1.81 -1.26 -4.96 118.95 119.18 1nbu s ARG 70 Ca 0.65 -1.20 -0.22 0.00 -1.72 0.00 0.00 55.73 53.25 1nbu s ARG 70 Cb -0.30 -2.60 -0.24 0.00 -0.45 0.00 0.00 34.95 31.36 1nbu s ARG 70 CO 0.36 0.08 1.04 0.87 -0.68 0.00 0.00 175.30 176.98 1nbu h LYS 71 N 1.12 0.30 -5.91 3.54 1.57 -1.96 -2.14 116.57 113.10 1nbu h LYS 71 Ca -0.45 -0.34 -0.66 0.00 -1.87 0.00 0.00 60.65 57.32 1nbu h LYS 71 Cb 1.25 0.10 -0.10 0.00 0.08 0.00 0.00 32.23 33.57 1nbu h LYS 71 CO 0.56 1.05 -0.56 -0.51 -0.57 0.00 0.00 179.45 179.42 1nbu s LEU 72 N -8.35 3.97 0.51 2.94 1.43 -1.26 -2.79 118.68 115.13 1nbu s LEU 72 Ca -0.14 0.23 0.30 0.00 -1.03 0.00 0.00 54.13 53.48 1nbu s LEU 72 Cb 0.02 -2.17 1.28 0.00 0.03 0.00 0.00 46.19 45.35 1nbu s LEU 72 CO 0.79 0.32 1.96 0.16 0.23 0.00 0.00 176.35 179.81 1nbu h ILE 73 N 3.53 0.29 -0.91 -0.59 3.07 -1.96 -2.29 117.51 118.65 1nbu h ILE 73 Ca -0.51 -0.71 0.18 0.00 1.55 0.00 0.00 64.86 65.37 1nbu h ILE 73 Cb 1.19 1.55 -0.11 0.00 -0.27 0.00 0.00 36.82 39.19 1nbu h ILE 73 CO 0.60 0.10 0.48 -0.33 -1.05 0.00 0.00 178.15 177.95 1nbu h GLU 74 N 0.00 0.59 0.00 0.16 3.07 -1.94 -1.22 114.58 115.23 1nbu h GLU 74 Ca -0.00 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1nbu h GLU 74 Cb 0.54 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1nbu h GLU 74 CO 0.01 0.39 -0.44 0.00 -1.40 0.00 0.00 179.01 177.57 1nbu h THR 75 N 0.60 0.32 -0.14 1.13 1.03 -1.83 -1.25 112.91 112.79 1nbu h THR 75 Ca 0.52 -1.48 -0.01 0.00 -0.01 0.00 0.00 66.41 65.43 1nbu h THR 75 Cb 0.84 2.07 -0.01 0.00 -1.07 0.00 0.00 68.15 69.98 1nbu h THR 75 CO -0.41 0.18 0.06 0.58 -0.01 0.00 0.00 175.52 175.92 1nbu h VAL 76 N 0.00 1.14 -1.00 0.00 2.07 -1.45 -2.28 116.25 114.73 1nbu h VAL 76 Ca -0.02 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1nbu h VAL 76 Cb 1.18 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.07 1nbu h VAL 76 CO 0.03 0.13 0.66 1.23 0.02 0.00 0.00 177.57 179.64 1nbu h GLY 77 N 0.07 1.43 1.92 2.17 0.00 -1.09 -2.07 103.07 105.52 1nbu h GLY 77 Ca 0.05 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.75 1nbu h GLY 77 CO -0.00 0.48 -0.48 0.00 0.00 0.00 0.00 176.54 176.54 1nbu h ALA 78 N 1.39 1.14 -0.19 3.60 0.00 -1.19 -0.83 119.26 123.17 1nbu h ALA 78 Ca 0.38 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1nbu h ALA 78 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1nbu h ALA 78 CO -0.10 0.62 -0.65 1.49 0.00 0.00 0.00 179.25 180.60 1nbu h GLU 79 N 0.07 0.72 -0.37 0.00 4.81 -0.78 -0.59 114.58 118.44 1nbu h GLU 79 Ca 0.00 -0.52 -0.06 0.00 -0.13 0.00 0.00 59.36 58.66 1nbu h GLU 79 Cb 0.87 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1nbu h GLU 79 CO 0.07 1.14 0.01 0.82 -0.73 0.00 0.00 179.01 180.31 1nbu h ILE 80 N 0.52 1.26 -0.69 2.32 2.04 -1.27 -2.37 117.51 119.32 1nbu h ILE 80 Ca -0.02 -0.98 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1nbu h ILE 80 Cb 1.25 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1nbu h ILE 80 CO 0.13 0.33 0.35 0.00 0.00 0.00 0.00 178.15 178.96 1nbu h ALA 81 N 0.87 0.89 -0.01 1.87 0.00 -1.08 -1.53 119.26 120.28 1nbu h ALA 81 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 1nbu h ALA 81 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1nbu h ALA 81 CO 0.02 0.44 -0.36 -0.44 0.00 0.00 0.00 179.25 178.91 1nbu h ASP 82 N 0.96 0.02 -0.31 0.00 3.32 -1.05 -0.69 116.42 118.67 1nbu h ASP 82 Ca 0.24 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.24 1nbu h ASP 82 Cb 0.09 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1nbu h ASP 82 CO -0.03 0.38 0.01 -0.74 -1.72 0.00 0.00 179.24 177.14 1nbu h HIS 83 N 0.02 0.58 -0.33 4.55 -0.00 -0.82 -2.58 115.15 116.57 1nbu h HIS 83 Ca -0.00 -0.10 -0.06 0.00 -0.00 0.00 0.00 60.37 60.21 1nbu h HIS 83 Cb 0.65 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.89 1nbu h HIS 83 CO 0.00 0.66 -0.05 0.28 -0.00 0.00 0.00 177.93 178.82 1nbu h VAL 84 N 0.34 1.21 0.00 5.26 2.07 -0.87 -2.30 116.25 121.97 1nbu h VAL 84 Ca 0.09 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1nbu h VAL 84 Cb 0.42 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1nbu h VAL 84 CO 0.01 0.30 0.00 0.23 0.02 0.00 0.00 177.57 178.13 1nbu n MET 85 N -4.25 0.27 0.25 1.57 2.00 -0.31 -2.30 117.12 114.36 1nbu n MET 85 Ca 0.01 0.10 0.13 0.00 0.00 0.00 0.00 57.70 57.94 1nbu n MET 85 Cb 0.28 -1.50 0.57 0.00 0.00 0.00 0.00 33.22 32.57 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 -3.11 7.83 3.45 -1.15 -3.38 116.42 120.06 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 0.19 0.00 -0.08 0.00 -0.56 0.00 0.00 39.33 38.88 1nbu h ASP 86 CO 0.00 0.14 0.92 -0.62 -1.57 0.00 0.00 179.24 178.11 1nbu s ASP 87 N -6.02 6.40 0.58 6.45 -1.08 -0.97 -4.90 116.67 117.13 1nbu s ASP 87 Ca 0.00 -0.03 0.33 0.00 -0.52 0.00 0.00 52.55 52.33 1nbu s ASP 87 Cb 0.10 -2.53 1.36 0.00 -1.46 0.00 0.00 42.92 40.39 1nbu s ASP 87 CO 0.60 -1.48 1.66 -0.61 0.52 0.00 0.00 175.17 175.86 1nbu h GLN 88 N 9.56 0.00 0.00 4.34 5.75 -1.88 0.23 115.11 133.11 1nbu h GLN 88 Ca -0.25 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.25 1nbu h GLN 88 Cb 1.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.61 1nbu h GLN 88 CO 1.18 0.00 0.00 0.00 -2.65 0.00 0.00 178.83 177.36 1nbu h ARG 89 N 0.00 0.00 -6.14 1.69 3.08 -1.92 -3.44 114.38 107.65 1nbu h ARG 89 Ca 0.47 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.96 1nbu h ARG 89 Cb 2.26 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 32.27 1nbu h ARG 89 CO -0.00 0.00 0.27 0.08 -1.07 0.00 0.00 179.97 179.25 1nbu s VAL 90 N -3.34 4.94 0.00 2.04 1.01 0.82 -4.45 120.40 121.42 1nbu s VAL 90 Ca 0.05 1.71 -0.15 0.00 0.00 0.00 0.00 61.98 63.59 1nbu s VAL 90 Cb 0.10 -4.16 -0.34 0.00 0.00 0.00 0.00 36.38 31.97 1nbu s VAL 90 CO 0.47 0.16 0.90 0.45 0.00 0.00 0.00 175.10 177.08 1nbu h HIS 91 N 6.92 0.88 -2.69 5.22 3.86 -1.27 -3.43 115.15 124.64 1nbu h HIS 91 Ca -0.38 -0.65 0.08 0.00 -1.16 0.00 0.00 60.37 58.27 1nbu h HIS 91 Cb 1.19 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 29.52 1nbu h HIS 91 CO 0.68 1.58 0.34 0.00 0.86 0.00 0.00 177.93 181.39 1nbu s ALA 92 N -2.58 -1.55 -0.01 2.45 0.00 -1.20 -1.87 121.76 117.00 1nbu s ALA 92 Ca -0.11 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1nbu s ALA 92 Cb 0.04 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1nbu s ALA 92 CO 0.91 -0.90 0.24 0.54 0.00 0.00 0.00 175.76 176.55 1nbu s VAL 93 N -3.56 0.07 -0.05 0.00 0.11 -0.68 -1.32 120.40 114.97 1nbu s VAL 93 Ca 0.07 -0.55 0.03 0.00 -2.93 0.00 0.00 61.98 58.60 1nbu s VAL 93 Cb -0.03 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 1nbu s VAL 93 CO -0.03 -0.30 -0.12 -1.61 -3.33 0.00 0.00 175.10 169.71 1nbu s GLU 94 N -1.32 1.48 -0.20 1.54 2.02 -0.23 -1.68 118.70 120.32 1nbu s GLU 94 Ca -0.14 -0.43 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1nbu s GLU 94 Cb -0.06 -1.28 0.03 0.00 0.10 0.00 0.00 34.13 32.92 1nbu s GLU 94 CO 0.03 0.11 -0.16 0.08 0.02 0.00 0.00 175.26 175.34 1nbu s VAL 95 N 0.36 2.01 -0.26 2.63 1.01 -0.06 -0.93 120.40 125.16 1nbu s VAL 95 Ca -0.08 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 1nbu s VAL 95 Cb -0.12 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1nbu s VAL 95 CO 0.02 0.35 0.23 0.00 0.00 0.00 0.00 175.10 175.71 1nbu s ALA 96 N 1.27 3.56 -0.32 5.51 0.00 0.04 -0.28 121.76 131.54 1nbu s ALA 96 Ca 0.01 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.94 1nbu s ALA 96 Cb -0.15 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.49 1nbu s ALA 96 CO -0.10 -0.47 0.11 0.08 0.00 0.00 0.00 175.76 175.38 1nbu s VAL 97 N 1.63 4.10 -0.10 0.00 1.01 -0.75 -1.21 120.40 125.08 1nbu s VAL 97 Ca 0.10 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 1nbu s VAL 97 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1nbu s VAL 97 CO 0.09 -0.03 0.11 -1.00 0.00 0.00 0.00 175.10 174.27 1nbu s HIS 98 N 1.50 3.47 -0.60 5.22 0.09 0.44 -2.01 115.29 123.40 1nbu s HIS 98 Ca 0.02 0.42 0.06 0.00 -0.00 0.00 0.00 55.06 55.56 1nbu s HIS 98 Cb -0.18 -1.88 0.24 0.00 -0.00 0.00 0.00 32.58 30.76 1nbu s HIS 98 CO 0.04 0.66 0.69 1.17 -0.00 0.00 0.00 174.74 177.29 1nbu n LYS 99 N 1.88 2.14 0.01 1.40 4.81 0.36 -1.84 118.16 126.93 1nbu n LYS 99 Ca -0.18 -4.39 0.09 0.00 -0.87 0.00 0.00 58.31 52.96 1nbu n LYS 99 Cb 0.54 -2.06 0.38 0.00 0.02 0.00 0.00 35.03 33.91 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 0.02 -0.53 1.64 -0.04 -1.26 -1.70 135.00 134.15 1nbu n PRO 100 Ca 0.28 0.22 0.08 0.00 -0.04 0.00 0.00 63.50 64.04 1nbu n PRO 100 Cb 0.43 -1.53 0.29 0.00 -0.04 0.00 0.00 33.50 32.64 1nbu n PRO 100 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nbu n GLN 101 N -1.57 3.36 -1.62 0.54 6.02 -1.26 -4.81 117.38 118.05 1nbu n GLN 101 Ca 0.04 -2.88 -0.49 0.00 -0.01 0.00 0.00 57.00 53.66 1nbu n GLN 101 Cb 0.21 -1.91 -0.05 0.00 1.02 0.00 0.00 30.24 29.51 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 -0.18 -0.05 -2.28 -1.58 0.00 -0.69 -4.78 120.51 110.95 1nbu n ALA 102 Ca 0.22 0.48 -0.43 0.00 0.00 0.00 0.00 53.44 53.71 1nbu n ALA 102 Cb 0.94 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 2.60 3.10 -4.38 0.00 -0.04 -1.26 -4.92 135.00 130.10 1nbu n PRO 103 Ca 0.17 -3.08 -0.27 0.00 -0.04 0.00 0.00 63.50 60.28 1nbu n PRO 103 Cb 0.24 -3.36 -0.11 0.00 -0.04 0.00 0.00 33.50 30.23 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 3.47 2.59 0.46 0.52 -4.36 -1.26 -5.05 121.20 117.56 1nbu s ILE 104 Ca 0.50 -1.90 0.33 0.00 -0.26 0.00 0.00 60.65 59.32 1nbu s ILE 104 Cb 0.08 -2.25 0.36 0.00 1.25 0.00 0.00 42.46 41.89 1nbu s ILE 104 CO 0.01 -0.09 2.16 -0.65 0.24 0.00 0.00 174.94 176.61 1nbu h PRO 105 N 3.19 0.00 -7.34 0.37 0.10 -2.04 -3.45 132.00 122.83 1nbu h PRO 105 Ca -0.47 0.00 -0.51 0.00 0.10 0.00 0.00 66.00 65.12 1nbu h PRO 105 Cb 1.20 0.00 0.09 0.00 0.10 0.00 0.00 31.00 32.39 1nbu h PRO 105 CO 0.49 0.06 0.38 -0.65 0.10 0.00 0.00 178.00 178.38 1nbu s GLN 106 N -4.17 3.07 -0.27 1.05 1.11 -1.26 -5.04 119.66 114.15 1nbu s GLN 106 Ca -0.03 0.91 -0.13 0.00 0.01 0.00 0.00 55.36 56.12 1nbu s GLN 106 Cb 0.13 -2.01 -0.04 0.00 -1.01 0.00 0.00 33.01 30.07 1nbu s GLN 106 CO 0.53 -0.99 0.27 0.99 0.01 0.00 0.00 175.29 176.10 1nbu s THR 107 N -3.08 5.26 0.01 -0.19 2.01 -1.26 -5.06 115.64 113.33 1nbu s THR 107 Ca 0.57 0.34 -0.22 0.00 0.31 0.00 0.00 61.69 62.70 1nbu s THR 107 Cb -0.13 -3.60 0.05 0.00 0.01 0.00 0.00 72.50 68.82 1nbu s THR 107 CO 0.55 0.22 0.48 0.72 -0.69 0.00 0.00 174.62 175.90 1nbu s PHE 108 N 1.81 -0.38 -0.01 4.92 -0.12 -1.26 -5.08 117.98 117.86 1nbu s PHE 108 Ca 0.11 0.52 -0.19 0.00 -0.05 0.00 0.00 56.93 57.31 1nbu s PHE 108 Cb -0.16 0.27 -0.33 0.00 -0.63 0.00 0.00 43.02 42.18 1nbu s PHE 108 CO 0.10 -0.56 0.96 -0.44 -0.05 0.00 0.00 175.22 175.23 1nbu h ASP 109 N 3.13 0.65 -5.01 1.98 3.32 -1.97 -3.49 116.42 115.03 1nbu h ASP 109 Ca -0.30 -0.93 -0.07 0.00 0.02 0.00 0.00 57.03 55.76 1nbu h ASP 109 Cb 1.19 -0.21 -0.18 0.00 0.22 0.00 0.00 39.33 40.35 1nbu h ASP 109 CO 0.41 1.52 0.05 -0.62 -1.72 0.00 0.00 179.24 178.88 1nbu s ASP 110 N -7.23 -0.48 0.01 6.45 3.68 -1.26 -4.81 116.67 113.03 1nbu s ASP 110 Ca -0.12 0.35 0.02 0.00 2.13 0.00 0.00 52.55 54.93 1nbu s ASP 110 Cb 0.02 0.48 -0.01 0.00 -1.45 0.00 0.00 42.92 41.97 1nbu s ASP 110 CO 0.88 -0.65 -0.06 0.54 0.13 0.00 0.00 175.17 176.02 1nbu s VAL 111 N -1.87 0.40 0.18 1.11 0.11 -1.26 -5.01 120.40 114.06 1nbu s VAL 111 Ca -0.08 -0.52 -0.18 0.00 -2.93 0.00 0.00 61.98 58.26 1nbu s VAL 111 Cb -0.01 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.48 1nbu s VAL 111 CO 0.03 -0.09 0.52 0.00 -3.33 0.00 0.00 175.10 172.23 1nbu s ALA 112 N -0.60 -1.08 0.14 1.54 0.00 -1.26 -0.49 121.76 120.02 1nbu s ALA 112 Ca -0.03 -0.05 0.11 0.00 0.00 0.00 0.00 51.96 51.99 1nbu s ALA 112 Cb -0.05 0.83 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1nbu s ALA 112 CO -0.00 -0.77 -0.27 0.14 0.00 0.00 0.00 175.76 174.86 1nbu s VAL 113 N -3.84 2.26 -0.13 0.00 -7.23 -0.85 -4.99 120.40 105.62 1nbu s VAL 113 Ca 0.06 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 1nbu s VAL 113 Cb -0.01 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.94 1nbu s VAL 113 CO -0.06 0.06 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.88 1nbu s VAL 114 N -1.14 2.01 -0.15 1.32 1.01 -1.26 -1.80 120.40 120.39 1nbu s VAL 114 Ca 0.15 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1nbu s VAL 114 Cb -0.10 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1nbu s VAL 114 CO 0.06 0.54 -0.02 -0.63 0.00 0.00 0.00 175.10 175.06 1nbu s ILE 115 N 0.77 4.06 -0.06 2.22 -1.09 0.62 -4.91 121.20 122.80 1nbu s ILE 115 Ca -0.09 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.07 1nbu s ILE 115 Cb -0.16 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 1nbu s ILE 115 CO -0.01 0.50 -0.18 -0.60 -1.23 0.00 0.00 174.94 173.43 1nbu s ARG 116 N 0.20 2.61 0.12 2.79 3.52 -1.26 -0.88 118.95 126.05 1nbu s ARG 116 Ca -0.01 -0.76 0.09 0.00 -0.13 0.00 0.00 55.73 54.92 1nbu s ARG 116 Cb -0.13 -2.34 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 1nbu s ARG 116 CO 0.02 0.50 -0.21 1.03 -0.81 0.00 0.00 175.30 175.83 1nbu s ARG 117 N -0.43 1.21 0.15 5.12 1.81 -0.67 -5.00 118.95 121.13 1nbu s ARG 117 Ca 0.05 -1.25 -0.05 0.00 -1.72 0.00 0.00 55.73 52.76 1nbu s ARG 117 Cb -0.12 -1.47 -0.03 0.00 -0.45 0.00 0.00 34.95 32.88 1nbu s ARG 117 CO 0.02 0.34 0.16 -1.54 -0.68 0.00 0.00 175.30 173.60 1nbu s SER 118 N -2.10 0.18 0.00 0.23 1.04 -1.26 -1.69 113.70 110.11 1nbu s SER 118 Ca 0.10 -1.05 0.14 0.00 0.48 0.00 0.00 55.95 55.63 1nbu s SER 118 Cb -0.09 0.36 0.86 0.00 0.10 0.00 0.00 66.02 67.25 1nbu s SER 118 CO 0.05 -0.81 1.28 0.54 0.98 0.00 0.00 173.24 175.29