#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu0 s SER 2 N 0.00 6.56 -1.37 1.61 0.15 -1.26 -4.02 113.70 115.37 2yu0 s SER 2 Ca 0.00 -1.91 -0.08 0.00 0.70 0.00 0.00 55.95 54.66 2yu0 s SER 2 Cb 0.00 -2.58 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2yu0 s SER 2 CO 0.00 -1.45 1.04 -1.20 1.20 0.00 0.00 173.24 172.83 2yu0 n SER 3 N 9.05 -6.26 0.00 5.45 7.64 -1.26 -4.65 113.62 123.60 2yu0 n SER 3 Ca 0.41 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2yu0 n SER 3 Cb 0.48 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.76 2yu0 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 4 N -1.89 -0.05 4.25 0.23 0.00 -1.26 -4.96 105.19 101.51 2yu0 n GLY 4 Ca -0.02 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 2yu0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu0 n SER 5 N 1.35 0.16 -2.01 1.61 7.64 -1.26 -4.30 113.62 116.81 2yu0 n SER 5 Ca 0.00 -1.26 -0.18 0.00 1.01 0.00 0.00 58.87 58.44 2yu0 n SER 5 Cb 0.00 -1.75 0.01 0.00 -1.01 0.00 0.00 64.21 61.47 2yu0 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yu0 n SER 6 N -2.80 6.44 -2.07 6.43 3.41 -1.26 -4.72 113.62 119.04 2yu0 n SER 6 Ca -0.30 -3.08 -0.12 0.00 -0.26 0.00 0.00 58.87 55.12 2yu0 n SER 6 Cb 0.68 -1.10 -0.15 0.00 -0.26 0.00 0.00 64.21 63.38 2yu0 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu0 n GLY 7 N 0.51 2.88 3.71 5.00 0.00 -1.26 -4.91 105.19 111.11 2yu0 n GLY 7 Ca 0.34 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2yu0 n GLY 7 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2yu0 s ILE 8 N 1.19 3.91 0.13 -0.61 1.01 -1.26 -5.03 121.20 120.54 2yu0 s ILE 8 Ca 0.62 1.36 0.09 0.00 0.00 0.00 0.00 60.65 62.72 2yu0 s ILE 8 Cb 0.29 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.85 2yu0 s ILE 8 CO -0.00 0.09 -0.22 0.54 0.00 0.00 0.00 174.94 175.35 2yu0 s VAL 9 N 1.27 1.93 0.54 2.92 0.11 -1.26 -5.01 120.40 120.89 2yu0 s VAL 9 Ca 0.60 -1.73 0.32 0.00 -2.93 0.00 0.00 61.98 58.24 2yu0 s VAL 9 Cb -0.30 -1.78 0.49 0.00 -1.53 0.00 0.00 36.38 33.25 2yu0 s VAL 9 CO 0.29 -0.09 1.88 -0.07 -3.33 0.00 0.00 175.10 173.77 2yu0 h LEU 10 N 3.74 0.00 -1.14 2.54 4.07 -2.00 0.44 115.31 122.96 2yu0 h LEU 10 Ca -0.46 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.43 2yu0 h LEU 10 Cb 1.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.91 2yu0 h LEU 10 CO 0.43 0.00 -0.14 0.25 -1.08 0.00 0.00 178.44 177.90 2yu0 h LEU 11 N 0.00 0.42 -1.41 1.67 7.12 -1.95 -2.20 115.31 118.96 2yu0 h LEU 11 Ca 0.44 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.34 2yu0 h LEU 11 Cb 1.75 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.77 2yu0 h LEU 11 CO -0.00 0.59 0.18 -0.09 -0.13 0.00 0.00 178.44 178.99 2yu0 h ARG 12 N 0.41 0.00 -0.69 1.25 2.43 -0.51 -1.95 114.38 115.31 2yu0 h ARG 12 Ca 0.08 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.45 2yu0 h ARG 12 Cb 0.48 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 2yu0 h ARG 12 CO 0.03 0.00 0.53 0.78 -1.51 0.00 0.00 179.97 179.80 2yu0 h GLY 13 N 0.00 0.00 0.00 2.80 0.00 -1.50 0.19 103.07 104.56 2yu0 h GLY 13 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2yu0 h GLY 13 CO 0.00 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.89 2yu0 h LEU 14 N 0.00 0.00 -1.43 3.11 3.38 -1.60 -3.34 115.31 115.43 2yu0 h LEU 14 Ca 0.33 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2yu0 h LEU 14 Cb 1.39 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.11 2yu0 h LEU 14 CO -0.00 0.99 0.37 -0.33 0.09 0.00 0.00 178.44 179.56 2yu0 h GLU 15 N -1.00 0.75 -0.43 1.13 4.39 -1.52 -2.94 114.58 114.98 2yu0 h GLU 15 Ca -0.02 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.70 2yu0 h GLU 15 Cb 0.96 -0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 29.35 2yu0 h GLU 15 CO -0.01 0.50 -0.47 0.00 -1.16 0.00 0.00 179.01 177.88 2yu0 s ILE 17 N -5.79 2.80 0.37 0.00 -4.36 -1.11 -4.98 121.20 108.13 2yu0 s ILE 17 Ca -0.15 0.65 -0.26 0.00 -0.26 0.00 0.00 60.65 60.63 2yu0 s ILE 17 Cb 0.11 -3.35 -0.09 0.00 1.25 0.00 0.00 42.46 40.38 2yu0 s ILE 17 CO 0.64 0.04 1.16 0.20 0.24 0.00 0.00 174.94 177.22 2yu0 s ASN 18 N -1.05 6.69 0.43 4.36 0.01 -1.26 -4.71 114.94 119.42 2yu0 s ASN 18 Ca 0.61 2.34 0.37 0.00 -0.71 0.00 0.00 52.86 55.47 2yu0 s ASN 18 Cb -0.34 -2.62 1.38 0.00 0.41 0.00 0.00 41.25 40.08 2yu0 s ASN 18 CO 0.42 -0.56 1.30 0.29 -1.51 0.00 0.00 177.10 177.04 2yu0 n LYS 19 N 0.31 -0.01 0.22 -0.60 4.76 -1.26 0.49 118.16 122.06 2yu0 n LYS 19 Ca 0.03 0.95 -0.16 0.00 -2.87 0.00 0.00 58.31 56.26 2yu0 n LYS 19 Cb 0.46 -2.08 -0.08 0.00 -1.84 0.00 0.00 35.03 31.49 2yu0 n LYS 19 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2yu0 h HIS 20 N 0.00 -1.11 -0.35 2.13 -0.00 -2.02 -2.10 115.15 111.70 2yu0 h HIS 20 Ca 0.77 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 61.06 2yu0 h HIS 20 Cb 2.89 0.44 -0.01 0.00 -0.00 0.00 0.00 27.41 30.73 2yu0 h HIS 20 CO -0.00 -0.55 -0.13 1.88 -0.00 0.00 0.00 177.93 179.13 2yu0 h TYR 21 N -0.79 0.81 -1.02 5.26 0.05 -0.31 -3.04 116.97 117.94 2yu0 h TYR 21 Ca -0.02 -0.19 0.30 0.00 0.05 0.00 0.00 58.73 58.87 2yu0 h TYR 21 Cb 0.72 -0.19 -0.14 0.00 1.01 0.00 0.00 36.73 38.13 2yu0 h TYR 21 CO -0.25 0.89 0.59 0.35 -1.05 0.00 0.00 178.16 178.70 2yu0 h PHE 22 N 0.50 0.92 -1.01 4.88 3.57 -1.22 0.53 116.94 125.12 2yu0 h PHE 22 Ca 0.08 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.69 2yu0 h PHE 22 Cb 0.66 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.08 2yu0 h PHE 22 CO 0.06 -0.10 0.65 1.03 -2.23 0.00 0.00 178.31 177.72 2yu0 h SER 23 N 0.39 1.04 -0.39 0.41 0.87 -1.25 -1.95 113.55 112.68 2yu0 h SER 23 Ca 0.71 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 61.21 2yu0 h SER 23 Cb 1.58 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2yu0 h SER 23 CO -0.54 0.66 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.32 2yu0 h LEU 24 N 1.18 0.69 -0.65 2.23 4.07 -0.05 -3.03 115.31 119.75 2yu0 h LEU 24 Ca 0.43 -0.32 0.06 0.00 0.08 0.00 0.00 57.88 58.13 2yu0 h LEU 24 Cb 0.17 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 41.67 2yu0 h LEU 24 CO -0.17 0.85 0.36 0.15 -1.08 0.00 0.00 178.44 178.54 2yu0 h PHE 25 N 0.51 0.65 0.00 1.13 3.57 -0.95 0.27 116.94 122.12 2yu0 h PHE 25 Ca 0.11 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2yu0 h PHE 25 Cb 0.51 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 2yu0 h PHE 25 CO 0.04 0.31 -0.01 0.87 -2.23 0.00 0.00 178.31 177.29 2yu0 h LYS 26 N 0.66 0.00 -0.09 1.11 1.57 -1.27 -2.19 116.57 116.35 2yu0 h LYS 26 Ca 0.29 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.98 2yu0 h LYS 26 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 2yu0 h LYS 26 CO -0.18 0.01 -0.29 1.03 -0.57 0.00 0.00 179.45 179.45 2yu0 h SER 27 N 0.00 0.42 0.48 0.86 0.87 -0.83 0.48 113.55 115.83 2yu0 h SER 27 Ca -0.00 -0.61 -0.07 0.00 -1.23 0.00 0.00 61.79 59.88 2yu0 h SER 27 Cb 0.08 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 2yu0 h SER 27 CO 0.00 0.95 -0.35 -0.07 -0.53 0.00 0.00 176.83 176.83 2yu0 h LEU 28 N -0.09 0.00 0.00 2.23 3.38 -1.24 -2.91 115.31 116.68 2yu0 h LEU 28 Ca -0.01 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.74 2yu0 h LEU 28 Cb 0.92 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 2yu0 h LEU 28 CO 0.06 0.35 -1.50 -0.07 0.09 0.00 0.00 178.44 177.38 2yu0 h LEU 29 N 0.00 0.00 -0.84 1.67 -0.00 -1.42 -3.38 115.31 111.34 2yu0 h LEU 29 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.11 2yu0 h LEU 29 Cb 0.68 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.19 2yu0 h LEU 29 CO 0.05 0.76 0.01 0.00 -0.00 0.00 0.00 178.44 179.25 2yu0 n ALA 30 N -2.45 0.42 0.16 1.53 0.00 0.17 0.88 120.51 121.21 2yu0 n ALA 30 Ca -0.12 0.90 -0.14 0.00 0.00 0.00 0.00 53.44 54.08 2yu0 n ALA 30 Cb 0.93 -0.65 -0.08 0.00 0.00 0.00 0.00 19.45 19.64 2yu0 n ALA 30 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2yu0 h ARG 31 N 0.00 -0.34 0.52 0.00 -0.00 -1.74 1.05 114.38 113.87 2yu0 h ARG 31 Ca 0.51 0.02 -0.03 0.00 -0.00 0.00 0.00 59.98 60.48 2yu0 h ARG 31 Cb 1.03 0.08 0.01 0.00 -0.00 0.00 0.00 29.97 31.09 2yu0 h ARG 31 CO -0.79 -0.14 -0.25 -0.44 -0.00 0.00 0.00 179.97 178.35 2yu0 h ASP 32 N -0.49 -0.59 0.11 0.08 3.32 -0.16 -3.07 116.42 115.62 2yu0 h ASP 32 Ca -0.04 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2yu0 h ASP 32 Cb 0.36 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 2yu0 h ASP 32 CO 0.06 -0.33 -0.01 -0.07 -1.72 0.00 0.00 179.24 177.17 2yu0 h LEU 33 N -0.88 0.00 0.67 1.55 3.38 0.38 -3.45 115.31 116.96 2yu0 h LEU 33 Ca -0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 2yu0 h LEU 33 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2yu0 h LEU 33 CO 0.12 0.01 -0.13 -3.20 0.09 0.00 0.00 178.44 175.33 2yu0 n ASN 34 N -3.41 -2.58 -3.57 -0.43 5.15 0.34 -5.01 115.26 105.76 2yu0 n ASN 34 Ca -0.03 0.02 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 2yu0 n ASN 34 Cb 0.11 -1.65 0.29 0.00 -0.53 0.00 0.00 39.78 38.00 2yu0 n ASN 34 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2yu0 s LEU 35 N -1.50 -1.05 0.59 1.20 1.43 0.11 -4.93 118.68 114.52 2yu0 s LEU 35 Ca 0.00 1.00 -0.20 0.00 -1.03 0.00 0.00 54.13 53.90 2yu0 s LEU 35 Cb 0.00 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 2yu0 s LEU 35 CO 0.00 -5.37 1.27 -1.61 0.23 0.00 0.00 176.35 170.86 2yu0 s GLU 36 N -4.91 2.96 0.25 1.70 0.41 -1.26 -4.86 118.70 112.99 2yu0 s GLU 36 Ca 0.68 1.99 -0.03 0.00 -0.41 0.00 0.00 54.97 57.21 2yu0 s GLU 36 Cb -0.16 -2.02 0.32 0.00 -1.78 0.00 0.00 34.13 30.48 2yu0 s GLU 36 CO 0.59 -1.26 1.76 0.07 -0.49 0.00 0.00 175.26 175.94 2yu0 h ARG 37 N 1.03 0.84 0.00 1.61 -0.00 -1.96 -3.40 114.38 112.50 2yu0 h ARG 37 Ca -0.51 -0.22 0.00 0.00 -0.00 0.00 0.00 59.98 59.26 2yu0 h ARG 37 Cb 1.31 -0.10 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2yu0 h ARG 37 CO 0.55 0.82 -0.30 -3.47 -0.00 0.00 0.00 179.97 177.57 2yu0 n ASP 38 N -4.23 1.37 -2.08 0.08 2.03 -1.26 -4.85 116.55 107.62 2yu0 n ASP 38 Ca 0.03 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.24 2yu0 n ASP 38 Cb 0.28 0.09 -0.14 0.00 -0.72 0.00 0.00 41.12 40.64 2yu0 n ASP 38 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2yu0 n ASN 39 N -1.30 4.31 0.04 1.67 4.05 -1.26 -4.16 115.26 118.61 2yu0 n ASN 39 Ca 0.00 -2.30 -0.17 0.00 0.45 0.00 0.00 54.58 52.56 2yu0 n ASN 39 Cb 0.15 -1.16 -0.14 0.00 1.23 0.00 0.00 39.78 39.86 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 177.26 175.77 2yu0 h GLN 40 N 3.48 0.22 -1.04 1.20 4.20 -1.89 -3.35 115.11 117.94 2yu0 h GLN 40 Ca 0.15 -0.37 0.34 0.00 0.06 0.00 0.00 58.65 58.83 2yu0 h GLN 40 Cb 1.24 0.14 -0.15 0.00 0.30 0.00 0.00 27.48 29.01 2yu0 h GLN 40 CO 0.27 1.05 0.60 0.93 -0.67 0.00 0.00 178.83 181.01 2yu0 h GLU 41 N 0.06 0.27 -0.95 1.46 4.39 -1.96 0.51 114.58 118.36 2yu0 h GLU 41 Ca -0.29 -0.02 0.20 0.00 0.34 0.00 0.00 59.36 59.60 2yu0 h GLU 41 Cb 2.02 -0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 30.50 2yu0 h GLU 41 CO 0.13 0.18 0.52 -0.56 -1.16 0.00 0.00 179.01 178.13 2yu0 h GLN 42 N 0.28 0.60 -6.95 2.33 3.07 -1.92 -3.41 115.11 109.11 2yu0 h GLN 42 Ca 0.75 -0.04 -0.54 0.00 0.09 0.00 0.00 58.65 58.91 2yu0 h GLN 42 Cb 1.80 -0.13 0.10 0.00 0.08 0.00 0.00 27.48 29.33 2yu0 h GLN 42 CO -0.58 0.39 0.72 0.71 0.09 0.00 0.00 178.83 180.16 2yu0 s TYR 43 N -5.87 2.65 0.28 0.06 1.51 0.18 -5.02 117.35 111.14 2yu0 s TYR 43 Ca -0.11 1.25 0.04 0.00 -1.01 0.00 0.00 57.07 57.24 2yu0 s TYR 43 Cb 0.25 -3.91 0.04 0.00 -0.11 0.00 0.00 41.96 38.22 2yu0 s TYR 43 CO 0.79 -2.71 0.30 0.25 -1.11 0.00 0.00 175.55 173.07 2yu0 n THR 44 N 0.33 0.00 0.14 -0.71 -2.24 -1.26 -5.02 114.28 105.52 2yu0 n THR 44 Ca 0.02 -1.01 0.01 0.00 -2.27 0.00 0.00 64.05 60.79 2yu0 n THR 44 Cb 0.41 -0.52 0.17 0.00 -2.10 0.00 0.00 70.33 68.29 2yu0 n THR 44 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2yu0 h THR 45 N 0.31 1.23 0.00 4.28 1.35 -1.97 -3.23 112.91 114.88 2yu0 h THR 45 Ca -0.15 -2.11 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 2yu0 h THR 45 Cb 0.62 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2yu0 h THR 45 CO 0.23 0.57 0.00 -0.38 -0.25 0.00 0.00 175.52 175.69 2yu0 n ILE 46 N -3.59 0.00 -0.27 6.82 5.41 -1.26 -2.62 119.36 123.85 2yu0 n ILE 46 Ca -0.00 0.76 -0.04 0.00 1.00 0.00 0.00 62.75 64.47 2yu0 n ILE 46 Cb 0.64 -1.75 -0.02 0.00 -0.71 0.00 0.00 39.64 37.80 2yu0 n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yu0 n GLN 47 N -1.97 -0.23 -0.26 0.38 6.02 -1.26 0.21 117.38 120.27 2yu0 n GLN 47 Ca 0.00 1.04 0.01 0.00 -0.01 0.00 0.00 57.00 58.04 2yu0 n GLN 47 Cb 0.00 -1.53 0.14 0.00 1.02 0.00 0.00 30.24 29.87 2yu0 n GLN 47 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2yu0 h ILE 48 N 0.00 0.89 -0.53 5.09 1.08 -1.70 -1.80 117.51 120.53 2yu0 h ILE 48 Ca 0.17 -0.23 0.09 0.00 -0.39 0.00 0.00 64.86 64.50 2yu0 h ILE 48 Cb 0.34 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.17 2yu0 h ILE 48 CO -0.66 0.12 0.13 0.00 -0.69 0.00 0.00 178.15 177.06 2yu0 h ALA 49 N 1.42 0.62 0.47 1.87 0.00 0.26 -1.65 119.26 122.25 2yu0 h ALA 49 Ca 0.36 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 2yu0 h ALA 49 Cb 0.34 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2yu0 h ALA 49 CO -0.25 -0.28 -0.22 -0.91 0.00 0.00 0.00 179.25 177.58 2yu0 h ASN 50 N 0.27 -0.53 -1.05 0.00 2.35 -0.50 -0.62 115.58 115.50 2yu0 h ASN 50 Ca 0.27 0.02 0.42 0.00 -0.55 0.00 0.00 56.30 56.46 2yu0 h ASN 50 Cb 0.36 0.14 -0.17 0.00 0.05 0.00 0.00 38.32 38.69 2yu0 h ASN 50 CO -0.33 -0.34 0.59 0.23 -1.65 0.00 0.00 177.43 175.93 2yu0 n MET 51 N -3.90 -0.05 0.05 0.81 2.81 -0.81 0.23 117.12 116.26 2yu0 n MET 51 Ca -0.08 1.33 -0.11 0.00 -1.81 0.00 0.00 57.70 57.03 2yu0 n MET 51 Cb 0.25 -2.43 -0.00 0.00 -0.71 0.00 0.00 33.22 30.32 2yu0 n MET 51 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 2yu0 h MET 52 N 0.00 0.42 -0.74 0.03 2.86 -1.15 0.12 114.93 116.47 2yu0 h MET 52 Ca 0.84 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 58.14 2yu0 h MET 52 Cb 2.31 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 34.02 2yu0 h MET 52 CO -0.70 1.03 0.49 0.93 1.06 0.00 0.00 176.91 179.72 2yu0 h GLU 53 N 0.27 0.84 0.04 1.72 5.08 0.46 0.23 114.58 123.21 2yu0 h GLU 53 Ca -0.05 -0.05 -0.33 0.00 -1.00 0.00 0.00 59.36 57.93 2yu0 h GLU 53 Cb 1.41 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2yu0 h GLU 53 CO 0.14 0.56 -1.95 -0.85 -1.00 0.00 0.00 179.01 175.91 2yu0 n GLU 54 N -4.46 0.68 0.34 2.33 0.00 -0.77 -3.95 120.64 114.80 2yu0 n GLU 54 Ca 0.10 0.23 -0.14 0.00 0.00 0.00 0.00 57.16 57.36 2yu0 n GLU 54 Cb 0.15 -1.71 -0.07 0.00 0.00 0.00 0.00 31.44 29.81 2yu0 n GLU 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2yu0 h LYS 55 N 0.02 -0.86 -3.35 3.44 1.63 -0.45 -3.38 116.57 113.61 2yu0 h LYS 55 Ca -0.38 0.06 -0.68 0.00 -0.85 0.00 0.00 60.65 58.79 2yu0 h LYS 55 Cb 2.04 0.20 -0.37 0.00 -0.60 0.00 0.00 32.23 33.50 2yu0 h LYS 55 CO 0.06 -0.57 -0.31 -0.06 -3.45 0.00 0.00 179.45 175.12 2yu0 s PHE 56 N -4.46 3.63 -1.73 1.91 0.08 0.77 -4.90 117.98 113.27 2yu0 s PHE 56 Ca -0.13 -3.01 0.15 0.00 0.12 0.00 0.00 56.93 54.06 2yu0 s PHE 56 Cb 0.01 -3.10 0.84 0.00 -0.57 0.00 0.00 43.02 40.21 2yu0 s PHE 56 CO 0.39 -0.73 1.37 -0.35 -0.10 0.00 0.00 175.22 175.80 2yu0 n PRO 57 N 2.66 0.36 0.10 0.24 -0.04 -1.25 0.31 135.00 137.37 2yu0 n PRO 57 Ca 0.16 0.07 -0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2yu0 n PRO 57 Cb 0.36 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.28 2yu0 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 h ALA 58 N 2.84 -0.34 -0.00 0.55 0.00 -1.90 -3.40 119.26 117.01 2yu0 h ALA 58 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2yu0 h ALA 58 Cb 0.06 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2yu0 h ALA 58 CO 0.00 -0.35 -0.00 -0.25 0.00 0.00 0.00 179.25 178.65 2yu0 n ASP 59 N -5.00 0.86 -2.54 0.00 9.92 -1.21 -4.99 116.55 113.58 2yu0 n ASP 59 Ca -0.06 -0.93 -0.16 0.00 -0.53 0.00 0.00 54.79 53.11 2yu0 n ASP 59 Cb 0.20 0.18 -0.00 0.00 -0.64 0.00 0.00 41.12 40.86 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2yu0 n SER 60 N -0.16 -4.64 0.00 -2.24 7.64 0.15 -0.42 113.62 113.95 2yu0 n SER 60 Ca 0.00 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2yu0 n SER 60 Cb 0.01 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.32 2yu0 n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 61 N -0.95 3.02 0.25 0.23 0.00 -1.26 -4.44 105.19 102.04 2yu0 n GLY 61 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 2yu0 n GLY 61 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yu0 n LEU 62 N 0.00 -0.63 0.14 0.99 7.94 0.43 -0.43 117.00 125.44 2yu0 n LEU 62 Ca 0.00 1.41 -0.13 0.00 -1.11 0.00 0.00 56.01 56.18 2yu0 n LEU 62 Cb 0.00 -0.31 -0.08 0.00 0.53 0.00 0.00 43.42 43.56 2yu0 n LEU 62 CO 0.00 -1.03 0.51 1.23 -1.11 0.00 0.00 177.39 176.99 2yu0 h GLY 63 N 0.00 -1.17 -0.85 -3.96 0.00 -1.93 -0.37 103.07 94.79 2yu0 h GLY 63 Ca 0.09 0.59 0.39 0.00 0.00 0.00 0.00 47.33 48.40 2yu0 h GLY 63 CO -0.55 -0.33 0.65 1.70 0.00 0.00 0.00 176.54 178.01 2yu0 h LYS 64 N -0.65 0.14 0.21 4.80 1.63 -1.74 0.17 116.57 121.13 2yu0 h LYS 64 Ca -0.02 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 2yu0 h LYS 64 Cb 0.62 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2yu0 h LYS 64 CO -0.16 0.09 -0.10 1.25 -3.45 0.00 0.00 179.45 177.08 2yu0 h LEU 65 N 0.15 -0.24 -0.84 5.20 7.12 0.21 -3.11 115.31 123.79 2yu0 h LEU 65 Ca 0.80 -0.27 0.13 0.00 0.13 0.00 0.00 57.88 58.67 2yu0 h LEU 65 Cb 2.14 0.06 -0.14 0.00 -0.53 0.00 0.00 40.66 42.19 2yu0 h LEU 65 CO -0.60 0.19 -0.39 0.40 -0.13 0.00 0.00 178.44 177.91 2yu0 h ILE 66 N -0.74 0.06 -0.15 4.05 2.04 0.98 -0.23 117.51 123.52 2yu0 h ILE 66 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 2yu0 h ILE 66 Cb 0.50 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 2yu0 h ILE 66 CO 0.05 0.00 -0.38 -0.33 0.00 0.00 0.00 178.15 177.48 2yu0 h GLU 67 N -0.07 -0.43 -0.99 2.37 5.08 -1.49 -1.11 114.58 117.94 2yu0 h GLU 67 Ca 0.29 0.03 0.30 0.00 -1.00 0.00 0.00 59.36 58.97 2yu0 h GLU 67 Cb 0.57 0.10 -0.18 0.00 0.50 0.00 0.00 28.75 29.74 2yu0 h GLU 67 CO -0.87 -0.29 0.13 0.35 -1.00 0.00 0.00 179.01 177.33 2yu0 h PHE 68 N -0.44 0.13 0.32 4.33 3.57 -0.97 0.27 116.94 124.14 2yu0 h PHE 68 Ca 0.09 0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 2yu0 h PHE 68 Cb 0.60 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2yu0 h PHE 68 CO -0.47 -0.44 -0.15 0.00 -2.23 0.00 0.00 178.31 175.02 2yu0 n GLU 70 N -5.23 -0.33 -0.27 0.00 1.02 0.93 0.85 120.64 117.61 2yu0 n GLU 70 Ca -0.10 1.29 0.06 0.00 -0.02 0.00 0.00 57.16 58.39 2yu0 n GLU 70 Cb 0.22 -1.90 0.17 0.00 -0.02 0.00 0.00 31.44 29.90 2yu0 n GLU 70 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2yu0 h GLU 71 N 0.00 0.09 -5.81 3.49 4.39 -1.48 -3.37 114.58 111.89 2yu0 h GLU 71 Ca 0.18 -0.01 -0.59 0.00 0.34 0.00 0.00 59.36 59.28 2yu0 h GLU 71 Cb 0.39 -0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 2yu0 h GLU 71 CO -0.81 0.06 0.48 0.08 -1.16 0.00 0.00 179.01 177.66 2yu0 s VAL 72 N -6.11 4.83 -1.96 3.13 1.01 0.25 -4.91 120.40 116.63 2yu0 s VAL 72 Ca -0.13 1.59 0.15 0.00 0.00 0.00 0.00 61.98 63.60 2yu0 s VAL 72 Cb 0.23 -4.13 0.43 0.00 0.00 0.00 0.00 36.38 32.91 2yu0 s VAL 72 CO 0.76 -0.07 1.34 -0.81 0.00 0.00 0.00 175.10 176.32 2yu0 n PRO 73 N 5.95 0.47 0.00 2.72 -0.04 -1.26 -1.81 135.00 141.03 2yu0 n PRO 73 Ca 0.06 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.60 2yu0 n PRO 73 Cb 0.48 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2yu0 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 n ALA 74 N -1.02 3.65 0.04 0.55 0.00 -1.26 -4.44 120.51 118.03 2yu0 n ALA 74 Ca 0.11 -0.48 0.02 0.00 0.00 0.00 0.00 53.44 53.10 2yu0 n ALA 74 Cb 0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2yu0 n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2yu0 n LEU 75 N -0.84 0.04 -0.32 0.00 4.77 -0.75 -4.68 117.00 115.23 2yu0 n LEU 75 Ca 0.04 -0.11 0.19 0.00 -0.03 0.00 0.00 56.01 56.10 2yu0 n LEU 75 Cb 0.28 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.74 2yu0 n LEU 75 CO 0.26 0.01 0.94 0.03 -1.33 0.00 0.00 177.39 177.31 2yu0 h ARG 76 N 0.00 0.11 -1.00 3.23 3.08 -1.42 0.90 114.38 119.28 2yu0 h ARG 76 Ca 0.00 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.16 2yu0 h ARG 76 Cb 0.17 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.11 2yu0 h ARG 76 CO 0.00 0.07 0.63 -0.22 -1.07 0.00 0.00 179.97 179.39 2yu0 h LYS 77 N 0.12 0.97 -0.22 0.04 3.64 -1.87 -1.56 116.57 117.69 2yu0 h LYS 77 Ca 0.65 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.78 2yu0 h LYS 77 Cb 1.45 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2yu0 h LYS 77 CO -0.76 0.64 -0.60 -0.09 -2.27 0.00 0.00 179.45 176.38 2yu0 h ARG 78 N 1.00 0.80 0.07 1.90 9.65 0.46 -3.11 114.38 125.16 2yu0 h ARG 78 Ca 0.50 -0.56 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2yu0 h ARG 78 Cb 0.48 0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 2yu0 h ARG 78 CO -0.26 1.19 -0.20 0.00 2.80 0.00 0.00 179.97 183.49 2yu0 h ALA 79 N 0.61 -0.76 -0.64 2.80 0.00 -0.28 -1.62 119.26 119.37 2yu0 h ALA 79 Ca -0.01 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.97 2yu0 h ALA 79 Cb 1.22 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 19.47 2yu0 h ALA 79 CO 0.13 -0.80 -0.26 1.05 0.00 0.00 0.00 179.25 179.37 2yu0 h GLU 80 N -0.31 -0.08 -1.03 0.00 4.11 -1.56 0.41 114.58 116.13 2yu0 h GLU 80 Ca -0.01 0.01 0.26 0.00 0.07 0.00 0.00 59.36 59.69 2yu0 h GLU 80 Cb 0.30 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 2yu0 h GLU 80 CO -0.09 -0.05 0.66 0.82 0.07 0.00 0.00 179.01 180.41 2yu0 h ILE 81 N -0.08 0.54 0.00 -1.06 2.04 -1.41 0.86 117.51 118.40 2yu0 h ILE 81 Ca 0.28 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 2yu0 h ILE 81 Cb 0.53 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2yu0 h ILE 81 CO -0.70 0.08 -0.35 -0.07 0.00 0.00 0.00 178.15 177.11 2yu0 h LEU 82 N 0.42 0.00 0.22 1.44 3.38 0.78 -3.23 115.31 118.31 2yu0 h LEU 82 Ca 0.59 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 58.26 2yu0 h LEU 82 Cb 1.45 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.23 2yu0 h LEU 82 CO -0.30 0.35 -1.33 0.11 0.09 0.00 0.00 178.44 177.36 2yu0 h LYS 83 N 0.00 0.46 -1.09 1.13 1.57 0.15 -2.91 116.57 115.88 2yu0 h LYS 83 Ca -0.00 -0.78 0.31 0.00 -1.87 0.00 0.00 60.65 58.31 2yu0 h LYS 83 Cb 1.02 0.29 -0.12 0.00 0.08 0.00 0.00 32.23 33.50 2yu0 h LYS 83 CO 0.05 1.38 0.67 -0.22 -0.57 0.00 0.00 179.45 180.75 2yu0 h LYS 84 N -0.01 0.33 0.10 3.15 3.64 -0.81 0.03 116.57 122.99 2yu0 h LYS 84 Ca -0.24 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 58.93 2yu0 h LYS 84 Cb 2.01 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.77 2yu0 h LYS 84 CO 0.23 0.22 -0.96 0.93 -2.27 0.00 0.00 179.45 177.60 2yu0 h GLU 85 N 0.34 0.22 -0.84 1.90 5.08 -1.66 -3.34 114.58 116.27 2yu0 h GLU 85 Ca 0.69 -0.37 0.19 0.00 -1.00 0.00 0.00 59.36 58.87 2yu0 h GLU 85 Cb 1.74 0.14 -0.12 0.00 0.50 0.00 0.00 28.75 31.01 2yu0 h GLU 85 CO -0.43 1.18 0.32 -0.09 -1.00 0.00 0.00 179.01 178.99 2yu0 h ARG 86 N -0.48 0.36 -5.80 2.33 2.43 -0.86 -3.35 114.38 109.01 2yu0 h ARG 86 Ca -0.20 -0.02 -0.62 0.00 -0.81 0.00 0.00 59.98 58.33 2yu0 h ARG 86 Cb 1.57 -0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.92 2yu0 h ARG 86 CO 0.07 0.24 0.37 0.45 -1.51 0.00 0.00 179.97 179.59 2yu0 s SER 87 N -5.22 6.45 -0.45 -3.80 0.15 -0.22 -4.99 113.70 105.61 2yu0 s SER 87 Ca -0.12 0.02 0.03 0.00 0.70 0.00 0.00 55.95 56.57 2yu0 s SER 87 Cb 0.24 -2.39 0.13 0.00 -1.71 0.00 0.00 66.02 62.29 2yu0 s SER 87 CO 0.77 -0.87 0.23 -1.61 1.20 0.00 0.00 173.24 172.96 2yu0 s GLU 88 N 3.26 1.45 -1.28 5.44 2.02 -1.26 -4.87 118.70 123.46 2yu0 s GLU 88 Ca 0.30 -2.12 -0.11 0.00 0.02 0.00 0.00 54.97 53.07 2yu0 s GLU 88 Cb -0.12 -2.60 0.11 0.00 0.10 0.00 0.00 34.13 31.61 2yu0 s GLU 88 CO 0.21 -1.13 0.27 0.43 0.02 0.00 0.00 175.26 175.06 2yu0 n SER 89 N 3.52 -0.54 -3.21 -0.19 7.64 -1.26 -4.86 113.62 114.72 2yu0 n SER 89 Ca 0.07 -0.92 -0.21 0.00 1.01 0.00 0.00 58.87 58.82 2yu0 n SER 89 Cb 0.34 -1.16 0.18 0.00 -1.01 0.00 0.00 64.21 62.56 2yu0 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 90 N -1.39 -3.05 0.00 0.23 0.00 -1.26 -4.86 105.19 94.86 2yu0 n GLY 90 Ca -0.04 -1.42 0.08 0.00 0.00 0.00 0.00 46.02 44.64 2yu0 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yu0 n PRO 91 N -4.07 0.41 -1.53 1.61 -0.04 -1.26 -4.86 135.00 125.26 2yu0 n PRO 91 Ca 0.10 0.04 -0.59 0.00 -0.04 0.00 0.00 63.50 63.01 2yu0 n PRO 91 Cb 0.41 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.28 2yu0 n PRO 91 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yu0 n SER 92 N -1.08 0.94 -4.64 3.54 7.64 -1.26 -4.92 113.62 113.85 2yu0 n SER 92 Ca 0.10 1.06 -0.34 0.00 1.01 0.00 0.00 58.87 60.70 2yu0 n SER 92 Cb 0.07 -0.79 -0.10 0.00 -1.01 0.00 0.00 64.21 62.38 2yu0 n SER 92 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yu0 s SER 93 N 2.34 4.96 0.00 6.43 0.01 -1.26 -5.16 113.70 121.01 2yu0 s SER 93 Ca 0.92 0.05 0.00 0.00 1.31 0.00 0.00 55.95 58.22 2yu0 s SER 93 Cb -1.31 -1.31 0.00 0.00 0.21 0.00 0.00 66.02 63.61 2yu0 s SER 93 CO 0.70 0.36 0.00 0.61 0.41 0.00 0.00 173.24 175.32