#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu0 h SER 2 N 0.00 -1.17 -2.82 1.61 0.87 -2.13 -3.38 113.55 106.52 2yu0 h SER 2 Ca 0.00 0.23 -0.54 0.00 -1.23 0.00 0.00 61.79 60.25 2yu0 h SER 2 Cb 0.00 0.59 0.01 0.00 -0.44 0.00 0.00 62.40 62.55 2yu0 h SER 2 CO 0.00 -0.30 0.90 -0.44 -0.53 0.00 0.00 176.83 176.46 2yu0 s SER 3 N -5.18 6.76 -0.15 6.23 0.01 -1.26 -5.00 113.70 115.11 2yu0 s SER 3 Ca -0.14 2.25 -0.12 0.00 1.31 0.00 0.00 55.95 59.24 2yu0 s SER 3 Cb 0.16 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.88 2yu0 s SER 3 CO 0.69 -0.79 0.40 -0.83 0.41 0.00 0.00 173.24 173.12 2yu0 s GLY 4 N 2.12 -0.30 -0.74 3.44 0.00 -1.26 -5.10 107.32 105.47 2yu0 s GLY 4 Ca 0.68 1.25 -0.05 0.00 0.00 0.00 0.00 44.72 46.59 2yu0 s GLY 4 CO 0.28 1.21 0.60 -0.56 0.00 0.00 0.00 173.10 174.64 2yu0 s SER 5 N 0.63 5.78 -0.91 1.64 0.01 -1.26 -4.95 113.70 114.64 2yu0 s SER 5 Ca -0.03 -3.03 0.00 0.00 1.31 0.00 0.00 55.95 54.20 2yu0 s SER 5 Cb -0.05 -1.95 0.32 0.00 0.21 0.00 0.00 66.02 64.55 2yu0 s SER 5 CO -0.04 -0.37 1.52 -1.54 0.41 0.00 0.00 173.24 173.22 2yu0 n SER 6 N 3.32 6.38 -3.33 2.44 3.41 -1.26 -4.85 113.62 119.72 2yu0 n SER 6 Ca 0.13 -3.64 -0.38 0.00 -0.26 0.00 0.00 58.87 54.72 2yu0 n SER 6 Cb 0.40 -1.02 0.01 0.00 -0.26 0.00 0.00 64.21 63.34 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 0.15 5.94 3.63 5.00 0.00 -1.26 -5.00 105.19 113.65 2yu0 n GLY 7 Ca 0.39 -2.60 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 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 -4.57 3.57 -0.13 -0.61 1.09 -1.26 -5.06 121.20 114.23 2yu0 s ILE 8 Ca 0.44 -1.45 -0.28 0.00 -1.10 0.00 0.00 60.65 58.26 2yu0 s ILE 8 Cb 0.26 -2.77 0.07 0.00 -1.06 0.00 0.00 42.46 38.96 2yu0 s ILE 8 CO -0.19 -0.08 0.67 0.54 -0.10 0.00 0.00 174.94 175.78 2yu0 s VAL 9 N -1.65 0.00 0.62 2.92 0.11 -1.26 -5.00 120.40 116.14 2yu0 s VAL 9 Ca 0.26 -0.02 0.22 0.00 -2.93 0.00 0.00 61.98 59.51 2yu0 s VAL 9 Cb -0.09 -0.97 0.30 0.00 -1.53 0.00 0.00 36.38 34.09 2yu0 s VAL 9 CO 0.17 -0.01 1.37 0.25 -3.33 0.00 0.00 175.10 173.55 2yu0 h LEU 10 N 3.82 0.00 -0.23 2.54 6.46 -2.00 1.20 115.31 127.09 2yu0 h LEU 10 Ca -0.28 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.32 2yu0 h LEU 10 Cb 1.15 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2yu0 h LEU 10 CO 0.27 0.00 -0.49 0.25 -0.62 0.00 0.00 178.44 177.85 2yu0 h LEU 11 N 0.00 0.83 -0.97 2.25 7.12 -2.00 -3.03 115.31 119.52 2yu0 h LEU 11 Ca 0.32 -0.55 0.07 0.00 0.13 0.00 0.00 57.88 57.85 2yu0 h LEU 11 Cb 2.32 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 42.20 2yu0 h LEU 11 CO -0.00 1.23 0.80 0.03 -0.13 0.00 0.00 178.44 180.36 2yu0 h ARG 12 N 0.47 0.00 -0.73 1.25 2.47 0.11 -1.30 114.38 116.65 2yu0 h ARG 12 Ca 0.00 0.00 0.21 0.00 -1.26 0.00 0.00 59.98 58.94 2yu0 h ARG 12 Cb 1.10 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.39 2yu0 h ARG 12 CO 0.11 0.00 1.05 0.78 0.56 0.00 0.00 179.97 182.47 2yu0 h GLY 13 N 0.00 0.00 0.00 0.04 0.00 -1.63 0.64 103.07 102.12 2yu0 h GLY 13 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.18 2yu0 h GLY 13 CO -0.00 0.00 -1.49 1.04 0.00 0.00 0.00 176.54 176.09 2yu0 n LEU 14 N -3.15 1.88 0.12 3.11 4.77 -0.49 -4.16 117.00 119.07 2yu0 n LEU 14 Ca 0.16 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.66 2yu0 n LEU 14 Cb 1.28 -0.92 0.46 0.00 -2.33 0.00 0.00 43.42 41.91 2yu0 n LEU 14 CO 0.19 0.27 0.80 -0.62 -1.33 0.00 0.00 177.39 176.71 2yu0 n GLU 15 N -4.41 0.14 -0.15 3.23 1.02 0.48 -2.39 120.64 118.57 2yu0 n GLU 15 Ca -0.35 0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 57.17 2yu0 n GLU 15 Cb 0.69 -1.83 -0.01 0.00 -0.02 0.00 0.00 31.44 30.27 2yu0 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yu0 s ILE 17 N -4.90 5.00 0.82 0.00 -4.36 -1.01 -5.03 121.20 111.72 2yu0 s ILE 17 Ca -0.12 1.43 -0.15 0.00 -0.26 0.00 0.00 60.65 61.55 2yu0 s ILE 17 Cb 0.11 -4.03 -0.01 0.00 1.25 0.00 0.00 42.46 39.77 2yu0 s ILE 17 CO 0.82 0.29 0.44 -3.20 0.24 0.00 0.00 174.94 173.52 2yu0 n ASN 18 N 3.55 -1.69 0.20 4.36 4.05 -1.26 -4.44 115.26 120.02 2yu0 n ASN 18 Ca -0.02 0.48 0.17 0.00 0.45 0.00 0.00 54.58 55.65 2yu0 n ASN 18 Cb 0.51 -1.20 0.69 0.00 1.23 0.00 0.00 39.78 41.02 2yu0 n ASN 18 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 2yu0 h LYS 19 N -0.85 0.00 0.73 1.20 1.79 -1.94 -1.26 116.57 116.25 2yu0 h LYS 19 Ca -0.45 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.99 2yu0 h LYS 19 Cb 1.32 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.98 2yu0 h LYS 19 CO 0.39 0.00 -0.36 1.25 -1.08 0.00 0.00 179.45 179.65 2yu0 h HIS 20 N 0.00 -0.94 -0.14 -1.35 -0.00 -2.02 -2.57 115.15 108.14 2yu0 h HIS 20 Ca 0.11 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.37 2yu0 h HIS 20 Cb 1.11 0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.83 2yu0 h HIS 20 CO 0.00 -0.58 -0.26 1.88 -0.00 0.00 0.00 177.93 178.97 2yu0 h TYR 21 N -1.00 0.53 -0.95 5.26 0.05 -1.57 -3.22 116.97 116.09 2yu0 h TYR 21 Ca -0.10 -0.19 0.28 0.00 0.05 0.00 0.00 58.73 58.77 2yu0 h TYR 21 Cb 0.77 -0.10 -0.17 0.00 1.01 0.00 0.00 36.73 38.24 2yu0 h TYR 21 CO -0.03 0.88 0.20 0.35 -1.05 0.00 0.00 178.16 178.52 2yu0 h PHE 22 N 0.03 0.27 -0.02 4.88 3.57 -1.38 0.11 116.94 124.40 2yu0 h PHE 22 Ca 0.01 0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.60 2yu0 h PHE 22 Cb 0.85 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.57 2yu0 h PHE 22 CO 0.10 -0.35 -0.35 1.03 -2.23 0.00 0.00 178.31 176.51 2yu0 h SER 23 N 0.09 -1.05 -0.59 0.41 0.87 -1.46 -1.77 113.55 110.04 2yu0 h SER 23 Ca 0.62 0.14 0.12 0.00 -1.23 0.00 0.00 61.79 61.44 2yu0 h SER 23 Cb 1.36 0.42 -0.11 0.00 -0.44 0.00 0.00 62.40 63.64 2yu0 h SER 23 CO -0.79 -0.40 -0.14 -0.07 -0.53 0.00 0.00 176.83 174.90 2yu0 h LEU 24 N -0.49 -0.54 -0.47 2.23 4.07 -0.90 -0.34 115.31 118.87 2yu0 h LEU 24 Ca 0.06 0.18 0.08 0.00 0.08 0.00 0.00 57.88 58.28 2yu0 h LEU 24 Cb 0.59 0.36 -0.07 0.00 1.08 0.00 0.00 40.66 42.62 2yu0 h LEU 24 CO -0.30 -0.19 0.06 0.15 -1.08 0.00 0.00 178.44 177.08 2yu0 h PHE 25 N 0.00 0.09 -0.35 1.13 3.57 -1.09 0.88 116.94 121.17 2yu0 h PHE 25 Ca 0.28 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.92 2yu0 h PHE 25 Cb 0.44 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2yu0 h PHE 25 CO -0.48 -0.04 0.27 0.87 -2.23 0.00 0.00 178.31 176.70 2yu0 h LYS 26 N 0.19 0.00 -0.10 1.11 1.57 -0.24 -0.83 116.57 118.27 2yu0 h LYS 26 Ca 0.23 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.87 2yu0 h LYS 26 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.64 2yu0 h LYS 26 CO -0.33 0.00 -0.49 1.03 -0.57 0.00 0.00 179.45 179.09 2yu0 h SER 27 N 0.00 0.60 0.45 0.86 0.87 -0.26 0.33 113.55 116.40 2yu0 h SER 27 Ca 0.17 -0.65 -0.07 0.00 -1.23 0.00 0.00 61.79 60.01 2yu0 h SER 27 Cb 0.71 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 2yu0 h SER 27 CO -0.00 1.15 -0.31 -0.07 -0.53 0.00 0.00 176.83 177.06 2yu0 h LEU 28 N 0.09 0.00 0.00 2.23 3.38 -0.61 -2.67 115.31 117.74 2yu0 h LEU 28 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2yu0 h LEU 28 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2yu0 h LEU 28 CO 0.10 0.31 -1.23 0.18 0.09 0.00 0.00 178.44 177.89 2yu0 n LEU 29 N -3.91 0.56 -0.38 1.67 7.99 -0.44 -4.27 117.00 118.21 2yu0 n LEU 29 Ca -0.02 0.09 0.32 0.00 -0.01 0.00 0.00 56.01 56.40 2yu0 n LEU 29 Cb 0.38 -0.06 0.59 0.00 -0.11 0.00 0.00 43.42 44.22 2yu0 n LEU 29 CO 0.37 -0.04 1.16 0.00 -1.51 0.00 0.00 177.39 177.36 2yu0 h ALA 30 N 2.25 2.38 -0.03 -1.18 0.00 0.05 0.75 119.26 123.49 2yu0 h ALA 30 Ca 0.00 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2yu0 h ALA 30 Cb 0.87 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2yu0 h ALA 30 CO 0.00 -1.05 -0.08 0.07 0.00 0.00 0.00 179.25 178.18 2yu0 h ARG 31 N 0.12 0.10 0.46 0.00 -0.00 -1.74 0.42 114.38 113.74 2yu0 h ARG 31 Ca 0.81 -0.08 -0.02 0.00 -0.00 0.00 0.00 59.98 60.69 2yu0 h ARG 31 Cb 2.26 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 32.25 2yu0 h ARG 31 CO -0.56 0.70 -0.22 -0.44 -0.00 0.00 0.00 179.97 179.45 2yu0 h ASP 32 N -0.48 -0.52 0.29 0.08 3.32 -0.58 -3.06 116.42 115.46 2yu0 h ASP 32 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2yu0 h ASP 32 Cb 0.71 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.40 2yu0 h ASP 32 CO 0.02 -0.24 0.00 0.18 -1.72 0.00 0.00 179.24 177.47 2yu0 n LEU 33 N -4.39 0.22 -3.23 1.55 4.77 0.22 -4.84 117.00 111.30 2yu0 n LEU 33 Ca -0.08 0.58 -0.23 0.00 -0.03 0.00 0.00 56.01 56.25 2yu0 n LEU 33 Cb 0.24 -0.57 0.06 0.00 -2.33 0.00 0.00 43.42 40.82 2yu0 n LEU 33 CO 0.18 -0.51 0.12 0.59 -1.33 0.00 0.00 177.39 176.44 2yu0 n ASN 34 N -1.77 -6.19 -4.62 -1.43 3.02 -0.05 -4.97 115.26 99.26 2yu0 n ASN 34 Ca 0.01 -0.40 -0.29 0.00 -0.03 0.00 0.00 54.58 53.87 2yu0 n ASN 34 Cb 0.10 -4.91 0.19 0.00 -0.61 0.00 0.00 39.78 34.55 2yu0 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2yu0 s LEU 35 N -6.85 1.78 -0.66 3.41 1.43 -0.13 -4.95 118.68 112.71 2yu0 s LEU 35 Ca 0.44 1.60 -0.20 0.00 -1.03 0.00 0.00 54.13 54.93 2yu0 s LEU 35 Cb -0.19 -3.80 0.10 0.00 0.03 0.00 0.00 46.19 42.32 2yu0 s LEU 35 CO 0.54 -3.35 0.84 -1.61 0.23 0.00 0.00 176.35 173.00 2yu0 s GLU 36 N -4.71 3.14 0.54 1.70 2.02 -1.26 -4.88 118.70 115.25 2yu0 s GLU 36 Ca 0.66 -1.23 0.33 0.00 0.02 0.00 0.00 54.97 54.75 2yu0 s GLU 36 Cb -0.21 -4.32 1.12 0.00 0.10 0.00 0.00 34.13 30.81 2yu0 s GLU 36 CO 0.60 -1.66 1.28 0.54 0.02 0.00 0.00 175.26 176.04 2yu0 n ARG 37 N 6.78 0.01 -0.02 1.61 5.12 -1.26 0.20 116.66 129.10 2yu0 n ARG 37 Ca -0.03 0.96 -0.21 0.00 -1.93 0.00 0.00 57.85 56.64 2yu0 n ARG 37 Cb 0.44 -2.33 -0.13 0.00 -1.16 0.00 0.00 32.46 29.28 2yu0 n ARG 37 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2yu0 n ASP 38 N -3.33 2.09 -2.64 0.55 8.00 -1.26 -4.34 116.55 115.62 2yu0 n ASP 38 Ca 0.29 0.17 -0.36 0.00 0.71 0.00 0.00 54.79 55.60 2yu0 n ASP 38 Cb 1.58 -0.80 0.05 0.00 -0.02 0.00 0.00 41.12 41.93 2yu0 n ASP 38 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2yu0 n ASN 39 N -3.51 7.19 0.12 -2.24 5.15 0.53 -4.53 115.26 117.96 2yu0 n ASN 39 Ca -0.34 -3.81 0.09 0.00 -0.60 0.00 0.00 54.58 49.92 2yu0 n ASN 39 Cb 1.02 -0.94 0.02 0.00 -0.53 0.00 0.00 39.78 39.35 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2yu0 h GLN 40 N 2.60 0.00 0.00 1.20 4.20 -1.07 -3.36 115.11 118.68 2yu0 h GLN 40 Ca 0.55 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.21 2yu0 h GLN 40 Cb 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2yu0 h GLN 40 CO 1.40 0.09 -0.19 1.05 -0.67 0.00 0.00 178.83 180.51 2yu0 h GLU 41 N 0.00 0.13 -1.38 1.46 4.11 -1.86 -3.22 114.58 113.81 2yu0 h GLU 41 Ca -0.03 -0.14 0.40 0.00 0.07 0.00 0.00 59.36 59.66 2yu0 h GLU 41 Cb 1.13 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2yu0 h GLU 41 CO 0.01 0.90 1.03 -0.56 0.07 0.00 0.00 179.01 180.47 2yu0 h GLN 42 N -0.58 0.00 -7.30 1.06 3.07 -1.91 -3.40 115.11 106.04 2yu0 h GLN 42 Ca -0.02 0.00 -0.51 0.00 0.09 0.00 0.00 58.65 58.20 2yu0 h GLN 42 Cb 0.97 0.00 0.10 0.00 0.08 0.00 0.00 27.48 28.63 2yu0 h GLN 42 CO 0.04 0.00 0.35 0.71 0.09 0.00 0.00 178.83 180.02 2yu0 s TYR 43 N -4.87 2.89 0.06 0.06 2.02 -1.22 -5.08 117.35 111.21 2yu0 s TYR 43 Ca -0.05 1.49 0.00 0.00 -0.37 0.00 0.00 57.07 58.14 2yu0 s TYR 43 Cb 0.23 -2.97 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 2yu0 s TYR 43 CO 0.80 -1.43 -0.05 0.95 -1.57 0.00 0.00 175.55 174.25 2yu0 s THR 44 N -2.87 0.39 0.60 -0.71 -4.23 -1.26 -5.00 115.64 102.55 2yu0 s THR 44 Ca 0.60 -1.59 0.30 0.00 -1.18 0.00 0.00 61.69 59.82 2yu0 s THR 44 Cb -0.16 -1.23 0.44 0.00 1.34 0.00 0.00 72.50 72.89 2yu0 s THR 44 CO 0.52 -0.79 1.41 0.71 -0.54 0.00 0.00 174.62 175.93 2yu0 h THR 45 N 3.54 0.04 0.02 3.99 1.35 -1.97 -0.07 112.91 119.81 2yu0 h THR 45 Ca -0.34 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.52 2yu0 h THR 45 Cb 1.17 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2yu0 h THR 45 CO 0.58 0.00 -0.01 0.40 -0.25 0.00 0.00 175.52 176.24 2yu0 h ILE 46 N 0.00 0.00 -1.01 6.82 1.08 -1.98 -1.86 117.51 120.55 2yu0 h ILE 46 Ca 0.52 -0.07 0.27 0.00 -0.39 0.00 0.00 64.86 65.19 2yu0 h ILE 46 Cb 2.84 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 36.46 2yu0 h ILE 46 CO -0.01 0.00 0.60 1.56 -0.69 0.00 0.00 178.15 179.61 2yu0 h GLN 47 N -0.09 0.48 -0.23 2.37 4.20 -1.60 0.41 115.11 120.64 2yu0 h GLN 47 Ca -0.00 -0.03 -0.15 0.00 0.06 0.00 0.00 58.65 58.53 2yu0 h GLN 47 Cb 0.02 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2yu0 h GLN 47 CO 0.00 0.32 -0.47 0.82 -0.67 0.00 0.00 178.83 178.83 2yu0 h ILE 48 N 0.49 1.31 0.37 2.54 1.08 -1.20 -3.06 117.51 119.05 2yu0 h ILE 48 Ca 0.67 -1.67 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 2yu0 h ILE 48 Cb 1.39 1.64 -0.00 0.00 -3.07 0.00 0.00 36.82 36.77 2yu0 h ILE 48 CO -0.50 0.53 -0.24 0.00 -0.69 0.00 0.00 178.15 177.25 2yu0 h ALA 49 N 1.00 -1.07 -0.38 1.87 0.00 0.69 -2.20 119.26 119.17 2yu0 h ALA 49 Ca 0.03 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2yu0 h ALA 49 Cb 1.00 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 2yu0 h ALA 49 CO 0.09 -1.05 -0.50 -0.91 0.00 0.00 0.00 179.25 176.88 2yu0 h ASN 50 N -0.58 -1.69 -1.29 0.00 2.35 -1.53 0.38 115.58 113.22 2yu0 h ASN 50 Ca -0.05 0.22 0.41 0.00 -0.55 0.00 0.00 56.30 56.33 2yu0 h ASN 50 Cb 0.47 0.69 -0.12 0.00 0.05 0.00 0.00 38.32 39.41 2yu0 h ASN 50 CO 0.04 -0.36 0.84 0.24 -1.65 0.00 0.00 177.43 176.55 2yu0 h MET 51 N -0.35 0.13 0.06 0.81 2.86 -1.55 0.33 114.93 117.22 2yu0 h MET 51 Ca 0.07 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.58 2yu0 h MET 51 Cb 0.53 -0.03 0.01 0.00 0.06 0.00 0.00 31.60 32.17 2yu0 h MET 51 CO -0.55 0.08 -0.50 0.52 1.06 0.00 0.00 176.91 177.53 2yu0 h MET 52 N 0.13 0.23 -0.96 1.72 2.86 0.22 -1.87 114.93 117.27 2yu0 h MET 52 Ca 0.77 -0.33 0.31 0.00 -2.06 0.00 0.00 59.70 58.39 2yu0 h MET 52 Cb 2.43 0.11 -0.16 0.00 0.06 0.00 0.00 31.60 34.04 2yu0 h MET 52 CO -0.36 1.10 0.33 0.93 1.06 0.00 0.00 176.91 179.97 2yu0 h GLU 53 N -0.47 0.13 0.00 1.72 5.08 0.32 -0.50 114.58 120.86 2yu0 h GLU 53 Ca -0.08 -0.01 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2yu0 h GLU 53 Cb 1.32 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2yu0 h GLU 53 CO 0.10 0.09 -0.46 0.93 -1.00 0.00 0.00 179.01 178.66 2yu0 h GLU 54 N 0.13 0.00 -0.85 2.33 5.08 -1.55 -3.36 114.58 116.36 2yu0 h GLU 54 Ca 0.68 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 59.19 2yu0 h GLU 54 Cb 1.55 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.65 2yu0 h GLU 54 CO -0.74 0.58 -0.27 1.17 -1.00 0.00 0.00 179.01 178.75 2yu0 n LYS 55 N -4.60 -0.14 -3.76 2.33 3.00 -0.70 -2.66 118.16 111.62 2yu0 n LYS 55 Ca -0.13 1.32 -0.34 0.00 -0.00 0.00 0.00 58.31 59.15 2yu0 n LYS 55 Cb 0.39 -1.96 -0.10 0.00 0.00 0.00 0.00 35.03 33.36 2yu0 n LYS 55 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2yu0 s PHE 56 N -5.94 3.45 -2.00 5.64 0.40 -0.27 -4.91 117.98 114.36 2yu0 s PHE 56 Ca -0.12 -2.91 0.12 0.00 -0.60 0.00 0.00 56.93 53.42 2yu0 s PHE 56 Cb 0.20 -3.09 0.74 0.00 0.51 0.00 0.00 43.02 41.37 2yu0 s PHE 56 CO 0.63 -0.78 1.17 -0.35 0.70 0.00 0.00 175.22 176.59 2yu0 n PRO 57 N 3.08 0.49 -0.07 0.24 -0.04 -1.09 0.48 135.00 138.09 2yu0 n PRO 57 Ca 0.11 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 2yu0 n PRO 57 Cb 0.36 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.39 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 2.77 0.06 0.00 0.55 0.00 -1.90 -3.42 119.26 117.33 2yu0 h ALA 58 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yu0 h ALA 58 Cb 0.00 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2yu0 h ALA 58 CO 0.00 0.44 -0.05 -0.25 0.00 0.00 0.00 179.25 179.39 2yu0 n ASP 59 N -4.60 1.97 -2.10 0.00 8.00 -1.20 -4.97 116.55 113.65 2yu0 n ASP 59 Ca -0.12 -2.67 -0.06 0.00 0.71 0.00 0.00 54.79 52.65 2yu0 n ASP 59 Cb 0.33 -0.29 -0.01 0.00 -0.02 0.00 0.00 41.12 41.13 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2yu0 n SER 60 N -1.04 -2.29 0.00 -2.24 3.41 0.18 0.12 113.62 111.76 2yu0 n SER 60 Ca 0.10 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2yu0 n SER 60 Cb 0.55 -2.11 0.00 0.00 -0.26 0.00 0.00 64.21 62.39 2yu0 n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu0 n GLY 61 N -0.51 2.92 0.37 5.00 0.00 -1.24 -3.65 105.19 108.08 2yu0 n GLY 61 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 2yu0 n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2yu0 h LEU 62 N 0.00 -1.27 -0.44 0.99 5.85 0.61 0.24 115.31 121.29 2yu0 h LEU 62 Ca 0.00 0.30 0.08 0.00 0.84 0.00 0.00 57.88 59.10 2yu0 h LEU 62 Cb 0.00 0.70 -0.08 0.00 0.37 0.00 0.00 40.66 41.65 2yu0 h LEU 62 CO 0.00 -0.30 -0.03 1.23 -0.34 0.00 0.00 178.44 179.00 2yu0 h GLY 63 N -0.02 0.41 0.69 3.75 0.00 -1.91 0.18 103.07 106.17 2yu0 h GLY 63 Ca 0.36 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.84 2yu0 h GLY 63 CO -0.95 -0.13 0.60 1.70 0.00 0.00 0.00 176.54 177.76 2yu0 h LYS 64 N 0.07 1.04 0.04 4.80 1.63 -0.91 -2.65 116.57 120.59 2yu0 h LYS 64 Ca 0.22 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 2yu0 h LYS 64 Cb 0.32 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 2yu0 h LYS 64 CO -0.39 0.69 -0.02 1.25 -3.45 0.00 0.00 179.45 177.53 2yu0 h LEU 65 N 1.07 -0.04 -0.82 5.20 7.12 -0.04 -3.14 115.31 124.66 2yu0 h LEU 65 Ca 0.42 -0.40 0.11 0.00 0.13 0.00 0.00 57.88 58.13 2yu0 h LEU 65 Cb 0.21 0.01 -0.12 0.00 -0.53 0.00 0.00 40.66 40.23 2yu0 h LEU 65 CO -0.19 0.38 -0.47 0.40 -0.13 0.00 0.00 178.44 178.43 2yu0 h ILE 66 N -0.48 0.03 -0.67 4.05 2.04 -0.36 0.27 117.51 122.38 2yu0 h ILE 66 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 2yu0 h ILE 66 Cb 0.44 0.03 -0.10 0.00 -0.74 0.00 0.00 36.82 36.46 2yu0 h ILE 66 CO 0.01 0.00 0.18 -0.33 0.00 0.00 0.00 178.15 178.01 2yu0 h GLU 67 N -0.10 0.29 -0.20 2.37 5.08 -1.55 0.33 114.58 120.80 2yu0 h GLU 67 Ca 0.22 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2yu0 h GLU 67 Cb 0.53 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2yu0 h GLU 67 CO -0.85 0.19 0.17 0.35 -1.00 0.00 0.00 179.01 177.87 2yu0 h PHE 68 N 0.30 0.00 0.00 4.33 3.57 -0.45 0.23 116.94 124.92 2yu0 h PHE 68 Ca 0.37 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2yu0 h PHE 68 Cb 0.57 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.31 2yu0 h PHE 68 CO -0.24 0.00 -0.26 0.00 -2.23 0.00 0.00 178.31 175.58 2yu0 h GLU 70 N 0.00 0.34 0.00 0.00 5.08 0.22 -1.81 114.58 118.41 2yu0 h GLU 70 Ca 0.00 -0.55 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 2yu0 h GLU 70 Cb 0.81 0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2yu0 h GLU 70 CO 0.00 1.25 0.00 -0.85 -1.00 0.00 0.00 179.01 178.41 2yu0 n GLU 71 N -4.09 0.13 -3.89 2.33 0.28 -0.98 -4.39 120.64 110.02 2yu0 n GLU 71 Ca -0.14 0.59 -0.35 0.00 -0.16 0.00 0.00 57.16 57.10 2yu0 n GLU 71 Cb 0.83 -1.90 -0.14 0.00 1.43 0.00 0.00 31.44 31.67 2yu0 n GLU 71 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2yu0 s VAL 72 N -3.46 3.63 -1.36 3.84 1.01 -1.22 -4.97 120.40 117.87 2yu0 s VAL 72 Ca -0.01 -0.41 0.15 0.00 0.00 0.00 0.00 61.98 61.71 2yu0 s VAL 72 Cb 0.06 -2.66 0.24 0.00 0.00 0.00 0.00 36.38 34.02 2yu0 s VAL 72 CO 0.20 0.40 1.42 -0.81 0.00 0.00 0.00 175.10 176.32 2yu0 n PRO 73 N 4.78 0.18 0.00 2.72 -0.04 -1.26 -1.32 135.00 140.05 2yu0 n PRO 73 Ca -0.18 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2yu0 n PRO 73 Cb 0.51 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.32 3.99 0.07 0.55 0.00 -1.26 -4.34 120.51 118.20 2yu0 n ALA 74 Ca 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 53.44 52.94 2yu0 n ALA 74 Cb 0.13 -0.70 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.79 0.07 0.23 0.00 4.77 -0.79 -4.61 117.00 115.87 2yu0 n LEU 75 Ca 0.06 -0.32 0.18 0.00 -0.03 0.00 0.00 56.01 55.89 2yu0 n LEU 75 Cb 0.36 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.27 2yu0 n LEU 75 CO 0.33 0.02 1.15 0.03 -1.33 0.00 0.00 177.39 177.58 2yu0 h ARG 76 N 0.00 0.00 -0.44 3.23 3.08 -0.29 0.25 114.38 120.21 2yu0 h ARG 76 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2yu0 h ARG 76 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2yu0 h ARG 76 CO 0.00 0.00 -0.00 -0.22 -1.07 0.00 0.00 179.97 178.68 2yu0 h LYS 77 N 0.00 0.77 0.15 0.04 3.11 -1.85 -3.11 116.57 115.68 2yu0 h LYS 77 Ca 0.08 -0.25 -0.29 0.00 -2.81 0.00 0.00 60.65 57.38 2yu0 h LYS 77 Cb 0.73 -0.07 0.02 0.00 -1.00 0.00 0.00 32.23 31.91 2yu0 h LYS 77 CO -0.00 0.84 -1.27 0.00 -2.81 0.00 0.00 179.45 176.21 2yu0 h ARG 78 N 0.61 0.44 -0.45 1.90 2.47 -1.32 -3.31 114.38 114.73 2yu0 h ARG 78 Ca 0.12 -0.67 0.05 0.00 -1.26 0.00 0.00 59.98 58.22 2yu0 h ARG 78 Cb 0.49 0.24 -0.08 0.00 -1.65 0.00 0.00 29.97 28.97 2yu0 h ARG 78 CO 0.02 1.30 -0.53 0.00 0.56 0.00 0.00 179.97 181.33 2yu0 h ALA 79 N 0.42 -0.73 -0.89 0.04 0.00 -1.28 0.29 119.26 117.11 2yu0 h ALA 79 Ca -0.17 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.90 2yu0 h ALA 79 Cb 1.97 1.14 -0.09 0.00 0.00 0.00 0.00 17.79 20.80 2yu0 h ALA 79 CO 0.23 -1.00 0.49 1.05 0.00 0.00 0.00 179.25 180.02 2yu0 h GLU 80 N -0.33 0.67 -0.68 0.00 4.11 -1.68 0.44 114.58 117.12 2yu0 h GLU 80 Ca 0.08 -0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.43 2yu0 h GLU 80 Cb 0.54 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2yu0 h GLU 80 CO -0.60 0.45 0.27 0.82 0.07 0.00 0.00 179.01 180.02 2yu0 h ILE 81 N 0.69 1.24 -0.06 -1.06 2.04 -0.98 -2.33 117.51 117.05 2yu0 h ILE 81 Ca 0.48 -0.74 -0.12 0.00 1.00 0.00 0.00 64.86 65.48 2yu0 h ILE 81 Cb 0.65 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2yu0 h ILE 81 CO -0.35 0.30 -0.51 -0.07 0.00 0.00 0.00 178.15 177.52 2yu0 h LEU 82 N 0.99 0.19 -1.07 1.44 3.38 0.15 -2.94 115.31 117.44 2yu0 h LEU 82 Ca 0.23 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 2yu0 h LEU 82 Cb 0.19 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2yu0 h LEU 82 CO -0.02 0.67 -0.19 0.11 0.09 0.00 0.00 178.44 179.09 2yu0 h LYS 83 N 0.14 0.43 0.33 1.13 1.57 -0.58 -1.32 116.57 118.26 2yu0 h LYS 83 Ca 0.00 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 2yu0 h LYS 83 Cb 0.95 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2yu0 h LYS 83 CO 0.08 0.61 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.19 2yu0 h LYS 84 N 0.39 -0.42 -0.96 3.15 1.63 -1.30 -3.18 116.57 115.88 2yu0 h LYS 84 Ca 0.07 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2yu0 h LYS 84 Cb 0.56 0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 32.24 2yu0 h LYS 84 CO 0.04 -0.12 0.61 1.05 -3.45 0.00 0.00 179.45 177.58 2yu0 h GLU 85 N -0.74 1.28 -0.85 1.90 4.11 -1.51 -3.05 114.58 115.73 2yu0 h GLU 85 Ca -0.05 -0.10 0.09 0.00 0.07 0.00 0.00 59.36 59.38 2yu0 h GLU 85 Cb 0.50 -0.28 -0.11 0.00 0.50 0.00 0.00 28.75 29.36 2yu0 h GLU 85 CO 0.07 0.87 -0.45 -2.13 0.07 0.00 0.00 179.01 177.45 2yu0 n ARG 86 N -4.38 -0.32 -2.08 1.06 0.63 -0.50 -4.33 116.66 106.73 2yu0 n ARG 86 Ca 0.11 1.29 -0.40 0.00 -0.92 0.00 0.00 57.85 57.93 2yu0 n ARG 86 Cb 0.03 -1.90 -0.01 0.00 0.45 0.00 0.00 32.46 31.04 2yu0 n ARG 86 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2yu0 s SER 87 N -5.39 6.42 -0.06 6.15 1.04 -1.15 -4.95 113.70 115.76 2yu0 s SER 87 Ca -0.11 2.64 -0.02 0.00 0.48 0.00 0.00 55.95 58.94 2yu0 s SER 87 Cb 0.12 -2.64 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2yu0 s SER 87 CO 0.55 -0.77 -0.06 -0.62 0.98 0.00 0.00 173.24 173.31 2yu0 n GLU 88 N 0.26 0.13 0.04 4.02 1.02 -1.26 -4.78 120.64 120.07 2yu0 n GLU 88 Ca 0.03 0.05 -0.17 0.00 -0.02 0.00 0.00 57.16 57.05 2yu0 n GLU 88 Cb 0.43 -0.87 -0.14 0.00 -0.02 0.00 0.00 31.44 30.84 2yu0 n GLU 88 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2yu0 h SER 89 N -0.12 0.35 -2.29 1.62 0.87 -1.97 -3.47 113.55 108.53 2yu0 h SER 89 Ca -0.14 -0.55 -0.60 0.00 -1.23 0.00 0.00 61.79 59.27 2yu0 h SER 89 Cb 1.15 -0.11 0.16 0.00 -0.44 0.00 0.00 62.40 63.16 2yu0 h SER 89 CO -0.06 1.46 -0.68 0.61 -0.53 0.00 0.00 176.83 177.63 2yu0 n GLY 90 N 1.71 -2.13 3.76 5.77 0.00 -1.26 -4.87 105.19 108.15 2yu0 n GLY 90 Ca -0.19 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2yu0 n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu0 s PRO 91 N -1.46 4.44 0.21 1.61 0.04 -1.26 -5.04 135.00 133.54 2yu0 s PRO 91 Ca 0.62 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.73 2yu0 s PRO 91 Cb -0.55 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 30.80 2yu0 s PRO 91 CO 0.60 -0.10 0.07 -1.54 0.04 0.00 0.00 177.00 176.06 2yu0 s SER 92 N -0.31 0.97 -0.03 6.66 1.04 -1.26 -5.15 113.70 115.61 2yu0 s SER 92 Ca 0.50 -1.30 -0.02 0.00 0.48 0.00 0.00 55.95 55.61 2yu0 s SER 92 Cb -0.37 0.19 0.02 0.00 0.10 0.00 0.00 66.02 65.96 2yu0 s SER 92 CO 0.45 -0.70 0.08 -0.94 0.98 0.00 0.00 173.24 173.12 2yu0 s SER 93 N -3.22 -0.06 0.00 7.02 1.04 -1.26 -5.29 113.70 111.93 2yu0 s SER 93 Ca 0.32 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2yu0 s SER 93 Cb 0.07 0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2yu0 s SER 93 CO 0.09 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.85