#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu0 n SER 2 N 0.00 1.85 -4.71 1.61 2.88 -1.26 -4.90 113.62 109.08 2yu0 n SER 2 Ca 0.00 0.53 -0.40 0.00 -1.33 0.00 0.00 58.87 57.68 2yu0 n SER 2 Cb 0.00 -0.86 -0.05 0.00 -0.75 0.00 0.00 64.21 62.55 2yu0 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu0 s SER 3 N -6.05 6.92 0.00 -3.46 0.15 -1.26 -5.04 113.70 104.97 2yu0 s SER 3 Ca -0.21 1.11 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2yu0 s SER 3 Cb 0.04 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 2yu0 s SER 3 CO 0.33 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.27 2yu0 n GLY 4 N 3.18 0.38 3.68 9.45 0.00 -1.26 -5.03 105.19 115.59 2yu0 n GLY 4 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2yu0 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yu0 s SER 5 N -1.00 6.48 0.03 1.61 0.01 -1.26 -4.99 113.70 114.57 2yu0 s SER 5 Ca 0.00 0.56 -0.29 0.00 1.31 0.00 0.00 55.95 57.53 2yu0 s SER 5 Cb 0.00 -2.24 -0.17 0.00 0.21 0.00 0.00 66.02 63.82 2yu0 s SER 5 CO 0.00 -0.07 1.33 0.28 0.41 0.00 0.00 173.24 175.19 2yu0 h SER 6 N 7.27 -0.70 -6.82 2.44 0.02 -2.05 -3.46 113.55 110.26 2yu0 h SER 6 Ca -0.37 -0.03 -0.56 0.00 -0.84 0.00 0.00 61.79 60.00 2yu0 h SER 6 Cb 1.16 0.18 -0.22 0.00 0.14 0.00 0.00 62.40 63.67 2yu0 h SER 6 CO 0.73 -0.38 -0.86 0.61 -1.14 0.00 0.00 176.83 175.79 2yu0 n GLY 7 N -0.89 -0.38 3.68 -3.77 0.00 -1.26 -4.90 105.19 97.66 2yu0 n GLY 7 Ca -0.12 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.46 5.20 0.06 -0.61 1.01 -1.26 -5.03 121.20 117.11 2yu0 s ILE 8 Ca 0.60 0.75 0.04 0.00 0.00 0.00 0.00 60.65 62.03 2yu0 s ILE 8 Cb -0.33 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 2yu0 s ILE 8 CO 0.95 0.26 -0.11 0.54 0.00 0.00 0.00 174.94 176.58 2yu0 s VAL 9 N 1.20 0.83 0.53 2.92 0.11 -1.26 -5.02 120.40 119.72 2yu0 s VAL 9 Ca 0.20 -1.26 0.38 0.00 -2.93 0.00 0.00 61.98 58.37 2yu0 s VAL 9 Cb -0.15 -0.92 0.58 0.00 -1.53 0.00 0.00 36.38 34.37 2yu0 s VAL 9 CO 0.08 -0.35 1.75 -0.07 -3.33 0.00 0.00 175.10 173.18 2yu0 h LEU 10 N 4.26 0.04 -0.79 2.54 4.07 -1.99 0.54 115.31 123.98 2yu0 h LEU 10 Ca -0.38 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.57 2yu0 h LEU 10 Cb 1.20 0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 2yu0 h LEU 10 CO 0.42 -0.00 0.43 0.25 -1.08 0.00 0.00 178.44 178.47 2yu0 h LEU 11 N 0.03 0.98 -2.04 1.67 7.12 -1.96 -1.60 115.31 119.50 2yu0 h LEU 11 Ca 0.65 -0.10 0.03 0.00 0.13 0.00 0.00 57.88 58.59 2yu0 h LEU 11 Cb 2.52 -0.25 -0.00 0.00 -0.53 0.00 0.00 40.66 42.40 2yu0 h LEU 11 CO -0.04 0.79 0.34 0.03 -0.13 0.00 0.00 178.44 179.44 2yu0 h ARG 12 N 1.09 0.00 -1.24 1.25 3.08 -0.30 -2.53 114.38 115.73 2yu0 h ARG 12 Ca 0.28 0.00 0.36 0.00 0.07 0.00 0.00 59.98 60.69 2yu0 h ARG 12 Cb 0.03 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.03 2yu0 h ARG 12 CO -0.05 0.00 1.24 0.41 -1.07 0.00 0.00 179.97 180.51 2yu0 n GLY 13 N -1.29 -0.79 0.08 0.04 0.00 -0.60 0.45 105.19 103.07 2yu0 n GLY 13 Ca 0.00 0.43 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 2yu0 n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2yu0 h LEU 14 N 0.00 0.00 -1.25 0.99 3.38 -1.70 -3.36 115.31 113.37 2yu0 h LEU 14 Ca 0.59 -0.68 0.06 0.00 0.09 0.00 0.00 57.88 57.95 2yu0 h LEU 14 Cb 3.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 43.77 2yu0 h LEU 14 CO -0.01 1.11 0.54 -0.33 0.09 0.00 0.00 178.44 179.84 2yu0 h GLU 15 N -1.00 0.87 -0.61 1.13 5.08 -0.21 -2.72 114.58 117.12 2yu0 h GLU 15 Ca -0.12 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2yu0 h GLU 15 Cb 0.98 -0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.93 2yu0 h GLU 15 CO -0.07 0.58 -0.41 0.00 -1.00 0.00 0.00 179.01 178.10 2yu0 s ILE 17 N -5.87 2.99 0.78 0.00 -4.36 -1.03 -4.99 121.20 108.72 2yu0 s ILE 17 Ca -0.14 0.93 -0.13 0.00 -0.26 0.00 0.00 60.65 61.05 2yu0 s ILE 17 Cb 0.14 -3.59 0.07 0.00 1.25 0.00 0.00 42.46 40.32 2yu0 s ILE 17 CO 0.67 0.20 1.17 0.20 0.24 0.00 0.00 174.94 177.41 2yu0 s ASN 18 N -0.30 3.96 0.59 4.36 -0.87 -1.26 -4.68 114.94 116.74 2yu0 s ASN 18 Ca 0.51 2.20 0.26 0.00 -1.57 0.00 0.00 52.86 54.26 2yu0 s ASN 18 Cb -0.37 -2.57 1.44 0.00 -0.02 0.00 0.00 41.25 39.72 2yu0 s ASN 18 CO 0.46 -2.42 1.79 0.11 -2.57 0.00 0.00 177.10 174.48 2yu0 h LYS 19 N -0.83 0.00 0.86 -0.60 1.79 -1.94 -1.76 116.57 114.09 2yu0 h LYS 19 Ca -0.46 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 57.97 2yu0 h LYS 19 Cb 1.27 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.93 2yu0 h LYS 19 CO 0.48 0.00 -0.41 1.25 -1.08 0.00 0.00 179.45 179.69 2yu0 h HIS 20 N 0.00 -1.07 -0.23 -1.35 -0.00 -2.02 -2.92 115.15 107.56 2yu0 h HIS 20 Ca 0.00 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.22 2yu0 h HIS 20 Cb 0.63 0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 28.40 2yu0 h HIS 20 CO 0.00 -0.66 -0.35 1.88 -0.00 0.00 0.00 177.93 178.80 2yu0 h TYR 21 N -1.28 0.80 -1.09 5.26 0.05 -1.72 -3.14 116.97 115.84 2yu0 h TYR 21 Ca -0.12 -0.27 0.37 0.00 0.05 0.00 0.00 58.73 58.77 2yu0 h TYR 21 Cb 0.88 -0.16 -0.15 0.00 1.01 0.00 0.00 36.73 38.32 2yu0 h TYR 21 CO 0.01 1.02 0.65 0.35 -1.05 0.00 0.00 178.16 179.13 2yu0 h PHE 22 N 0.35 0.78 -0.56 4.88 3.57 -1.41 0.43 116.94 124.97 2yu0 h PHE 22 Ca 0.02 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.66 2yu0 h PHE 22 Cb 0.93 -0.20 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 2yu0 h PHE 22 CO 0.08 -0.24 0.12 1.03 -2.23 0.00 0.00 178.31 177.07 2yu0 h SER 23 N 0.19 0.00 0.49 0.41 0.87 -1.46 -2.39 113.55 111.66 2yu0 h SER 23 Ca 0.78 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 61.42 2yu0 h SER 23 Cb 2.04 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 64.14 2yu0 h SER 23 CO -0.57 0.02 -0.31 -0.07 -0.53 0.00 0.00 176.83 175.37 2yu0 h LEU 24 N 0.25 -0.79 -0.89 2.23 4.07 -0.31 -2.45 115.31 117.42 2yu0 h LEU 24 Ca 0.29 0.05 0.19 0.00 0.08 0.00 0.00 57.88 58.48 2yu0 h LEU 24 Cb 0.41 0.24 -0.17 0.00 1.08 0.00 0.00 40.66 42.22 2yu0 h LEU 24 CO -0.37 -0.49 -0.19 0.15 -1.08 0.00 0.00 178.44 176.46 2yu0 h PHE 25 N -0.77 -0.41 -0.89 1.13 3.57 -1.33 0.84 116.94 119.08 2yu0 h PHE 25 Ca -0.06 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.56 2yu0 h PHE 25 Cb 0.63 0.32 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 2yu0 h PHE 25 CO -0.10 -0.38 0.58 0.87 -2.23 0.00 0.00 178.31 177.05 2yu0 h LYS 26 N 0.01 1.08 0.00 1.11 1.57 -1.19 -0.35 116.57 118.80 2yu0 h LYS 26 Ca 0.44 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 59.09 2yu0 h LYS 26 Cb 0.70 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2yu0 h LYS 26 CO -0.90 0.72 -0.31 1.03 -0.57 0.00 0.00 179.45 179.41 2yu0 h SER 27 N 1.12 0.00 0.58 0.86 0.87 0.11 0.93 113.55 118.02 2yu0 h SER 27 Ca 0.35 0.00 -0.28 0.00 -1.23 0.00 0.00 61.79 60.63 2yu0 h SER 27 Cb 0.01 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2yu0 h SER 27 CO -0.10 0.31 -1.24 -0.07 -0.53 0.00 0.00 176.83 175.20 2yu0 h LEU 28 N 0.00 0.47 0.00 2.23 3.38 0.22 -3.30 115.31 118.30 2yu0 h LEU 28 Ca -0.00 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 2yu0 h LEU 28 Cb 0.59 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2yu0 h LEU 28 CO 0.04 1.38 -1.01 -0.07 0.09 0.00 0.00 178.44 178.87 2yu0 h LEU 29 N 0.09 0.00 -0.75 1.67 -0.00 -0.86 -3.38 115.31 112.08 2yu0 h LEU 29 Ca -0.14 0.00 0.15 0.00 -0.00 0.00 0.00 57.88 57.89 2yu0 h LEU 29 Cb 1.96 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 42.48 2yu0 h LEU 29 CO 0.21 0.28 -0.18 0.00 -0.00 0.00 0.00 178.44 178.75 2yu0 n ALA 30 N -2.26 0.18 0.18 1.53 0.00 0.32 0.43 120.51 120.89 2yu0 n ALA 30 Ca -0.03 0.82 -0.15 0.00 0.00 0.00 0.00 53.44 54.08 2yu0 n ALA 30 Cb 0.68 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.74 0.59 0.00 0.11 -1.78 1.97 114.38 114.53 2yu0 h ARG 31 Ca 0.36 0.05 -0.03 0.00 0.10 0.00 0.00 59.98 60.46 2yu0 h ARG 31 Cb 0.55 0.17 0.01 0.00 1.11 0.00 0.00 29.97 31.80 2yu0 h ARG 31 CO -0.77 -0.49 -0.29 -0.44 0.10 0.00 0.00 179.97 178.08 2yu0 h ASP 32 N -0.77 -0.68 -0.16 0.08 5.19 -0.76 -2.85 116.42 116.48 2yu0 h ASP 32 Ca -0.03 0.02 0.05 0.00 -0.62 0.00 0.00 57.03 56.45 2yu0 h ASP 32 Cb 0.70 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.38 2yu0 h ASP 32 CO -0.14 -0.43 0.26 -0.07 -3.12 0.00 0.00 179.24 175.74 2yu0 h LEU 33 N -0.91 0.00 0.08 1.55 3.38 -0.06 -3.45 115.31 115.90 2yu0 h LEU 33 Ca -0.08 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 2yu0 h LEU 33 Cb 0.61 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.39 2yu0 h LEU 33 CO 0.13 0.00 -0.26 -3.20 0.09 0.00 0.00 178.44 175.20 2yu0 n ASN 34 N -3.47 -3.54 -4.74 -0.43 2.85 0.65 -5.00 115.26 101.58 2yu0 n ASN 34 Ca 0.01 -0.13 -0.29 0.00 -0.11 0.00 0.00 54.58 54.07 2yu0 n ASN 34 Cb 0.36 -2.43 0.15 0.00 1.24 0.00 0.00 39.78 39.11 2yu0 n ASN 34 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yu0 s LEU 35 N -3.19 1.85 -0.63 1.20 1.43 0.00 -4.99 118.68 114.35 2yu0 s LEU 35 Ca 0.14 1.09 -0.17 0.00 -1.03 0.00 0.00 54.13 54.15 2yu0 s LEU 35 Cb -0.06 -3.36 0.13 0.00 0.03 0.00 0.00 46.19 42.93 2yu0 s LEU 35 CO 0.17 -2.79 0.67 -1.61 0.23 0.00 0.00 176.35 173.01 2yu0 s GLU 36 N -5.13 3.14 0.43 1.70 2.02 -1.26 -4.83 118.70 114.77 2yu0 s GLU 36 Ca 0.64 -1.66 0.38 0.00 0.02 0.00 0.00 54.97 54.36 2yu0 s GLU 36 Cb -0.17 -4.34 1.34 0.00 0.10 0.00 0.00 34.13 31.07 2yu0 s GLU 36 CO 0.55 -1.44 1.22 0.54 0.02 0.00 0.00 175.26 176.15 2yu0 n ARG 37 N 5.61 -0.00 -0.11 1.61 1.74 -1.26 0.86 116.66 125.12 2yu0 n ARG 37 Ca -0.06 0.86 -0.22 0.00 -0.77 0.00 0.00 57.85 57.67 2yu0 n ARG 37 Cb 0.43 -1.96 -0.11 0.00 -1.02 0.00 0.00 32.46 29.80 2yu0 n ARG 37 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2yu0 n ASP 38 N -3.58 1.86 -1.94 0.55 -0.08 -1.26 -4.27 116.55 107.83 2yu0 n ASP 38 Ca 0.35 0.42 -0.18 0.00 -1.51 0.00 0.00 54.79 53.87 2yu0 n ASP 38 Cb 1.55 -0.96 0.04 0.00 2.34 0.00 0.00 41.12 44.09 2yu0 n ASP 38 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2yu0 n ASN 39 N -4.43 6.56 0.10 1.67 4.05 0.25 -4.23 115.26 119.23 2yu0 n ASN 39 Ca -0.33 -3.12 0.12 0.00 0.45 0.00 0.00 54.58 51.70 2yu0 n ASN 39 Cb 0.68 -1.06 0.14 0.00 1.23 0.00 0.00 39.78 40.77 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 1.56 0.00 -0.42 1.20 4.20 -0.72 -3.34 115.11 117.59 2yu0 h GLN 40 Ca 0.32 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.96 2yu0 h GLN 40 Cb 0.90 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 2yu0 h GLN 40 CO 0.82 0.00 0.01 1.49 -0.67 0.00 0.00 178.83 180.48 2yu0 h GLU 41 N 0.00 0.74 -0.94 1.46 4.57 -1.85 -2.96 114.58 115.60 2yu0 h GLU 41 Ca 0.00 -0.23 0.14 0.00 -1.18 0.00 0.00 59.36 58.09 2yu0 h GLU 41 Cb 0.85 -0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 29.28 2yu0 h GLU 41 CO 0.00 0.81 0.55 -0.56 -1.18 0.00 0.00 179.01 178.63 2yu0 h GLN 42 N 0.58 0.78 -6.82 1.92 3.07 -1.92 -3.41 115.11 109.31 2yu0 h GLN 42 Ca 0.12 -0.05 -0.52 0.00 0.09 0.00 0.00 58.65 58.29 2yu0 h GLN 42 Cb 0.47 -0.18 0.06 0.00 0.08 0.00 0.00 27.48 27.91 2yu0 h GLN 42 CO 0.02 0.51 0.66 0.71 0.09 0.00 0.00 178.83 180.83 2yu0 s TYR 43 N -5.94 3.08 0.32 0.06 2.02 -1.12 -5.03 117.35 110.74 2yu0 s TYR 43 Ca -0.12 1.31 0.05 0.00 -0.37 0.00 0.00 57.07 57.95 2yu0 s TYR 43 Cb 0.22 -3.69 -0.06 0.00 -0.40 0.00 0.00 41.96 38.03 2yu0 s TYR 43 CO 0.80 -2.01 0.01 0.95 -1.57 0.00 0.00 175.55 173.73 2yu0 s THR 44 N -0.73 1.45 0.60 -0.71 -4.23 -1.26 -4.95 115.64 105.82 2yu0 s THR 44 Ca 0.52 -2.04 0.28 0.00 -1.18 0.00 0.00 61.69 59.28 2yu0 s THR 44 Cb -0.40 -2.72 0.40 0.00 1.34 0.00 0.00 72.50 71.13 2yu0 s THR 44 CO 0.49 -0.10 1.56 0.71 -0.54 0.00 0.00 174.62 176.74 2yu0 h THR 45 N 2.12 0.14 0.09 3.99 1.35 -1.96 -0.21 112.91 118.43 2yu0 h THR 45 Ca -0.41 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2yu0 h THR 45 Cb 1.24 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2yu0 h THR 45 CO 0.71 0.00 -0.04 0.40 -0.25 0.00 0.00 175.52 176.33 2yu0 h ILE 46 N 0.00 0.00 -0.35 6.82 1.08 -1.99 -2.54 117.51 120.54 2yu0 h ILE 46 Ca 0.39 -0.35 0.08 0.00 -0.39 0.00 0.00 64.86 64.58 2yu0 h ILE 46 Cb 2.23 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 35.90 2yu0 h ILE 46 CO -0.00 0.00 -0.18 1.56 -0.69 0.00 0.00 178.15 178.83 2yu0 h GLN 47 N -0.47 -0.12 -0.72 2.37 4.20 -1.65 -1.10 115.11 117.62 2yu0 h GLN 47 Ca -0.01 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.79 2yu0 h GLN 47 Cb 0.09 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 2yu0 h GLN 47 CO 0.02 -0.08 0.38 0.82 -0.67 0.00 0.00 178.83 179.30 2yu0 h ILE 48 N -0.13 0.90 0.24 2.54 1.08 -1.25 -2.26 117.51 118.64 2yu0 h ILE 48 Ca 0.18 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 64.42 2yu0 h ILE 48 Cb 0.40 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.30 2yu0 h ILE 48 CO -0.43 0.12 -0.38 0.00 -0.69 0.00 0.00 178.15 176.78 2yu0 h ALA 49 N 1.40 -0.97 -0.63 1.87 0.00 -0.76 -1.64 119.26 118.53 2yu0 h ALA 49 Ca 0.34 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.26 2yu0 h ALA 49 Cb 0.30 0.68 -0.12 0.00 0.00 0.00 0.00 17.79 18.65 2yu0 h ALA 49 CO -0.23 -1.03 -0.16 -0.91 0.00 0.00 0.00 179.25 176.93 2yu0 h ASN 50 N -0.65 -0.58 -0.93 0.00 2.35 -1.22 0.39 115.58 114.94 2yu0 h ASN 50 Ca -0.03 0.19 0.19 0.00 -0.55 0.00 0.00 56.30 56.10 2yu0 h ASN 50 Cb 0.60 0.39 -0.08 0.00 0.05 0.00 0.00 38.32 39.28 2yu0 h ASN 50 CO -0.12 -0.21 0.60 0.24 -1.65 0.00 0.00 177.43 176.29 2yu0 h MET 51 N 0.00 0.54 -0.04 0.81 2.86 -1.08 -0.42 114.93 117.60 2yu0 h MET 51 Ca 0.30 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.65 2yu0 h MET 51 Cb 0.46 -0.12 0.02 0.00 0.06 0.00 0.00 31.60 32.02 2yu0 h MET 51 CO -0.65 0.36 -0.98 0.52 1.06 0.00 0.00 176.91 177.22 2yu0 h MET 52 N 0.56 0.73 -0.89 1.72 2.86 0.64 -1.34 114.93 119.20 2yu0 h MET 52 Ca 0.49 -0.74 0.20 0.00 -2.06 0.00 0.00 59.70 57.60 2yu0 h MET 52 Cb 1.01 0.20 -0.11 0.00 0.06 0.00 0.00 31.60 32.75 2yu0 h MET 52 CO -0.23 1.31 0.43 0.93 1.06 0.00 0.00 176.91 180.41 2yu0 h GLU 53 N 0.44 0.48 0.12 1.72 5.08 0.76 0.31 114.58 123.48 2yu0 h GLU 53 Ca -0.11 -0.03 -0.25 0.00 -1.00 0.00 0.00 59.36 57.97 2yu0 h GLU 53 Cb 1.63 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2yu0 h GLU 53 CO 0.19 0.32 -1.27 1.05 -1.00 0.00 0.00 179.01 178.30 2yu0 h GLU 54 N 0.49 0.25 0.35 2.33 4.11 -1.53 -3.30 114.58 117.28 2yu0 h GLU 54 Ca 0.54 -0.42 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2yu0 h GLU 54 Cb 0.95 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2yu0 h GLU 54 CO -0.47 1.20 -0.33 -0.22 0.07 0.00 0.00 179.01 179.26 2yu0 h LYS 55 N -0.34 -0.65 -3.45 1.06 1.63 -0.59 -3.34 116.57 110.89 2yu0 h LYS 55 Ca -0.27 0.04 -0.71 0.00 -0.85 0.00 0.00 60.65 58.86 2yu0 h LYS 55 Cb 1.72 0.15 -0.34 0.00 -0.60 0.00 0.00 32.23 33.15 2yu0 h LYS 55 CO 0.07 -0.43 -0.14 -0.06 -3.45 0.00 0.00 179.45 175.43 2yu0 s PHE 56 N -4.86 3.74 -1.55 1.91 0.40 0.10 -4.89 117.98 112.84 2yu0 s PHE 56 Ca -0.12 -2.83 0.15 0.00 -0.60 0.00 0.00 56.93 53.53 2yu0 s PHE 56 Cb 0.03 -3.30 0.78 0.00 0.51 0.00 0.00 43.02 41.04 2yu0 s PHE 56 CO 0.39 -0.80 1.39 -0.35 0.70 0.00 0.00 175.22 176.55 2yu0 n PRO 57 N 2.85 0.26 0.00 0.24 -0.04 -1.24 0.11 135.00 137.18 2yu0 n PRO 57 Ca 0.16 0.12 -0.08 0.00 -0.04 0.00 0.00 63.50 63.66 2yu0 n PRO 57 Cb 0.38 -1.50 -0.07 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 2.75 -0.12 -0.00 0.55 0.00 -1.90 -3.40 119.26 117.14 2yu0 h ALA 58 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2yu0 h ALA 58 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2yu0 h ALA 58 CO 0.00 -0.15 -0.20 -0.25 0.00 0.00 0.00 179.25 178.64 2yu0 n ASP 59 N -4.82 0.32 -1.87 0.00 9.92 -1.20 -5.00 116.55 113.90 2yu0 n ASP 59 Ca -0.06 -0.66 -0.17 0.00 -0.53 0.00 0.00 54.79 53.36 2yu0 n ASP 59 Cb 0.24 0.92 -0.02 0.00 -0.64 0.00 0.00 41.12 41.62 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 -1.00 -5.13 0.00 -2.24 7.64 0.30 -1.46 113.62 111.73 2yu0 n SER 60 Ca 0.01 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2yu0 n SER 60 Cb 0.08 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.08 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 -0.98 0.73 0.16 0.23 0.00 -1.25 -4.20 105.19 99.89 2yu0 n GLY 61 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 0.57 0.13 0.99 5.85 -1.61 -3.00 115.31 118.24 2yu0 h LEU 62 Ca 0.00 -0.65 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 2yu0 h LEU 62 Cb 0.00 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.86 2yu0 h LEU 62 CO 0.00 1.13 -0.06 1.23 -0.34 0.00 0.00 178.44 180.40 2yu0 h GLY 63 N 0.06 -0.18 0.37 3.75 0.00 -1.93 -2.09 103.07 103.05 2yu0 h GLY 63 Ca -0.03 0.07 0.22 0.00 0.00 0.00 0.00 47.33 47.58 2yu0 h GLY 63 CO 0.10 -0.07 0.58 1.70 0.00 0.00 0.00 176.54 178.85 2yu0 h LYS 64 N -0.59 0.18 0.04 4.80 1.63 -1.96 -1.50 116.57 119.18 2yu0 h LYS 64 Ca -0.02 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2yu0 h LYS 64 Cb 0.46 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2yu0 h LYS 64 CO 0.03 0.12 -0.02 1.25 -3.45 0.00 0.00 179.45 177.38 2yu0 h LEU 65 N 0.19 -0.05 -0.51 5.20 7.12 -1.43 -3.14 115.31 122.69 2yu0 h LEU 65 Ca 0.42 -0.61 0.07 0.00 0.13 0.00 0.00 57.88 57.89 2yu0 h LEU 65 Cb 1.35 0.01 -0.10 0.00 -0.53 0.00 0.00 40.66 41.40 2yu0 h LEU 65 CO -0.08 0.63 -0.49 0.40 -0.13 0.00 0.00 178.44 178.77 2yu0 h ILE 66 N -0.77 0.05 -0.72 4.05 2.04 -0.56 0.54 117.51 122.14 2yu0 h ILE 66 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 2yu0 h ILE 66 Cb 0.66 0.05 -0.10 0.00 -0.74 0.00 0.00 36.82 36.69 2yu0 h ILE 66 CO 0.01 0.00 0.20 -0.33 0.00 0.00 0.00 178.15 178.03 2yu0 h GLU 67 N -0.29 0.30 -0.42 2.37 4.39 -1.58 0.32 114.58 119.67 2yu0 h GLU 67 Ca 0.13 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.91 2yu0 h GLU 67 Cb 0.57 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.13 2yu0 h GLU 67 CO -0.65 0.20 0.29 0.35 -1.16 0.00 0.00 179.01 178.04 2yu0 h PHE 68 N 0.31 0.15 0.00 4.33 3.57 -0.88 0.74 116.94 125.16 2yu0 h PHE 68 Ca 0.40 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.77 2yu0 h PHE 68 Cb 0.65 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 2yu0 h PHE 68 CO -0.23 0.07 -0.61 0.00 -2.23 0.00 0.00 178.31 175.31 2yu0 h GLU 70 N 0.00 -0.38 -1.31 0.00 5.08 -0.14 -2.82 114.58 115.01 2yu0 h GLU 70 Ca -0.01 0.03 0.40 0.00 -1.00 0.00 0.00 59.36 58.78 2yu0 h GLU 70 Cb 1.31 0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.55 2yu0 h GLU 70 CO 0.08 -0.10 0.88 1.05 -1.00 0.00 0.00 179.01 179.92 2yu0 h GLU 71 N -0.63 0.13 -5.14 2.33 4.11 -1.59 -3.36 114.58 110.42 2yu0 h GLU 71 Ca -0.04 -0.01 -0.62 0.00 0.07 0.00 0.00 59.36 58.76 2yu0 h GLU 71 Cb 0.45 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.52 2yu0 h GLU 71 CO 0.07 0.09 -0.52 0.08 0.07 0.00 0.00 179.01 178.79 2yu0 s VAL 72 N -5.23 5.19 0.28 -1.06 1.01 -1.08 -4.98 120.40 114.53 2yu0 s VAL 72 Ca -0.07 0.12 0.17 0.00 0.00 0.00 0.00 61.98 62.19 2yu0 s VAL 72 Cb 0.27 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 33.38 2yu0 s VAL 72 CO 0.82 0.38 1.79 1.55 0.00 0.00 0.00 175.10 179.65 2yu0 h PRO 73 N 7.27 0.00 0.00 2.72 0.13 -1.79 -1.62 132.00 138.71 2yu0 h PRO 73 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2yu0 h PRO 73 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2yu0 h PRO 73 CO 0.68 0.37 0.00 0.00 -0.23 0.00 0.00 178.00 178.82 2yu0 n ALA 74 N -2.36 2.24 0.39 -0.56 0.00 -1.26 -3.16 120.51 115.80 2yu0 n ALA 74 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.42 2yu0 n ALA 74 Cb 0.45 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.75 0.40 0.14 0.00 4.77 -0.98 -4.44 117.00 115.13 2yu0 n LEU 75 Ca 0.06 -0.37 0.10 0.00 -0.03 0.00 0.00 56.01 55.77 2yu0 n LEU 75 Cb 0.35 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 41.95 2yu0 n LEU 75 CO 0.27 0.10 0.79 0.54 -1.33 0.00 0.00 177.39 177.76 2yu0 n ARG 76 N -1.43 0.13 0.17 3.23 1.74 -0.65 -0.97 116.66 118.87 2yu0 n ARG 76 Ca 0.01 0.60 0.04 0.00 -0.77 0.00 0.00 57.85 57.73 2yu0 n ARG 76 Cb 0.21 -1.89 0.21 0.00 -1.02 0.00 0.00 32.46 29.97 2yu0 n ARG 76 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2yu0 h LYS 77 N 0.00 0.00 0.07 5.56 3.64 -1.78 -3.24 116.57 120.83 2yu0 h LYS 77 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 2yu0 h LYS 77 Cb 0.04 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 2yu0 h LYS 77 CO 0.00 0.44 -1.89 0.54 -2.27 0.00 0.00 179.45 176.28 2yu0 n ARG 78 N -3.41 0.69 -0.27 1.90 5.12 -0.15 -4.06 116.66 116.48 2yu0 n ARG 78 Ca 0.01 0.34 0.06 0.00 -1.93 0.00 0.00 57.85 56.32 2yu0 n ARG 78 Cb 0.60 -1.69 0.17 0.00 -1.16 0.00 0.00 32.46 30.39 2yu0 n ARG 78 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2yu0 h ALA 79 N -0.16 0.84 -0.30 7.54 0.00 -1.57 0.69 119.26 126.31 2yu0 h ALA 79 Ca -0.44 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2yu0 h ALA 79 Cb 1.80 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.02 2yu0 h ALA 79 CO -0.04 -0.44 0.08 1.05 0.00 0.00 0.00 179.25 179.90 2yu0 h GLU 80 N 0.09 0.42 -0.18 0.00 4.11 -1.74 0.21 114.58 117.49 2yu0 h GLU 80 Ca 0.44 -0.06 -0.15 0.00 0.07 0.00 0.00 59.36 59.66 2yu0 h GLU 80 Cb 0.79 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2yu0 h GLU 80 CO -0.70 0.39 -0.46 0.82 0.07 0.00 0.00 179.01 179.12 2yu0 h ILE 81 N 0.42 1.33 -0.06 -1.06 2.04 0.12 -2.44 117.51 117.85 2yu0 h ILE 81 Ca 0.10 -1.70 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 2yu0 h ILE 81 Cb 0.15 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2yu0 h ILE 81 CO -0.01 0.53 -0.12 -0.07 0.00 0.00 0.00 178.15 178.49 2yu0 h LEU 82 N 0.32 0.21 0.42 1.44 3.38 -0.47 -3.24 115.31 117.37 2yu0 h LEU 82 Ca -0.01 -0.56 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 2yu0 h LEU 82 Cb 1.08 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 2yu0 h LEU 82 CO 0.10 0.73 -0.44 0.11 0.09 0.00 0.00 178.44 179.02 2yu0 h LYS 83 N -0.30 -0.84 -0.78 1.13 1.57 -0.68 -1.62 116.57 115.05 2yu0 h LYS 83 Ca 0.00 0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.94 2yu0 h LYS 83 Cb 0.69 0.19 -0.11 0.00 0.08 0.00 0.00 32.23 33.08 2yu0 h LYS 83 CO 0.03 -0.56 -0.36 1.17 -0.57 0.00 0.00 179.45 179.16 2yu0 n LYS 84 N -5.10 -0.24 -0.04 3.15 3.00 -0.92 0.75 118.16 118.76 2yu0 n LYS 84 Ca -0.10 1.20 -0.09 0.00 -0.00 0.00 0.00 58.31 59.32 2yu0 n LYS 84 Cb 0.40 -1.77 -0.03 0.00 0.00 0.00 0.00 35.03 33.63 2yu0 n LYS 84 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2yu0 h GLU 85 N 0.00 0.09 -1.00 1.64 4.39 -1.53 -2.96 114.58 115.21 2yu0 h GLU 85 Ca 0.22 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.02 2yu0 h GLU 85 Cb 0.42 -0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.92 2yu0 h GLU 85 CO -0.76 0.06 -0.54 -2.13 -1.16 0.00 0.00 179.01 174.47 2yu0 n ARG 86 N -5.11 -0.39 -2.64 2.33 0.63 0.23 -4.28 116.66 107.43 2yu0 n ARG 86 Ca -0.03 1.52 -0.41 0.00 -0.92 0.00 0.00 57.85 58.01 2yu0 n ARG 86 Cb 0.09 -2.23 -0.04 0.00 0.45 0.00 0.00 32.46 30.72 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 -5.47 7.41 0.00 6.15 1.04 -0.94 -4.93 113.70 116.97 2yu0 s SER 87 Ca -0.12 1.94 0.00 0.00 0.48 0.00 0.00 55.95 58.25 2yu0 s SER 87 Cb 0.13 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2yu0 s SER 87 CO 0.64 -0.11 0.00 -1.84 0.98 0.00 0.00 173.24 172.91 2yu0 n GLU 88 N 2.44 0.00 -0.17 4.02 0.28 -1.26 -4.75 120.64 121.20 2yu0 n GLU 88 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.14 2yu0 n GLU 88 Cb 0.48 -0.77 0.22 0.00 1.43 0.00 0.00 31.44 32.80 2yu0 n GLU 88 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2yu0 n SER 89 N -2.44 3.27 0.00 -1.84 7.64 -1.26 -5.07 113.62 113.91 2yu0 n SER 89 Ca 0.00 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.91 2yu0 n SER 89 Cb 0.40 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 1.47 -1.55 3.71 0.23 0.00 -1.26 -4.96 105.19 102.82 2yu0 n GLY 90 Ca 0.19 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 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 0.00 4.31 0.07 1.61 0.04 -1.26 -4.91 135.00 134.87 2yu0 s PRO 91 Ca 0.00 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.15 2yu0 s PRO 91 Cb 0.00 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2yu0 s PRO 91 CO 0.00 -0.48 -0.21 0.45 0.04 0.00 0.00 177.00 176.80 2yu0 s SER 92 N 1.40 2.52 -0.02 6.66 0.15 -1.26 -5.14 113.70 118.01 2yu0 s SER 92 Ca 0.64 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.71 2yu0 s SER 92 Cb -0.35 -0.17 0.01 0.00 -1.71 0.00 0.00 66.02 63.79 2yu0 s SER 92 CO 0.29 0.11 -0.07 -0.94 1.20 0.00 0.00 173.24 173.84 2yu0 s SER 93 N -1.54 0.96 0.00 5.45 1.04 -1.26 -5.27 113.70 113.08 2yu0 s SER 93 Ca 0.07 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2yu0 s SER 93 Cb -0.09 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.76 2yu0 s SER 93 CO 0.03 0.04 0.38 0.61 0.98 0.00 0.00 173.24 175.27