#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 -1.66 -4.53 1.61 3.41 -1.26 -4.91 113.62 106.28 2yu0 n SER 2 Ca 0.00 -1.19 -0.34 0.00 -0.26 0.00 0.00 58.87 57.08 2yu0 n SER 2 Cb 0.00 -1.91 -0.12 0.00 -0.26 0.00 0.00 64.21 61.92 2yu0 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yu0 s SER 3 N -3.48 4.77 0.18 4.04 0.01 -1.26 -4.93 113.70 113.03 2yu0 s SER 3 Ca 0.65 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.83 2yu0 s SER 3 Cb -0.38 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2yu0 s SER 3 CO 1.00 0.24 0.00 0.61 0.41 0.00 0.00 173.24 175.50 2yu0 n GLY 4 N 3.05 -5.45 3.16 3.44 0.00 -1.26 -5.06 105.19 103.07 2yu0 n GLY 4 Ca -0.18 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 2yu0 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu0 s SER 5 N -0.52 1.41 -0.48 1.61 1.04 -1.26 -5.05 113.70 110.44 2yu0 s SER 5 Ca 0.00 -0.72 0.03 0.00 0.48 0.00 0.00 55.95 55.74 2yu0 s SER 5 Cb 0.00 -0.00 0.45 0.00 0.10 0.00 0.00 66.02 66.57 2yu0 s SER 5 CO 0.00 -0.20 1.60 -1.54 0.98 0.00 0.00 173.24 174.08 2yu0 n SER 6 N 0.90 6.28 -2.77 7.02 3.41 -1.26 -4.76 113.62 122.43 2yu0 n SER 6 Ca -0.19 -3.77 -0.39 0.00 -0.26 0.00 0.00 58.87 54.27 2yu0 n SER 6 Cb 0.56 -0.65 0.05 0.00 -0.26 0.00 0.00 64.21 63.91 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 -0.81 5.61 3.73 5.00 0.00 -1.26 -4.97 105.19 112.50 2yu0 n GLY 7 Ca 0.53 -2.44 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 -5.02 4.76 0.10 -0.61 1.09 -1.26 -4.97 121.20 115.29 2yu0 s ILE 8 Ca 0.55 -0.07 -0.26 0.00 -1.10 0.00 0.00 60.65 59.77 2yu0 s ILE 8 Cb 0.46 -3.05 0.08 0.00 -1.06 0.00 0.00 42.46 38.88 2yu0 s ILE 8 CO -0.32 0.58 0.86 0.54 -0.10 0.00 0.00 174.94 176.50 2yu0 s VAL 9 N -0.67 0.00 0.48 2.92 0.11 -1.26 -5.02 120.40 116.96 2yu0 s VAL 9 Ca 0.12 -0.32 0.27 0.00 -2.93 0.00 0.00 61.98 59.11 2yu0 s VAL 9 Cb -0.12 -1.44 0.46 0.00 -1.53 0.00 0.00 36.38 33.76 2yu0 s VAL 9 CO 0.02 0.00 1.82 -0.07 -3.33 0.00 0.00 175.10 173.54 2yu0 h LEU 10 N 2.00 0.21 -0.73 2.54 3.38 -2.00 0.15 115.31 120.86 2yu0 h LEU 10 Ca -0.24 0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.83 2yu0 h LEU 10 Cb 1.25 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2yu0 h LEU 10 CO 0.29 0.05 0.41 0.25 0.09 0.00 0.00 178.44 179.53 2yu0 h LEU 11 N 0.19 0.61 -1.20 1.67 7.12 -1.95 -1.15 115.31 120.60 2yu0 h LEU 11 Ca 0.54 0.03 0.27 0.00 0.13 0.00 0.00 57.88 58.85 2yu0 h LEU 11 Cb 1.75 -0.09 -0.04 0.00 -0.53 0.00 0.00 40.66 41.76 2yu0 h LEU 11 CO -0.13 0.38 1.10 0.08 -0.13 0.00 0.00 178.44 179.74 2yu0 h ARG 12 N 0.75 0.00 -1.43 1.25 0.11 -1.06 -0.98 114.38 113.01 2yu0 h ARG 12 Ca 0.33 0.00 0.42 0.00 0.10 0.00 0.00 59.98 60.83 2yu0 h ARG 12 Cb 0.23 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.25 2yu0 h ARG 12 CO -0.20 0.00 1.24 0.41 0.10 0.00 0.00 179.97 181.52 2yu0 n GLY 13 N -1.68 -0.82 0.06 0.08 0.00 -0.44 -0.37 105.19 102.02 2yu0 n GLY 13 Ca 0.21 0.50 -0.05 0.00 0.00 0.00 0.00 46.02 46.69 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 -1.94 0.99 3.38 -1.43 -3.35 115.31 112.95 2yu0 h LEU 14 Ca 0.68 -0.12 0.33 0.00 0.09 0.00 0.00 57.88 58.86 2yu0 h LEU 14 Cb 3.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 43.85 2yu0 h LEU 14 CO -0.01 0.71 0.83 -0.33 0.09 0.00 0.00 178.44 179.74 2yu0 h GLU 15 N -1.00 0.03 0.70 1.13 5.08 -0.91 -1.23 114.58 118.38 2yu0 h GLU 15 Ca -0.03 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2yu0 h GLU 15 Cb 0.37 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2yu0 h GLU 15 CO -0.02 0.02 -0.49 0.00 -1.00 0.00 0.00 179.01 177.53 2yu0 s ILE 17 N -5.93 2.91 0.30 0.00 -4.36 -0.47 -5.01 121.20 108.64 2yu0 s ILE 17 Ca -0.19 0.50 -0.16 0.00 -0.26 0.00 0.00 60.65 60.54 2yu0 s ILE 17 Cb 0.03 -3.11 -0.09 0.00 1.25 0.00 0.00 42.46 40.55 2yu0 s ILE 17 CO 0.61 -0.18 0.74 0.54 0.24 0.00 0.00 174.94 176.88 2yu0 s ASN 18 N -2.00 6.84 0.37 4.36 2.20 -1.26 -4.77 114.94 120.67 2yu0 s ASN 18 Ca 0.73 1.32 0.29 0.00 -0.94 0.00 0.00 52.86 54.26 2yu0 s ASN 18 Cb -0.25 -2.39 1.22 0.00 -2.00 0.00 0.00 41.25 37.83 2yu0 s ASN 18 CO 0.36 -0.16 1.22 0.29 -2.94 0.00 0.00 177.10 175.87 2yu0 n LYS 19 N -0.14 -0.02 0.05 3.55 4.76 -1.26 0.55 118.16 125.65 2yu0 n LYS 19 Ca 0.02 0.94 -0.13 0.00 -2.87 0.00 0.00 58.31 56.28 2yu0 n LYS 19 Cb 0.53 -1.94 -0.06 0.00 -1.84 0.00 0.00 35.03 31.71 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 -1.15 -0.02 2.13 2.76 -2.01 -0.76 115.15 116.10 2yu0 h HIS 20 Ca 0.70 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.89 2yu0 h HIS 20 Cb 2.43 0.51 0.00 0.00 1.55 0.00 0.00 27.41 31.90 2yu0 h HIS 20 CO -0.00 -0.48 -0.08 1.88 -1.30 0.00 0.00 177.93 177.94 2yu0 h TYR 21 N -0.55 0.12 -0.94 5.26 0.05 -0.26 -3.28 116.97 117.36 2yu0 h TYR 21 Ca 0.05 -0.05 0.24 0.00 0.05 0.00 0.00 58.73 59.02 2yu0 h TYR 21 Cb 0.64 -0.02 -0.17 0.00 1.01 0.00 0.00 36.73 38.19 2yu0 h TYR 21 CO -0.42 0.74 -0.00 0.35 -1.05 0.00 0.00 178.16 177.78 2yu0 h PHE 22 N -0.54 -0.10 -0.92 4.88 3.57 -1.25 0.72 116.94 123.30 2yu0 h PHE 22 Ca -0.01 0.07 0.22 0.00 3.53 0.00 0.00 57.97 61.78 2yu0 h PHE 22 Cb 0.75 0.19 -0.12 0.00 2.79 0.00 0.00 35.95 39.56 2yu0 h PHE 22 CO 0.15 -0.39 0.46 1.03 -2.23 0.00 0.00 178.31 177.34 2yu0 h SER 23 N 0.03 0.46 0.50 0.41 0.87 -1.19 -1.45 113.55 113.18 2yu0 h SER 23 Ca 0.55 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 61.22 2yu0 h SER 23 Cb 1.07 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.12 2yu0 h SER 23 CO -0.88 0.06 -0.24 -0.07 -0.53 0.00 0.00 176.83 175.17 2yu0 h LEU 24 N 0.48 -0.57 -0.87 2.23 4.07 0.32 -2.83 115.31 118.13 2yu0 h LEU 24 Ca 0.58 -0.05 0.22 0.00 0.08 0.00 0.00 57.88 58.70 2yu0 h LEU 24 Cb 1.06 0.15 -0.16 0.00 1.08 0.00 0.00 40.66 42.80 2yu0 h LEU 24 CO -0.49 -0.29 0.02 0.15 -1.08 0.00 0.00 178.44 176.74 2yu0 h PHE 25 N -0.84 -0.05 -0.42 1.13 3.57 -1.03 0.33 116.94 119.62 2yu0 h PHE 25 Ca -0.07 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2yu0 h PHE 25 Cb 0.59 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2yu0 h PHE 25 CO -0.01 -0.33 0.17 0.87 -2.23 0.00 0.00 178.31 176.79 2yu0 h LYS 26 N 0.07 0.34 -0.43 1.11 1.57 -1.31 0.64 116.57 118.55 2yu0 h LYS 26 Ca 0.50 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.38 2yu0 h LYS 26 Cb 0.95 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 2yu0 h LYS 26 CO -0.79 0.23 0.31 0.77 -0.57 0.00 0.00 179.45 179.39 2yu0 h SER 27 N 0.35 0.06 0.00 0.86 0.02 -0.13 1.00 113.55 115.71 2yu0 h SER 27 Ca 0.19 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2yu0 h SER 27 Cb 0.15 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2yu0 h SER 27 CO -0.18 0.03 -0.08 -0.07 -1.14 0.00 0.00 176.83 175.40 2yu0 h LEU 28 N 0.06 0.00 -1.67 5.07 3.38 -0.57 -3.32 115.31 118.27 2yu0 h LEU 28 Ca 0.21 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2yu0 h LEU 28 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2yu0 h LEU 28 CO -0.01 0.88 0.00 -0.07 0.09 0.00 0.00 178.44 179.32 2yu0 h LEU 29 N -1.00 0.00 -0.78 1.67 -0.00 -0.55 -3.26 115.31 111.39 2yu0 h LEU 29 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.88 57.99 2yu0 h LEU 29 Cb 0.72 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.25 2yu0 h LEU 29 CO -0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 178.44 178.15 2yu0 n ALA 30 N -2.04 -0.03 0.20 1.53 0.00 0.34 0.76 120.51 121.28 2yu0 n ALA 30 Ca 0.00 0.80 -0.15 0.00 0.00 0.00 0.00 53.44 54.08 2yu0 n ALA 30 Cb 0.24 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 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 -0.77 0.63 0.00 0.11 -1.80 2.04 114.38 114.59 2yu0 h ARG 31 Ca 0.30 0.05 -0.03 0.00 0.10 0.00 0.00 59.98 60.40 2yu0 h ARG 31 Cb 0.49 0.18 0.00 0.00 1.11 0.00 0.00 29.97 31.75 2yu0 h ARG 31 CO -0.78 -0.52 -0.33 -0.44 0.10 0.00 0.00 179.97 178.00 2yu0 h ASP 32 N -0.80 -0.80 0.00 0.08 3.32 -0.95 -2.24 116.42 115.03 2yu0 h ASP 32 Ca -0.04 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2yu0 h ASP 32 Cb 0.73 0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2yu0 h ASP 32 CO -0.12 -0.54 0.01 -0.07 -1.72 0.00 0.00 179.24 176.80 2yu0 h LEU 33 N -0.88 0.00 -0.01 1.55 3.38 0.33 -3.45 115.31 116.22 2yu0 h LEU 33 Ca -0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.58 2yu0 h LEU 33 Cb 0.69 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.51 2yu0 h LEU 33 CO 0.13 0.00 -0.48 -3.20 0.09 0.00 0.00 178.44 174.97 2yu0 n ASN 34 N -2.38 -5.17 -4.74 -0.43 5.15 0.65 -4.98 115.26 103.36 2yu0 n ASN 34 Ca -0.02 -0.30 -0.31 0.00 -0.60 0.00 0.00 54.58 53.35 2yu0 n ASN 34 Cb 0.05 -3.92 0.11 0.00 -0.53 0.00 0.00 39.78 35.50 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 -5.44 3.02 -0.44 1.20 1.43 0.11 -4.97 118.68 113.58 2yu0 s LEU 35 Ca 0.32 1.95 -0.24 0.00 -1.03 0.00 0.00 54.13 55.13 2yu0 s LEU 35 Cb -0.14 -4.54 0.02 0.00 0.03 0.00 0.00 46.19 41.56 2yu0 s LEU 35 CO 0.40 -2.29 0.84 -1.61 0.23 0.00 0.00 176.35 173.92 2yu0 s GLU 36 N -4.75 3.50 0.36 1.70 0.41 -1.26 -4.82 118.70 113.84 2yu0 s GLU 36 Ca 0.63 0.06 0.30 0.00 -0.41 0.00 0.00 54.97 55.56 2yu0 s GLU 36 Cb -0.19 -3.92 1.17 0.00 -1.78 0.00 0.00 34.13 29.41 2yu0 s GLU 36 CO 0.55 -1.13 1.12 2.89 -0.49 0.00 0.00 175.26 178.21 2yu0 n ARG 37 N 6.86 -0.01 -0.09 1.61 0.00 -1.26 -0.32 116.66 123.45 2yu0 n ARG 37 Ca 0.04 0.83 -0.12 0.00 -0.00 0.00 0.00 57.85 58.61 2yu0 n ARG 37 Cb 0.48 -1.79 -0.05 0.00 -0.00 0.00 0.00 32.46 31.11 2yu0 n ARG 37 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2yu0 n ASP 38 N -3.72 1.86 -1.93 2.89 -0.08 -1.26 -4.41 116.55 109.90 2yu0 n ASP 38 Ca 0.31 0.49 -0.11 0.00 -1.51 0.00 0.00 54.79 53.97 2yu0 n ASP 38 Cb 1.31 -0.85 -0.11 0.00 2.34 0.00 0.00 41.12 43.80 2yu0 n ASP 38 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2yu0 n ASN 39 N -4.51 5.42 -0.07 1.67 5.03 0.56 -4.25 115.26 119.12 2yu0 n ASN 39 Ca -0.18 -2.55 -0.20 0.00 0.87 0.00 0.00 54.58 52.52 2yu0 n ASN 39 Cb 0.47 -1.33 -0.12 0.00 -1.02 0.00 0.00 39.78 37.78 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2yu0 h GLN 40 N 2.50 0.06 -0.35 3.52 4.20 -1.26 -3.37 115.11 120.40 2yu0 h GLN 40 Ca 0.17 -0.10 -0.16 0.00 0.06 0.00 0.00 58.65 58.62 2yu0 h GLN 40 Cb 1.31 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 2yu0 h GLN 40 CO 0.26 1.05 -0.42 1.05 -0.67 0.00 0.00 178.83 180.10 2yu0 h GLU 41 N -0.83 0.89 -0.29 1.46 4.11 -1.87 -2.96 114.58 115.09 2yu0 h GLU 41 Ca -0.26 -0.48 0.08 0.00 0.07 0.00 0.00 59.36 58.77 2yu0 h GLU 41 Cb 1.35 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2yu0 h GLU 41 CO -0.10 1.13 0.81 -0.56 0.07 0.00 0.00 179.01 180.36 2yu0 h GLN 42 N 0.72 0.00 -7.37 1.06 3.07 -1.85 -3.40 115.11 107.34 2yu0 h GLN 42 Ca 0.05 0.00 -0.49 0.00 0.09 0.00 0.00 58.65 58.30 2yu0 h GLN 42 Cb 1.00 0.00 0.13 0.00 0.08 0.00 0.00 27.48 28.69 2yu0 h GLN 42 CO 0.10 0.00 0.30 0.71 0.09 0.00 0.00 178.83 180.03 2yu0 s TYR 43 N -4.20 2.60 0.06 0.06 2.02 -1.12 -5.07 117.35 111.70 2yu0 s TYR 43 Ca -0.02 1.22 0.09 0.00 -0.37 0.00 0.00 57.07 57.99 2yu0 s TYR 43 Cb 0.07 -3.13 -0.03 0.00 -0.40 0.00 0.00 41.96 38.47 2yu0 s TYR 43 CO 0.25 -2.03 -0.24 0.95 -1.57 0.00 0.00 175.55 172.91 2yu0 s THR 44 N -3.04 1.94 0.36 -0.71 -4.23 -1.26 -5.00 115.64 103.70 2yu0 s THR 44 Ca 0.62 -1.38 0.28 0.00 -1.18 0.00 0.00 61.69 60.03 2yu0 s THR 44 Cb -0.16 -1.69 0.42 0.00 1.34 0.00 0.00 72.50 72.42 2yu0 s THR 44 CO 0.55 0.24 1.22 0.35 -0.54 0.00 0.00 174.62 176.44 2yu0 n THR 45 N 1.63 -0.17 0.00 3.99 -2.24 -1.26 -0.79 114.28 115.45 2yu0 n THR 45 Ca -0.17 1.37 -0.00 0.00 -2.27 0.00 0.00 64.05 62.98 2yu0 n THR 45 Cb 0.53 -2.25 -0.00 0.00 -2.10 0.00 0.00 70.33 66.50 2yu0 n THR 45 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2yu0 h ILE 46 N 0.00 0.00 -0.99 2.28 5.03 -1.98 -0.56 117.51 121.29 2yu0 h ILE 46 Ca 0.70 -0.00 0.34 0.00 -0.12 0.00 0.00 64.86 65.78 2yu0 h ILE 46 Cb 2.35 0.00 -0.16 0.00 -3.03 0.00 0.00 36.82 35.98 2yu0 h ILE 46 CO -0.31 0.00 0.50 1.56 -0.68 0.00 0.00 178.15 179.22 2yu0 h GLN 47 N -0.00 0.20 -0.42 2.37 4.20 -1.37 0.79 115.11 120.88 2yu0 h GLN 47 Ca -0.00 -0.01 -0.15 0.00 0.06 0.00 0.00 58.65 58.55 2yu0 h GLN 47 Cb 0.00 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2yu0 h GLN 47 CO 0.00 0.13 -0.31 0.82 -0.67 0.00 0.00 178.83 178.80 2yu0 h ILE 48 N 0.21 1.27 0.48 2.54 1.08 -1.21 -2.87 117.51 119.01 2yu0 h ILE 48 Ca 0.74 -1.49 -0.02 0.00 -0.39 0.00 0.00 64.86 63.70 2yu0 h ILE 48 Cb 1.76 1.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 2yu0 h ILE 48 CO -0.67 0.50 -0.23 0.00 -0.69 0.00 0.00 178.15 177.06 2yu0 h ALA 49 N 0.83 -0.65 -0.58 1.87 0.00 0.21 -2.84 119.26 118.10 2yu0 h ALA 49 Ca 0.08 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.89 2yu0 h ALA 49 Cb 0.90 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 2yu0 h ALA 49 CO 0.08 -0.69 -0.44 -0.91 0.00 0.00 0.00 179.25 177.30 2yu0 h ASN 50 N -1.00 -1.51 -0.93 0.00 2.35 -0.82 0.57 115.58 114.25 2yu0 h ASN 50 Ca -0.07 0.25 0.21 0.00 -0.55 0.00 0.00 56.30 56.14 2yu0 h ASN 50 Cb 0.59 0.69 -0.07 0.00 0.05 0.00 0.00 38.32 39.58 2yu0 h ASN 50 CO 0.11 -0.34 0.61 0.24 -1.65 0.00 0.00 177.43 176.41 2yu0 h MET 51 N -0.23 0.40 -0.01 0.81 2.86 -1.57 0.97 114.93 118.16 2yu0 h MET 51 Ca 0.18 -0.02 -0.24 0.00 -2.06 0.00 0.00 59.70 57.56 2yu0 h MET 51 Cb 0.56 -0.09 0.01 0.00 0.06 0.00 0.00 31.60 32.14 2yu0 h MET 51 CO -0.69 0.27 -0.96 0.52 1.06 0.00 0.00 176.91 177.10 2yu0 h MET 52 N 0.41 0.53 -0.73 1.72 2.86 0.18 -1.21 114.93 118.68 2yu0 h MET 52 Ca 0.49 -0.56 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 2yu0 h MET 52 Cb 1.22 0.15 -0.05 0.00 0.06 0.00 0.00 31.60 32.99 2yu0 h MET 52 CO -0.20 1.19 0.48 0.93 1.06 0.00 0.00 176.91 180.37 2yu0 h GLU 53 N 0.31 0.74 0.07 1.72 4.39 0.22 -1.19 114.58 120.83 2yu0 h GLU 53 Ca -0.09 -0.04 -0.22 0.00 0.34 0.00 0.00 59.36 59.35 2yu0 h GLU 53 Cb 1.60 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 30.07 2yu0 h GLU 53 CO 0.18 0.49 -1.11 0.93 -1.16 0.00 0.00 179.01 178.34 2yu0 h GLU 54 N 0.76 0.16 -0.17 2.33 5.08 -1.43 -3.33 114.58 117.99 2yu0 h GLU 54 Ca 0.32 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2yu0 h GLU 54 Cb 0.27 0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 2yu0 h GLU 54 CO -0.11 1.13 -0.41 0.87 -1.00 0.00 0.00 179.01 179.49 2yu0 h LYS 55 N -0.57 -0.44 -3.38 2.33 1.79 -1.00 -3.26 116.57 112.04 2yu0 h LYS 55 Ca -0.25 0.03 -0.70 0.00 -2.18 0.00 0.00 60.65 57.55 2yu0 h LYS 55 Cb 1.53 0.10 -0.36 0.00 -1.58 0.00 0.00 32.23 31.92 2yu0 h LYS 55 CO -0.00 -0.30 -0.20 -0.06 -1.08 0.00 0.00 179.45 177.81 2yu0 s PHE 56 N -5.89 3.73 -2.00 -1.35 0.08 -0.47 -4.89 117.98 107.18 2yu0 s PHE 56 Ca -0.15 -2.94 0.13 0.00 0.12 0.00 0.00 56.93 54.08 2yu0 s PHE 56 Cb 0.10 -3.20 0.76 0.00 -0.57 0.00 0.00 43.02 40.10 2yu0 s PHE 56 CO 0.65 -0.76 1.18 -0.35 -0.10 0.00 0.00 175.22 175.84 2yu0 n PRO 57 N 2.67 0.49 -0.08 0.24 -0.04 -1.23 0.10 135.00 137.14 2yu0 n PRO 57 Ca 0.17 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.51 2yu0 n PRO 57 Cb 0.37 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 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 2.79 0.11 0.00 0.55 0.00 -1.90 -3.42 119.26 117.40 2yu0 h ALA 58 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.11 2yu0 h ALA 58 Cb 0.00 0.59 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2yu0 h ALA 58 CO 0.00 0.57 -0.82 -0.25 0.00 0.00 0.00 179.25 178.75 2yu0 n ASP 59 N -4.54 1.03 -2.40 0.00 8.00 -1.19 -4.99 116.55 112.46 2yu0 n ASP 59 Ca -0.18 -0.55 -0.20 0.00 0.71 0.00 0.00 54.79 54.57 2yu0 n ASP 59 Cb 0.44 1.15 -0.00 0.00 -0.02 0.00 0.00 41.12 42.69 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2yu0 n SER 60 N -1.45 -5.75 0.00 -2.24 7.64 0.29 -1.06 113.62 111.04 2yu0 n SER 60 Ca 0.01 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2yu0 n SER 60 Cb 0.21 -4.74 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 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 -1.12 1.82 0.20 0.23 0.00 -1.26 -4.33 105.19 100.73 2yu0 n GLY 61 Ca -0.21 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 0.10 0.27 0.99 5.85 -1.44 -0.16 115.31 120.92 2yu0 h LEU 62 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 2yu0 h LEU 62 Cb 0.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2yu0 h LEU 62 CO 0.00 0.08 -0.13 1.23 -0.34 0.00 0.00 178.44 179.28 2yu0 h GLY 63 N 0.29 -0.38 -0.04 3.75 0.00 -1.91 -1.46 103.07 103.32 2yu0 h GLY 63 Ca 0.24 0.14 0.25 0.00 0.00 0.00 0.00 47.33 47.96 2yu0 h GLY 63 CO -0.27 -0.14 0.66 1.70 0.00 0.00 0.00 176.54 178.48 2yu0 h LYS 64 N -0.83 0.39 -0.01 4.80 1.63 -1.91 -0.73 116.57 119.90 2yu0 h LYS 64 Ca -0.04 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 2yu0 h LYS 64 Cb 0.51 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2yu0 h LYS 64 CO 0.06 0.26 -0.07 1.25 -3.45 0.00 0.00 179.45 177.50 2yu0 h LEU 65 N 0.40 0.08 -0.53 5.20 7.12 -0.99 -3.11 115.31 123.47 2yu0 h LEU 65 Ca 0.56 -0.69 0.11 0.00 0.13 0.00 0.00 57.88 57.99 2yu0 h LEU 65 Cb 1.44 -0.02 -0.11 0.00 -0.53 0.00 0.00 40.66 41.44 2yu0 h LEU 65 CO -0.26 0.75 -0.21 0.40 -0.13 0.00 0.00 178.44 179.00 2yu0 h ILE 66 N -0.59 0.35 -0.81 4.05 2.04 -0.04 0.42 117.51 122.93 2yu0 h ILE 66 Ca -0.01 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.94 2yu0 h ILE 66 Cb 0.75 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.12 2yu0 h ILE 66 CO 0.01 0.00 0.47 -0.33 0.00 0.00 0.00 178.15 178.30 2yu0 h GLU 67 N -0.08 0.77 -0.50 2.37 5.08 -1.43 -0.31 114.58 120.48 2yu0 h GLU 67 Ca 0.25 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2yu0 h GLU 67 Cb 0.47 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2yu0 h GLU 67 CO -0.59 0.51 0.34 0.35 -1.00 0.00 0.00 179.01 178.62 2yu0 h PHE 68 N 0.79 0.44 -0.08 4.33 3.57 -0.86 -1.47 116.94 123.66 2yu0 h PHE 68 Ca 0.39 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.68 2yu0 h PHE 68 Cb 0.33 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 38.93 2yu0 h PHE 68 CO -0.06 0.24 -0.82 0.00 -2.23 0.00 0.00 178.31 175.44 2yu0 h GLU 70 N 0.38 0.13 -0.90 0.00 5.08 -0.53 -1.31 114.58 117.44 2yu0 h GLU 70 Ca -0.06 -0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.55 2yu0 h GLU 70 Cb 1.44 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.62 2yu0 h GLU 70 CO 0.15 0.09 0.77 1.05 -1.00 0.00 0.00 179.01 180.07 2yu0 h GLU 71 N 0.14 0.00 -5.30 2.33 -0.00 -1.51 -3.38 114.58 106.85 2yu0 h GLU 71 Ca 0.07 0.00 -0.61 0.00 -0.00 0.00 0.00 59.36 58.82 2yu0 h GLU 71 Cb 0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 28.75 28.65 2yu0 h GLU 71 CO -0.08 0.00 -0.54 0.08 -0.00 0.00 0.00 179.01 178.47 2yu0 s VAL 72 N -4.76 4.95 0.13 -1.06 1.01 -0.57 -4.98 120.40 115.12 2yu0 s VAL 72 Ca -0.04 0.02 0.34 0.00 0.00 0.00 0.00 61.98 62.30 2yu0 s VAL 72 Cb 0.19 -3.23 0.39 0.00 0.00 0.00 0.00 36.38 33.73 2yu0 s VAL 72 CO 0.67 0.46 2.00 1.55 0.00 0.00 0.00 175.10 179.78 2yu0 h PRO 73 N 6.59 0.00 -0.02 2.72 0.13 -1.79 0.16 132.00 139.80 2yu0 h PRO 73 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.71 0.01 -0.04 0.00 -0.23 0.00 0.00 178.00 178.45 2yu0 n ALA 74 N -2.10 2.62 0.00 -0.56 0.00 -1.26 -4.10 120.51 115.12 2yu0 n ALA 74 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2yu0 n ALA 74 Cb 0.30 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 0.39 0.00 -0.31 0.00 4.77 -0.89 -4.76 117.00 116.21 2yu0 n LEU 75 Ca 0.17 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.21 2yu0 n LEU 75 Cb 0.42 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.67 2yu0 n LEU 75 CO 0.17 0.00 0.74 0.03 -1.33 0.00 0.00 177.39 177.00 2yu0 h ARG 76 N 0.00 0.02 -0.95 3.23 3.08 0.08 0.87 114.38 120.72 2yu0 h ARG 76 Ca 0.00 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.21 2yu0 h ARG 76 Cb 0.29 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.25 2yu0 h ARG 76 CO 0.00 0.02 0.60 -0.22 -1.07 0.00 0.00 179.97 179.30 2yu0 h LYS 77 N 0.02 0.71 -0.24 0.04 3.11 -1.86 -0.79 116.57 117.57 2yu0 h LYS 77 Ca 0.46 -0.04 -0.15 0.00 -2.81 0.00 0.00 60.65 58.10 2yu0 h LYS 77 Cb 0.79 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 2yu0 h LYS 77 CO -0.86 0.47 -0.44 -0.09 -2.81 0.00 0.00 179.45 175.72 2yu0 h ARG 78 N 0.73 0.73 0.10 1.90 9.65 0.40 -3.04 114.38 124.83 2yu0 h ARG 78 Ca 0.50 -0.46 0.02 0.00 -1.10 0.00 0.00 59.98 58.94 2yu0 h ARG 78 Cb 0.79 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.40 2yu0 h ARG 78 CO -0.26 1.08 -0.23 0.00 2.80 0.00 0.00 179.97 183.36 2yu0 h ALA 79 N 0.64 -0.38 -0.69 2.80 0.00 0.12 -0.98 119.26 120.77 2yu0 h ALA 79 Ca 0.01 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.03 2yu0 h ALA 79 Cb 1.05 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2yu0 h ALA 79 CO 0.10 -0.76 0.46 1.05 0.00 0.00 0.00 179.25 180.10 2yu0 h GLU 80 N -0.42 0.35 -0.19 0.00 4.11 -1.40 0.38 114.58 117.42 2yu0 h GLU 80 Ca 0.03 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.30 2yu0 h GLU 80 Cb 0.45 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2yu0 h GLU 80 CO -0.15 0.23 -0.50 0.82 0.07 0.00 0.00 179.01 179.49 2yu0 h ILE 81 N 0.36 1.32 -0.32 -1.06 2.04 -1.17 -3.04 117.51 115.64 2yu0 h ILE 81 Ca 0.33 -1.73 -0.17 0.00 1.00 0.00 0.00 64.86 64.29 2yu0 h ILE 81 Cb 0.79 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2yu0 h ILE 81 CO -0.09 0.54 -0.47 -0.07 0.00 0.00 0.00 178.15 178.05 2yu0 h LEU 82 N 0.40 0.94 -0.37 1.44 3.38 0.30 -3.21 115.31 118.19 2yu0 h LEU 82 Ca 0.02 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.56 2yu0 h LEU 82 Cb 1.02 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2yu0 h LEU 82 CO 0.09 1.26 0.13 0.11 0.09 0.00 0.00 178.44 180.11 2yu0 h LYS 83 N 0.68 0.27 -0.79 1.13 1.57 -1.21 -2.21 116.57 116.01 2yu0 h LYS 83 Ca 0.04 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 2yu0 h LYS 83 Cb 1.06 -0.06 -0.15 0.00 0.08 0.00 0.00 32.23 33.17 2yu0 h LYS 83 CO 0.11 0.18 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.70 2yu0 h LYS 84 N 0.28 -0.03 -0.47 3.15 3.11 -1.53 0.18 116.57 121.26 2yu0 h LYS 84 Ca 0.17 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.97 2yu0 h LYS 84 Cb 0.15 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.36 2yu0 h LYS 84 CO -0.17 -0.02 0.16 0.93 -2.81 0.00 0.00 179.45 177.54 2yu0 h GLU 85 N -0.03 0.73 -0.99 1.90 5.08 -1.55 -2.82 114.58 116.90 2yu0 h GLU 85 Ca 0.36 -0.15 0.32 0.00 -1.00 0.00 0.00 59.36 58.89 2yu0 h GLU 85 Cb 0.58 -0.11 -0.15 0.00 0.50 0.00 0.00 28.75 29.57 2yu0 h GLU 85 CO -0.82 0.68 0.54 -0.09 -1.00 0.00 0.00 179.01 178.32 2yu0 h ARG 86 N 0.63 0.28 -5.79 2.33 2.43 -0.07 -3.38 114.38 110.80 2yu0 h ARG 86 Ca 0.15 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.64 2yu0 h ARG 86 Cb 0.25 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 29.64 2yu0 h ARG 86 CO -0.01 0.18 -0.53 -1.54 -1.51 0.00 0.00 179.97 176.57 2yu0 s SER 87 N -4.88 5.99 -0.08 -3.80 1.04 -0.96 -5.02 113.70 105.99 2yu0 s SER 87 Ca -0.10 0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.57 2yu0 s SER 87 Cb 0.30 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.53 2yu0 s SER 87 CO 0.79 0.37 -0.18 -0.62 0.98 0.00 0.00 173.24 174.57 2yu0 n GLU 88 N 1.80 0.28 -0.04 4.02 -0.58 -1.26 -4.80 120.64 120.06 2yu0 n GLU 88 Ca -0.18 0.12 -0.14 0.00 -0.42 0.00 0.00 57.16 56.54 2yu0 n GLU 88 Cb 0.54 -0.99 -0.12 0.00 -0.57 0.00 0.00 31.44 30.31 2yu0 n GLU 88 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2yu0 h SER 89 N -0.51 0.02 -3.95 1.62 0.02 -1.96 -3.50 113.55 105.28 2yu0 h SER 89 Ca -0.14 -0.77 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2yu0 h SER 89 Cb 0.83 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.36 2yu0 h SER 89 CO -0.09 0.79 -0.82 0.61 -1.14 0.00 0.00 176.83 176.18 2yu0 n GLY 90 N 0.99 -4.11 0.00 -3.77 0.00 -1.26 -4.51 105.19 92.52 2yu0 n GLY 90 Ca -0.09 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.86 0.27 0.00 1.61 -0.04 -1.26 -4.16 135.00 129.55 2yu0 n PRO 91 Ca 0.00 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2yu0 n PRO 91 Cb 0.26 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.23 0.00 -3.71 3.54 7.64 -1.26 -4.68 113.62 113.92 2yu0 n SER 92 Ca 0.08 0.68 -0.14 0.00 1.01 0.00 0.00 58.87 60.50 2yu0 n SER 92 Cb 0.10 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.88 -0.44 0.00 6.43 0.01 -1.26 -5.29 113.70 110.26 2yu0 s SER 93 Ca 0.00 0.76 0.04 0.00 1.31 0.00 0.00 55.95 58.05 2yu0 s SER 93 Cb 0.00 0.79 0.03 0.00 0.21 0.00 0.00 66.02 67.05 2yu0 s SER 93 CO 0.00 -0.25 0.61 0.61 0.41 0.00 0.00 173.24 174.62