#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 1.00 1.02 1.61 1.04 -1.26 -5.15 113.70 111.96 2yu0 s SER 2 Ca 0.00 -1.55 -0.19 0.00 0.48 0.00 0.00 55.95 54.69 2yu0 s SER 2 Cb 0.00 0.55 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 2yu0 s SER 2 CO 0.00 -1.08 -0.50 -1.54 0.98 0.00 0.00 173.24 171.10 2yu0 n SER 3 N -1.14 -3.35 0.00 7.02 3.41 -1.26 -4.65 113.62 113.65 2yu0 n SER 3 Ca 0.04 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2yu0 n SER 3 Cb 0.63 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 2yu0 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yu0 n GLY 4 N 2.63 0.78 3.08 5.00 0.00 -1.26 -4.82 105.19 110.60 2yu0 n GLY 4 Ca 0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.00 -0.23 -0.32 1.61 0.01 -1.26 -5.06 113.70 104.46 2yu0 s SER 5 Ca 0.00 0.44 0.13 0.00 1.31 0.00 0.00 55.95 57.83 2yu0 s SER 5 Cb 0.00 0.42 0.47 0.00 0.21 0.00 0.00 66.02 67.11 2yu0 s SER 5 CO 0.00 -0.10 1.12 -1.54 0.41 0.00 0.00 173.24 173.13 2yu0 n SER 6 N 3.30 3.46 -3.18 2.44 3.41 -1.26 -4.90 113.62 116.88 2yu0 n SER 6 Ca -0.16 -3.12 -0.34 0.00 -0.26 0.00 0.00 58.87 54.99 2yu0 n SER 6 Cb 0.57 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.54 5.86 3.74 5.00 0.00 -1.26 -5.02 105.19 112.97 2yu0 n GLY 7 Ca 0.28 -2.68 -0.36 0.00 0.00 0.00 0.00 46.02 43.26 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 -4.56 4.94 0.07 -0.61 1.09 -1.26 -4.92 121.20 115.95 2yu0 s ILE 8 Ca 0.45 0.00 -0.27 0.00 -1.10 0.00 0.00 60.65 59.74 2yu0 s ILE 8 Cb 0.27 -3.16 0.09 0.00 -1.06 0.00 0.00 42.46 38.59 2yu0 s ILE 8 CO -0.16 0.56 0.82 0.54 -0.10 0.00 0.00 174.94 176.60 2yu0 s VAL 9 N -0.49 0.00 0.44 2.92 0.11 -1.26 -5.00 120.40 117.12 2yu0 s VAL 9 Ca 0.10 -0.14 0.26 0.00 -2.93 0.00 0.00 61.98 59.27 2yu0 s VAL 9 Cb -0.12 -1.19 0.46 0.00 -1.53 0.00 0.00 36.38 34.00 2yu0 s VAL 9 CO 0.02 0.00 1.75 -0.07 -3.33 0.00 0.00 175.10 173.46 2yu0 h LEU 10 N 2.00 0.29 -0.31 2.54 4.07 -2.01 0.25 115.31 122.14 2yu0 h LEU 10 Ca -0.25 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 2yu0 h LEU 10 Cb 1.26 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 2yu0 h LEU 10 CO 0.31 0.01 0.14 0.25 -1.08 0.00 0.00 178.44 178.07 2yu0 h LEU 11 N 0.23 0.41 -1.08 1.67 7.12 -1.95 -2.42 115.31 119.29 2yu0 h LEU 11 Ca 0.64 -0.14 0.28 0.00 0.13 0.00 0.00 57.88 58.79 2yu0 h LEU 11 Cb 1.95 -0.11 -0.04 0.00 -0.53 0.00 0.00 40.66 41.94 2yu0 h LEU 11 CO -0.24 0.43 1.16 -0.09 -0.13 0.00 0.00 178.44 179.57 2yu0 h ARG 12 N 0.36 0.00 -0.52 1.25 2.43 -0.85 0.11 114.38 117.16 2yu0 h ARG 12 Ca 0.10 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.42 2yu0 h ARG 12 Cb 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2yu0 h ARG 12 CO -0.01 0.00 0.98 0.78 -1.51 0.00 0.00 179.97 180.20 2yu0 h GLY 13 N 0.00 0.00 0.41 2.80 0.00 -1.51 0.69 103.07 105.46 2yu0 h GLY 13 Ca 0.45 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.55 2yu0 h GLY 13 CO -0.00 0.00 -1.19 1.41 0.00 0.00 0.00 176.54 176.75 2yu0 h LEU 14 N 0.00 0.28 -0.82 3.11 3.38 -1.23 -3.37 115.31 116.66 2yu0 h LEU 14 Ca 0.25 -0.82 -0.10 0.00 0.09 0.00 0.00 57.88 57.29 2yu0 h LEU 14 Cb 2.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.84 2yu0 h LEU 14 CO -0.00 1.51 -0.20 -0.33 0.09 0.00 0.00 178.44 179.51 2yu0 h GLU 15 N -0.50 0.66 -0.54 1.13 4.39 0.04 -3.22 114.58 116.55 2yu0 h GLU 15 Ca -0.27 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.25 2yu0 h GLU 15 Cb 1.59 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 30.11 2yu0 h GLU 15 CO 0.01 0.82 -0.54 0.00 -1.16 0.00 0.00 179.01 178.14 2yu0 s ILE 17 N -5.66 2.37 0.22 0.00 -4.36 -1.22 -4.96 121.20 107.60 2yu0 s ILE 17 Ca -0.14 0.22 -0.30 0.00 -0.26 0.00 0.00 60.65 60.18 2yu0 s ILE 17 Cb 0.10 -3.06 -0.09 0.00 1.25 0.00 0.00 42.46 40.66 2yu0 s ILE 17 CO 0.62 -0.05 1.22 0.20 0.24 0.00 0.00 174.94 177.17 2yu0 s ASN 18 N -1.56 7.04 0.25 4.36 0.01 -1.26 -4.76 114.94 119.01 2yu0 s ASN 18 Ca 0.79 2.33 0.10 0.00 -0.71 0.00 0.00 52.86 55.38 2yu0 s ASN 18 Cb -0.33 -2.62 0.82 0.00 0.41 0.00 0.00 41.25 39.54 2yu0 s ASN 18 CO 0.37 -0.39 1.13 0.29 -1.51 0.00 0.00 177.10 176.99 2yu0 n LYS 19 N 2.11 -0.05 -0.21 -0.60 4.76 -1.26 0.15 118.16 123.07 2yu0 n LYS 19 Ca 0.03 1.02 -0.00 0.00 -2.87 0.00 0.00 58.31 56.48 2yu0 n LYS 19 Cb 0.44 -1.75 0.07 0.00 -1.84 0.00 0.00 35.03 31.95 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 -0.25 -0.14 2.13 2.76 -2.02 -1.50 115.15 116.12 2yu0 h HIS 20 Ca 0.55 0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.68 2yu0 h HIS 20 Cb 1.37 0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.54 2yu0 h HIS 20 CO -0.13 -0.24 -0.28 1.88 -1.30 0.00 0.00 177.93 177.86 2yu0 h TYR 21 N 0.03 0.56 -0.97 5.26 0.05 0.11 -3.21 116.97 118.79 2yu0 h TYR 21 Ca 0.30 -0.20 0.32 0.00 0.05 0.00 0.00 58.73 59.20 2yu0 h TYR 21 Cb 0.48 -0.10 -0.17 0.00 1.01 0.00 0.00 36.73 37.94 2yu0 h TYR 21 CO -0.47 0.90 0.29 0.35 -1.05 0.00 0.00 178.16 178.19 2yu0 h PHE 22 N 0.05 0.42 -0.98 4.88 3.57 -0.73 1.03 116.94 125.18 2yu0 h PHE 22 Ca 0.01 0.05 0.13 0.00 3.53 0.00 0.00 57.97 61.69 2yu0 h PHE 22 Cb 0.87 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.50 2yu0 h PHE 22 CO 0.10 -0.38 0.62 1.03 -2.23 0.00 0.00 178.31 177.45 2yu0 h SER 23 N 0.08 0.86 -0.34 0.41 0.87 -1.40 -1.27 113.55 112.74 2yu0 h SER 23 Ca 0.69 0.05 -0.06 0.00 -1.23 0.00 0.00 61.79 61.24 2yu0 h SER 23 Cb 1.59 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.42 2yu0 h SER 23 CO -0.79 0.43 -0.03 -0.07 -0.53 0.00 0.00 176.83 175.85 2yu0 h LEU 24 N 0.91 0.62 -0.78 2.23 4.07 0.96 -3.03 115.31 120.28 2yu0 h LEU 24 Ca 0.50 -0.33 0.09 0.00 0.08 0.00 0.00 57.88 58.22 2yu0 h LEU 24 Cb 0.59 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 42.09 2yu0 h LEU 24 CO -0.27 0.80 0.44 0.15 -1.08 0.00 0.00 178.44 178.48 2yu0 h PHE 25 N 0.43 0.79 0.00 1.13 3.57 -0.87 0.97 116.94 122.95 2yu0 h PHE 25 Ca 0.09 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2yu0 h PHE 25 Cb 0.50 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2yu0 h PHE 25 CO 0.04 0.33 -0.03 0.87 -2.23 0.00 0.00 178.31 177.29 2yu0 h LYS 26 N 0.75 0.00 -0.01 1.11 1.57 -1.28 -2.42 116.57 116.29 2yu0 h LYS 26 Ca 0.37 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 2yu0 h LYS 26 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 2yu0 h LYS 26 CO -0.24 0.03 -0.09 1.03 -0.57 0.00 0.00 179.45 179.61 2yu0 h SER 27 N 0.00 0.09 0.05 0.86 0.87 -0.74 0.27 113.55 114.95 2yu0 h SER 27 Ca -0.00 -0.73 -0.00 0.00 -1.23 0.00 0.00 61.79 59.83 2yu0 h SER 27 Cb 0.07 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 2yu0 h SER 27 CO 0.00 0.81 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.02 2yu0 h LEU 28 N -0.62 0.00 0.00 2.23 3.38 -1.05 -1.32 115.31 117.93 2yu0 h LEU 28 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2yu0 h LEU 28 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2yu0 h LEU 28 CO 0.02 0.02 -1.75 0.18 0.09 0.00 0.00 178.44 177.00 2yu0 n LEU 29 N -3.80 0.22 -0.37 1.67 7.99 -0.95 -4.40 117.00 117.36 2yu0 n LEU 29 Ca -0.03 0.01 0.33 0.00 -0.01 0.00 0.00 56.01 56.31 2yu0 n LEU 29 Cb 0.10 -0.01 0.59 0.00 -0.11 0.00 0.00 43.42 43.99 2yu0 n LEU 29 CO 0.28 -0.01 1.05 0.00 -1.51 0.00 0.00 177.39 177.20 2yu0 n ALA 30 N -2.17 1.11 -0.03 -1.18 0.00 0.94 0.95 120.51 120.13 2yu0 n ALA 30 Ca -0.03 0.86 -0.14 0.00 0.00 0.00 0.00 53.44 54.14 2yu0 n ALA 30 Cb 0.54 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.93 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 0.09 0.48 0.00 -0.00 -1.77 0.20 114.38 113.38 2yu0 h ARG 31 Ca 0.80 -0.07 -0.02 0.00 -0.00 0.00 0.00 59.98 60.69 2yu0 h ARG 31 Cb 2.36 0.01 0.00 0.00 -0.00 0.00 0.00 29.97 32.34 2yu0 h ARG 31 CO -0.56 0.69 -0.23 -0.44 -0.00 0.00 0.00 179.97 179.43 2yu0 h ASP 32 N -0.49 -0.54 0.43 0.08 5.19 0.33 -3.07 116.42 118.34 2yu0 h ASP 32 Ca -0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2yu0 h ASP 32 Cb 0.70 0.14 0.00 0.00 0.18 0.00 0.00 39.33 40.35 2yu0 h ASP 32 CO 0.02 -0.27 0.00 0.18 -3.12 0.00 0.00 179.24 176.04 2yu0 n LEU 33 N -4.36 0.15 -3.49 1.55 4.77 0.14 -4.87 117.00 110.87 2yu0 n LEU 33 Ca -0.08 0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 56.26 2yu0 n LEU 33 Cb 0.25 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 2yu0 n LEU 33 CO 0.19 -0.39 0.10 0.59 -1.33 0.00 0.00 177.39 176.56 2yu0 n ASN 34 N -1.67 -2.51 -4.81 -1.43 3.02 0.42 -4.98 115.26 103.29 2yu0 n ASN 34 Ca 0.02 -0.64 -0.30 0.00 -0.03 0.00 0.00 54.58 53.63 2yu0 n ASN 34 Cb 0.15 -4.96 0.08 0.00 -0.61 0.00 0.00 39.78 34.44 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 -6.53 2.68 -0.69 3.41 1.43 0.36 -4.99 118.68 114.35 2yu0 s LEU 35 Ca 0.08 1.31 -0.21 0.00 -1.03 0.00 0.00 54.13 54.29 2yu0 s LEU 35 Cb -0.04 -3.97 0.09 0.00 0.03 0.00 0.00 46.19 42.29 2yu0 s LEU 35 CO 0.74 -1.85 0.95 -1.61 0.23 0.00 0.00 176.35 174.81 2yu0 s GLU 36 N -5.17 3.18 0.62 1.70 2.02 -1.26 -4.87 118.70 114.91 2yu0 s GLU 36 Ca 0.60 -1.07 0.23 0.00 0.02 0.00 0.00 54.97 54.76 2yu0 s GLU 36 Cb -0.14 -4.35 0.85 0.00 0.10 0.00 0.00 34.13 30.59 2yu0 s GLU 36 CO 0.54 -1.76 1.32 0.07 0.02 0.00 0.00 175.26 175.44 2yu0 h ARG 37 N 9.39 0.00 0.02 1.61 0.11 -1.94 1.84 114.38 125.41 2yu0 h ARG 37 Ca -0.22 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.52 2yu0 h ARG 37 Cb 1.07 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 32.09 2yu0 h ARG 37 CO 1.16 0.00 -2.12 -3.47 0.10 0.00 0.00 179.97 175.64 2yu0 n ASP 38 N -3.17 0.99 -2.49 0.08 2.03 -1.26 -4.41 116.55 108.32 2yu0 n ASP 38 Ca 0.18 0.15 -0.31 0.00 0.52 0.00 0.00 54.79 55.33 2yu0 n ASP 38 Cb 1.37 0.09 0.02 0.00 -0.72 0.00 0.00 41.12 41.89 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 -3.06 5.83 0.01 1.67 4.05 0.60 -4.66 115.26 119.70 2yu0 n ASN 39 Ca -0.30 -3.76 0.13 0.00 0.45 0.00 0.00 54.58 51.10 2yu0 n ASN 39 Cb 1.08 -0.66 0.41 0.00 1.23 0.00 0.00 39.78 41.84 2yu0 n ASN 39 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2yu0 n GLN 40 N -0.59 0.04 -0.03 1.20 6.02 0.52 -3.92 117.38 120.61 2yu0 n GLN 40 Ca 0.47 0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 57.33 2yu0 n GLN 40 Cb 0.61 -1.53 -0.11 0.00 1.02 0.00 0.00 30.24 30.22 2yu0 n GLN 40 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2yu0 h GLU 41 N 0.00 0.10 -1.21 -1.09 4.11 -1.86 -3.24 114.58 111.39 2yu0 h GLU 41 Ca 0.00 -0.10 0.36 0.00 0.07 0.00 0.00 59.36 59.69 2yu0 h GLU 41 Cb 0.53 0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.71 2yu0 h GLU 41 CO 0.00 0.84 0.80 -0.56 0.07 0.00 0.00 179.01 180.16 2yu0 h GLN 42 N -0.60 0.19 -6.33 1.06 3.07 -1.95 -3.38 115.11 107.17 2yu0 h GLN 42 Ca -0.02 -0.01 -0.55 0.00 0.09 0.00 0.00 58.65 58.17 2yu0 h GLN 42 Cb 0.88 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 2yu0 h GLN 42 CO 0.03 0.13 0.93 0.71 0.09 0.00 0.00 178.83 180.72 2yu0 s TYR 43 N -5.32 2.56 0.30 0.06 2.02 -1.23 -5.01 117.35 110.72 2yu0 s TYR 43 Ca -0.08 0.59 0.04 0.00 -0.37 0.00 0.00 57.07 57.26 2yu0 s TYR 43 Cb 0.27 -3.76 0.05 0.00 -0.40 0.00 0.00 41.96 38.12 2yu0 s TYR 43 CO 0.81 -2.96 0.41 0.25 -1.57 0.00 0.00 175.55 172.49 2yu0 n THR 44 N 4.95 0.00 0.37 -0.71 -2.24 -1.26 -4.96 114.28 110.43 2yu0 n THR 44 Ca 0.15 -0.93 0.13 0.00 -2.27 0.00 0.00 64.05 61.12 2yu0 n THR 44 Cb 0.43 -0.81 0.53 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.02 0.00 0.00 4.28 1.35 -1.97 -3.11 112.91 113.45 2yu0 h THR 45 Ca -0.14 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2yu0 h THR 45 Cb 0.61 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 2yu0 h THR 45 CO 0.19 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 175.08 2yu0 n ILE 46 N -2.36 0.00 -0.28 6.82 5.41 -1.26 -3.36 119.36 124.33 2yu0 n ILE 46 Ca 0.02 0.49 0.10 0.00 1.00 0.00 0.00 62.75 64.35 2yu0 n ILE 46 Cb 0.23 -1.47 0.20 0.00 -0.71 0.00 0.00 39.64 37.89 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 -2.16 -0.07 -0.28 0.38 6.02 -1.25 0.24 117.38 120.26 2yu0 n GLN 47 Ca 0.00 1.22 -0.06 0.00 -0.01 0.00 0.00 57.00 58.15 2yu0 n GLN 47 Cb 0.00 -1.90 0.06 0.00 1.02 0.00 0.00 30.24 29.42 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 1.25 -0.55 5.09 1.08 -1.74 -2.44 117.51 120.20 2yu0 h ILE 48 Ca 0.46 -0.79 0.05 0.00 -0.39 0.00 0.00 64.86 64.18 2yu0 h ILE 48 Cb 0.88 0.35 -0.05 0.00 -3.07 0.00 0.00 36.82 34.94 2yu0 h ILE 48 CO -0.78 0.32 0.30 0.00 -0.69 0.00 0.00 178.15 177.30 2yu0 h ALA 49 N 1.16 0.72 0.86 1.87 0.00 0.30 -1.85 119.26 122.32 2yu0 h ALA 49 Ca 0.25 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 2yu0 h ALA 49 Cb 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2yu0 h ALA 49 CO -0.02 -0.03 -0.41 -0.91 0.00 0.00 0.00 179.25 177.87 2yu0 h ASN 50 N 0.57 -0.98 -1.07 0.00 2.35 -1.07 -0.07 115.58 115.31 2yu0 h ASN 50 Ca 0.24 0.03 0.32 0.00 -0.55 0.00 0.00 56.30 56.34 2yu0 h ASN 50 Cb 0.13 0.25 -0.13 0.00 0.05 0.00 0.00 38.32 38.62 2yu0 h ASN 50 CO -0.15 -0.64 0.65 0.24 -1.65 0.00 0.00 177.43 175.87 2yu0 h MET 51 N -1.27 0.32 -0.09 0.81 2.86 -1.34 0.17 114.93 116.40 2yu0 h MET 51 Ca -0.12 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 2yu0 h MET 51 Cb 0.89 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.48 2yu0 h MET 51 CO 0.19 0.21 -0.21 0.52 1.06 0.00 0.00 176.91 178.68 2yu0 h MET 52 N 0.33 0.30 -1.11 1.72 2.86 -1.11 -0.24 114.93 117.67 2yu0 h MET 52 Ca 0.71 -0.20 0.31 0.00 -2.06 0.00 0.00 59.70 58.45 2yu0 h MET 52 Cb 1.74 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 33.36 2yu0 h MET 52 CO -0.49 0.81 0.77 0.93 1.06 0.00 0.00 176.91 179.99 2yu0 h GLU 53 N -0.17 0.16 0.05 1.72 4.39 0.13 0.20 114.58 121.06 2yu0 h GLU 53 Ca -0.00 -0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.40 2yu0 h GLU 53 Cb 0.82 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.40 2yu0 h GLU 53 CO 0.05 0.10 -1.60 0.39 -1.16 0.00 0.00 179.01 176.79 2yu0 n GLU 54 N -4.38 0.64 -0.03 2.33 1.02 -0.91 -3.74 120.64 115.56 2yu0 n GLU 54 Ca 0.25 0.44 -0.08 0.00 -0.02 0.00 0.00 57.16 57.75 2yu0 n GLU 54 Cb 1.09 -1.72 -0.02 0.00 -0.02 0.00 0.00 31.44 30.76 2yu0 n GLU 54 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2yu0 h LYS 55 N -0.57 -0.16 -3.17 3.49 1.79 0.10 -3.31 116.57 114.74 2yu0 h LYS 55 Ca -0.39 0.01 -0.63 0.00 -2.18 0.00 0.00 60.65 57.46 2yu0 h LYS 55 Cb 1.61 0.04 -0.42 0.00 -1.58 0.00 0.00 32.23 31.88 2yu0 h LYS 55 CO -0.10 -0.11 -0.60 -0.06 -1.08 0.00 0.00 179.45 177.50 2yu0 s PHE 56 N -6.14 3.35 -2.00 -1.35 0.08 0.60 -4.92 117.98 107.60 2yu0 s PHE 56 Ca -0.14 -3.25 0.13 0.00 0.12 0.00 0.00 56.93 53.79 2yu0 s PHE 56 Cb 0.11 -2.69 0.80 0.00 -0.57 0.00 0.00 43.02 40.67 2yu0 s PHE 56 CO 0.68 -0.62 1.22 -0.35 -0.10 0.00 0.00 175.22 176.05 2yu0 n PRO 57 N 2.42 0.48 -0.10 0.24 -0.04 -1.25 0.10 135.00 136.86 2yu0 n PRO 57 Ca 0.15 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 2yu0 n PRO 57 Cb 0.34 -1.43 -0.06 0.00 -0.04 0.00 0.00 33.50 32.31 2yu0 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 n ALA 58 N -0.93 0.75 0.78 0.55 0.00 -1.26 -4.59 120.51 115.80 2yu0 n ALA 58 Ca 0.10 -0.62 0.08 0.00 0.00 0.00 0.00 53.44 53.00 2yu0 n ALA 58 Cb 0.05 -0.16 -0.06 0.00 0.00 0.00 0.00 19.45 19.28 2yu0 n ALA 58 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2yu0 n ASP 59 N -4.47 1.13 -2.15 0.00 5.75 -1.19 -4.97 116.55 110.65 2yu0 n ASP 59 Ca -0.24 -1.07 -0.13 0.00 -0.01 0.00 0.00 54.79 53.34 2yu0 n ASP 59 Cb 0.55 0.80 -0.02 0.00 -1.03 0.00 0.00 41.12 41.42 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2yu0 n SER 60 N -0.90 -3.96 0.00 -1.12 7.64 0.29 0.30 113.62 115.87 2yu0 n SER 60 Ca 0.05 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2yu0 n SER 60 Cb 0.30 -3.44 0.00 0.00 -1.01 0.00 0.00 64.21 60.06 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 -0.67 0.63 0.00 0.23 0.00 -1.26 -4.32 105.19 99.80 2yu0 n GLY 61 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.46 -0.12 0.99 7.94 0.15 -3.46 117.00 122.95 2yu0 n LEU 62 Ca 0.00 0.46 -0.12 0.00 -1.11 0.00 0.00 56.01 55.24 2yu0 n LEU 62 Cb 0.00 -0.42 -0.07 0.00 0.53 0.00 0.00 43.42 43.47 2yu0 n LEU 62 CO 0.00 -0.42 0.54 1.23 -1.11 0.00 0.00 177.39 177.64 2yu0 h GLY 63 N 0.00 -0.74 -0.88 -3.96 0.00 -1.95 0.24 103.07 95.77 2yu0 h GLY 63 Ca 0.00 0.61 0.40 0.00 0.00 0.00 0.00 47.33 48.34 2yu0 h GLY 63 CO 0.00 -0.16 0.82 1.70 0.00 0.00 0.00 176.54 178.90 2yu0 h LYS 64 N -0.37 0.15 0.06 4.80 1.63 -1.95 0.24 116.57 121.12 2yu0 h LYS 64 Ca 0.11 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 2yu0 h LYS 64 Cb 0.60 -0.03 0.01 0.00 -0.60 0.00 0.00 32.23 32.20 2yu0 h LYS 64 CO -0.57 0.10 -0.41 1.25 -3.45 0.00 0.00 179.45 176.36 2yu0 h LEU 65 N 0.15 0.26 -0.54 5.20 7.12 -0.69 -3.19 115.31 123.63 2yu0 h LEU 65 Ca 0.76 -0.92 0.10 0.00 0.13 0.00 0.00 57.88 57.95 2yu0 h LEU 65 Cb 2.34 -0.08 -0.11 0.00 -0.53 0.00 0.00 40.66 42.28 2yu0 h LEU 65 CO -0.37 1.16 -0.32 0.40 -0.13 0.00 0.00 178.44 179.18 2yu0 h ILE 66 N -0.59 0.20 -0.39 4.05 2.04 0.20 -0.49 117.51 122.52 2yu0 h ILE 66 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2yu0 h ILE 66 Cb 1.27 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2yu0 h ILE 66 CO 0.08 0.00 0.12 -0.33 0.00 0.00 0.00 178.15 178.02 2yu0 h GLU 67 N -0.18 0.26 -1.08 2.37 4.39 -1.46 -0.89 114.58 117.99 2yu0 h GLU 67 Ca 0.22 -0.02 0.30 0.00 0.34 0.00 0.00 59.36 60.21 2yu0 h GLU 67 Cb 0.54 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.07 2yu0 h GLU 67 CO -0.64 0.17 0.75 0.35 -1.16 0.00 0.00 179.01 178.49 2yu0 h PHE 68 N 0.27 0.21 0.09 4.33 3.57 -1.09 0.37 116.94 124.69 2yu0 h PHE 68 Ca 0.18 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 61.42 2yu0 h PHE 68 Cb 0.18 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 38.88 2yu0 h PHE 68 CO -0.16 0.02 -1.16 0.00 -2.23 0.00 0.00 178.31 174.78 2yu0 h GLU 70 N 0.21 -0.80 -0.87 0.00 4.39 0.18 -1.51 114.58 116.18 2yu0 h GLU 70 Ca -0.14 0.05 0.36 0.00 0.34 0.00 0.00 59.36 59.97 2yu0 h GLU 70 Cb 1.83 0.18 -0.15 0.00 -0.10 0.00 0.00 28.75 30.52 2yu0 h GLU 70 CO 0.21 -0.53 0.48 -0.85 -1.16 0.00 0.00 179.01 177.16 2yu0 n GLU 71 N -4.71 -0.05 -3.31 2.33 0.28 -0.96 -4.03 120.64 110.18 2yu0 n GLU 71 Ca -0.10 1.15 -0.38 0.00 -0.16 0.00 0.00 57.16 57.67 2yu0 n GLU 71 Cb 0.36 -2.08 -0.06 0.00 1.43 0.00 0.00 31.44 31.09 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 -5.25 5.18 0.17 3.84 1.01 -0.89 -4.96 120.40 119.50 2yu0 s VAL 72 Ca -0.07 0.96 0.30 0.00 0.00 0.00 0.00 61.98 63.16 2yu0 s VAL 72 Cb 0.28 -3.82 0.33 0.00 0.00 0.00 0.00 36.38 33.17 2yu0 s VAL 72 CO 0.66 0.33 1.95 1.55 0.00 0.00 0.00 175.10 179.59 2yu0 h PRO 73 N 6.69 0.00 -0.00 2.72 0.13 -1.79 0.73 132.00 140.49 2yu0 h PRO 73 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2yu0 h PRO 73 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2yu0 h PRO 73 CO 0.75 0.09 -0.38 0.00 -0.23 0.00 0.00 178.00 178.24 2yu0 n ALA 74 N -2.16 3.29 0.09 -0.56 0.00 -1.26 -3.88 120.51 116.03 2yu0 n ALA 74 Ca 0.00 -0.32 0.03 0.00 0.00 0.00 0.00 53.44 53.15 2yu0 n ALA 74 Cb 0.33 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.36 0.09 -0.16 0.00 4.77 -0.93 -4.70 117.00 114.71 2yu0 n LEU 75 Ca 0.07 -0.15 -0.08 0.00 -0.03 0.00 0.00 56.01 55.82 2yu0 n LEU 75 Cb 0.33 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2yu0 n LEU 75 CO 0.32 0.02 0.60 0.03 -1.33 0.00 0.00 177.39 177.04 2yu0 h ARG 76 N 0.00 -0.24 -1.31 3.23 3.08 0.14 0.39 114.38 119.67 2yu0 h ARG 76 Ca 0.00 0.02 0.38 0.00 0.07 0.00 0.00 59.98 60.45 2yu0 h ARG 76 Cb 0.25 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.27 2yu0 h ARG 76 CO 0.00 -0.16 0.90 -0.22 -1.07 0.00 0.00 179.97 179.42 2yu0 h LYS 77 N -0.25 0.11 -0.16 0.04 3.11 -1.84 0.77 116.57 118.35 2yu0 h LYS 77 Ca 0.18 -0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.80 2yu0 h LYS 77 Cb 0.56 -0.02 0.01 0.00 -1.00 0.00 0.00 32.23 31.77 2yu0 h LYS 77 CO -0.61 0.07 -0.73 -0.09 -2.81 0.00 0.00 179.45 175.28 2yu0 h ARG 78 N 0.11 0.72 0.32 1.90 9.65 -0.56 -3.18 114.38 123.34 2yu0 h ARG 78 Ca 0.69 -0.56 -0.01 0.00 -1.10 0.00 0.00 59.98 59.00 2yu0 h ARG 78 Cb 2.41 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 31.09 2yu0 h ARG 78 CO -0.17 1.18 -0.20 0.00 2.80 0.00 0.00 179.97 183.58 2yu0 h ALA 79 N 0.67 -0.49 -0.47 2.80 0.00 0.11 0.14 119.26 122.01 2yu0 h ALA 79 Ca -0.04 -0.09 0.14 0.00 0.00 0.00 0.00 54.91 54.91 2yu0 h ALA 79 Cb 1.35 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 2yu0 h ALA 79 CO 0.15 -0.79 0.42 1.05 0.00 0.00 0.00 179.25 180.08 2yu0 h GLU 80 N -0.50 0.00 0.07 0.00 4.11 -1.52 0.37 114.58 117.12 2yu0 h GLU 80 Ca -0.03 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.30 2yu0 h GLU 80 Cb 0.42 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2yu0 h GLU 80 CO 0.03 0.00 -0.41 0.82 0.07 0.00 0.00 179.01 179.52 2yu0 h ILE 81 N 0.00 1.65 0.00 -1.06 2.04 -1.32 -2.05 117.51 116.77 2yu0 h ILE 81 Ca 0.22 -2.44 -0.07 0.00 1.00 0.00 0.00 64.86 63.58 2yu0 h ILE 81 Cb 1.06 3.29 -0.01 0.00 -0.74 0.00 0.00 36.82 40.42 2yu0 h ILE 81 CO -0.00 0.66 -0.32 -0.07 0.00 0.00 0.00 178.15 178.42 2yu0 h LEU 82 N -0.67 0.00 0.01 1.44 3.38 0.19 -0.31 115.31 119.34 2yu0 h LEU 82 Ca -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2yu0 h LEU 82 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 2yu0 h LEU 82 CO 0.08 0.32 -0.01 0.11 0.09 0.00 0.00 178.44 179.03 2yu0 h LYS 83 N 0.00 -0.01 -0.45 1.13 1.57 -0.40 -0.09 116.57 118.31 2yu0 h LYS 83 Ca -0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2yu0 h LYS 83 Cb 0.67 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 2yu0 h LYS 83 CO 0.04 0.75 0.09 -0.22 -0.57 0.00 0.00 179.45 179.55 2yu0 h LYS 84 N -0.96 0.68 0.19 3.15 1.63 -1.36 -2.89 116.57 117.00 2yu0 h LYS 84 Ca -0.00 -0.13 -0.31 0.00 -0.85 0.00 0.00 60.65 59.36 2yu0 h LYS 84 Cb 0.77 -0.11 0.03 0.00 -0.60 0.00 0.00 32.23 32.33 2yu0 h LYS 84 CO 0.00 0.63 -1.36 1.49 -3.45 0.00 0.00 179.45 176.77 2yu0 h GLU 85 N 0.66 0.51 -0.85 1.90 4.57 -1.16 -3.34 114.58 116.87 2yu0 h GLU 85 Ca 0.15 -0.80 0.12 0.00 -1.18 0.00 0.00 59.36 57.65 2yu0 h GLU 85 Cb 0.27 0.29 -0.13 0.00 -0.16 0.00 0.00 28.75 29.02 2yu0 h GLU 85 CO -0.00 1.37 -0.37 -2.13 -1.18 0.00 0.00 179.01 176.71 2yu0 n ARG 86 N -3.70 -0.24 -2.15 1.92 0.63 -0.05 -4.27 116.66 108.80 2yu0 n ARG 86 Ca -0.14 1.30 -0.41 0.00 -0.92 0.00 0.00 57.85 57.67 2yu0 n ARG 86 Cb 1.05 -1.92 -0.03 0.00 0.45 0.00 0.00 32.46 32.01 2yu0 n ARG 86 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2yu0 s SER 87 N -5.33 6.82 -0.10 6.15 0.01 -1.24 -4.94 113.70 115.08 2yu0 s SER 87 Ca -0.11 2.51 -0.05 0.00 1.31 0.00 0.00 55.95 59.60 2yu0 s SER 87 Cb 0.15 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2yu0 s SER 87 CO 0.59 -0.57 -0.13 -0.62 0.41 0.00 0.00 173.24 172.91 2yu0 n GLU 88 N 2.27 0.22 -2.25 12.44 -0.58 -1.26 -4.79 120.64 126.68 2yu0 n GLU 88 Ca 0.05 0.10 -0.24 0.00 -0.42 0.00 0.00 57.16 56.65 2yu0 n GLU 88 Cb 0.42 -0.87 0.01 0.00 -0.57 0.00 0.00 31.44 30.43 2yu0 n GLU 88 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2yu0 n SER 89 N -3.51 4.67 -0.28 1.62 2.88 -1.26 -5.04 113.62 112.70 2yu0 n SER 89 Ca -0.19 -3.67 0.00 0.00 -1.33 0.00 0.00 58.87 53.68 2yu0 n SER 89 Cb 0.60 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 2yu0 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu0 n GLY 90 N -0.59 6.10 3.55 0.46 0.00 -1.26 -5.06 105.19 108.38 2yu0 n GLY 90 Ca 0.40 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 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 0.44 2.59 -0.19 1.61 0.04 -1.26 -4.88 135.00 133.34 2yu0 s PRO 91 Ca 0.00 0.20 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 2yu0 s PRO 91 Cb 0.00 -4.70 0.14 0.00 0.04 0.00 0.00 34.50 29.98 2yu0 s PRO 91 CO 0.00 -3.04 1.07 0.45 0.04 0.00 0.00 177.00 175.52 2yu0 s SER 92 N 8.10 -0.30 0.25 6.66 0.15 -1.26 -5.06 113.70 122.24 2yu0 s SER 92 Ca 0.69 0.35 0.09 0.00 0.70 0.00 0.00 55.95 57.78 2yu0 s SER 92 Cb -0.10 0.27 -0.05 0.00 -1.71 0.00 0.00 66.02 64.43 2yu0 s SER 92 CO 0.11 -0.27 -0.15 -0.94 1.20 0.00 0.00 173.24 173.19 2yu0 s SER 93 N -1.02 3.03 0.00 5.45 1.04 -1.26 -5.11 113.70 115.82 2yu0 s SER 93 Ca 0.01 -1.06 0.00 0.00 0.48 0.00 0.00 55.95 55.37 2yu0 s SER 93 Cb -0.01 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.90 2yu0 s SER 93 CO -0.01 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.69