#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu3 n SER 2 N 0.00 -7.83 -4.16 1.61 7.64 -1.26 -4.92 113.62 104.71 2yu3 n SER 2 Ca 0.00 1.05 -0.30 0.00 1.01 0.00 0.00 58.87 60.63 2yu3 n SER 2 Cb 0.00 -4.38 0.18 0.00 -1.01 0.00 0.00 64.21 59.00 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yu3 s SER 3 N -7.06 3.16 0.49 6.43 1.04 -1.26 -5.07 113.70 111.43 2yu3 s SER 3 Ca 0.00 0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2yu3 s SER 3 Cb 0.00 -0.34 0.00 0.00 0.10 0.00 0.00 66.02 65.78 2yu3 s SER 3 CO 0.00 -2.71 0.00 0.61 0.98 0.00 0.00 173.24 172.12 2yu3 n GLY 4 N -3.75 -2.78 3.22 7.32 0.00 -1.26 -5.10 105.19 102.84 2yu3 n GLY 4 Ca 0.15 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 2yu3 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu3 n SER 5 N -1.46 -1.36 -4.67 1.61 7.64 -1.26 -5.17 113.62 108.96 2yu3 n SER 5 Ca 0.00 -2.78 -0.29 0.00 1.01 0.00 0.00 58.87 56.81 2yu3 n SER 5 Cb 0.00 2.51 0.17 0.00 -1.01 0.00 0.00 64.21 65.87 2yu3 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yu3 s SER 6 N -3.05 2.85 0.00 6.43 0.15 -1.26 -4.75 113.70 114.07 2yu3 s SER 6 Ca 0.27 1.48 0.00 0.00 0.70 0.00 0.00 55.95 58.40 2yu3 s SER 6 Cb -0.01 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2yu3 s SER 6 CO 0.19 -3.03 0.00 0.61 1.20 0.00 0.00 173.24 172.21 2yu3 n GLY 7 N -0.72 0.80 0.00 9.45 0.00 -1.26 -5.12 105.19 108.34 2yu3 n GLY 7 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2yu3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu3 n GLY 8 N -0.14 -1.85 3.07 -0.02 0.00 -1.26 -5.09 105.19 99.91 2yu3 n GLY 8 Ca 0.00 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 2yu3 n GLY 8 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yu3 s GLN 9 N -0.09 0.65 0.56 1.61 -2.07 -1.26 -5.16 119.66 113.90 2yu3 s GLN 9 Ca 0.00 -0.66 0.07 0.00 -1.82 0.00 0.00 55.36 52.95 2yu3 s GLN 9 Cb 0.00 -0.56 0.06 0.00 -1.09 0.00 0.00 33.01 31.42 2yu3 s GLN 9 CO 0.00 0.13 0.53 -0.48 -1.32 0.00 0.00 175.29 174.14 2yu3 s LEU 10 N -1.16 2.77 0.06 2.60 2.34 -1.26 -5.15 118.68 118.88 2yu3 s LEU 10 Ca -0.03 -1.16 0.02 0.00 0.06 0.00 0.00 54.13 53.02 2yu3 s LEU 10 Cb -0.08 -1.26 -0.03 0.00 -0.56 0.00 0.00 46.19 44.27 2yu3 s LEU 10 CO 0.01 -1.21 -0.08 -0.62 -1.06 0.00 0.00 176.35 173.38 2yu3 s ASP 11 N -4.41 0.97 -0.20 1.48 -1.08 -1.26 -5.14 116.67 107.03 2yu3 s ASP 11 Ca 0.41 -0.66 -0.06 0.00 -0.52 0.00 0.00 52.55 51.73 2yu3 s ASP 11 Cb -0.03 0.04 -0.03 0.00 -1.46 0.00 0.00 42.92 41.44 2yu3 s ASP 11 CO 0.26 -0.25 0.02 -0.22 0.52 0.00 0.00 175.17 175.50 2yu3 s LEU 12 N -1.92 3.39 -0.04 -1.34 2.96 -1.26 -5.09 118.68 115.38 2yu3 s LEU 12 Ca -0.05 -0.15 -0.06 0.00 -0.22 0.00 0.00 54.13 53.66 2yu3 s LEU 12 Cb -0.07 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2yu3 s LEU 12 CO -0.01 0.07 0.14 -0.22 -1.32 0.00 0.00 176.35 175.01 2yu3 s LEU 13 N 0.96 1.51 -0.18 -0.68 2.96 -1.26 -5.14 118.68 116.84 2yu3 s LEU 13 Ca 0.02 0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 2yu3 s LEU 13 Cb -0.14 0.54 0.05 0.00 0.50 0.00 0.00 46.19 47.14 2yu3 s LEU 13 CO 0.02 -0.15 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.75 2yu3 s ARG 14 N -0.41 1.09 -0.02 1.98 3.00 -1.26 -5.13 118.95 118.20 2yu3 s ARG 14 Ca -0.05 -0.52 0.05 0.00 0.00 0.00 0.00 55.73 55.20 2yu3 s ARG 14 Cb -0.03 -2.08 -0.03 0.00 0.00 0.00 0.00 34.95 32.81 2yu3 s ARG 14 CO 0.01 -0.54 -0.15 -1.54 0.00 0.00 0.00 175.30 173.08 2yu3 s SER 15 N 1.70 3.99 -0.52 0.23 1.04 -1.26 -5.06 113.70 113.82 2yu3 s SER 15 Ca -0.01 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 55.89 2yu3 s SER 15 Cb -0.16 -0.79 -0.02 0.00 0.10 0.00 0.00 66.02 65.15 2yu3 s SER 15 CO -0.07 0.31 1.87 0.20 0.98 0.00 0.00 173.24 176.53 2yu3 s ASN 16 N -1.01 5.41 -0.08 7.02 -0.87 -1.26 -4.94 114.94 119.21 2yu3 s ASN 16 Ca 0.13 0.65 -0.06 0.00 -1.57 0.00 0.00 52.86 52.01 2yu3 s ASN 16 Cb -0.11 -2.53 0.03 0.00 -0.02 0.00 0.00 41.25 38.63 2yu3 s ASN 16 CO 0.03 -2.21 0.21 0.42 -2.57 0.00 0.00 177.10 172.98 2yu3 s THR 17 N 8.62 -0.01 0.00 1.60 -4.23 -1.26 -5.04 115.64 115.32 2yu3 s THR 17 Ca 0.72 0.05 0.00 0.00 -1.18 0.00 0.00 61.69 61.28 2yu3 s THR 17 Cb -0.15 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.38 2yu3 s THR 17 CO 0.25 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 2yu3 n GLY 18 N 3.37 1.00 3.69 3.99 0.00 -1.26 -5.12 105.19 110.86 2yu3 n GLY 18 Ca -0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 2yu3 n GLY 18 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yu3 s LEU 19 N 0.00 3.41 0.13 0.99 1.43 -1.26 -4.72 118.68 118.67 2yu3 s LEU 19 Ca 0.00 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 2yu3 s LEU 19 Cb 0.00 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 44.14 2yu3 s LEU 19 CO 0.00 0.07 0.32 -0.22 0.23 0.00 0.00 176.35 176.75 2yu3 s LEU 20 N -3.10 4.29 0.01 1.79 2.96 -1.07 -1.98 118.68 121.58 2yu3 s LEU 20 Ca 0.29 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 2yu3 s LEU 20 Cb -0.09 -3.14 -0.01 0.00 0.50 0.00 0.00 46.19 43.45 2yu3 s LEU 20 CO 0.20 0.07 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.94 2yu3 s TYR 21 N -1.67 0.43 -0.03 5.38 2.02 0.00 -2.15 117.35 121.34 2yu3 s TYR 21 Ca 0.38 -0.23 -0.06 0.00 -0.37 0.00 0.00 57.07 56.80 2yu3 s TYR 21 Cb -0.12 -0.27 0.01 0.00 -0.40 0.00 0.00 41.96 41.18 2yu3 s TYR 21 CO 0.27 -0.05 0.13 1.03 -1.57 0.00 0.00 175.55 175.37 2yu3 s ARG 22 N -0.63 0.29 0.58 -0.62 0.52 -0.92 -0.10 118.95 118.07 2yu3 s ARG 22 Ca -0.03 -0.07 -0.15 0.00 -0.52 0.00 0.00 55.73 54.96 2yu3 s ARG 22 Cb -0.05 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.51 2yu3 s ARG 22 CO -0.00 -0.06 1.04 0.96 0.02 0.00 0.00 175.30 177.26 2yu3 s ILE 23 N -0.55 4.09 -0.28 1.52 -4.36 -1.26 -0.13 121.20 120.23 2yu3 s ILE 23 Ca -0.06 0.94 -0.08 0.00 -0.26 0.00 0.00 60.65 61.18 2yu3 s ILE 23 Cb -0.04 -3.51 -0.02 0.00 1.25 0.00 0.00 42.46 40.15 2yu3 s ILE 23 CO 0.01 -0.63 0.11 -0.75 0.24 0.00 0.00 174.94 173.92 2yu3 s LYS 24 N -4.24 3.48 0.33 0.37 2.20 -0.70 -4.57 119.74 116.61 2yu3 s LYS 24 Ca 0.61 -0.61 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 2yu3 s LYS 24 Cb -0.14 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 2yu3 s LYS 24 CO 0.38 -0.31 0.00 -0.25 -0.36 0.00 0.00 175.35 174.81 2yu3 n ASP 25 N 4.95 -7.95 -1.01 1.43 8.00 -1.26 -4.76 116.55 115.94 2yu3 n ASP 25 Ca -0.15 0.60 -0.01 0.00 0.71 0.00 0.00 54.79 55.94 2yu3 n ASP 25 Cb 0.50 -4.14 -0.01 0.00 -0.02 0.00 0.00 41.12 37.44 2yu3 n ASP 25 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2yu3 n SER 26 N -4.32 0.07 -1.45 -2.24 7.64 -1.26 -4.88 113.62 107.18 2yu3 n SER 26 Ca 0.00 -1.85 0.04 0.00 1.01 0.00 0.00 58.87 58.07 2yu3 n SER 26 Cb 0.66 -0.06 0.04 0.00 -1.01 0.00 0.00 64.21 63.84 2yu3 n SER 26 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yu3 n GLN 27 N 0.18 0.21 -3.15 1.43 6.02 -1.26 -5.00 117.38 115.81 2yu3 n GLN 27 Ca -0.06 -2.17 0.05 0.00 -0.01 0.00 0.00 57.00 54.81 2yu3 n GLN 27 Cb 0.83 -0.20 -0.00 0.00 1.02 0.00 0.00 30.24 31.89 2yu3 n GLN 27 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2yu3 s ASN 28 N -2.17 -0.94 -0.02 1.08 2.47 -1.26 -5.02 114.94 109.08 2yu3 s ASN 28 Ca 0.34 0.09 0.01 0.00 0.42 0.00 0.00 52.86 53.72 2yu3 s ASN 28 Cb 0.39 1.59 0.02 0.00 -1.45 0.00 0.00 41.25 41.79 2yu3 s ASN 28 CO -0.16 -0.17 0.80 0.00 -3.72 0.00 0.00 177.10 173.85 2yu3 n ALA 29 N 5.21 2.47 -1.23 1.71 0.00 -1.26 -4.97 120.51 122.44 2yu3 n ALA 29 Ca 0.08 -0.54 -0.26 0.00 0.00 0.00 0.00 53.44 52.72 2yu3 n ALA 29 Cb 0.56 -0.34 0.16 0.00 0.00 0.00 0.00 19.45 19.83 2yu3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yu3 n GLY 30 N -0.08 4.72 1.21 0.00 0.00 -1.26 -4.24 105.19 105.54 2yu3 n GLY 30 Ca -0.21 -1.30 0.04 0.00 0.00 0.00 0.00 46.02 44.56 2yu3 n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yu3 n LYS 31 N -1.10 0.65 -1.32 1.61 5.02 -1.26 -5.09 118.16 116.67 2yu3 n LYS 31 Ca 0.60 -2.53 -0.29 0.00 -2.02 0.00 0.00 58.31 54.07 2yu3 n LYS 31 Cb 1.49 -0.64 0.15 0.00 -0.02 0.00 0.00 35.03 36.01 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2yu3 s MET 32 N -1.29 0.93 0.15 1.97 -1.94 -1.26 -5.08 119.30 112.79 2yu3 s MET 32 Ca 0.36 0.52 -0.04 0.00 -1.71 0.00 0.00 55.69 54.81 2yu3 s MET 32 Cb 0.38 -1.80 0.02 0.00 2.01 0.00 0.00 34.83 35.44 2yu3 s MET 32 CO -0.13 -2.39 0.27 1.17 -0.01 0.00 0.00 175.02 173.93 2yu3 n LYS 33 N -3.94 0.38 0.00 2.03 3.00 -1.26 -5.06 118.16 113.32 2yu3 n LYS 33 Ca 0.06 -0.94 0.00 0.00 -0.00 0.00 0.00 58.31 57.43 2yu3 n LYS 33 Cb 0.57 1.06 0.00 0.00 0.00 0.00 0.00 35.03 36.67 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yu3 n GLY 34 N -0.21 2.87 3.18 3.14 0.00 -1.26 -3.72 105.19 109.18 2yu3 n GLY 34 Ca -0.02 -0.37 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 2yu3 n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yu3 n SER 35 N 0.71 3.53 0.12 1.61 3.41 -1.26 -4.71 113.62 117.03 2yu3 n SER 35 Ca 0.00 -2.78 0.18 0.00 -0.26 0.00 0.00 58.87 56.01 2yu3 n SER 35 Cb 0.00 -1.53 0.74 0.00 -0.26 0.00 0.00 64.21 63.17 2yu3 n SER 35 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2yu3 h ASP 36 N 7.59 0.00 0.28 4.04 3.32 -1.98 0.17 116.42 129.85 2yu3 h ASP 36 Ca 0.44 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 2yu3 h ASP 36 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 2yu3 h ASP 36 CO 1.70 0.00 -0.14 0.78 -1.72 0.00 0.00 179.24 179.86 2yu3 h ASN 37 N 0.00 -0.32 0.10 6.45 4.21 -1.93 -0.05 115.58 124.04 2yu3 h ASN 37 Ca 0.16 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.66 2yu3 h ASN 37 Cb 0.71 0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.99 2yu3 h ASN 37 CO -0.00 -0.16 -0.09 1.56 -1.29 0.00 0.00 177.43 177.44 2yu3 h GLN 38 N -0.52 0.00 0.17 0.81 7.50 -1.91 -2.43 115.11 118.72 2yu3 h GLN 38 Ca -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.10 2yu3 h GLN 38 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.82 2yu3 h GLN 38 CO 0.06 0.09 -0.08 0.93 -1.50 0.00 0.00 178.83 178.34 2yu3 h GLU 39 N 0.00 -0.22 -0.80 1.46 5.08 -0.68 -3.13 114.58 116.29 2yu3 h GLU 39 Ca -0.00 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2yu3 h GLU 39 Cb 0.17 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2yu3 h GLU 39 CO 0.01 0.15 0.45 0.87 -1.00 0.00 0.00 179.01 179.50 2yu3 h LYS 40 N -0.64 0.75 -0.27 2.33 1.57 -0.76 0.12 116.57 119.67 2yu3 h LYS 40 Ca -0.02 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 2yu3 h LYS 40 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2yu3 h LYS 40 CO 0.04 0.50 0.28 1.25 -0.57 0.00 0.00 179.45 180.95 2yu3 h LEU 41 N 0.78 0.00 0.03 2.94 5.85 -1.44 0.20 115.31 123.66 2yu3 h LEU 41 Ca 0.38 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.80 2yu3 h LEU 41 Cb 0.33 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2yu3 h LEU 41 CO -0.24 0.00 -1.67 0.52 -0.34 0.00 0.00 178.44 176.72 2yu3 n VAL 42 N -3.84 1.59 0.26 1.05 0.31 0.17 -3.91 118.33 113.96 2yu3 n VAL 42 Ca 0.04 -0.24 0.09 0.00 -0.01 0.00 0.00 64.34 64.22 2yu3 n VAL 42 Cb 0.42 -1.92 0.68 0.00 -0.91 0.00 0.00 33.84 32.11 2yu3 n VAL 42 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 2yu3 h TYR 43 N -0.72 0.00 -0.25 3.52 5.03 -0.41 -2.18 116.97 121.96 2yu3 h TYR 43 Ca -0.43 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 60.83 2yu3 h TYR 43 Cb 1.54 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.81 2yu3 h TYR 43 CO 0.06 0.03 -0.06 1.96 -1.32 0.00 0.00 178.16 178.83 2yu3 h GLN 44 N 0.00 0.49 -0.33 1.82 1.08 -0.78 -0.90 115.11 116.48 2yu3 h GLN 44 Ca -0.00 -0.19 -0.03 0.00 -1.45 0.00 0.00 58.65 56.99 2yu3 h GLN 44 Cb 0.05 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2yu3 h GLN 44 CO 0.00 0.71 0.09 0.82 -0.95 0.00 0.00 178.83 179.50 2yu3 h ILE 45 N 0.23 1.21 -0.27 2.54 2.04 -1.53 -2.39 117.51 119.34 2yu3 h ILE 45 Ca 0.06 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 2yu3 h ILE 45 Cb 0.52 1.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2yu3 h ILE 45 CO 0.02 0.24 -0.08 0.40 0.00 0.00 0.00 178.15 178.73 2yu3 h ILE 46 N 0.37 1.20 -0.34 -0.67 2.04 -1.41 -2.52 117.51 116.19 2yu3 h ILE 46 Ca 0.10 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 2yu3 h ILE 46 Cb 0.27 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 2yu3 h ILE 46 CO -0.00 0.29 -0.13 -0.08 0.00 0.00 0.00 178.15 178.22 2yu3 h GLU 47 N 0.41 0.59 0.00 2.37 4.81 -0.89 -2.41 114.58 119.45 2yu3 h GLU 47 Ca 0.08 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2yu3 h GLU 47 Cb 0.40 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2yu3 h GLU 47 CO 0.02 0.71 -0.23 0.22 -0.73 0.00 0.00 179.01 178.99 2yu3 h ASP 48 N 0.54 0.00 0.38 1.04 1.82 -0.99 -2.53 116.42 116.68 2yu3 h ASP 48 Ca 0.09 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.57 2yu3 h ASP 48 Cb 0.55 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 2yu3 h ASP 48 CO 0.03 0.23 -0.67 0.00 -1.61 0.00 0.00 179.24 177.23 2yu3 h ALA 49 N 1.77 0.74 -0.63 -0.78 0.00 -1.34 -3.47 119.26 115.55 2yu3 h ALA 49 Ca -0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2yu3 h ALA 49 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2yu3 h ALA 49 CO 0.03 0.77 0.00 0.41 0.00 0.00 0.00 179.25 180.46 2yu3 n GLY 50 N 0.42 2.69 0.18 0.00 0.00 -0.96 -1.07 105.19 106.46 2yu3 n GLY 50 Ca -0.03 0.33 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 2yu3 n GLY 50 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2yu3 h ASN 51 N 0.00 0.76 -0.69 1.61 -0.73 -1.91 -3.19 115.58 111.43 2yu3 h ASN 51 Ca 0.00 -0.69 0.13 0.00 1.87 0.00 0.00 56.30 57.61 2yu3 h ASN 51 Cb 0.00 -0.23 -0.04 0.00 0.27 0.00 0.00 38.32 38.32 2yu3 h ASN 51 CO 0.00 1.34 0.46 0.11 -0.37 0.00 0.00 177.43 178.97 2yu3 h LYS 52 N 0.24 0.40 -1.65 6.67 1.79 -1.48 -3.48 116.57 119.06 2yu3 h LYS 52 Ca -0.07 -0.02 0.15 0.00 -2.18 0.00 0.00 60.65 58.52 2yu3 h LYS 52 Cb 1.39 -0.09 -0.08 0.00 -1.58 0.00 0.00 32.23 31.87 2yu3 h LYS 52 CO 0.15 0.27 -0.58 0.41 -1.08 0.00 0.00 179.45 178.61 2yu3 n GLY 53 N -1.52 -3.03 3.23 3.86 0.00 -1.01 -4.97 105.19 101.74 2yu3 n GLY 53 Ca 0.12 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 2yu3 n GLY 53 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2yu3 s ILE 54 N -3.73 1.80 0.43 -0.61 2.07 0.86 -4.84 121.20 117.18 2yu3 s ILE 54 Ca 0.00 -0.94 -0.23 0.00 -1.41 0.00 0.00 60.65 58.07 2yu3 s ILE 54 Cb 0.00 -1.52 -0.09 0.00 0.13 0.00 0.00 42.46 40.98 2yu3 s ILE 54 CO 0.00 0.51 1.03 0.26 -1.91 0.00 0.00 174.94 174.83 2yu3 s TRP 55 N -0.21 3.20 0.53 3.50 0.52 -1.26 -0.82 118.94 124.40 2yu3 s TRP 55 Ca -0.00 1.63 0.29 0.00 0.02 0.00 0.00 56.10 58.03 2yu3 s TRP 55 Cb -0.12 -3.07 1.43 0.00 -1.15 0.00 0.00 33.47 30.56 2yu3 s TRP 55 CO 0.02 -0.60 1.92 1.03 0.02 0.00 0.00 176.95 179.34 2yu3 h SER 56 N 2.17 0.03 0.12 2.95 0.87 -1.76 0.19 113.55 118.12 2yu3 h SER 56 Ca -0.49 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.84 2yu3 h SER 56 Cb 1.21 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2yu3 h SER 56 CO 0.61 0.01 -0.93 0.03 -0.53 0.00 0.00 176.83 176.02 2yu3 h ARG 57 N 0.03 0.59 0.61 2.24 3.08 -1.91 -2.74 114.38 116.27 2yu3 h ARG 57 Ca 0.38 -0.59 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 2yu3 h ARG 57 Cb 1.48 0.16 0.01 0.00 0.08 0.00 0.00 29.97 31.69 2yu3 h ARG 57 CO -0.02 1.20 -0.29 -0.44 -1.07 0.00 0.00 179.97 179.35 2yu3 h ASP 58 N 0.35 -0.69 -0.32 7.04 3.32 -1.05 -1.80 116.42 123.26 2yu3 h ASP 58 Ca -0.09 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.06 2yu3 h ASP 58 Cb 1.57 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 41.29 2yu3 h ASP 58 CO 0.18 -0.30 0.32 1.62 -1.72 0.00 0.00 179.24 179.34 2yu3 h VAL 59 N -1.20 0.48 -0.04 -1.35 3.04 -1.35 -0.46 116.25 115.37 2yu3 h VAL 59 Ca -0.08 0.00 -0.19 0.00 -1.01 0.00 0.00 66.70 65.42 2yu3 h VAL 59 Cb 0.64 0.75 0.01 0.00 -2.01 0.00 0.00 31.29 30.69 2yu3 h VAL 59 CO 0.14 0.00 -0.72 -0.09 -1.01 0.00 0.00 177.57 175.89 2yu3 h ARG 60 N 0.00 0.55 0.04 4.17 2.43 -1.39 -1.97 114.38 118.20 2yu3 h ARG 60 Ca 0.15 -0.54 -0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2yu3 h ARG 60 Cb 0.80 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2yu3 h ARG 60 CO -0.00 1.17 -0.02 -0.92 -1.51 0.00 0.00 179.97 178.69 2yu3 h TYR 61 N 0.14 -0.05 -0.09 2.20 3.20 -0.21 0.25 116.97 122.40 2yu3 h TYR 61 Ca -0.08 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.74 2yu3 h TYR 61 Cb 1.39 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 2yu3 h TYR 61 CO 0.12 0.14 -0.19 0.87 -1.64 0.00 0.00 178.16 177.46 2yu3 h LYS 62 N -0.23 0.15 0.00 1.82 1.57 -1.46 -2.24 116.57 116.19 2yu3 h LYS 62 Ca -0.01 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 2yu3 h LYS 62 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2yu3 h LYS 62 CO 0.01 0.35 -0.47 0.77 -0.57 0.00 0.00 179.45 179.53 2yu3 h SER 63 N 0.14 0.00 -3.92 0.86 0.02 -1.10 -3.48 113.55 106.08 2yu3 h SER 63 Ca 0.03 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.63 2yu3 h SER 63 Cb 0.42 0.00 0.06 0.00 0.14 0.00 0.00 62.40 63.02 2yu3 h SER 63 CO 0.03 0.47 -0.52 -3.20 -1.14 0.00 0.00 176.83 172.48 2yu3 n ASN 64 N -3.23 -5.45 -4.37 3.07 5.15 0.84 -5.01 115.26 106.26 2yu3 n ASN 64 Ca 0.02 -0.26 -0.30 0.00 -0.60 0.00 0.00 54.58 53.44 2yu3 n ASN 64 Cb 0.71 -4.27 -0.14 0.00 -0.53 0.00 0.00 39.78 35.55 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2yu3 s LEU 65 N -5.74 2.25 0.72 1.20 1.43 -1.14 -5.07 118.68 112.33 2yu3 s LEU 65 Ca 0.27 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.72 2yu3 s LEU 65 Cb -0.12 -1.35 0.03 0.00 0.03 0.00 0.00 46.19 44.78 2yu3 s LEU 65 CO 0.34 0.27 1.10 -2.16 0.23 0.00 0.00 176.35 176.13 2yu3 s PRO 66 N -1.17 2.53 0.37 1.29 0.04 -1.26 -4.72 135.00 132.08 2yu3 s PRO 66 Ca 0.12 1.28 0.12 0.00 0.04 0.00 0.00 61.00 62.56 2yu3 s PRO 66 Cb -0.10 -1.92 0.92 0.00 0.04 0.00 0.00 34.50 33.43 2yu3 s PRO 66 CO 0.02 -1.45 1.82 1.37 0.04 0.00 0.00 177.00 178.81 2yu3 h LEU 67 N -0.54 0.59 -1.85 -3.56 -0.00 -1.98 0.25 115.31 108.22 2yu3 h LEU 67 Ca -0.45 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 57.58 2yu3 h LEU 67 Cb 1.24 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 41.83 2yu3 h LEU 67 CO 0.53 0.23 0.30 0.00 -0.00 0.00 0.00 178.44 179.50 2yu3 h THR 68 N 0.59 0.87 0.00 0.15 1.03 -1.99 0.21 112.91 113.76 2yu3 h THR 68 Ca 0.51 -0.06 -0.01 0.00 -0.01 0.00 0.00 66.41 66.84 2yu3 h THR 68 Cb 1.02 0.68 -0.00 0.00 -1.07 0.00 0.00 68.15 68.78 2yu3 h THR 68 CO -0.26 0.03 -0.33 -0.33 -0.01 0.00 0.00 175.52 174.63 2yu3 h GLU 69 N 0.18 0.00 -0.87 0.00 4.39 -0.89 -3.35 114.58 114.03 2yu3 h GLU 69 Ca 0.20 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.13 2yu3 h GLU 69 Cb 0.56 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 2yu3 h GLU 69 CO -0.03 0.07 0.60 0.82 -1.16 0.00 0.00 179.01 179.31 2yu3 h ILE 70 N -1.00 0.62 -0.87 3.13 1.08 -1.23 0.17 117.51 119.42 2yu3 h ILE 70 Ca -0.01 -0.06 0.04 0.00 -0.39 0.00 0.00 64.86 64.44 2yu3 h ILE 70 Cb 0.35 0.43 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 2yu3 h ILE 70 CO -0.01 0.03 0.57 0.78 -0.69 0.00 0.00 178.15 178.83 2yu3 h ASN 71 N 0.17 0.91 0.38 1.72 4.21 -0.74 0.24 115.58 122.48 2yu3 h ASN 71 Ca 0.43 -0.01 -0.32 0.00 1.21 0.00 0.00 56.30 57.62 2yu3 h ASN 71 Cb 1.43 -0.21 -0.00 0.00 -1.12 0.00 0.00 38.32 38.42 2yu3 h ASN 71 CO -0.08 0.62 -1.58 0.50 -1.29 0.00 0.00 177.43 175.60 2yu3 h LYS 72 N 1.05 0.30 0.61 0.81 3.64 -0.85 -3.23 116.57 118.90 2yu3 h LYS 72 Ca 0.35 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 2yu3 h LYS 72 Cb 0.08 0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2yu3 h LYS 72 CO -0.11 1.18 -0.29 0.82 -2.27 0.00 0.00 179.45 178.77 2yu3 h ILE 73 N 0.08 0.25 -0.87 2.00 2.04 -0.81 0.24 117.51 120.44 2yu3 h ILE 73 Ca -0.27 -0.31 0.20 0.00 1.00 0.00 0.00 64.86 65.48 2yu3 h ILE 73 Cb 2.04 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 2yu3 h ILE 73 CO 0.17 0.03 0.58 -0.07 0.00 0.00 0.00 178.15 178.87 2yu3 h LEU 74 N -1.06 0.36 0.02 1.44 3.38 -0.71 0.79 115.31 119.53 2yu3 h LEU 74 Ca -0.08 0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.66 2yu3 h LEU 74 Cb 0.68 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.40 2yu3 h LEU 74 CO 0.14 0.15 -1.15 0.50 0.09 0.00 0.00 178.44 178.17 2yu3 h LYS 75 N 0.36 0.35 0.63 1.13 3.64 -1.54 -3.19 116.57 117.94 2yu3 h LYS 75 Ca 0.45 -0.49 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2yu3 h LYS 75 Cb 1.17 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 2yu3 h LYS 75 CO -0.15 1.19 -0.46 -0.97 -2.27 0.00 0.00 179.45 176.80 2yu3 h ASN 76 N 0.14 -1.19 -0.94 4.20 -0.73 0.19 -2.02 115.58 115.24 2yu3 h ASN 76 Ca -0.12 0.08 0.20 0.00 1.87 0.00 0.00 56.30 58.32 2yu3 h ASN 76 Cb 1.84 0.36 -0.08 0.00 0.27 0.00 0.00 38.32 40.71 2yu3 h ASN 76 CO 0.19 -0.66 0.60 -0.07 -0.37 0.00 0.00 177.43 177.13 2yu3 h LEU 77 N -1.04 0.53 0.50 0.34 3.38 -1.56 -1.71 115.31 115.76 2yu3 h LEU 77 Ca -0.08 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2yu3 h LEU 77 Cb 0.85 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2yu3 h LEU 77 CO 0.04 0.21 -0.34 -0.08 0.09 0.00 0.00 178.44 178.36 2yu3 h GLU 78 N 0.53 -0.79 -0.75 1.13 4.81 -1.42 -2.22 114.58 115.87 2yu3 h GLU 78 Ca 0.50 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.87 2yu3 h GLU 78 Cb 1.06 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 2yu3 h GLU 78 CO -0.23 -0.52 0.49 1.03 -0.73 0.00 0.00 179.01 179.04 2yu3 h SER 79 N -0.82 0.64 0.52 1.04 0.87 -0.64 0.24 113.55 115.40 2yu3 h SER 79 Ca -0.06 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2yu3 h SER 79 Cb 0.68 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2yu3 h SER 79 CO 0.03 0.39 0.00 0.29 -0.53 0.00 0.00 176.83 177.02 2yu3 n LYS 80 N -4.49 0.11 -2.77 2.24 5.02 -0.78 -4.86 118.16 112.63 2yu3 n LYS 80 Ca 0.12 0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 56.62 2yu3 n LYS 80 Cb 0.29 -1.73 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 2yu3 n LYS 80 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2yu3 n LYS 81 N -1.95 -3.53 -0.06 1.97 4.81 0.83 -4.90 118.16 115.34 2yu3 n LYS 81 Ca 0.02 0.77 -0.01 0.00 -0.87 0.00 0.00 58.31 58.22 2yu3 n LYS 81 Cb 0.17 -5.28 -0.16 0.00 0.02 0.00 0.00 35.03 29.78 2yu3 n LYS 81 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2yu3 n LEU 82 N -3.19 0.06 -4.62 3.14 4.77 -1.05 -4.99 117.00 111.12 2yu3 n LEU 82 Ca -0.12 0.03 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 2yu3 n LEU 82 Cb 0.61 0.28 -0.10 0.00 -2.33 0.00 0.00 43.42 41.88 2yu3 n LEU 82 CO 0.36 0.29 -0.27 0.27 -1.33 0.00 0.00 177.39 176.71 2yu3 s ILE 83 N -2.91 1.52 -0.06 -0.08 -4.36 -1.25 -1.71 121.20 112.34 2yu3 s ILE 83 Ca -0.09 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.69 0.03 0.00 1.25 0.00 0.00 42.46 41.15 2yu3 s ILE 83 CO 0.86 0.00 0.02 -1.59 0.24 0.00 0.00 174.94 174.47 2yu3 s LYS 84 N -3.79 0.38 0.31 0.37 -2.85 0.82 -4.67 119.74 110.32 2yu3 s LYS 84 Ca 0.27 0.19 -0.27 0.00 -1.00 0.00 0.00 55.97 55.15 2yu3 s LYS 84 Cb 0.07 -0.85 -0.09 0.00 -2.06 0.00 0.00 37.83 34.90 2yu3 s LYS 84 CO 0.13 -0.32 1.03 0.00 0.10 0.00 0.00 175.35 176.29 2yu3 s ALA 85 N 2.04 3.27 -0.15 0.59 0.00 -1.26 -2.17 121.76 124.07 2yu3 s ALA 85 Ca 0.05 0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.72 2yu3 s ALA 85 Cb -0.12 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.77 2yu3 s ALA 85 CO -0.05 -0.04 -0.04 0.14 0.00 0.00 0.00 175.76 175.77 2yu3 s VAL 86 N -1.39 0.95 0.67 0.00 -7.23 -0.91 -4.93 120.40 107.56 2yu3 s VAL 86 Ca 0.49 -0.46 -0.17 0.00 -1.81 0.00 0.00 61.98 60.02 2yu3 s VAL 86 Cb -0.26 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.56 2yu3 s VAL 86 CO 0.32 0.16 1.23 -0.54 -0.31 0.00 0.00 175.10 175.97 2yu3 s LYS 87 N 1.71 2.50 0.11 4.82 1.02 -1.26 -2.59 119.74 126.04 2yu3 s LYS 87 Ca 0.02 1.86 0.07 0.00 0.02 0.00 0.00 55.97 57.94 2yu3 s LYS 87 Cb -0.14 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.27 2yu3 s LYS 87 CO -0.08 -1.59 -0.17 0.45 -0.92 0.00 0.00 175.35 173.05 2yu3 s SER 88 N -1.73 2.19 0.25 2.83 0.15 -1.26 -4.79 113.70 111.34 2yu3 s SER 88 Ca 0.78 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2yu3 s SER 88 Cb -0.32 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 2yu3 s SER 88 CO 0.40 -0.04 0.00 0.52 1.20 0.00 0.00 173.24 175.32 2yu3 n VAL 89 N 0.91 0.04 -3.24 4.45 0.31 -1.26 -5.00 118.33 114.54 2yu3 n VAL 89 Ca -0.18 0.01 -0.07 0.00 -0.01 0.00 0.00 64.34 64.09 2yu3 n VAL 89 Cb 0.55 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 33.01 2yu3 n VAL 89 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2yu3 n SER 90 N -3.37 -7.03 -3.98 4.52 2.88 -1.26 -5.03 113.62 100.35 2yu3 n SER 90 Ca 0.00 -0.26 -0.19 0.00 -1.33 0.00 0.00 58.87 57.08 2yu3 n SER 90 Cb 0.00 -4.34 -0.01 0.00 -0.75 0.00 0.00 64.21 59.11 2yu3 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu3 n GLY 91 N -1.63 2.98 3.65 0.46 0.00 -1.26 -5.07 105.19 104.32 2yu3 n GLY 91 Ca -0.08 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 2yu3 n GLY 91 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu3 s PRO 92 N -3.54 4.09 -0.08 1.61 0.04 -1.26 -4.99 135.00 130.87 2yu3 s PRO 92 Ca 0.18 1.91 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 2yu3 s PRO 92 Cb -0.01 -3.95 0.06 0.00 0.04 0.00 0.00 34.50 30.64 2yu3 s PRO 92 CO 0.12 -0.94 0.59 -1.12 0.04 0.00 0.00 177.00 175.69 2yu3 s SER 93 N 3.25 -0.56 -0.99 6.66 0.01 -1.26 -4.99 113.70 115.83 2yu3 s SER 93 Ca 0.68 0.70 -0.09 0.00 1.31 0.00 0.00 55.95 58.56 2yu3 s SER 93 Cb -0.28 0.65 -0.03 0.00 0.21 0.00 0.00 66.02 66.56 2yu3 s SER 93 CO 0.26 -0.50 0.81 -0.24 0.41 0.00 0.00 173.24 173.98 2yu3 n SER 94 N 1.36 -6.44 0.00 2.44 2.88 -1.26 -5.27 113.62 107.33 2yu3 n SER 94 Ca -0.18 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.69 2yu3 n SER 94 Cb 0.57 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42