#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu3 s SER 2 N 0.00 1.79 0.29 1.61 1.04 -1.26 -5.14 113.70 112.04 2yu3 s SER 2 Ca 0.00 -0.32 -0.20 0.00 0.48 0.00 0.00 55.95 55.91 2yu3 s SER 2 Cb 0.00 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.09 2yu3 s SER 2 CO 0.00 -0.32 0.71 -0.44 0.98 0.00 0.00 173.24 174.17 2yu3 s SER 3 N 2.20 -0.20 0.00 7.02 0.01 -1.26 -5.09 113.70 116.37 2yu3 s SER 3 Ca 0.04 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2yu3 s SER 3 Cb -0.15 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.82 2yu3 s SER 3 CO -0.08 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.80 2yu3 n GLY 4 N -0.47 0.00 2.95 3.44 0.00 -1.26 -5.12 105.19 104.74 2yu3 n GLY 4 Ca -0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 2yu3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yu3 s SER 5 N 0.00 -0.72 -0.30 1.61 1.04 -1.26 -5.15 113.70 108.92 2yu3 s SER 5 Ca 0.00 -0.28 -0.18 0.00 0.48 0.00 0.00 55.95 55.97 2yu3 s SER 5 Cb 0.00 1.01 0.19 0.00 0.10 0.00 0.00 66.02 67.32 2yu3 s SER 5 CO 0.00 -0.09 1.21 -0.55 0.98 0.00 0.00 173.24 174.79 2yu3 s SER 6 N 2.11 -0.19 0.00 7.02 0.15 -1.26 -5.18 113.70 116.35 2yu3 s SER 6 Ca 0.16 0.32 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2yu3 s SER 6 Cb -0.00 0.89 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 2yu3 s SER 6 CO -0.14 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2yu3 n GLY 7 N 2.90 4.19 0.00 9.45 0.00 -1.26 -5.10 105.19 115.37 2yu3 n GLY 7 Ca -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.66 0.71 3.50 -0.02 0.00 -1.26 -4.91 105.19 101.54 2yu3 n GLY 8 Ca 0.00 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 2yu3 n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yu3 s GLN 9 N 0.00 3.21 -0.38 1.61 0.74 -1.26 -4.95 119.66 118.63 2yu3 s GLN 9 Ca 0.00 -0.74 0.13 0.00 0.05 0.00 0.00 55.36 54.80 2yu3 s GLN 9 Cb 0.00 -3.92 0.39 0.00 1.10 0.00 0.00 33.01 30.58 2yu3 s GLN 9 CO 0.00 -0.71 0.85 1.47 -0.55 0.00 0.00 175.29 176.35 2yu3 n LEU 10 N 5.38 1.70 0.00 3.68 -0.00 -1.26 -5.12 117.00 121.38 2yu3 n LEU 10 Ca -0.09 -4.69 0.13 0.00 -0.00 0.00 0.00 56.01 51.36 2yu3 n LEU 10 Cb 0.48 0.40 -0.03 0.00 -0.00 0.00 0.00 43.42 44.27 2yu3 n LEU 10 CO 0.42 2.06 -0.18 0.47 -0.00 0.00 0.00 177.39 180.17 2yu3 n ASP 11 N 0.06 -7.08 -2.70 1.45 9.92 -1.26 -4.99 116.55 111.96 2yu3 n ASP 11 Ca 0.22 1.07 -0.03 0.00 -0.53 0.00 0.00 54.79 55.51 2yu3 n ASP 11 Cb 0.68 -3.05 -0.02 0.00 -0.64 0.00 0.00 41.12 38.09 2yu3 n ASP 11 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2yu3 n LEU 12 N 0.00 -6.78 -0.10 0.64 7.94 -1.26 -4.99 117.00 112.46 2yu3 n LEU 12 Ca 0.01 1.83 -0.20 0.00 -1.11 0.00 0.00 56.01 56.54 2yu3 n LEU 12 Cb 0.45 -3.18 -0.12 0.00 0.53 0.00 0.00 43.42 41.11 2yu3 n LEU 12 CO 0.01 -3.58 -0.32 0.25 -1.11 0.00 0.00 177.39 172.63 2yu3 h LEU 13 N 3.72 0.00 -7.77 -1.96 6.46 -2.04 -3.47 115.31 110.24 2yu3 h LEU 13 Ca -0.29 -0.60 -0.40 0.00 -0.12 0.00 0.00 57.88 56.47 2yu3 h LEU 13 Cb 0.70 0.00 -0.33 0.00 -0.73 0.00 0.00 40.66 40.30 2yu3 h LEU 13 CO 0.05 1.37 -0.77 -0.60 -0.62 0.00 0.00 178.44 177.86 2yu3 s ARG 14 N -2.32 0.80 0.21 1.25 3.52 -1.26 -5.15 118.95 115.99 2yu3 s ARG 14 Ca -0.26 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 2yu3 s ARG 14 Cb 0.04 -0.79 -0.04 0.00 -1.56 0.00 0.00 34.95 32.59 2yu3 s ARG 14 CO 0.60 -0.05 0.10 0.45 -0.81 0.00 0.00 175.30 175.59 2yu3 s SER 15 N 0.76 0.66 -0.34 -2.12 0.15 -1.26 -5.12 113.70 106.43 2yu3 s SER 15 Ca -0.10 -1.35 -0.27 0.00 0.70 0.00 0.00 55.95 54.92 2yu3 s SER 15 Cb -0.13 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2yu3 s SER 15 CO 0.00 -0.76 1.00 0.21 1.20 0.00 0.00 173.24 174.89 2yu3 s ASN 16 N -3.21 6.80 0.83 5.45 3.04 -1.26 -5.04 114.94 121.56 2yu3 s ASN 16 Ca 0.36 0.82 -0.10 0.00 0.04 0.00 0.00 52.86 53.98 2yu3 s ASN 16 Cb 0.07 -2.50 0.14 0.00 -1.54 0.00 0.00 41.25 37.42 2yu3 s ASN 16 CO 0.11 -0.87 1.16 0.42 -3.04 0.00 0.00 177.10 174.88 2yu3 s THR 17 N 3.58 2.09 0.00 -5.21 -4.23 -1.26 -5.10 115.64 105.51 2yu3 s THR 17 Ca 0.42 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2yu3 s THR 17 Cb -0.12 -2.88 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2yu3 s THR 17 CO 0.17 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 2yu3 n GLY 18 N -3.31 1.00 3.75 3.99 0.00 -1.26 -5.12 105.19 104.24 2yu3 n GLY 18 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 3.61 0.09 0.99 1.43 -1.26 -4.83 118.68 118.72 2yu3 s LEU 19 Ca 0.00 -0.26 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2yu3 s LEU 19 Cb 0.00 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2yu3 s LEU 19 CO 0.00 0.06 0.18 -0.22 0.23 0.00 0.00 176.35 176.60 2yu3 s LEU 20 N -3.15 4.15 0.10 1.79 2.96 -1.06 -2.09 118.68 121.38 2yu3 s LEU 20 Ca 0.30 0.14 0.02 0.00 -0.22 0.00 0.00 54.13 54.37 2yu3 s LEU 20 Cb -0.09 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 2yu3 s LEU 20 CO 0.22 0.14 -0.07 -0.31 -1.32 0.00 0.00 176.35 175.00 2yu3 s TYR 21 N -1.55 0.94 0.14 5.38 1.51 -0.46 -2.16 117.35 121.15 2yu3 s TYR 21 Ca 0.33 -0.85 -0.21 0.00 -1.01 0.00 0.00 57.07 55.33 2yu3 s TYR 21 Cb -0.12 -0.53 0.06 0.00 -0.11 0.00 0.00 41.96 41.26 2yu3 s TYR 21 CO 0.26 -0.10 0.54 1.03 -1.11 0.00 0.00 175.55 176.16 2yu3 s ARG 22 N -3.61 1.20 0.22 -0.62 0.52 -0.84 -1.33 118.95 114.48 2yu3 s ARG 22 Ca 0.11 -0.52 -0.06 0.00 -0.52 0.00 0.00 55.73 54.73 2yu3 s ARG 22 Cb 0.03 0.55 -0.06 0.00 0.52 0.00 0.00 34.95 35.99 2yu3 s ARG 22 CO -0.03 -0.51 0.48 0.96 0.02 0.00 0.00 175.30 176.22 2yu3 s ILE 23 N -3.68 5.06 -0.30 1.52 -4.36 -1.26 -0.23 121.20 117.95 2yu3 s ILE 23 Ca 0.01 0.13 -0.08 0.00 -0.26 0.00 0.00 60.65 60.46 2yu3 s ILE 23 Cb -0.00 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.05 2yu3 s ILE 23 CO -0.12 -0.12 0.10 -0.75 0.24 0.00 0.00 174.94 174.30 2yu3 s LYS 24 N -3.02 3.16 -0.16 0.37 2.36 -0.82 -4.59 119.74 117.03 2yu3 s LYS 24 Ca 0.44 -0.82 -0.11 0.00 -2.55 0.00 0.00 55.97 52.93 2yu3 s LYS 24 Cb -0.11 -3.43 0.04 0.00 -1.05 0.00 0.00 37.83 33.28 2yu3 s LYS 24 CO 0.25 -0.44 0.23 -3.47 1.55 0.00 0.00 175.35 173.48 2yu3 n ASP 25 N 4.90 -0.89 -4.57 1.43 -0.08 -1.26 -4.73 116.55 111.35 2yu3 n ASP 25 Ca -0.14 1.30 -0.28 0.00 -1.51 0.00 0.00 54.79 54.16 2yu3 n ASP 25 Cb 0.48 -5.03 -0.05 0.00 2.34 0.00 0.00 41.12 38.86 2yu3 n ASP 25 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2yu3 s SER 26 N -0.62 5.16 0.00 1.67 0.15 -1.26 -3.78 113.70 115.02 2yu3 s SER 26 Ca -0.26 -1.32 0.00 0.00 0.70 0.00 0.00 55.95 55.07 2yu3 s SER 26 Cb 0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2yu3 s SER 26 CO 0.71 -2.86 0.00 0.00 1.20 0.00 0.00 173.24 172.29 2yu3 n GLN 27 N 8.51 0.00 -3.60 5.44 6.02 -1.26 -5.17 117.38 127.32 2yu3 n GLN 27 Ca 0.43 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.43 2yu3 n GLN 27 Cb 0.47 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.72 2yu3 n GLN 27 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2yu3 s ASN 28 N -0.52 -0.05 -0.01 1.08 4.22 -1.25 -5.07 114.94 113.35 2yu3 s ASN 28 Ca 0.00 -0.08 0.00 0.00 -2.14 0.00 0.00 52.86 50.65 2yu3 s ASN 28 Cb 0.00 0.11 0.02 0.00 1.28 0.00 0.00 41.25 42.65 2yu3 s ASN 28 CO 0.00 -0.19 0.45 0.00 -2.04 0.00 0.00 177.10 175.32 2yu3 n ALA 29 N -0.42 0.57 0.00 3.54 0.00 -1.26 -4.95 120.51 117.98 2yu3 n ALA 29 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2yu3 n ALA 29 Cb 0.62 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.06 -0.56 0.01 0.00 0.00 -1.26 -4.76 105.19 98.56 2yu3 n GLY 30 Ca -0.11 -0.75 -0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 2.17 -2.63 1.61 5.02 -1.26 -5.10 118.16 117.97 2yu3 n LYS 31 Ca 0.00 -0.01 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 2yu3 n LYS 31 Cb 0.00 -1.09 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2yu3 n LYS 31 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2yu3 n MET 32 N -1.94 -4.43 -4.76 1.97 1.56 -1.26 -5.07 117.12 103.19 2yu3 n MET 32 Ca -0.04 3.36 -0.33 0.00 -0.27 0.00 0.00 57.70 60.42 2yu3 n MET 32 Cb 0.42 -5.17 -0.07 0.00 2.15 0.00 0.00 33.22 30.55 2yu3 n MET 32 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2yu3 s LYS 33 N -0.87 2.21 7.54 2.12 -0.14 -1.26 -4.85 119.74 124.49 2yu3 s LYS 33 Ca -0.24 -2.42 0.00 0.00 -1.36 0.00 0.00 55.97 51.95 2yu3 s LYS 33 Cb 0.02 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.72 2yu3 s LYS 33 CO 0.80 -0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.40 2yu3 n GLY 34 N -1.27 2.86 2.80 -3.33 0.00 -1.26 -3.98 105.19 101.01 2yu3 n GLY 34 Ca -0.20 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2yu3 n GLY 34 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yu3 n SER 35 N 6.93 3.93 0.04 1.61 2.88 -1.26 -4.51 113.62 123.25 2yu3 n SER 35 Ca 0.00 -2.73 -0.04 0.00 -1.33 0.00 0.00 58.87 54.77 2yu3 n SER 35 Cb 0.00 -1.44 -0.09 0.00 -0.75 0.00 0.00 64.21 61.93 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2yu3 h ASP 36 N 6.55 0.00 0.76 -3.46 2.03 -1.89 -3.06 116.42 117.35 2yu3 h ASP 36 Ca 0.55 0.00 -0.09 0.00 -0.73 0.00 0.00 57.03 56.76 2yu3 h ASP 36 Cb 0.59 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 2yu3 h ASP 36 CO 1.88 0.79 -0.41 0.78 -1.03 0.00 0.00 179.24 181.25 2yu3 h ASN 37 N 0.00 0.00 0.82 4.15 4.21 -1.95 0.24 115.58 123.05 2yu3 h ASN 37 Ca -0.14 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.20 2yu3 h ASN 37 Cb 1.72 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.89 2yu3 h ASN 37 CO 0.08 0.41 -1.28 1.56 -1.29 0.00 0.00 177.43 176.90 2yu3 h GLN 38 N 0.00 0.00 0.14 0.81 7.50 -1.93 -3.36 115.11 118.27 2yu3 h GLN 38 Ca -0.00 0.00 -0.35 0.00 0.50 0.00 0.00 58.65 58.80 2yu3 h GLN 38 Cb 0.90 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.42 2yu3 h GLN 38 CO 0.05 0.37 -1.82 0.93 -1.50 0.00 0.00 178.83 176.86 2yu3 h GLU 39 N 0.00 0.30 -0.80 1.46 5.08 -1.41 -3.34 114.58 115.86 2yu3 h GLU 39 Ca -0.14 -0.51 0.22 0.00 -1.00 0.00 0.00 59.36 57.93 2yu3 h GLU 39 Cb 1.60 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 31.00 2yu3 h GLU 39 CO 0.06 1.19 0.56 1.57 -1.00 0.00 0.00 179.01 181.39 2yu3 h LYS 40 N 0.08 0.07 -0.13 2.33 2.10 -0.68 0.27 116.57 120.60 2yu3 h LYS 40 Ca -0.36 -0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.08 2yu3 h LYS 40 Cb 2.06 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.38 2yu3 h LYS 40 CO 0.13 0.04 -0.73 1.25 -2.00 0.00 0.00 179.45 178.15 2yu3 h LEU 41 N 0.07 0.75 -0.00 7.07 5.85 -1.70 -2.84 115.31 124.50 2yu3 h LEU 41 Ca 0.38 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2yu3 h LEU 41 Cb 1.43 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2yu3 h LEU 41 CO -0.03 1.25 -0.02 0.58 -0.34 0.00 0.00 178.44 179.88 2yu3 h VAL 42 N 0.44 1.62 -0.99 1.05 2.07 -0.81 -3.24 116.25 116.39 2yu3 h VAL 42 Ca -0.04 -1.84 0.18 0.00 0.82 0.00 0.00 66.70 65.82 2yu3 h VAL 42 Cb 1.34 2.86 -0.10 0.00 -1.52 0.00 0.00 31.29 33.87 2yu3 h VAL 42 CO 0.14 0.48 0.61 0.22 0.02 0.00 0.00 177.57 179.05 2yu3 h TYR 43 N -0.76 1.00 -0.91 1.57 5.03 -0.73 0.65 116.97 122.83 2yu3 h TYR 43 Ca -0.00 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.36 2yu3 h TYR 43 Cb 0.80 -0.31 -0.05 0.00 1.55 0.00 0.00 36.73 38.72 2yu3 h TYR 43 CO 0.20 0.27 0.60 1.96 -1.32 0.00 0.00 178.16 179.86 2yu3 h GLN 44 N 0.76 1.16 -0.06 1.82 1.08 -1.56 0.15 115.11 118.46 2yu3 h GLN 44 Ca 0.54 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.63 2yu3 h GLN 44 Cb 0.85 -0.26 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 2yu3 h GLN 44 CO -0.32 0.77 -0.12 0.82 -0.95 0.00 0.00 178.83 179.03 2yu3 h ILE 45 N 1.19 1.43 -0.40 2.54 2.04 -0.97 -2.76 117.51 120.59 2yu3 h ILE 45 Ca 0.35 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 2yu3 h ILE 45 Cb -0.08 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 2yu3 h ILE 45 CO -0.09 0.40 0.21 0.40 0.00 0.00 0.00 178.15 179.07 2yu3 h ILE 46 N -0.33 1.13 -0.36 -0.67 2.04 -0.94 -1.97 117.51 116.41 2yu3 h ILE 46 Ca 0.00 -0.32 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 2yu3 h ILE 46 Cb 0.71 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2yu3 h ILE 46 CO 0.03 0.14 -0.23 -0.08 0.00 0.00 0.00 178.15 178.00 2yu3 h GLU 47 N 0.55 0.72 0.00 2.37 4.22 -0.69 -2.70 114.58 119.05 2yu3 h GLU 47 Ca 0.14 -0.29 -0.06 0.00 0.08 0.00 0.00 59.36 59.23 2yu3 h GLU 47 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2yu3 h GLU 47 CO -0.02 0.89 -0.29 -0.44 -2.18 0.00 0.00 179.01 176.96 2yu3 h ASP 48 N 0.63 0.00 0.11 1.04 5.19 -1.07 -2.71 116.42 119.62 2yu3 h ASP 48 Ca 0.09 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2yu3 h ASP 48 Cb 0.73 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.24 2yu3 h ASP 48 CO 0.06 0.29 -0.09 0.00 -3.12 0.00 0.00 179.24 176.37 2yu3 h ALA 49 N 1.71 1.77 -0.87 3.45 0.00 -1.11 -3.48 119.26 120.73 2yu3 h ALA 49 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2yu3 h ALA 49 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2yu3 h ALA 49 CO 0.04 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.82 2yu3 n GLY 50 N -1.22 1.01 0.33 0.00 0.00 -1.02 -2.07 105.19 102.22 2yu3 n GLY 50 Ca -0.03 -0.61 0.17 0.00 0.00 0.00 0.00 46.02 45.55 2yu3 n GLY 50 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2yu3 h ASN 51 N 7.52 0.00 0.03 1.61 -1.07 -1.92 0.25 115.58 122.01 2yu3 h ASN 51 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.28 2yu3 h ASN 51 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 2yu3 h ASN 51 CO 0.00 0.00 -0.26 0.11 0.07 0.00 0.00 177.43 177.35 2yu3 h LYS 52 N 0.00 0.37 -1.88 4.14 1.57 -1.81 -3.49 116.57 115.47 2yu3 h LYS 52 Ca 0.10 -0.13 0.19 0.00 -1.87 0.00 0.00 60.65 58.93 2yu3 h LYS 52 Cb 0.49 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.68 2yu3 h LYS 52 CO -0.00 0.60 -0.69 0.41 -0.57 0.00 0.00 179.45 179.21 2yu3 n GLY 53 N -0.44 -3.04 3.25 3.86 0.00 0.07 -4.96 105.19 103.93 2yu3 n GLY 53 Ca -0.01 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 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 -3.70 1.96 0.49 -0.61 2.07 -0.44 -4.85 121.20 116.12 2yu3 s ILE 54 Ca 0.00 -1.02 -0.20 0.00 -1.41 0.00 0.00 60.65 58.02 2yu3 s ILE 54 Cb 0.00 -1.66 -0.08 0.00 0.13 0.00 0.00 42.46 40.85 2yu3 s ILE 54 CO 0.00 0.55 1.03 0.26 -1.91 0.00 0.00 174.94 174.87 2yu3 s TRP 55 N -0.16 3.02 0.56 3.50 0.52 -1.26 -1.35 118.94 123.78 2yu3 s TRP 55 Ca -0.03 1.57 0.27 0.00 0.02 0.00 0.00 56.10 57.94 2yu3 s TRP 55 Cb -0.13 -3.04 1.49 0.00 -1.15 0.00 0.00 33.47 30.64 2yu3 s TRP 55 CO 0.03 -0.79 1.99 1.03 0.02 0.00 0.00 176.95 179.23 2yu3 h SER 56 N 1.51 0.00 0.79 2.95 0.87 -1.79 0.28 113.55 118.15 2yu3 h SER 56 Ca -0.49 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.88 2yu3 h SER 56 Cb 1.22 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 2yu3 h SER 56 CO 0.59 0.00 -0.90 -0.09 -0.53 0.00 0.00 176.83 175.91 2yu3 h ARG 57 N 0.00 0.07 0.01 2.24 2.43 -1.91 -2.86 114.38 114.36 2yu3 h ARG 57 Ca 0.20 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2yu3 h ARG 57 Cb 0.95 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2yu3 h ARG 57 CO -0.00 0.91 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.93 2yu3 h ASP 58 N 0.03 -0.01 -0.22 -3.80 5.19 -0.91 -3.08 116.42 113.62 2yu3 h ASP 58 Ca -0.02 -0.42 0.06 0.00 -0.62 0.00 0.00 57.03 56.03 2yu3 h ASP 58 Cb 1.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.06 2yu3 h ASP 58 CO 0.12 0.69 0.26 1.62 -3.12 0.00 0.00 179.24 178.81 2yu3 h VAL 59 N -1.00 0.42 -0.06 -1.35 3.04 -1.15 -0.54 116.25 115.61 2yu3 h VAL 59 Ca -0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.48 2yu3 h VAL 59 Cb 0.43 0.79 0.01 0.00 -2.01 0.00 0.00 31.29 30.51 2yu3 h VAL 59 CO 0.00 0.00 -0.78 -0.09 -1.01 0.00 0.00 177.57 175.70 2yu3 h ARG 60 N 0.00 0.63 0.02 4.17 2.43 -1.59 -1.95 114.38 118.09 2yu3 h ARG 60 Ca 0.10 -0.60 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2yu3 h ARG 60 Cb 0.62 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 2yu3 h ARG 60 CO -0.00 1.21 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.74 2yu3 h TYR 61 N 0.27 -0.02 -0.11 2.20 3.20 -1.03 0.19 116.97 121.67 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 1.43 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.70 2yu3 h TYR 61 CO 0.11 0.25 -0.15 0.87 -1.64 0.00 0.00 178.16 177.60 2yu3 h LYS 62 N -0.30 0.18 0.00 1.82 1.57 -1.48 -2.19 116.57 116.17 2yu3 h LYS 62 Ca -0.00 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 2yu3 h LYS 62 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2yu3 h LYS 62 CO 0.00 0.34 -0.52 0.77 -0.57 0.00 0.00 179.45 179.48 2yu3 h SER 63 N 0.17 0.00 -3.30 0.86 0.02 -1.17 -3.48 113.55 106.65 2yu3 h SER 63 Ca 0.03 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.64 2yu3 h SER 63 Cb 0.38 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.94 2yu3 h SER 63 CO 0.02 0.51 -0.49 -3.20 -1.14 0.00 0.00 176.83 172.54 2yu3 n ASN 64 N -3.23 -5.31 -4.43 3.07 2.85 0.66 -5.00 115.26 103.87 2yu3 n ASN 64 Ca 0.02 -0.15 -0.31 0.00 -0.11 0.00 0.00 54.58 54.03 2yu3 n ASN 64 Cb 0.74 -4.25 -0.13 0.00 1.24 0.00 0.00 39.78 37.38 2yu3 n ASN 64 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2yu3 s LEU 65 N -5.44 2.53 0.73 1.20 1.43 -1.14 -5.07 118.68 112.93 2yu3 s LEU 65 Ca 0.15 -0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2yu3 s LEU 65 Cb -0.07 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.70 2yu3 s LEU 65 CO 0.19 0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.99 2yu3 s PRO 66 N -1.23 2.46 0.31 1.29 0.04 -1.26 -4.70 135.00 131.92 2yu3 s PRO 66 Ca 0.13 1.25 0.06 0.00 0.04 0.00 0.00 61.00 62.48 2yu3 s PRO 66 Cb -0.10 -1.92 0.73 0.00 0.04 0.00 0.00 34.50 33.25 2yu3 s PRO 66 CO 0.04 -1.49 1.80 1.37 0.04 0.00 0.00 177.00 178.75 2yu3 h LEU 67 N -0.69 0.79 -2.03 -3.56 -0.00 -1.98 0.27 115.31 108.11 2yu3 h LEU 67 Ca -0.45 0.08 0.12 0.00 -0.00 0.00 0.00 57.88 57.63 2yu3 h LEU 67 Cb 1.24 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 41.82 2yu3 h LEU 67 CO 0.52 0.32 0.30 0.00 -0.00 0.00 0.00 178.44 179.58 2yu3 h THR 68 N 0.79 0.72 0.00 0.15 1.03 -1.99 0.24 112.91 113.84 2yu3 h THR 68 Ca 0.55 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.93 2yu3 h THR 68 Cb 0.83 0.78 -0.00 0.00 -1.07 0.00 0.00 68.15 68.69 2yu3 h THR 68 CO -0.34 0.00 -0.52 -0.33 -0.01 0.00 0.00 175.52 174.32 2yu3 h GLU 69 N 0.00 0.00 -0.89 0.00 4.39 -0.86 -3.35 114.58 113.87 2yu3 h GLU 69 Ca 0.19 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.11 2yu3 h GLU 69 Cb 0.79 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.38 2yu3 h GLU 69 CO -0.00 0.11 0.60 0.82 -1.16 0.00 0.00 179.01 179.38 2yu3 h ILE 70 N -1.00 0.64 -0.63 3.13 1.08 -1.10 0.26 117.51 119.89 2yu3 h ILE 70 Ca -0.03 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 2yu3 h ILE 70 Cb 0.53 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.59 2yu3 h ILE 70 CO -0.02 0.05 0.40 0.78 -0.69 0.00 0.00 178.15 178.67 2yu3 h ASN 71 N 0.28 0.73 0.33 1.72 2.35 -0.70 0.18 115.58 120.47 2yu3 h ASN 71 Ca 0.45 -0.03 -0.33 0.00 -0.55 0.00 0.00 56.30 55.85 2yu3 h ASN 71 Cb 1.32 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 2yu3 h ASN 71 CO -0.13 0.54 -1.71 0.50 -1.65 0.00 0.00 177.43 174.98 2yu3 h LYS 72 N 0.85 0.25 0.53 0.81 3.64 -0.74 -3.27 116.57 118.64 2yu3 h LYS 72 Ca 0.23 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 2yu3 h LYS 72 Cb -0.07 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2yu3 h LYS 72 CO -0.05 1.10 -0.25 0.82 -2.27 0.00 0.00 179.45 178.80 2yu3 h ILE 73 N 0.07 0.36 -0.89 2.00 2.04 -0.61 0.24 117.51 120.71 2yu3 h ILE 73 Ca -0.31 -0.37 0.20 0.00 1.00 0.00 0.00 64.86 65.38 2yu3 h ILE 73 Cb 2.04 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 38.53 2yu3 h ILE 73 CO 0.14 0.05 0.59 -0.07 0.00 0.00 0.00 178.15 178.86 2yu3 h LEU 74 N -0.97 0.39 0.05 1.44 3.38 -0.84 0.73 115.31 119.49 2yu3 h LEU 74 Ca -0.07 0.04 -0.27 0.00 0.09 0.00 0.00 57.88 57.67 2yu3 h LEU 74 Cb 0.62 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2yu3 h LEU 74 CO 0.12 0.16 -1.18 0.50 0.09 0.00 0.00 178.44 178.13 2yu3 h LYS 75 N 0.39 0.34 0.64 1.13 1.63 -1.58 -3.19 116.57 115.93 2yu3 h LYS 75 Ca 0.46 -0.51 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 2yu3 h LYS 75 Cb 1.17 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.97 2yu3 h LYS 75 CO -0.17 1.21 -0.43 -0.97 -3.45 0.00 0.00 179.45 175.64 2yu3 h ASN 76 N 0.13 -1.12 -0.91 4.20 -0.73 0.19 -2.20 115.58 115.14 2yu3 h ASN 76 Ca -0.13 0.07 0.20 0.00 1.87 0.00 0.00 56.30 58.31 2yu3 h ASN 76 Cb 1.88 0.34 -0.07 0.00 0.27 0.00 0.00 38.32 40.74 2yu3 h ASN 76 CO 0.20 -0.64 0.60 -0.07 -0.37 0.00 0.00 177.43 177.15 2yu3 h LEU 77 N -1.02 0.42 0.65 0.34 3.38 -1.54 -1.81 115.31 115.74 2yu3 h LEU 77 Ca -0.08 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2yu3 h LEU 77 Cb 0.83 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 2yu3 h LEU 77 CO 0.06 0.17 -0.42 -0.08 0.09 0.00 0.00 178.44 178.26 2yu3 h GLU 78 N 0.42 -0.98 -0.65 1.13 4.22 -1.42 -2.17 114.58 115.13 2yu3 h GLU 78 Ca 0.48 0.07 0.08 0.00 0.08 0.00 0.00 59.36 60.06 2yu3 h GLU 78 Cb 1.17 0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.60 2yu3 h GLU 78 CO -0.19 -0.65 0.43 1.03 -2.18 0.00 0.00 179.01 177.45 2yu3 h SER 79 N -1.01 0.52 0.54 1.04 0.87 -0.76 0.24 113.55 114.98 2yu3 h SER 79 Ca -0.08 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2yu3 h SER 79 Cb 0.82 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2yu3 h SER 79 CO 0.07 0.33 0.00 0.29 -0.53 0.00 0.00 176.83 176.99 2yu3 n LYS 80 N -4.48 0.09 -2.76 2.24 5.02 -0.77 -4.86 118.16 112.64 2yu3 n LYS 80 Ca 0.10 0.37 -0.18 0.00 -2.02 0.00 0.00 58.31 56.57 2yu3 n LYS 80 Cb 0.29 -1.69 0.02 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.87 -3.46 -0.05 1.97 4.81 0.84 -4.87 118.16 115.53 2yu3 n LYS 81 Ca 0.02 0.77 -0.01 0.00 -0.87 0.00 0.00 58.31 58.23 2yu3 n LYS 81 Cb 0.18 -5.29 -0.15 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 -3.17 0.15 -4.61 3.14 4.77 -1.00 -4.92 117.00 111.36 2yu3 n LEU 82 Ca -0.12 0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.65 2yu3 n LEU 82 Cb 0.61 0.26 -0.09 0.00 -2.33 0.00 0.00 43.42 41.87 2yu3 n LEU 82 CO 0.36 0.27 -0.25 0.27 -1.33 0.00 0.00 177.39 176.71 2yu3 s ILE 83 N -2.91 1.19 -0.06 -0.08 -4.36 -1.25 -1.95 121.20 111.77 2yu3 s ILE 83 Ca -0.08 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.30 2yu3 s ILE 83 Cb 0.09 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.33 2yu3 s ILE 83 CO 0.85 0.00 0.00 -1.59 0.24 0.00 0.00 174.94 174.45 2yu3 s LYS 84 N -3.80 0.56 0.25 0.37 -2.85 0.69 -4.64 119.74 110.31 2yu3 s LYS 84 Ca 0.22 0.11 -0.28 0.00 -1.00 0.00 0.00 55.97 55.02 2yu3 s LYS 84 Cb 0.05 -0.90 -0.09 0.00 -2.06 0.00 0.00 37.83 34.83 2yu3 s LYS 84 CO 0.11 -0.28 0.92 0.00 0.10 0.00 0.00 175.35 176.21 2yu3 s ALA 85 N 1.84 3.32 -0.15 0.59 0.00 -1.26 -1.99 121.76 124.11 2yu3 s ALA 85 Ca 0.03 0.56 -0.01 0.00 0.00 0.00 0.00 51.96 52.54 2yu3 s ALA 85 Cb -0.12 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.86 2yu3 s ALA 85 CO -0.04 0.21 -0.04 0.14 0.00 0.00 0.00 175.76 176.03 2yu3 s VAL 86 N -1.29 0.95 0.34 0.00 -7.23 -0.92 -4.95 120.40 107.30 2yu3 s VAL 86 Ca 0.43 -0.46 -0.14 0.00 -1.81 0.00 0.00 61.98 60.00 2yu3 s VAL 86 Cb -0.24 -1.12 -0.08 0.00 0.56 0.00 0.00 36.38 35.50 2yu3 s VAL 86 CO 0.29 0.16 0.74 -1.59 -0.31 0.00 0.00 175.10 174.39 2yu3 s LYS 87 N 1.71 3.94 0.15 4.82 0.00 -1.26 -2.57 119.74 126.53 2yu3 s LYS 87 Ca 0.02 0.60 -0.05 0.00 0.00 0.00 0.00 55.97 56.54 2yu3 s LYS 87 Cb -0.14 -2.43 -0.06 0.00 0.00 0.00 0.00 37.83 35.20 2yu3 s LYS 87 CO -0.08 0.12 0.39 -1.54 0.00 0.00 0.00 175.35 174.24 2yu3 s SER 88 N -2.49 6.49 0.83 0.03 1.04 -1.26 -4.95 113.70 113.39 2yu3 s SER 88 Ca 0.53 0.60 -0.12 0.00 0.48 0.00 0.00 55.95 57.45 2yu3 s SER 88 Cb -0.10 -2.10 0.09 0.00 0.10 0.00 0.00 66.02 64.01 2yu3 s SER 88 CO 0.21 0.04 1.12 0.68 0.98 0.00 0.00 173.24 176.26 2yu3 s VAL 89 N -1.68 2.69 -0.22 5.02 -7.23 -1.26 -5.09 120.40 112.63 2yu3 s VAL 89 Ca 0.41 0.22 -0.16 0.00 -1.81 0.00 0.00 61.98 60.64 2yu3 s VAL 89 Cb -0.12 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 33.87 2yu3 s VAL 89 CO 0.25 -0.29 0.57 -0.94 -0.31 0.00 0.00 175.10 174.37 2yu3 s SER 90 N -4.04 -0.68 -0.25 4.85 1.04 -1.26 -5.03 113.70 108.33 2yu3 s SER 90 Ca 0.62 1.19 -0.08 0.00 0.48 0.00 0.00 55.95 58.16 2yu3 s SER 90 Cb -0.14 1.14 0.01 0.00 0.10 0.00 0.00 66.02 67.13 2yu3 s SER 90 CO 0.53 -0.21 0.30 0.61 0.98 0.00 0.00 173.24 175.46 2yu3 n GLY 91 N 3.56 -1.57 3.77 7.32 0.00 -1.26 -5.00 105.19 112.00 2yu3 n GLY 91 Ca -0.18 0.64 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.81 2.65 -0.17 1.61 0.04 -1.26 -5.07 135.00 130.99 2yu3 s PRO 92 Ca 0.13 1.33 -0.10 0.00 0.04 0.00 0.00 61.00 62.40 2yu3 s PRO 92 Cb -0.04 -1.94 0.06 0.00 0.04 0.00 0.00 34.50 32.62 2yu3 s PRO 92 CO 0.48 -1.36 0.41 0.45 0.04 0.00 0.00 177.00 177.01 2yu3 s SER 93 N -2.80 -0.50 1.05 6.66 0.15 -1.26 -5.16 113.70 111.84 2yu3 s SER 93 Ca 0.65 0.87 -0.16 0.00 0.70 0.00 0.00 55.95 58.02 2yu3 s SER 93 Cb -0.20 0.77 0.09 0.00 -1.71 0.00 0.00 66.02 64.97 2yu3 s SER 93 CO 0.46 -0.18 0.25 -1.20 1.20 0.00 0.00 173.24 173.76 2yu3 n SER 94 N 4.01 -2.16 0.00 5.45 7.64 -1.26 -5.29 113.62 122.01 2yu3 n SER 94 Ca -0.22 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2yu3 n SER 94 Cb 0.55 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.66 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64