#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 -6.30 -3.45 1.61 2.88 -1.26 -4.82 113.62 102.28 2yu3 n SER 2 Ca 0.00 0.26 -0.19 0.00 -1.33 0.00 0.00 58.87 57.60 2yu3 n SER 2 Cb 0.00 -0.72 -0.12 0.00 -0.75 0.00 0.00 64.21 62.62 2yu3 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yu3 s SER 3 N -4.51 1.84 -0.28 -3.46 0.15 -1.26 -5.01 113.70 101.16 2yu3 s SER 3 Ca 0.00 -0.63 -0.06 0.00 0.70 0.00 0.00 55.95 55.96 2yu3 s SER 3 Cb 0.00 0.34 0.01 0.00 -1.71 0.00 0.00 66.02 64.66 2yu3 s SER 3 CO 0.00 -0.37 0.16 0.61 1.20 0.00 0.00 173.24 174.84 2yu3 n GLY 4 N 5.31 -2.62 3.39 9.45 0.00 -1.26 -4.97 105.19 114.48 2yu3 n GLY 4 Ca -0.04 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.18 2yu3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu3 s SER 5 N -1.69 5.32 -0.24 1.61 0.15 -1.26 -5.05 113.70 112.53 2yu3 s SER 5 Ca 0.07 -0.62 -0.32 0.00 0.70 0.00 0.00 55.95 55.78 2yu3 s SER 5 Cb -0.02 -1.94 0.16 0.00 -1.71 0.00 0.00 66.02 62.52 2yu3 s SER 5 CO 0.64 -0.19 1.28 -0.55 1.20 0.00 0.00 173.24 175.62 2yu3 s SER 6 N 1.55 -0.10 0.00 5.45 0.15 -1.26 -5.19 113.70 114.30 2yu3 s SER 6 Ca 0.04 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2yu3 s SER 6 Cb -0.17 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 2yu3 s SER 6 CO 0.04 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.97 2yu3 n GLY 7 N 0.29 1.40 0.00 9.45 0.00 -1.26 -5.19 105.19 109.88 2yu3 n GLY 7 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.26 2.70 3.56 -0.02 0.00 -1.26 -5.17 105.19 104.74 2yu3 n GLY 8 Ca 0.00 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.05 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 1.08 1.90 -0.02 1.61 0.74 -1.26 -5.06 119.66 118.64 2yu3 s GLN 9 Ca 0.00 -2.12 0.12 0.00 0.05 0.00 0.00 55.36 53.40 2yu3 s GLN 9 Cb 0.00 -1.08 -0.23 0.00 1.10 0.00 0.00 33.01 32.80 2yu3 s GLN 9 CO 0.00 -0.27 0.74 -0.07 -0.55 0.00 0.00 175.29 175.13 2yu3 h LEU 10 N 1.80 0.01 -6.95 3.68 3.38 -2.03 -3.42 115.31 111.78 2yu3 h LEU 10 Ca -0.41 -0.01 -0.61 0.00 0.09 0.00 0.00 57.88 56.94 2yu3 h LEU 10 Cb 1.27 -0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.61 2yu3 h LEU 10 CO 0.69 1.01 -0.70 -1.81 0.09 0.00 0.00 178.44 177.72 2yu3 s ASP 11 N -6.18 3.79 -0.54 -0.43 1.01 -1.26 -4.92 116.67 108.14 2yu3 s ASP 11 Ca -0.04 -3.29 -0.20 0.00 0.71 0.00 0.00 52.55 49.73 2yu3 s ASP 11 Cb 0.08 -1.25 0.07 0.00 1.01 0.00 0.00 42.92 42.83 2yu3 s ASP 11 CO 0.82 -0.16 0.71 -0.22 0.21 0.00 0.00 175.17 176.53 2yu3 s LEU 12 N -0.56 4.90 0.02 1.23 2.96 -1.26 -5.04 118.68 120.93 2yu3 s LEU 12 Ca 0.24 -0.96 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 2yu3 s LEU 12 Cb -0.10 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.09 2yu3 s LEU 12 CO -0.11 -1.03 -0.01 -0.22 -1.32 0.00 0.00 176.35 173.65 2yu3 s LEU 13 N 2.93 3.43 0.30 -0.68 2.96 -1.26 -4.94 118.68 121.42 2yu3 s LEU 13 Ca 0.17 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2yu3 s LEU 13 Cb -0.19 -2.01 0.00 0.00 0.50 0.00 0.00 46.19 44.49 2yu3 s LEU 13 CO 0.11 0.26 0.00 -1.14 -1.32 0.00 0.00 176.35 174.26 2yu3 n ARG 14 N 1.26 0.00 -3.65 1.98 0.63 -1.26 -5.13 116.66 110.49 2yu3 n ARG 14 Ca -0.14 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.75 2yu3 n ARG 14 Cb 0.52 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.38 2yu3 n ARG 14 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2yu3 s SER 15 N -1.95 -0.94 -0.43 6.15 0.01 -1.26 -5.13 113.70 110.15 2yu3 s SER 15 Ca 0.00 1.44 -0.28 0.00 1.31 0.00 0.00 55.95 58.43 2yu3 s SER 15 Cb 0.00 1.93 0.02 0.00 0.21 0.00 0.00 66.02 68.18 2yu3 s SER 15 CO 0.00 -0.22 1.04 0.21 0.41 0.00 0.00 173.24 174.67 2yu3 s ASN 16 N 2.57 6.66 -0.19 2.44 2.47 -1.26 -4.87 114.94 122.77 2yu3 s ASN 16 Ca -0.06 0.50 0.15 0.00 0.42 0.00 0.00 52.86 53.87 2yu3 s ASN 16 Cb -0.11 -2.51 -0.24 0.00 -1.45 0.00 0.00 41.25 36.95 2yu3 s ASN 16 CO -0.18 -1.07 0.10 1.07 -3.72 0.00 0.00 177.10 173.31 2yu3 n THR 17 N 6.42 1.43 -0.38 -5.21 5.66 -1.26 -5.10 114.28 115.84 2yu3 n THR 17 Ca 0.10 -0.82 0.00 0.00 -3.05 0.00 0.00 64.05 60.28 2yu3 n THR 17 Cb 0.48 -0.64 0.00 0.00 -1.55 0.00 0.00 70.33 68.62 2yu3 n THR 17 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yu3 n GLY 18 N 1.79 1.01 3.63 1.09 0.00 -1.26 -4.42 105.19 107.02 2yu3 n GLY 18 Ca -0.33 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 43.92 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 3.16 0.09 0.99 1.43 -1.26 -4.84 118.68 118.25 2yu3 s LEU 19 Ca 0.00 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.60 2yu3 s LEU 19 Cb 0.00 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2yu3 s LEU 19 CO 0.00 0.08 0.21 -0.22 0.23 0.00 0.00 176.35 176.65 2yu3 s LEU 20 N -3.04 4.28 0.08 1.79 2.96 -1.06 -2.01 118.68 121.69 2yu3 s LEU 20 Ca 0.27 0.21 0.02 0.00 -0.22 0.00 0.00 54.13 54.41 2yu3 s LEU 20 Cb -0.09 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 2yu3 s LEU 20 CO 0.18 0.14 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.96 2yu3 s TYR 21 N -1.57 0.83 0.08 5.38 1.51 -0.48 -2.14 117.35 120.96 2yu3 s TYR 21 Ca 0.34 -0.82 -0.22 0.00 -1.01 0.00 0.00 57.07 55.37 2yu3 s TYR 21 Cb -0.12 -0.49 0.05 0.00 -0.11 0.00 0.00 41.96 41.29 2yu3 s TYR 21 CO 0.27 -0.14 0.53 1.03 -1.11 0.00 0.00 175.55 176.14 2yu3 s ARG 22 N -3.28 1.09 0.42 -0.62 0.52 -0.95 -0.94 118.95 115.19 2yu3 s ARG 22 Ca 0.06 -0.33 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 2yu3 s ARG 22 Cb 0.02 0.50 -0.06 0.00 0.52 0.00 0.00 34.95 35.93 2yu3 s ARG 22 CO -0.04 -0.42 0.77 0.96 0.02 0.00 0.00 175.30 176.60 2yu3 s ILE 23 N -2.86 4.81 -0.24 1.52 -4.36 -1.26 -0.25 121.20 118.55 2yu3 s ILE 23 Ca -0.03 0.55 -0.09 0.00 -0.26 0.00 0.00 60.65 60.82 2yu3 s ILE 23 Cb -0.00 -3.75 -0.04 0.00 1.25 0.00 0.00 42.46 39.91 2yu3 s ILE 23 CO -0.05 -0.57 0.13 -0.75 0.24 0.00 0.00 174.94 173.94 2yu3 s LYS 24 N -3.98 3.90 1.01 0.37 2.36 -0.40 -4.52 119.74 118.48 2yu3 s LYS 24 Ca 0.51 -0.36 0.00 0.00 -2.55 0.00 0.00 55.97 53.57 2yu3 s LYS 24 Cb -0.10 -3.46 0.00 0.00 -1.05 0.00 0.00 37.83 33.22 2yu3 s LYS 24 CO 0.33 -0.04 0.00 -3.47 1.55 0.00 0.00 175.35 173.72 2yu3 n ASP 25 N 4.55 -6.83 -2.71 1.43 2.03 -1.26 -4.78 116.55 108.97 2yu3 n ASP 25 Ca -0.15 0.78 -0.05 0.00 0.52 0.00 0.00 54.79 55.89 2yu3 n ASP 25 Cb 0.52 -2.22 0.09 0.00 -0.72 0.00 0.00 41.12 38.78 2yu3 n ASP 25 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2yu3 n SER 26 N -3.75 -0.21 0.16 1.67 2.88 -1.26 -4.96 113.62 108.15 2yu3 n SER 26 Ca 0.00 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.19 2yu3 n SER 26 Cb 0.33 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 2yu3 n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yu3 n GLN 27 N -0.73 0.00 -2.10 -1.46 6.02 -1.26 -5.06 117.38 112.79 2yu3 n GLN 27 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.54 2yu3 n GLN 27 Cb 0.84 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.07 2yu3 n GLN 27 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 2yu3 s ASN 28 N -4.03 6.12 -0.43 1.08 0.02 -1.26 -4.84 114.94 111.59 2yu3 s ASN 28 Ca 0.00 1.30 0.03 0.00 -1.02 0.00 0.00 52.86 53.17 2yu3 s ASN 28 Cb 0.00 -2.53 0.25 0.00 0.02 0.00 0.00 41.25 38.99 2yu3 s ASN 28 CO 0.00 -1.52 1.01 0.00 0.02 0.00 0.00 177.10 176.61 2yu3 n ALA 29 N 9.46 -2.19 -2.13 0.60 0.00 -1.26 -4.99 120.51 119.98 2yu3 n ALA 29 Ca 0.20 -1.00 -0.00 0.00 0.00 0.00 0.00 53.44 52.64 2yu3 n ALA 29 Cb 0.46 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 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 1.64 0.75 1.38 0.00 0.00 -1.26 -4.88 105.19 102.81 2yu3 n GLY 30 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 0.13 1.31 -1.38 1.61 4.01 -1.26 -5.09 118.16 117.50 2yu3 n LYS 31 Ca -0.04 -2.98 -0.31 0.00 -0.51 0.00 0.00 58.31 54.48 2yu3 n LYS 31 Cb 0.78 -1.13 0.09 0.00 -0.51 0.00 0.00 35.03 34.25 2yu3 n LYS 31 CO 0.00 0.00 0.00 -1.64 -1.11 0.00 0.00 177.40 174.65 2yu3 s MET 32 N -2.20 2.30 0.04 1.97 -1.94 -1.26 -5.08 119.30 113.13 2yu3 s MET 32 Ca 0.37 0.99 0.00 0.00 -1.71 0.00 0.00 55.69 55.35 2yu3 s MET 32 Cb 0.38 -1.91 0.00 0.00 2.01 0.00 0.00 34.83 35.31 2yu3 s MET 32 CO -0.09 -1.56 0.04 1.17 -0.01 0.00 0.00 175.02 174.57 2yu3 n LYS 33 N -3.45 1.29 -0.37 2.03 4.81 -1.26 -5.10 118.16 116.12 2yu3 n LYS 33 Ca 0.08 -0.23 -0.25 0.00 -0.87 0.00 0.00 58.31 57.04 2yu3 n LYS 33 Cb 0.54 0.01 0.23 0.00 0.02 0.00 0.00 35.03 35.83 2yu3 n LYS 33 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yu3 n GLY 34 N 4.54 -3.18 3.35 3.14 0.00 -1.26 -3.79 105.19 107.98 2yu3 n GLY 34 Ca 0.00 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.49 2yu3 n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu3 n SER 35 N -3.82 -5.49 0.23 1.61 7.64 -1.26 -4.85 113.62 107.67 2yu3 n SER 35 Ca 0.09 -0.44 0.08 0.00 1.01 0.00 0.00 58.87 59.62 2yu3 n SER 35 Cb 0.49 -4.42 0.55 0.00 -1.01 0.00 0.00 64.21 59.82 2yu3 n SER 35 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2yu3 h ASP 36 N -1.68 0.00 -0.11 6.43 3.04 -1.98 0.12 116.42 122.24 2yu3 h ASP 36 Ca -0.53 0.00 -0.09 0.00 -3.24 0.00 0.00 57.03 53.17 2yu3 h ASP 36 Cb 1.35 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.63 2yu3 h ASP 36 CO 0.58 0.22 -0.22 0.78 -2.04 0.00 0.00 179.24 178.55 2yu3 h ASN 37 N 0.00 0.53 0.46 4.15 4.21 -1.93 0.20 115.58 123.19 2yu3 h ASN 37 Ca -0.00 -0.17 -0.29 0.00 1.21 0.00 0.00 56.30 57.05 2yu3 h ASN 37 Cb 0.46 -0.14 -0.05 0.00 -1.12 0.00 0.00 38.32 37.47 2yu3 h ASN 37 CO 0.03 0.75 -1.75 0.00 -1.29 0.00 0.00 177.43 175.17 2yu3 n GLN 38 N -4.13 0.64 -0.01 0.81 3.00 -0.95 -3.75 117.38 112.99 2yu3 n GLN 38 Ca -0.00 0.26 -0.17 0.00 -0.01 0.00 0.00 57.00 57.08 2yu3 n GLN 38 Cb 0.39 -1.77 -0.10 0.00 0.00 0.00 0.00 30.24 28.76 2yu3 n GLN 38 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2yu3 h GLU 39 N 0.00 0.40 -0.83 -1.09 5.08 -0.71 -3.26 114.58 114.17 2yu3 h GLU 39 Ca -0.30 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 57.70 2yu3 h GLU 39 Cb 2.00 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.31 2yu3 h GLU 39 CO 0.07 1.05 0.55 0.87 -1.00 0.00 0.00 179.01 180.55 2yu3 h LYS 40 N -0.10 1.02 -0.07 2.33 1.57 -0.79 -0.22 116.57 120.31 2yu3 h LYS 40 Ca -0.06 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2yu3 h LYS 40 Cb 1.21 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 2yu3 h LYS 40 CO 0.10 0.68 0.07 1.25 -0.57 0.00 0.00 179.45 180.98 2yu3 h LEU 41 N 1.05 0.00 0.00 2.94 5.85 -1.64 0.88 115.31 124.39 2yu3 h LEU 41 Ca 0.33 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.79 2yu3 h LEU 41 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2yu3 h LEU 41 CO -0.09 0.00 -1.38 0.52 -0.34 0.00 0.00 178.44 177.15 2yu3 n VAL 42 N -3.95 1.53 0.25 1.05 0.31 -0.29 -3.80 118.33 113.42 2yu3 n VAL 42 Ca -0.01 -0.06 0.13 0.00 -0.01 0.00 0.00 64.34 64.39 2yu3 n VAL 42 Cb 0.17 -2.03 0.79 0.00 -0.91 0.00 0.00 33.84 31.87 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 -1.00 0.00 -0.23 3.52 5.03 -0.89 -1.67 116.97 121.73 2yu3 h TYR 43 Ca -0.38 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 60.82 2yu3 h TYR 43 Cb 1.33 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.61 2yu3 h TYR 43 CO 0.08 0.00 -0.26 1.96 -1.32 0.00 0.00 178.16 178.62 2yu3 h GLN 44 N 0.00 0.58 -0.28 1.82 1.08 -0.99 -0.01 115.11 117.31 2yu3 h GLN 44 Ca 0.03 -0.32 -0.11 0.00 -1.45 0.00 0.00 58.65 56.80 2yu3 h GLN 44 Cb 0.15 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2yu3 h GLN 44 CO -0.00 0.91 -0.30 0.82 -0.95 0.00 0.00 178.83 179.31 2yu3 h ILE 45 N 0.27 1.28 -0.01 2.54 2.04 -1.44 -2.30 117.51 119.89 2yu3 h ILE 45 Ca 0.03 -1.40 -0.19 0.00 1.00 0.00 0.00 64.86 64.30 2yu3 h ILE 45 Cb 0.82 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 2yu3 h ILE 45 CO 0.06 0.45 -0.84 0.40 0.00 0.00 0.00 178.15 178.22 2yu3 h ILE 46 N 0.49 1.47 -0.42 -0.67 2.04 -1.32 -3.22 117.51 115.88 2yu3 h ILE 46 Ca 0.06 -2.50 -0.09 0.00 1.00 0.00 0.00 64.86 63.33 2yu3 h ILE 46 Cb 0.77 2.38 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 2yu3 h ILE 46 CO 0.06 0.73 -0.10 -0.08 0.00 0.00 0.00 178.15 178.77 2yu3 h GLU 47 N 0.14 0.81 -0.51 2.37 4.81 -0.84 -2.88 114.58 118.47 2yu3 h GLU 47 Ca -0.04 -0.31 0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2yu3 h GLU 47 Cb 1.45 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 2yu3 h GLU 47 CO 0.13 0.93 0.34 0.22 -0.73 0.00 0.00 179.01 179.90 2yu3 h ASP 48 N 0.63 0.42 -0.51 1.04 1.82 -1.45 -1.12 116.42 117.24 2yu3 h ASP 48 Ca 0.11 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.74 2yu3 h ASP 48 Cb 0.63 -0.09 -0.03 0.00 0.68 0.00 0.00 39.33 40.52 2yu3 h ASP 48 CO 0.04 0.28 0.31 0.00 -1.61 0.00 0.00 179.24 178.26 2yu3 h ALA 49 N 1.72 1.54 -0.79 -0.78 0.00 -1.52 -3.46 119.26 115.98 2yu3 h ALA 49 Ca 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2yu3 h ALA 49 Cb 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2yu3 h ALA 49 CO -0.06 0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.99 2yu3 n GLY 50 N -1.34 0.82 0.10 0.00 0.00 -0.43 -1.67 105.19 102.68 2yu3 n GLY 50 Ca 0.05 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 2yu3 n GLY 50 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yu3 n ASN 51 N 8.56 0.27 -0.05 1.61 5.15 -1.26 -4.30 115.26 125.24 2yu3 n ASN 51 Ca 0.00 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2yu3 n ASN 51 Cb 0.00 0.71 0.30 0.00 -0.53 0.00 0.00 39.78 40.26 2yu3 n ASN 51 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 2yu3 h LYS 52 N 0.00 0.65 -1.22 1.20 1.57 -1.70 -3.49 116.57 113.58 2yu3 h LYS 52 Ca -0.49 -0.10 0.12 0.00 -1.87 0.00 0.00 60.65 58.31 2yu3 h LYS 52 Cb 2.19 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 34.32 2yu3 h LYS 52 CO 0.04 0.56 -0.45 0.41 -0.57 0.00 0.00 179.45 179.44 2yu3 n GLY 53 N -1.08 -2.89 3.18 3.86 0.00 -1.22 -4.96 105.19 102.08 2yu3 n GLY 53 Ca 0.03 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.46 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 -3.45 1.65 0.46 -0.61 2.07 -0.11 -4.86 121.20 116.35 2yu3 s ILE 54 Ca 0.00 -0.83 -0.21 0.00 -1.41 0.00 0.00 60.65 58.19 2yu3 s ILE 54 Cb 0.00 -1.42 -0.08 0.00 0.13 0.00 0.00 42.46 41.09 2yu3 s ILE 54 CO 0.00 0.47 1.05 0.26 -1.91 0.00 0.00 174.94 174.81 2yu3 s TRP 55 N 0.03 3.05 0.47 3.50 0.52 -1.26 -1.39 118.94 123.86 2yu3 s TRP 55 Ca -0.05 1.59 0.21 0.00 0.02 0.00 0.00 56.10 57.87 2yu3 s TRP 55 Cb -0.13 -3.12 1.22 0.00 -1.15 0.00 0.00 33.47 30.30 2yu3 s TRP 55 CO 0.03 -0.86 1.94 1.03 0.02 0.00 0.00 176.95 179.12 2yu3 h SER 56 N 1.83 0.21 0.66 2.95 0.87 -1.67 0.28 113.55 118.69 2yu3 h SER 56 Ca -0.49 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 59.96 2yu3 h SER 56 Cb 1.22 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 2yu3 h SER 56 CO 0.60 0.11 -0.59 -0.09 -0.53 0.00 0.00 176.83 176.33 2yu3 h ARG 57 N 0.22 0.00 0.03 2.24 2.43 -1.85 -2.42 114.38 115.04 2yu3 h ARG 57 Ca 0.34 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.51 2yu3 h ARG 57 Cb 1.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2yu3 h ARG 57 CO -0.07 0.59 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.52 2yu3 h ASP 58 N 0.00 -0.04 -0.23 -3.80 5.19 -0.87 -2.96 116.42 113.72 2yu3 h ASP 58 Ca -0.01 -0.21 0.07 0.00 -0.62 0.00 0.00 57.03 56.26 2yu3 h ASP 58 Cb 1.08 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 2yu3 h ASP 58 CO 0.08 0.56 0.26 1.62 -3.12 0.00 0.00 179.24 178.64 2yu3 h VAL 59 N -1.00 0.42 -0.00 -1.35 3.04 -1.20 -0.60 116.25 115.55 2yu3 h VAL 59 Ca -0.00 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.47 2yu3 h VAL 59 Cb 0.25 0.79 0.02 0.00 -2.01 0.00 0.00 31.29 30.33 2yu3 h VAL 59 CO 0.01 0.00 -0.84 -0.09 -1.01 0.00 0.00 177.57 175.64 2yu3 h ARG 60 N 0.00 0.57 0.07 4.17 2.43 -1.52 -2.15 114.38 117.96 2yu3 h ARG 60 Ca 0.11 -0.61 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 2yu3 h ARG 60 Cb 0.63 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2yu3 h ARG 60 CO -0.00 1.23 -0.03 -0.92 -1.51 0.00 0.00 179.97 178.73 2yu3 h TYR 61 N 0.17 -0.09 -0.15 2.20 3.20 -0.96 0.14 116.97 121.48 2yu3 h TYR 61 Ca -0.10 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 2yu3 h TYR 61 Cb 1.52 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.80 2yu3 h TYR 61 CO 0.12 0.17 -0.09 0.87 -1.64 0.00 0.00 178.16 177.60 2yu3 h LYS 62 N -0.34 0.23 0.00 1.82 1.57 -1.47 -1.91 116.57 116.48 2yu3 h LYS 62 Ca -0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2yu3 h LYS 62 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2yu3 h LYS 62 CO 0.02 0.33 -0.30 0.77 -0.57 0.00 0.00 179.45 179.70 2yu3 h SER 63 N 0.22 0.00 -2.02 0.86 0.02 -1.20 -3.47 113.55 107.96 2yu3 h SER 63 Ca 0.05 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.65 2yu3 h SER 63 Cb 0.30 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.79 2yu3 h SER 63 CO 0.02 0.30 -0.41 -3.20 -1.14 0.00 0.00 176.83 172.39 2yu3 n ASN 64 N -3.18 -5.13 -4.61 3.07 5.15 0.46 -4.99 115.26 106.02 2yu3 n ASN 64 Ca 0.03 0.11 -0.32 0.00 -0.60 0.00 0.00 54.58 53.80 2yu3 n ASN 64 Cb 0.64 -4.20 -0.10 0.00 -0.53 0.00 0.00 39.78 35.59 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 -4.74 3.22 0.66 1.20 1.43 -1.12 -5.06 118.68 114.27 2yu3 s LEU 65 Ca 0.00 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 2yu3 s LEU 65 Cb 0.00 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.39 2yu3 s LEU 65 CO 0.00 0.29 1.11 -2.16 0.23 0.00 0.00 176.35 175.82 2yu3 s PRO 66 N -1.36 2.79 0.38 1.29 0.04 -1.26 -4.74 135.00 132.15 2yu3 s PRO 66 Ca 0.17 1.39 0.14 0.00 0.04 0.00 0.00 61.00 62.73 2yu3 s PRO 66 Cb -0.11 -1.95 0.96 0.00 0.04 0.00 0.00 34.50 33.44 2yu3 s PRO 66 CO 0.07 -1.25 1.83 1.37 0.04 0.00 0.00 177.00 179.06 2yu3 h LEU 67 N 0.01 0.54 -1.94 -3.56 -0.00 -1.98 0.26 115.31 108.64 2yu3 h LEU 67 Ca -0.47 0.06 0.11 0.00 -0.00 0.00 0.00 57.88 57.58 2yu3 h LEU 67 Cb 1.25 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 2yu3 h LEU 67 CO 0.54 0.21 0.29 0.74 -0.00 0.00 0.00 178.44 180.22 2yu3 h THR 68 N 0.53 0.82 0.00 0.15 2.02 -1.99 0.22 112.91 114.67 2yu3 h THR 68 Ca 0.50 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.63 2yu3 h THR 68 Cb 1.07 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 2yu3 h THR 68 CO -0.24 0.01 -0.50 -0.33 0.37 0.00 0.00 175.52 174.84 2yu3 h GLU 69 N 0.06 0.00 -0.87 6.66 4.39 -0.87 -3.36 114.58 120.58 2yu3 h GLU 69 Ca 0.19 0.00 0.23 0.00 0.34 0.00 0.00 59.36 60.12 2yu3 h GLU 69 Cb 0.69 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 2yu3 h GLU 69 CO -0.01 0.14 0.60 0.82 -1.16 0.00 0.00 179.01 179.40 2yu3 h ILE 70 N -1.00 0.62 -0.60 3.13 1.08 -1.23 0.24 117.51 119.75 2yu3 h ILE 70 Ca -0.04 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 2yu3 h ILE 70 Cb 0.53 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 2yu3 h ILE 70 CO -0.03 0.04 0.40 0.78 -0.69 0.00 0.00 178.15 178.65 2yu3 h ASN 71 N 0.20 0.61 0.29 1.72 2.35 -0.73 0.17 115.58 120.19 2yu3 h ASN 71 Ca 0.44 -0.01 -0.34 0.00 -0.55 0.00 0.00 56.30 55.84 2yu3 h ASN 71 Cb 1.40 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 2yu3 h ASN 71 CO -0.10 0.42 -1.70 0.50 -1.65 0.00 0.00 177.43 174.91 2yu3 h LYS 72 N 0.71 0.32 0.64 0.81 3.64 -0.74 -3.25 116.57 118.71 2yu3 h LYS 72 Ca 0.24 -0.55 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 2yu3 h LYS 72 Cb 0.07 0.21 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2yu3 h LYS 72 CO -0.06 1.21 -0.31 0.82 -2.27 0.00 0.00 179.45 178.84 2yu3 h ILE 73 N 0.09 0.24 -0.87 2.00 2.04 -0.86 0.24 117.51 120.38 2yu3 h ILE 73 Ca -0.31 -0.27 0.21 0.00 1.00 0.00 0.00 64.86 65.48 2yu3 h ILE 73 Cb 2.07 0.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.39 2yu3 h ILE 73 CO 0.16 0.03 0.59 -0.07 0.00 0.00 0.00 178.15 178.86 2yu3 h LEU 74 N -1.07 0.31 0.01 1.44 3.38 -0.86 0.24 115.31 118.75 2yu3 h LEU 74 Ca -0.09 0.03 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 2yu3 h LEU 74 Cb 0.70 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2yu3 h LEU 74 CO 0.14 0.13 -1.03 0.50 0.09 0.00 0.00 178.44 178.27 2yu3 h LYS 75 N 0.31 0.02 0.86 1.13 3.11 -1.55 -3.22 116.57 117.23 2yu3 h LYS 75 Ca 0.45 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.21 2yu3 h LYS 75 Cb 1.25 0.01 0.01 0.00 -1.00 0.00 0.00 32.23 32.50 2yu3 h LYS 75 CO -0.14 1.01 -0.41 -0.97 -2.81 0.00 0.00 179.45 176.13 2yu3 h ASN 76 N 0.01 -0.97 -0.95 4.20 -0.73 0.29 -2.53 115.58 114.89 2yu3 h ASN 76 Ca -0.02 0.03 0.19 0.00 1.87 0.00 0.00 56.30 58.37 2yu3 h ASN 76 Cb 1.79 0.25 -0.08 0.00 0.27 0.00 0.00 38.32 40.55 2yu3 h ASN 76 CO 0.13 -0.64 0.61 -0.07 -0.37 0.00 0.00 177.43 177.10 2yu3 h LEU 77 N -1.27 0.57 0.46 0.34 3.38 -1.53 -1.73 115.31 115.52 2yu3 h LEU 77 Ca -0.12 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2yu3 h LEU 77 Cb 0.88 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 2yu3 h LEU 77 CO 0.19 0.22 -0.35 -0.08 0.09 0.00 0.00 178.44 178.52 2yu3 h GLU 78 N 0.57 -0.77 -0.76 1.13 4.22 -1.53 -2.16 114.58 115.29 2yu3 h GLU 78 Ca 0.51 0.05 0.08 0.00 0.08 0.00 0.00 59.36 60.09 2yu3 h GLU 78 Cb 1.04 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 30.41 2yu3 h GLU 78 CO -0.25 -0.51 0.50 1.03 -2.18 0.00 0.00 179.01 177.59 2yu3 h SER 79 N -0.79 0.66 0.52 1.04 0.87 -0.91 0.24 113.55 115.16 2yu3 h SER 79 Ca -0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2yu3 h SER 79 Cb 0.68 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2yu3 h SER 79 CO 0.00 0.41 0.00 0.29 -0.53 0.00 0.00 176.83 177.00 2yu3 n LYS 80 N -4.49 0.11 -2.78 2.24 5.02 -0.78 -4.86 118.16 112.62 2yu3 n LYS 80 Ca 0.12 0.40 -0.18 0.00 -2.02 0.00 0.00 58.31 56.63 2yu3 n LYS 80 Cb 0.28 -1.74 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 -1.96 -3.57 -0.06 1.97 4.81 0.84 -4.90 118.16 115.29 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 -5.29 -0.16 0.00 0.02 0.00 0.00 35.03 29.77 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 -3.21 0.06 -4.66 3.14 4.77 -1.05 -4.98 117.00 111.07 2yu3 n LEU 82 Ca -0.11 0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 2yu3 n LEU 82 Cb 0.61 0.28 -0.09 0.00 -2.33 0.00 0.00 43.42 41.89 2yu3 n LEU 82 CO 0.36 0.28 -0.26 0.27 -1.33 0.00 0.00 177.39 176.72 2yu3 s ILE 83 N -2.91 1.31 -0.06 -0.08 -4.36 -1.25 -1.28 121.20 112.57 2yu3 s ILE 83 Ca -0.09 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.29 2yu3 s ILE 83 Cb 0.09 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.36 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 -3.81 0.36 0.28 0.37 -2.85 0.65 -4.63 119.74 110.11 2yu3 s LYS 84 Ca 0.19 0.20 -0.28 0.00 -1.00 0.00 0.00 55.97 55.08 2yu3 s LYS 84 Cb 0.05 -0.79 -0.09 0.00 -2.06 0.00 0.00 37.83 34.93 2yu3 s LYS 84 CO 0.10 -0.31 0.98 0.00 0.10 0.00 0.00 175.35 176.23 2yu3 s ALA 85 N 2.01 3.30 -0.15 0.59 0.00 -1.26 -2.25 121.76 124.00 2yu3 s ALA 85 Ca 0.04 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 2yu3 s ALA 85 Cb -0.12 -3.23 0.04 0.00 0.00 0.00 0.00 23.12 19.80 2yu3 s ALA 85 CO -0.04 0.09 -0.04 0.14 0.00 0.00 0.00 175.76 175.90 2yu3 s VAL 86 N -1.33 0.95 0.57 0.00 -7.23 -0.91 -4.95 120.40 107.50 2yu3 s VAL 86 Ca 0.46 -0.46 -0.08 0.00 -1.81 0.00 0.00 61.98 60.08 2yu3 s VAL 86 Cb -0.25 -1.12 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 2yu3 s VAL 86 CO 0.31 0.16 0.94 -0.54 -0.31 0.00 0.00 175.10 175.66 2yu3 s LYS 87 N 1.71 3.46 0.30 4.82 1.02 -1.26 -2.55 119.74 127.24 2yu3 s LYS 87 Ca 0.02 0.46 -0.27 0.00 0.02 0.00 0.00 55.97 56.20 2yu3 s LYS 87 Cb -0.14 -2.20 -0.09 0.00 -0.52 0.00 0.00 37.83 34.87 2yu3 s LYS 87 CO -0.08 -0.49 0.99 0.45 -0.92 0.00 0.00 175.35 175.30 2yu3 s SER 88 N -4.18 7.32 0.56 2.83 0.15 -1.26 -4.91 113.70 114.20 2yu3 s SER 88 Ca 0.52 1.98 0.08 0.00 0.70 0.00 0.00 55.95 59.23 2yu3 s SER 88 Cb -0.11 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.67 2yu3 s SER 88 CO 0.50 -0.09 0.65 0.68 1.20 0.00 0.00 173.24 176.19 2yu3 s VAL 89 N -1.42 2.04 0.43 4.45 -7.23 -1.26 -5.03 120.40 112.37 2yu3 s VAL 89 Ca 0.48 -1.16 0.00 0.00 -1.81 0.00 0.00 61.98 59.49 2yu3 s VAL 89 Cb -0.24 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.51 2yu3 s VAL 89 CO 0.30 0.00 0.00 -0.24 -0.31 0.00 0.00 175.10 174.85 2yu3 n SER 90 N -2.06 -7.69 0.00 4.85 2.88 -1.26 -5.03 113.62 105.30 2yu3 n SER 90 Ca 0.10 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2yu3 n SER 90 Cb 0.62 -4.13 0.00 0.00 -0.75 0.00 0.00 64.21 59.95 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 -4.10 -1.78 3.77 0.46 0.00 -1.26 -4.99 105.19 97.29 2yu3 n GLY 91 Ca -0.03 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 2.24 0.46 1.61 0.04 -1.26 -5.08 135.00 133.02 2yu3 s PRO 92 Ca 0.00 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.22 2yu3 s PRO 92 Cb 0.00 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2yu3 s PRO 92 CO 0.00 -1.65 0.08 0.43 0.04 0.00 0.00 177.00 175.90 2yu3 n SER 93 N -3.53 3.11 -2.16 6.66 7.64 -1.26 -5.04 113.62 119.04 2yu3 n SER 93 Ca 0.09 -2.93 -0.22 0.00 1.01 0.00 0.00 58.87 56.83 2yu3 n SER 93 Cb 0.53 0.24 0.19 0.00 -1.01 0.00 0.00 64.21 64.16 2yu3 n SER 93 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yu3 n SER 94 N -1.41 3.77 0.00 6.43 7.64 -1.26 -5.20 113.62 123.59 2yu3 n SER 94 Ca -0.15 -3.59 0.00 0.00 1.01 0.00 0.00 58.87 56.14 2yu3 n SER 94 Cb 0.57 -0.82 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 2yu3 n SER 94 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64