#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 4.54 0.42 1.61 0.15 -1.26 -5.10 113.70 114.06 2yu0 s SER 2 Ca 0.00 -2.19 0.07 0.00 0.70 0.00 0.00 55.95 54.53 2yu0 s SER 2 Cb 0.00 -1.47 -0.06 0.00 -1.71 0.00 0.00 66.02 62.78 2yu0 s SER 2 CO 0.00 -0.36 0.15 -0.44 1.20 0.00 0.00 173.24 173.79 2yu0 s SER 3 N 0.86 4.32 0.00 5.45 0.01 -1.26 -5.07 113.70 118.01 2yu0 s SER 3 Ca 0.12 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 56.23 2yu0 s SER 3 Cb -0.20 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.60 2yu0 s SER 3 CO -0.10 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.62 2yu0 n GLY 4 N -1.20 -0.52 3.83 3.44 0.00 -1.26 -5.03 105.19 104.45 2yu0 n GLY 4 Ca -0.02 0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2yu0 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu0 n SER 5 N 0.00 -3.44 -4.03 1.61 7.64 -1.26 -4.92 113.62 109.22 2yu0 n SER 5 Ca 0.00 -0.79 -0.35 0.00 1.01 0.00 0.00 58.87 58.74 2yu0 n SER 5 Cb 0.00 -3.96 -0.07 0.00 -1.01 0.00 0.00 64.21 59.17 2yu0 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yu0 n SER 6 N -2.92 4.21 -2.92 6.43 7.64 -1.26 -4.91 113.62 119.89 2yu0 n SER 6 Ca -0.09 -3.18 -0.26 0.00 1.01 0.00 0.00 58.87 56.35 2yu0 n SER 6 Cb 0.59 -1.01 -0.03 0.00 -1.01 0.00 0.00 64.21 62.74 2yu0 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 7 N 2.10 5.37 3.64 0.23 0.00 -1.26 -5.05 105.19 110.21 2yu0 n GLY 7 Ca 0.23 -2.64 -0.35 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 -4.33 4.83 0.08 -0.61 1.01 -1.26 -5.07 121.20 115.85 2yu0 s ILE 8 Ca 0.48 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 61.16 2yu0 s ILE 8 Cb 0.30 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.55 2yu0 s ILE 8 CO -0.14 0.45 -0.07 0.54 0.00 0.00 0.00 174.94 175.73 2yu0 s VAL 9 N 0.42 3.59 0.57 2.92 0.11 -1.26 -4.98 120.40 121.78 2yu0 s VAL 9 Ca 0.04 -1.10 0.43 0.00 -2.93 0.00 0.00 61.98 58.42 2yu0 s VAL 9 Cb -0.12 -2.67 0.64 0.00 -1.53 0.00 0.00 36.38 32.70 2yu0 s VAL 9 CO 0.00 0.17 1.49 -0.07 -3.33 0.00 0.00 175.10 173.36 2yu0 h LEU 10 N 3.75 0.00 -0.13 2.54 4.07 -1.98 1.65 115.31 125.21 2yu0 h LEU 10 Ca -0.48 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.31 2yu0 h LEU 10 Cb 1.17 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.91 2yu0 h LEU 10 CO 0.54 0.00 -0.58 0.25 -1.08 0.00 0.00 178.44 177.57 2yu0 h LEU 11 N 0.00 0.74 -1.39 1.67 6.46 -1.93 -3.12 115.31 117.73 2yu0 h LEU 11 Ca 0.81 -0.63 0.24 0.00 -0.12 0.00 0.00 57.88 58.18 2yu0 h LEU 11 Cb 3.54 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 43.22 2yu0 h LEU 11 CO -0.01 1.25 0.96 0.03 -0.62 0.00 0.00 178.44 180.05 2yu0 h ARG 12 N 0.28 0.00 -0.49 1.25 2.47 0.21 0.14 114.38 118.23 2yu0 h ARG 12 Ca -0.04 0.00 0.14 0.00 -1.26 0.00 0.00 59.98 58.83 2yu0 h ARG 12 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.52 2yu0 h ARG 12 CO 0.12 0.00 0.71 0.78 0.56 0.00 0.00 179.97 182.14 2yu0 h GLY 13 N 0.00 0.00 0.00 0.04 0.00 -1.58 -0.41 103.07 101.13 2yu0 h GLY 13 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2yu0 h GLY 13 CO -0.00 0.00 -0.06 1.41 0.00 0.00 0.00 176.54 177.89 2yu0 h LEU 14 N 0.00 0.00 -1.85 3.11 3.38 -0.99 -3.35 115.31 115.61 2yu0 h LEU 14 Ca 0.23 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.52 2yu0 h LEU 14 Cb 1.64 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.34 2yu0 h LEU 14 CO -0.00 0.31 0.79 -0.33 0.09 0.00 0.00 178.44 179.29 2yu0 h GLU 15 N -0.56 0.09 -0.29 1.13 5.08 -1.58 -0.12 114.58 118.32 2yu0 h GLU 15 Ca 0.00 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2yu0 h GLU 15 Cb 0.06 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2yu0 h GLU 15 CO 0.00 0.06 -0.14 0.00 -1.00 0.00 0.00 179.01 177.93 2yu0 s ILE 17 N -6.17 3.97 0.34 0.00 -4.36 -0.06 -5.03 121.20 109.89 2yu0 s ILE 17 Ca -0.14 1.18 -0.26 0.00 -0.26 0.00 0.00 60.65 61.18 2yu0 s ILE 17 Cb 0.13 -3.49 -0.10 0.00 1.25 0.00 0.00 42.46 40.24 2yu0 s ILE 17 CO 0.69 -0.31 0.95 0.20 0.24 0.00 0.00 174.94 176.71 2yu0 s ASN 18 N -2.17 7.29 0.25 4.36 0.01 -1.26 -4.78 114.94 118.65 2yu0 s ASN 18 Ca 0.65 1.82 0.08 0.00 -0.71 0.00 0.00 52.86 54.71 2yu0 s ASN 18 Cb -0.14 -2.58 0.78 0.00 0.41 0.00 0.00 41.25 39.72 2yu0 s ASN 18 CO 0.21 -0.10 1.17 0.29 -1.51 0.00 0.00 177.10 177.15 2yu0 n LYS 19 N 0.43 -0.05 -0.26 -0.60 4.76 -1.26 -0.21 118.16 120.96 2yu0 n LYS 19 Ca 0.03 1.07 -0.09 0.00 -2.87 0.00 0.00 58.31 56.44 2yu0 n LYS 19 Cb 0.50 -1.80 -0.07 0.00 -1.84 0.00 0.00 35.03 31.82 2yu0 n LYS 19 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2yu0 h HIS 20 N 0.00 -1.38 -0.33 2.13 -0.00 -2.01 0.42 115.15 113.98 2yu0 h HIS 20 Ca 0.54 0.09 -0.12 0.00 -0.00 0.00 0.00 60.37 60.88 2yu0 h HIS 20 Cb 1.29 0.68 -0.01 0.00 -0.00 0.00 0.00 27.41 29.38 2yu0 h HIS 20 CO -0.19 -0.30 -0.26 1.88 -0.00 0.00 0.00 177.93 179.06 2yu0 h TYR 21 N -0.07 0.89 -1.02 5.26 0.05 -0.96 -3.09 116.97 118.02 2yu0 h TYR 21 Ca 0.10 -0.25 0.32 0.00 0.05 0.00 0.00 58.73 58.96 2yu0 h TYR 21 Cb 0.34 -0.19 -0.14 0.00 1.01 0.00 0.00 36.73 37.74 2yu0 h TYR 21 CO -0.93 1.00 0.59 0.35 -1.05 0.00 0.00 178.16 178.13 2yu0 h PHE 22 N 0.52 0.90 -0.76 4.88 3.57 -0.29 0.83 116.94 126.59 2yu0 h PHE 22 Ca 0.06 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.69 2yu0 h PHE 22 Cb 0.82 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2yu0 h PHE 22 CO 0.07 -0.16 0.50 1.03 -2.23 0.00 0.00 178.31 177.51 2yu0 h SER 23 N 0.32 0.61 -0.06 0.41 0.87 -0.88 -2.07 113.55 112.76 2yu0 h SER 23 Ca 0.73 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 61.27 2yu0 h SER 23 Cb 1.71 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2yu0 h SER 23 CO -0.58 0.37 -0.11 -0.07 -0.53 0.00 0.00 176.83 175.91 2yu0 h LEU 24 N 0.68 0.19 -0.60 2.23 4.07 0.54 -3.01 115.31 119.41 2yu0 h LEU 24 Ca 0.35 -0.56 0.12 0.00 0.08 0.00 0.00 57.88 57.87 2yu0 h LEU 24 Cb 0.45 -0.05 -0.09 0.00 1.08 0.00 0.00 40.66 42.05 2yu0 h LEU 24 CO -0.13 0.71 0.08 0.15 -1.08 0.00 0.00 178.44 178.18 2yu0 h PHE 25 N -0.33 0.11 -0.91 1.13 3.57 -1.04 -0.01 116.94 119.47 2yu0 h PHE 25 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 2yu0 h PHE 25 Cb 0.68 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 2yu0 h PHE 25 CO 0.11 -0.08 0.59 0.87 -2.23 0.00 0.00 178.31 177.57 2yu0 h LYS 26 N 0.20 1.09 -0.72 1.11 1.57 -1.43 -1.09 116.57 117.31 2yu0 h LYS 26 Ca 0.32 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 2yu0 h LYS 26 Cb 0.49 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 2yu0 h LYS 26 CO -0.45 0.72 0.43 0.77 -0.57 0.00 0.00 179.45 180.35 2yu0 h SER 27 N 1.13 0.87 -0.44 0.86 0.02 -0.89 1.26 113.55 116.35 2yu0 h SER 27 Ca 0.37 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.18 2yu0 h SER 27 Cb 0.04 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2yu0 h SER 27 CO -0.13 0.68 0.01 -0.07 -1.14 0.00 0.00 176.83 176.17 2yu0 h LEU 28 N 0.98 0.76 -0.04 5.07 3.38 -0.65 -2.87 115.31 121.95 2yu0 h LEU 28 Ca 0.26 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2yu0 h LEU 28 Cb -0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 2yu0 h LEU 28 CO -0.05 0.88 -0.13 -0.07 0.09 0.00 0.00 178.44 179.17 2yu0 h LEU 29 N 0.63 0.00 -0.72 1.67 -0.00 -0.91 -3.35 115.31 112.62 2yu0 h LEU 29 Ca 0.13 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 58.11 2yu0 h LEU 29 Cb 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 40.66 41.03 2yu0 h LEU 29 CO 0.02 0.13 -0.30 0.00 -0.00 0.00 0.00 178.44 178.29 2yu0 n ALA 30 N -2.13 -0.14 0.03 1.53 0.00 0.43 0.67 120.51 120.91 2yu0 n ALA 30 Ca 0.03 0.71 -0.11 0.00 0.00 0.00 0.00 53.44 54.07 2yu0 n ALA 30 Cb 0.58 -0.29 -0.07 0.00 0.00 0.00 0.00 19.45 19.66 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 -0.46 0.77 0.00 0.11 -1.74 1.98 114.38 115.04 2yu0 h ARG 31 Ca 0.23 0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.31 2yu0 h ARG 31 Cb 0.41 0.10 0.01 0.00 1.11 0.00 0.00 29.97 31.61 2yu0 h ARG 31 CO -0.71 -0.31 -0.37 -0.44 0.10 0.00 0.00 179.97 178.24 2yu0 h ASP 32 N -0.48 -0.87 0.00 0.08 5.19 -0.93 -2.20 116.42 117.21 2yu0 h ASP 32 Ca 0.01 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 2yu0 h ASP 32 Cb 0.52 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.26 2yu0 h ASP 32 CO -0.27 -0.61 0.03 0.18 -3.12 0.00 0.00 179.24 175.45 2yu0 n LEU 33 N -4.86 0.09 -2.71 1.55 4.77 0.21 -4.79 117.00 111.27 2yu0 n LEU 33 Ca -0.13 0.52 -0.18 0.00 -0.03 0.00 0.00 56.01 56.18 2yu0 n LEU 33 Cb 0.41 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2yu0 n LEU 33 CO 0.31 -0.55 -0.13 0.59 -1.33 0.00 0.00 177.39 176.28 2yu0 n ASN 34 N -1.60 -4.85 -3.31 -1.43 4.13 0.66 -4.94 115.26 103.92 2yu0 n ASN 34 Ca -0.00 -0.06 -0.17 0.00 1.68 0.00 0.00 54.58 56.03 2yu0 n ASN 34 Cb 0.03 -4.03 0.17 0.00 -1.54 0.00 0.00 39.78 34.41 2yu0 n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2yu0 n LEU 35 N -3.28 0.00 -4.85 3.41 4.77 -0.32 -4.99 117.00 111.75 2yu0 n LEU 35 Ca -0.14 -0.49 -0.30 0.00 -0.03 0.00 0.00 56.01 55.05 2yu0 n LEU 35 Cb 0.62 -0.68 0.17 0.00 -2.33 0.00 0.00 43.42 41.20 2yu0 n LEU 35 CO 0.32 -2.36 0.79 -1.61 -1.33 0.00 0.00 177.39 173.21 2yu0 s GLU 36 N -3.73 0.64 -0.15 3.23 8.01 -1.26 -4.94 118.70 120.49 2yu0 s GLU 36 Ca 0.38 -0.15 -0.26 0.00 0.01 0.00 0.00 54.97 54.95 2yu0 s GLU 36 Cb -0.07 -1.82 -0.24 0.00 -4.31 0.00 0.00 34.13 27.69 2yu0 s GLU 36 CO 0.31 -2.45 0.60 0.00 0.01 0.00 0.00 175.26 173.73 2yu0 h ARG 37 N -1.67 0.03 0.00 1.61 2.47 -2.01 -3.41 114.38 111.40 2yu0 h ARG 37 Ca -0.46 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2yu0 h ARG 37 Cb 1.28 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2yu0 h ARG 37 CO 0.46 1.03 -0.87 -0.25 0.56 0.00 0.00 179.97 180.90 2yu0 n ASP 38 N -4.48 3.01 -1.63 7.04 8.00 -1.26 -4.64 116.55 122.59 2yu0 n ASP 38 Ca -0.18 -0.17 -0.10 0.00 0.71 0.00 0.00 54.79 55.05 2yu0 n ASP 38 Cb 0.59 1.12 0.04 0.00 -0.02 0.00 0.00 41.12 42.84 2yu0 n ASP 38 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2yu0 n ASN 39 N -1.47 5.08 0.07 -2.24 5.03 -1.26 -4.13 115.26 116.33 2yu0 n ASN 39 Ca -0.00 -2.73 -0.18 0.00 0.87 0.00 0.00 54.58 52.53 2yu0 n ASN 39 Cb 0.08 -0.91 -0.14 0.00 -1.02 0.00 0.00 39.78 37.79 2yu0 n ASN 39 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2yu0 h GLN 40 N 0.96 0.29 -0.00 3.52 4.20 -1.82 -3.36 115.11 118.89 2yu0 h GLN 40 Ca 0.20 -0.49 -0.25 0.00 0.06 0.00 0.00 58.65 58.18 2yu0 h GLN 40 Cb 1.18 0.18 0.01 0.00 0.30 0.00 0.00 27.48 29.15 2yu0 h GLN 40 CO 0.46 1.16 -0.99 1.49 -0.67 0.00 0.00 178.83 180.28 2yu0 h GLU 41 N 0.08 0.57 0.00 1.46 4.81 -1.95 -3.11 114.58 116.44 2yu0 h GLU 41 Ca -0.26 -0.61 0.00 0.00 -0.13 0.00 0.00 59.36 58.37 2yu0 h GLU 41 Cb 2.04 0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.59 2yu0 h GLU 41 CO 0.17 1.22 0.22 -0.56 -0.73 0.00 0.00 179.01 179.33 2yu0 h GLN 42 N 0.32 0.00 -7.51 1.92 3.07 -1.84 -3.41 115.11 107.66 2yu0 h GLN 42 Ca -0.10 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.16 2yu0 h GLN 42 Cb 1.63 0.00 0.11 0.00 0.08 0.00 0.00 27.48 29.30 2yu0 h GLN 42 CO 0.18 0.00 0.35 0.71 0.09 0.00 0.00 178.83 180.16 2yu0 s TYR 43 N -3.44 2.80 0.26 0.06 2.02 -1.18 -5.09 117.35 112.77 2yu0 s TYR 43 Ca -0.02 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.60 2yu0 s TYR 43 Cb 0.05 -3.32 0.00 0.00 -0.40 0.00 0.00 41.96 38.29 2yu0 s TYR 43 CO 0.15 -1.94 0.01 0.25 -1.57 0.00 0.00 175.55 172.45 2yu0 n THR 44 N -3.48 0.00 0.18 -0.71 -2.24 -1.26 -5.04 114.28 101.73 2yu0 n THR 44 Ca 0.07 -1.20 0.07 0.00 -2.27 0.00 0.00 64.05 60.72 2yu0 n THR 44 Cb 0.59 0.23 0.16 0.00 -2.10 0.00 0.00 70.33 69.20 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 1.11 0.51 0.00 4.28 1.35 -1.98 -3.29 112.91 114.89 2yu0 h THR 45 Ca -0.21 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.04 2yu0 h THR 45 Cb 0.64 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2yu0 h THR 45 CO 0.35 0.28 0.00 -0.38 -0.25 0.00 0.00 175.52 175.52 2yu0 n ILE 46 N -3.20 0.00 -0.27 6.82 5.41 -1.26 -2.53 119.36 124.32 2yu0 n ILE 46 Ca 0.02 0.58 -0.02 0.00 1.00 0.00 0.00 62.75 64.33 2yu0 n ILE 46 Cb 0.61 -1.57 0.01 0.00 -0.71 0.00 0.00 39.64 37.98 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 -1.99 -0.19 -0.26 0.38 6.02 -1.26 0.20 117.38 120.27 2yu0 n GLN 47 Ca 0.00 1.06 -0.05 0.00 -0.01 0.00 0.00 57.00 58.01 2yu0 n GLN 47 Cb 0.00 -1.58 0.06 0.00 1.02 0.00 0.00 30.24 29.74 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 1.19 0.09 5.09 1.08 -1.73 -2.74 117.51 120.49 2yu0 h ILE 48 Ca 0.21 -0.35 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 2yu0 h ILE 48 Cb 0.39 0.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 2yu0 h ILE 48 CO -0.68 0.18 -0.36 0.00 -0.69 0.00 0.00 178.15 176.61 2yu0 h ALA 49 N 1.26 -0.86 -0.16 1.87 0.00 0.26 -1.33 119.26 120.30 2yu0 h ALA 49 Ca 0.26 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.12 2yu0 h ALA 49 Cb -0.10 0.75 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 2yu0 h ALA 49 CO -0.06 -0.95 -0.40 -0.91 0.00 0.00 0.00 179.25 176.94 2yu0 h ASN 50 N -0.51 -1.29 -0.98 0.00 2.35 -1.25 0.93 115.58 114.81 2yu0 h ASN 50 Ca -0.01 0.16 0.34 0.00 -0.55 0.00 0.00 56.30 56.24 2yu0 h ASN 50 Cb 0.51 0.51 -0.17 0.00 0.05 0.00 0.00 38.32 39.22 2yu0 h ASN 50 CO -0.19 -0.33 0.32 0.24 -1.65 0.00 0.00 177.43 175.82 2yu0 h MET 51 N -0.38 0.05 -0.04 0.81 2.86 -1.37 0.39 114.93 117.25 2yu0 h MET 51 Ca 0.03 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2yu0 h MET 51 Cb 0.48 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 2yu0 h MET 51 CO -0.36 0.04 -0.01 0.52 1.06 0.00 0.00 176.91 178.16 2yu0 h MET 52 N 0.06 0.07 -0.88 1.72 2.86 0.15 0.24 114.93 119.15 2yu0 h MET 52 Ca 0.72 -0.03 0.23 0.00 -2.06 0.00 0.00 59.70 58.56 2yu0 h MET 52 Cb 1.70 -0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.22 2yu0 h MET 52 CO -0.80 0.43 0.27 0.93 1.06 0.00 0.00 176.91 178.81 2yu0 h GLU 53 N -0.29 0.23 0.12 1.72 4.39 0.20 0.11 114.58 121.06 2yu0 h GLU 53 Ca 0.01 -0.01 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 2yu0 h GLU 53 Cb 0.41 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2yu0 h GLU 53 CO 0.00 0.15 -0.90 0.93 -1.16 0.00 0.00 179.01 178.04 2yu0 h GLU 54 N 0.24 0.25 -0.00 2.33 5.08 -1.32 -3.29 114.58 117.87 2yu0 h GLU 54 Ca 0.56 -0.43 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 2yu0 h GLU 54 Cb 1.12 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 2yu0 h GLU 54 CO -0.63 1.21 -0.31 -0.22 -1.00 0.00 0.00 179.01 178.06 2yu0 h LYS 55 N -0.43 -0.37 -3.44 2.33 1.63 0.66 -3.29 116.57 113.66 2yu0 h LYS 55 Ca -0.17 0.03 -0.72 0.00 -0.85 0.00 0.00 60.65 58.93 2yu0 h LYS 55 Cb 1.61 0.08 -0.34 0.00 -0.60 0.00 0.00 32.23 32.98 2yu0 h LYS 55 CO 0.11 -0.25 -0.07 -0.06 -3.45 0.00 0.00 179.45 175.73 2yu0 s PHE 56 N -4.56 3.82 -2.00 1.91 0.08 0.26 -4.88 117.98 112.60 2yu0 s PHE 56 Ca -0.09 -2.83 0.12 0.00 0.12 0.00 0.00 56.93 54.24 2yu0 s PHE 56 Cb 0.04 -3.35 0.70 0.00 -0.57 0.00 0.00 43.02 39.84 2yu0 s PHE 56 CO 0.35 -0.81 1.13 -0.35 -0.10 0.00 0.00 175.22 175.44 2yu0 n PRO 57 N 2.77 0.49 -0.09 0.24 -0.04 -1.24 0.12 135.00 137.25 2yu0 n PRO 57 Ca 0.18 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.48 2yu0 n PRO 57 Cb 0.38 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2yu0 n PRO 57 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 h ALA 58 N 2.73 0.17 -0.00 0.55 0.00 -1.90 -3.42 119.26 117.40 2yu0 h ALA 58 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2yu0 h ALA 58 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2yu0 h ALA 58 CO 0.00 0.58 -0.02 -0.25 0.00 0.00 0.00 179.25 179.56 2yu0 n ASP 59 N -4.50 0.89 -1.94 0.00 9.92 -1.18 -4.99 116.55 114.76 2yu0 n ASP 59 Ca -0.24 -0.95 -0.15 0.00 -0.53 0.00 0.00 54.79 52.93 2yu0 n ASP 59 Cb 0.55 0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 41.23 2yu0 n ASP 59 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2yu0 n SER 60 N -0.17 -4.16 0.00 -2.24 7.64 0.33 0.18 113.62 115.21 2yu0 n SER 60 Ca 0.01 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.14 2yu0 n SER 60 Cb 0.04 -3.65 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 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 -0.57 3.31 0.39 0.23 0.00 -1.26 -4.32 105.19 102.96 2yu0 n GLY 61 Ca -0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.84 0.22 0.99 7.94 0.13 -0.46 117.00 124.98 2yu0 n LEU 62 Ca 0.00 1.69 -0.09 0.00 -1.11 0.00 0.00 56.01 56.50 2yu0 n LEU 62 Cb 0.00 -0.29 -0.05 0.00 0.53 0.00 0.00 43.42 43.61 2yu0 n LEU 62 CO 0.00 -1.44 0.52 1.23 -1.11 0.00 0.00 177.39 176.59 2yu0 h GLY 63 N 0.00 -0.72 -1.20 -3.96 0.00 -1.93 -0.32 103.07 94.94 2yu0 h GLY 63 Ca 0.23 0.28 0.45 0.00 0.00 0.00 0.00 47.33 48.30 2yu0 h GLY 63 CO -0.92 -0.25 0.72 1.70 0.00 0.00 0.00 176.54 177.78 2yu0 h LYS 64 N -0.59 0.00 0.34 4.80 1.63 -1.78 -0.00 116.57 120.96 2yu0 h LYS 64 Ca -0.06 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2yu0 h LYS 64 Cb 0.46 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2yu0 h LYS 64 CO 0.08 0.00 -0.16 1.25 -3.45 0.00 0.00 179.45 177.17 2yu0 h LEU 65 N 0.00 -0.38 -0.79 5.20 7.12 -0.46 -3.06 115.31 122.94 2yu0 h LEU 65 Ca 0.87 0.01 0.13 0.00 0.13 0.00 0.00 57.88 59.02 2yu0 h LEU 65 Cb 2.56 0.10 -0.13 0.00 -0.53 0.00 0.00 40.66 42.66 2yu0 h LEU 65 CO -0.62 -0.07 -0.29 -0.38 -0.13 0.00 0.00 178.44 176.95 2yu0 n ILE 66 N -4.34 -0.40 0.04 4.05 5.41 -0.07 0.44 119.36 124.49 2yu0 n ILE 66 Ca -0.06 1.83 -0.11 0.00 1.00 0.00 0.00 62.75 65.41 2yu0 n ILE 66 Cb 0.18 -2.44 -0.04 0.00 -0.71 0.00 0.00 39.64 36.62 2yu0 n ILE 66 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2yu0 h GLU 67 N 0.00 -0.39 -1.00 0.38 5.08 -1.49 -1.20 114.58 115.96 2yu0 h GLU 67 Ca 0.29 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 59.01 2yu0 h GLU 67 Cb 0.49 0.09 -0.15 0.00 0.50 0.00 0.00 28.75 29.67 2yu0 h GLU 67 CO -0.78 -0.26 0.55 0.35 -1.00 0.00 0.00 179.01 177.87 2yu0 h PHE 68 N -0.41 0.89 -0.08 4.33 3.57 0.10 0.23 116.94 125.58 2yu0 h PHE 68 Ca 0.07 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2yu0 h PHE 68 Cb 0.51 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2yu0 h PHE 68 CO -0.33 -0.22 -0.04 0.00 -2.23 0.00 0.00 178.31 175.50 2yu0 h GLU 70 N -0.19 0.01 -0.45 0.00 5.08 0.19 0.58 114.58 119.81 2yu0 h GLU 70 Ca 0.02 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2yu0 h GLU 70 Cb 0.48 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 2yu0 h GLU 70 CO 0.01 0.01 0.27 0.93 -1.00 0.00 0.00 179.01 179.23 2yu0 h GLU 71 N 0.01 0.53 -5.95 2.33 4.39 -1.50 -3.40 114.58 110.99 2yu0 h GLU 71 Ca 0.52 -0.03 -0.59 0.00 0.34 0.00 0.00 59.36 59.61 2yu0 h GLU 71 Cb 0.95 -0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 29.41 2yu0 h GLU 71 CO -0.95 0.35 0.60 0.08 -1.16 0.00 0.00 179.01 177.93 2yu0 s VAL 72 N -6.15 4.78 -1.94 3.13 1.01 0.20 -4.91 120.40 116.52 2yu0 s VAL 72 Ca -0.13 1.79 0.16 0.00 0.00 0.00 0.00 61.98 63.79 2yu0 s VAL 72 Cb 0.12 -4.21 0.43 0.00 0.00 0.00 0.00 36.38 32.72 2yu0 s VAL 72 CO 0.73 -0.10 1.35 -0.81 0.00 0.00 0.00 175.10 176.27 2yu0 n PRO 73 N 5.99 0.46 -0.00 2.72 -0.04 -1.26 -1.90 135.00 140.97 2yu0 n PRO 73 Ca 0.08 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.64 2yu0 n PRO 73 Cb 0.47 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 2yu0 n PRO 73 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yu0 n ALA 74 N -1.03 3.66 0.38 0.55 0.00 -1.26 -4.38 120.51 118.43 2yu0 n ALA 74 Ca 0.11 -0.47 0.04 0.00 0.00 0.00 0.00 53.44 53.13 2yu0 n ALA 74 Cb 0.06 -0.63 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.69 0.38 -0.14 0.00 4.77 -0.80 -4.63 117.00 114.90 2yu0 n LEU 75 Ca 0.01 -0.44 -0.04 0.00 -0.03 0.00 0.00 56.01 55.51 2yu0 n LEU 75 Cb 0.35 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2yu0 n LEU 75 CO 0.37 0.10 0.81 0.03 -1.33 0.00 0.00 177.39 177.37 2yu0 h ARG 76 N 0.00 0.05 -0.77 3.23 3.08 -1.46 0.21 114.38 118.72 2yu0 h ARG 76 Ca 0.00 -0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.27 2yu0 h ARG 76 Cb 0.25 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2yu0 h ARG 76 CO 0.00 0.04 0.56 -0.22 -1.07 0.00 0.00 179.97 179.27 2yu0 h LYS 77 N 0.06 0.00 0.17 0.04 3.64 -1.85 -0.59 116.57 118.04 2yu0 h LYS 77 Ca 0.22 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.27 2yu0 h LYS 77 Cb 0.33 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2yu0 h LYS 77 CO -0.41 0.00 -1.59 -0.09 -2.27 0.00 0.00 179.45 175.09 2yu0 h ARG 78 N 0.00 0.37 -0.47 1.90 9.65 -1.02 -3.34 114.38 121.46 2yu0 h ARG 78 Ca 0.37 -0.62 0.08 0.00 -1.10 0.00 0.00 59.98 58.70 2yu0 h ARG 78 Cb 1.48 0.23 -0.10 0.00 -1.39 0.00 0.00 29.97 30.19 2yu0 h ARG 78 CO -0.00 1.30 -0.41 0.00 2.80 0.00 0.00 179.97 183.65 2yu0 h ALA 79 N 0.07 -0.34 -0.94 2.80 0.00 0.78 0.23 119.26 121.86 2yu0 h ALA 79 Ca -0.32 0.09 0.15 0.00 0.00 0.00 0.00 54.91 54.84 2yu0 h ALA 79 Cb 1.99 0.88 -0.08 0.00 0.00 0.00 0.00 17.79 20.59 2yu0 h ALA 79 CO 0.15 -0.82 0.60 1.05 0.00 0.00 0.00 179.25 180.23 2yu0 h GLU 80 N -0.27 0.71 -0.63 0.00 -0.00 -1.66 -0.24 114.58 112.49 2yu0 h GLU 80 Ca 0.16 -0.04 -0.08 0.00 -0.00 0.00 0.00 59.36 59.40 2yu0 h GLU 80 Cb 0.57 -0.16 -0.02 0.00 -0.00 0.00 0.00 28.75 29.14 2yu0 h GLU 80 CO -0.61 0.47 0.06 0.82 -0.00 0.00 0.00 179.01 179.75 2yu0 h ILE 81 N 0.73 1.26 0.00 -1.06 2.04 -0.76 -1.97 117.51 117.76 2yu0 h ILE 81 Ca 0.48 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 65.27 2yu0 h ILE 81 Cb 0.76 0.71 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2yu0 h ILE 81 CO -0.24 0.40 0.00 -0.07 0.00 0.00 0.00 178.15 178.23 2yu0 h LEU 82 N 0.98 0.00 0.07 1.44 3.38 0.73 -2.42 115.31 119.49 2yu0 h LEU 82 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.82 2yu0 h LEU 82 Cb 0.48 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2yu0 h LEU 82 CO 0.02 0.00 -1.92 0.29 0.09 0.00 0.00 178.44 176.92 2yu0 n LYS 83 N -2.48 0.70 -0.01 1.13 5.02 -0.80 -2.96 118.16 118.76 2yu0 n LYS 83 Ca 0.00 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.46 2yu0 n LYS 83 Cb 0.16 -1.73 -0.04 0.00 -0.02 0.00 0.00 35.03 33.41 2yu0 n LYS 83 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2yu0 h LYS 84 N 0.04 -0.07 -0.00 1.97 3.64 -0.89 -2.42 116.57 118.84 2yu0 h LYS 84 Ca -0.38 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.83 2yu0 h LYS 84 Cb 2.03 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.84 2yu0 h LYS 84 CO 0.08 -0.04 -0.80 1.05 -2.27 0.00 0.00 179.45 177.46 2yu0 h GLU 85 N -0.07 0.03 -0.67 1.90 4.11 -1.72 -3.28 114.58 114.87 2yu0 h GLU 85 Ca 0.08 -0.03 0.13 0.00 0.07 0.00 0.00 59.36 59.61 2yu0 h GLU 85 Cb 0.18 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 29.31 2yu0 h GLU 85 CO -0.18 0.81 -0.21 -0.09 0.07 0.00 0.00 179.01 179.41 2yu0 h ARG 86 N 0.02 -0.04 -4.66 1.06 2.43 -1.32 -3.42 114.38 108.44 2yu0 h ARG 86 Ca -0.01 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.65 2yu0 h ARG 86 Cb 1.40 0.01 0.10 0.00 -0.42 0.00 0.00 29.97 31.06 2yu0 h ARG 86 CO 0.11 -0.02 -0.51 -1.13 -1.51 0.00 0.00 179.97 176.90 2yu0 n SER 87 N -5.46 -1.37 -0.05 -3.80 3.41 -1.14 -4.90 113.62 100.31 2yu0 n SER 87 Ca 0.08 0.80 -0.21 0.00 -0.26 0.00 0.00 58.87 59.28 2yu0 n SER 87 Cb 0.36 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.46 2yu0 n SER 87 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2yu0 n GLU 88 N 0.86 0.70 -0.00 4.33 0.28 -1.26 -4.65 120.64 120.90 2yu0 n GLU 88 Ca 0.12 0.29 0.01 0.00 -0.16 0.00 0.00 57.16 57.42 2yu0 n GLU 88 Cb 0.23 -1.66 -0.02 0.00 1.43 0.00 0.00 31.44 31.42 2yu0 n GLU 88 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2yu0 n SER 89 N -3.64 4.37 0.00 -1.84 7.64 -1.26 -5.14 113.62 113.76 2yu0 n SER 89 Ca -0.36 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2yu0 n SER 89 Cb 0.97 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 65.21 2yu0 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yu0 n GLY 90 N 2.42 0.75 0.00 0.23 0.00 -1.26 -4.76 105.19 102.57 2yu0 n GLY 90 Ca -0.01 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 44.07 2yu0 n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yu0 n PRO 91 N 0.00 0.49 -1.09 1.61 -0.04 -1.26 -4.88 135.00 129.82 2yu0 n PRO 91 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2yu0 n PRO 91 Cb 0.00 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.00 2yu0 n PRO 91 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yu0 n SER 92 N -0.92 -0.56 -4.55 3.54 7.64 -1.26 -4.81 113.62 112.69 2yu0 n SER 92 Ca 0.10 0.86 -0.34 0.00 1.01 0.00 0.00 58.87 60.51 2yu0 n SER 92 Cb 0.05 -0.71 0.11 0.00 -1.01 0.00 0.00 64.21 62.65 2yu0 n SER 92 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yu0 n SER 93 N 1.36 -0.50 0.00 6.43 2.88 -1.26 -5.11 113.62 117.41 2yu0 n SER 93 Ca 0.14 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.18 2yu0 n SER 93 Cb 0.14 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.25 2yu0 n SER 93 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42