#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yv7 h TRP 3 N 0.00 1.16 -0.62 2.11 -0.00 -1.90 -1.43 115.95 115.27 1yv7 h TRP 3 Ca 0.00 0.02 -0.08 0.00 -0.00 0.00 0.00 58.89 58.83 1yv7 h TRP 3 Cb 0.00 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 28.75 1yv7 h TRP 3 CO 0.00 0.75 0.08 1.25 -0.00 0.00 0.00 178.44 180.52 1yv7 h LEU 4 N 1.24 0.99 -0.18 0.65 6.46 -2.00 -1.03 115.31 121.44 1yv7 h LEU 4 Ca 0.33 -0.23 -0.22 0.00 -0.12 0.00 0.00 57.88 57.63 1yv7 h LEU 4 Cb -0.11 -0.26 0.01 0.00 -0.73 0.00 0.00 40.66 39.57 1yv7 h LEU 4 CO -0.07 0.99 -0.82 0.74 -0.62 0.00 0.00 178.44 178.67 1yv7 h THR 5 N 0.96 1.30 -0.97 1.05 2.02 -1.89 -2.57 112.91 112.81 1yv7 h THR 5 Ca 0.19 -2.06 0.04 0.00 0.77 0.00 0.00 66.41 65.35 1yv7 h THR 5 Cb 0.44 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 1yv7 h THR 5 CO 0.01 0.64 0.63 0.15 0.37 0.00 0.00 175.52 177.33 1yv7 h PHE 6 N 0.47 1.18 -0.37 3.16 3.57 -1.11 -0.93 116.94 122.90 1yv7 h PHE 6 Ca -0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 1yv7 h PHE 6 Cb 1.44 -0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1yv7 h PHE 6 CO 0.08 0.67 0.14 1.96 -2.23 0.00 0.00 178.31 178.93 1yv7 h GLN 7 N 1.21 0.57 -0.99 1.11 4.20 -0.92 -0.90 115.11 119.38 1yv7 h GLN 7 Ca 0.39 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 59.03 1yv7 h GLN 7 Cb 0.03 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.66 1yv7 h GLN 7 CO -0.12 0.56 0.65 0.87 -0.67 0.00 0.00 178.83 180.11 1yv7 h LYS 8 N 0.45 1.22 0.00 1.46 1.57 -1.00 -1.09 116.57 119.18 1yv7 h LYS 8 Ca 0.12 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1yv7 h LYS 8 Cb 0.21 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 1yv7 h LYS 8 CO -0.01 0.81 -0.65 0.87 -0.57 0.00 0.00 179.45 179.90 1yv7 h LYS 9 N 1.26 0.00 0.00 3.15 1.57 -1.02 -3.42 116.57 118.11 1yv7 h LYS 9 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1yv7 h LYS 9 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1yv7 h LYS 9 CO -0.12 0.07 0.00 0.72 -0.57 0.00 0.00 179.45 179.55 1yv7 n HIS 10 N -2.90 0.00 -4.71 -1.35 8.25 -0.36 -4.78 115.22 109.37 1yv7 n HIS 10 Ca 0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.14 1yv7 n HIS 10 Cb 0.59 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.56 1yv7 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1yv7 s ILE 11 N -0.01 3.30 0.02 1.59 1.01 -0.42 0.50 121.20 127.18 1yv7 s ILE 11 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.10 1yv7 s ILE 11 Cb 0.00 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 1yv7 s ILE 11 CO 0.00 0.54 -0.12 0.28 0.00 0.00 0.00 174.94 175.64 1yv7 s THR 12 N -0.00 0.98 -1.60 2.92 -1.32 -0.15 -4.81 115.64 111.66 1yv7 s THR 12 Ca -0.03 -0.76 0.29 0.00 -1.21 0.00 0.00 61.69 59.98 1yv7 s THR 12 Cb -0.14 -0.86 0.44 0.00 -1.51 0.00 0.00 72.50 70.42 1yv7 s THR 12 CO 0.04 0.10 1.86 0.59 -2.21 0.00 0.00 174.62 175.00 1yv7 n ASN 13 N 2.30 0.44 -3.94 8.08 3.02 -1.26 -3.55 115.26 120.35 1yv7 n ASN 13 Ca -0.16 -0.51 -0.15 0.00 -0.03 0.00 0.00 54.58 53.73 1yv7 n ASN 13 Cb 0.55 -0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.49 1yv7 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1yv7 s THR 14 N -2.51 0.32 0.31 3.41 -1.32 -1.26 -5.01 115.64 109.57 1yv7 s THR 14 Ca 0.28 -0.19 0.12 0.00 -1.21 0.00 0.00 61.69 60.69 1yv7 s THR 14 Cb 0.20 -0.27 0.04 0.00 -1.51 0.00 0.00 72.50 70.95 1yv7 s THR 14 CO 0.48 0.08 1.72 0.03 -2.21 0.00 0.00 174.62 174.71 1yv7 h ARG 15 N 6.01 0.00 -3.74 7.08 3.08 -1.97 -3.36 114.38 121.47 1yv7 h ARG 15 Ca -0.27 0.00 -0.76 0.00 0.07 0.00 0.00 59.98 59.02 1yv7 h ARG 15 Cb 1.20 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 31.06 1yv7 h ARG 15 CO 0.50 0.49 1.57 -0.25 -1.07 0.00 0.00 179.97 181.21 1yv7 n ASP 16 N -3.90 5.35 -4.72 7.04 8.00 -1.26 -4.82 116.55 122.24 1yv7 n ASP 16 Ca -0.01 -3.12 -0.42 0.00 0.71 0.00 0.00 54.79 51.95 1yv7 n ASP 16 Cb 0.52 -1.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.12 1yv7 n ASP 16 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yv7 s VAL 17 N 0.10 2.77 -1.24 2.53 1.01 -1.26 -4.89 120.40 119.43 1yv7 s VAL 17 Ca 0.39 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 62.77 1yv7 s VAL 17 Cb 0.04 -3.36 0.13 0.00 0.00 0.00 0.00 36.38 33.19 1yv7 s VAL 17 CO 0.01 0.05 1.55 -0.62 0.00 0.00 0.00 175.10 176.09 1yv7 s ASP 18 N 1.10 6.95 0.26 3.32 -1.08 -1.26 -4.83 116.67 121.13 1yv7 s ASP 18 Ca 0.68 -2.72 -0.02 0.00 -0.52 0.00 0.00 52.55 49.97 1yv7 s ASP 18 Cb -0.42 -2.48 0.46 0.00 -1.46 0.00 0.00 42.92 39.02 1yv7 s ASP 18 CO 0.31 -0.94 1.80 0.00 0.52 0.00 0.00 175.17 176.86 1yv7 h ASP 20 N 0.77 0.00 0.00 0.00 3.32 -1.89 0.30 116.42 118.93 1yv7 h ASP 20 Ca 0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1yv7 h ASP 20 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1yv7 h ASP 20 CO -0.28 0.00 -0.32 -1.13 -1.72 0.00 0.00 179.24 175.79 1yv7 h ASN 21 N 0.00 0.00 -0.61 6.45 -0.73 -1.50 -3.38 115.58 115.81 1yv7 h ASN 21 Ca 0.00 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.15 1yv7 h ASN 21 Cb 0.34 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.90 1yv7 h ASN 21 CO 0.00 0.56 0.31 -0.29 -0.37 0.00 0.00 177.43 177.64 1yv7 h ILE 22 N -0.80 1.21 0.00 2.57 2.10 -1.19 -2.46 117.51 118.94 1yv7 h ILE 22 Ca 0.00 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 65.36 1yv7 h ILE 22 Cb 0.32 0.39 0.00 0.00 -1.09 0.00 0.00 36.82 36.44 1yv7 h ILE 22 CO 0.00 0.24 0.00 0.23 -1.08 0.00 0.00 178.15 177.54 1yv7 n MET 23 N -4.35 0.12 0.00 2.19 2.81 0.08 -2.04 117.12 115.94 1yv7 n MET 23 Ca 0.06 0.27 0.12 0.00 -1.81 0.00 0.00 57.70 56.34 1yv7 n MET 23 Cb 0.13 -1.69 0.23 0.00 -0.71 0.00 0.00 33.22 31.18 1yv7 n MET 23 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1yv7 n SER 24 N -1.91 0.81 -4.70 7.83 3.41 -0.93 0.26 113.62 118.40 1yv7 n SER 24 Ca 0.04 -0.61 -0.29 0.00 -0.26 0.00 0.00 58.87 57.75 1yv7 n SER 24 Cb 0.26 0.32 0.16 0.00 -0.26 0.00 0.00 64.21 64.69 1yv7 n SER 24 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1yv7 s THR 25 N -2.82 2.36 0.37 6.66 -4.23 -0.86 -4.65 115.64 112.47 1yv7 s THR 25 Ca 0.15 0.12 0.12 0.00 -1.18 0.00 0.00 61.69 60.90 1yv7 s THR 25 Cb 0.18 -2.60 0.10 0.00 1.34 0.00 0.00 72.50 71.51 1yv7 s THR 25 CO 0.66 -0.15 1.83 0.78 -0.54 0.00 0.00 174.62 177.20 1yv7 h ASN 26 N -1.73 0.03 -0.89 3.99 -0.26 -1.91 0.23 115.58 115.03 1yv7 h ASN 26 Ca -0.52 -0.01 0.15 0.00 -0.56 0.00 0.00 56.30 55.36 1yv7 h ASN 26 Cb 1.31 -0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 38.49 1yv7 h ASN 26 CO 0.56 0.38 0.58 0.25 -1.06 0.00 0.00 177.43 178.14 1yv7 h LEU 27 N 0.02 0.62 0.00 1.61 5.85 -1.91 -3.06 115.31 118.44 1yv7 h LEU 27 Ca -0.00 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.67 1yv7 h LEU 27 Cb 0.64 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1yv7 h LEU 27 CO 0.05 0.30 -1.70 0.49 -0.34 0.00 0.00 178.44 177.24 1yv7 n PHE 28 N -4.56 0.00 -4.28 1.25 3.72 -0.93 -5.03 117.46 107.62 1yv7 n PHE 28 Ca 0.18 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.26 1yv7 n PHE 28 Cb 0.50 -0.43 -0.08 0.00 -0.94 0.00 0.00 39.48 38.53 1yv7 n PHE 28 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1yv7 n HIS 29 N -2.17 -1.34 -2.73 1.38 1.44 0.76 -1.23 115.22 111.33 1yv7 n HIS 29 Ca -0.10 0.66 -0.22 0.00 -2.01 0.00 0.00 57.72 56.05 1yv7 n HIS 29 Cb 0.58 -2.84 0.01 0.00 0.12 0.00 0.00 29.99 27.87 1yv7 n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yv7 s LYS 31 N -5.40 0.24 0.37 0.00 -2.85 -0.36 -4.70 119.74 107.04 1yv7 s LYS 31 Ca 0.16 0.39 0.12 0.00 -1.00 0.00 0.00 55.97 55.65 1yv7 s LYS 31 Cb -0.07 -1.73 0.71 0.00 -2.06 0.00 0.00 37.83 34.68 1yv7 s LYS 31 CO 0.20 -2.83 1.82 -0.44 0.10 0.00 0.00 175.35 174.20 1yv7 h ASP 32 N -1.96 0.02 -4.96 0.03 3.32 -1.92 -3.45 116.42 107.50 1yv7 h ASP 32 Ca -0.54 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.47 1yv7 h ASP 32 Cb 1.33 -0.01 -0.17 0.00 0.22 0.00 0.00 39.33 40.71 1yv7 h ASP 32 CO 0.56 0.39 0.22 -0.75 -1.72 0.00 0.00 179.24 177.93 1yv7 s LYS 33 N -4.21 1.11 -0.20 3.56 2.20 -1.26 -1.19 119.74 119.74 1yv7 s LYS 33 Ca -0.03 -0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 55.37 1yv7 s LYS 33 Cb 0.14 0.52 0.05 0.00 -1.51 0.00 0.00 37.83 37.04 1yv7 s LYS 33 CO 0.73 -0.41 0.54 1.21 -0.36 0.00 0.00 175.35 177.06 1yv7 s ASN 34 N -1.78 -0.56 -0.17 1.43 2.47 -0.88 -5.01 114.94 110.44 1yv7 s ASN 34 Ca -0.06 1.09 -0.04 0.00 0.42 0.00 0.00 52.86 54.26 1yv7 s ASN 34 Cb -0.00 1.10 -0.03 0.00 -1.45 0.00 0.00 41.25 40.87 1yv7 s ASN 34 CO 0.01 -0.19 -0.02 -0.89 -3.72 0.00 0.00 177.10 172.30 1yv7 s THR 35 N 0.28 3.99 -0.05 -5.21 2.01 -1.26 -1.35 115.64 114.07 1yv7 s THR 35 Ca -0.00 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.69 1yv7 s THR 35 Cb -0.04 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1yv7 s THR 35 CO 0.01 0.47 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.02 1yv7 s PHE 36 N 0.58 3.05 -0.22 4.92 0.40 -0.25 -4.62 117.98 121.84 1yv7 s PHE 36 Ca -0.02 0.09 -0.06 0.00 -0.60 0.00 0.00 56.93 56.34 1yv7 s PHE 36 Cb -0.14 -1.71 -0.03 0.00 0.51 0.00 0.00 43.02 41.65 1yv7 s PHE 36 CO 0.02 0.42 0.04 0.42 0.70 0.00 0.00 175.22 176.82 1yv7 s ILE 37 N -0.94 4.20 -0.61 0.64 1.01 0.18 -0.41 121.20 125.27 1yv7 s ILE 37 Ca 0.15 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.39 1yv7 s ILE 37 Cb -0.11 -2.93 0.09 0.00 0.01 0.00 0.00 42.46 39.52 1yv7 s ILE 37 CO 0.05 0.39 0.78 -0.47 0.00 0.00 0.00 174.94 175.70 1yv7 s TYR 38 N 1.22 2.90 -0.04 3.97 5.04 -0.60 -0.98 117.35 128.86 1yv7 s TYR 38 Ca 0.04 -0.84 -0.30 0.00 -2.44 0.00 0.00 57.07 53.52 1yv7 s TYR 38 Cb -0.14 -4.10 0.11 0.00 0.35 0.00 0.00 41.96 38.17 1yv7 s TYR 38 CO 0.02 -1.40 1.00 0.45 -1.34 0.00 0.00 175.55 174.28 1yv7 s SER 39 N 3.65 -0.27 0.74 4.32 0.15 -1.23 -4.31 113.70 116.76 1yv7 s SER 39 Ca 0.15 -0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.64 1yv7 s SER 39 Cb -0.22 0.32 0.04 0.00 -1.71 0.00 0.00 66.02 64.45 1yv7 s SER 39 CO 0.07 -0.53 1.08 -0.13 1.20 0.00 0.00 173.24 174.93 1yv7 s ARG 40 N -2.91 2.53 0.34 5.44 0.52 -1.26 -4.66 118.95 118.94 1yv7 s ARG 40 Ca 0.07 0.84 0.11 0.00 -0.52 0.00 0.00 55.73 56.23 1yv7 s ARG 40 Cb -0.01 -1.95 0.60 0.00 0.52 0.00 0.00 34.95 34.11 1yv7 s ARG 40 CO -0.06 -1.36 1.76 -1.35 0.02 0.00 0.00 175.30 174.31 1yv7 h PRO 41 N -0.90 0.05 -0.52 3.54 0.11 -1.99 -3.33 132.00 128.97 1yv7 h PRO 41 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1yv7 h PRO 41 Cb 1.24 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1yv7 h PRO 41 CO 0.57 0.46 0.25 0.93 -0.21 0.00 0.00 178.00 180.01 1yv7 h GLU 42 N 0.04 0.74 -0.15 1.05 3.07 -1.99 0.05 114.58 117.40 1yv7 h GLU 42 Ca 0.00 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.71 1yv7 h GLU 42 Cb 0.76 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1yv7 h GLU 42 CO 0.06 0.61 -0.12 -1.35 -1.40 0.00 0.00 179.01 176.81 1yv7 h PRO 43 N 0.69 0.23 -0.15 2.33 0.11 -1.98 -0.59 132.00 132.64 1yv7 h PRO 43 Ca 0.18 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.04 1yv7 h PRO 43 Cb 0.11 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.19 1yv7 h PRO 43 CO -0.02 0.35 -0.67 0.28 -0.21 0.00 0.00 178.00 177.73 1yv7 h VAL 44 N 0.22 1.30 -0.26 3.15 2.07 -1.58 -3.25 116.25 117.91 1yv7 h VAL 44 Ca 0.05 -1.90 -0.08 0.00 0.82 0.00 0.00 66.70 65.59 1yv7 h VAL 44 Cb 0.35 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1yv7 h VAL 44 CO 0.02 0.59 -0.20 0.50 0.02 0.00 0.00 177.57 178.50 1yv7 h LYS 45 N 0.42 0.47 0.00 1.57 3.64 -0.63 -2.83 116.57 119.21 1yv7 h LYS 45 Ca -0.04 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1yv7 h LYS 45 Cb 1.30 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1yv7 h LYS 45 CO 0.14 0.65 -0.00 0.00 -2.27 0.00 0.00 179.45 177.97 1yv7 h ALA 46 N 1.37 1.06 -0.80 5.00 0.00 -1.15 -1.86 119.26 122.88 1yv7 h ALA 46 Ca 0.07 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.12 1yv7 h ALA 46 Cb 0.60 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1yv7 h ALA 46 CO 0.04 0.00 0.53 0.82 0.00 0.00 0.00 179.25 180.64 1yv7 h ILE 47 N 0.00 0.82 -0.69 0.00 2.04 -1.59 -2.39 117.51 115.71 1yv7 h ILE 47 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1yv7 h ILE 47 Cb 0.06 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1yv7 h ILE 47 CO 0.00 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1yv7 s LYS 49 N -1.57 4.13 0.00 0.00 2.20 -0.90 -1.93 119.74 121.67 1yv7 s LYS 49 Ca 0.51 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.70 1yv7 s LYS 49 Cb 0.31 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 1yv7 s LYS 49 CO 0.28 -0.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.94 1yv7 n GLY 50 N 3.89 1.52 3.53 5.54 0.00 -1.26 -5.00 105.19 113.41 1yv7 n GLY 50 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1yv7 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yv7 s ILE 51 N -3.52 5.06 -0.06 -0.61 -1.09 -0.81 -4.96 121.20 115.21 1yv7 s ILE 51 Ca 0.00 0.08 -0.05 0.00 -2.23 0.00 0.00 60.65 58.45 1yv7 s ILE 51 Cb 0.00 -3.96 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 1yv7 s ILE 51 CO 0.00 -0.25 -0.10 -0.38 -1.23 0.00 0.00 174.94 172.98 1yv7 n ILE 52 N 5.40 0.55 -2.28 2.92 2.08 -1.26 -0.03 119.36 126.75 1yv7 n ILE 52 Ca -0.06 0.38 -0.38 0.00 0.56 0.00 0.00 62.75 63.25 1yv7 n ILE 52 Cb 0.49 -1.83 -0.01 0.00 -0.75 0.00 0.00 39.64 37.53 1yv7 n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1yv7 s ALA 53 N -2.93 3.06 0.09 -1.39 0.00 -1.26 -0.44 121.76 118.89 1yv7 s ALA 53 Ca -0.08 0.95 -0.35 0.00 0.00 0.00 0.00 51.96 52.47 1yv7 s ALA 53 Cb 0.01 -3.38 -0.18 0.00 0.00 0.00 0.00 23.12 19.57 1yv7 s ALA 53 CO 0.12 -0.59 1.01 0.43 0.00 0.00 0.00 175.76 176.73 1yv7 n SER 54 N -0.23 0.24 -3.64 0.00 7.64 -1.25 -4.73 113.62 111.66 1yv7 n SER 54 Ca 0.06 1.15 -0.14 0.00 1.01 0.00 0.00 58.87 60.94 1yv7 n SER 54 Cb 0.47 -1.03 -0.07 0.00 -1.01 0.00 0.00 64.21 62.58 1yv7 n SER 54 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1yv7 s LYS 55 N -0.24 0.82 0.12 1.43 2.20 -0.32 -4.96 119.74 118.78 1yv7 s LYS 55 Ca 0.81 0.95 -0.25 0.00 -0.36 0.00 0.00 55.97 57.12 1yv7 s LYS 55 Cb -1.07 0.40 -0.07 0.00 -1.51 0.00 0.00 37.83 35.58 1yv7 s LYS 55 CO 0.55 -0.10 0.78 -0.80 -0.36 0.00 0.00 175.35 175.41 1yv7 s ASN 56 N 0.34 7.32 -0.01 1.43 0.02 -1.26 -0.17 114.94 122.61 1yv7 s ASN 56 Ca -0.00 1.57 0.02 0.00 -1.02 0.00 0.00 52.86 53.43 1yv7 s ASN 56 Cb -0.05 -2.49 -0.00 0.00 0.02 0.00 0.00 41.25 38.73 1yv7 s ASN 56 CO 0.01 0.12 -0.07 -0.69 0.02 0.00 0.00 177.10 176.49 1yv7 s VAL 57 N -0.67 0.58 -0.19 1.60 1.01 0.42 -4.94 120.40 118.21 1yv7 s VAL 57 Ca 0.37 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 1yv7 s VAL 57 Cb -0.22 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1yv7 s VAL 57 CO 0.25 0.17 0.20 -0.22 0.00 0.00 0.00 175.10 175.51 1yv7 s LEU 58 N -0.01 4.21 0.67 3.92 2.96 -1.26 -1.21 118.68 127.95 1yv7 s LEU 58 Ca 0.01 0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 54.07 1yv7 s LEU 58 Cb -0.05 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.43 1yv7 s LEU 58 CO -0.00 0.13 1.28 0.42 -1.32 0.00 0.00 176.35 176.86 1yv7 s THR 59 N 0.52 2.03 -0.07 3.68 -4.23 0.16 -4.92 115.64 112.81 1yv7 s THR 59 Ca 0.11 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.61 1yv7 s THR 59 Cb -0.12 -2.94 -0.27 0.00 1.34 0.00 0.00 72.50 70.51 1yv7 s THR 59 CO 0.01 -0.01 0.58 0.00 -0.54 0.00 0.00 174.62 174.67 1yv7 h THR 60 N 0.37 0.84 -3.12 3.99 1.03 -1.97 -3.43 112.91 110.61 1yv7 h THR 60 Ca -0.50 -2.53 -0.46 0.00 -0.01 0.00 0.00 66.41 62.90 1yv7 h THR 60 Cb 1.33 2.60 0.04 0.00 -1.07 0.00 0.00 68.15 71.06 1yv7 h THR 60 CO 0.52 0.81 0.03 -0.44 -0.01 0.00 0.00 175.52 176.43 1yv7 s SER 61 N -6.94 5.68 0.19 0.00 0.01 -1.26 -5.07 113.70 106.31 1yv7 s SER 61 Ca -0.15 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1yv7 s SER 61 Cb 0.07 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 1yv7 s SER 61 CO 0.81 -0.90 0.36 -1.61 0.41 0.00 0.00 173.24 172.32 1yv7 s GLU 62 N -4.76 3.49 0.15 12.44 2.02 -1.26 -4.57 118.70 126.21 1yv7 s GLU 62 Ca 0.51 -0.43 0.05 0.00 0.02 0.00 0.00 54.97 55.13 1yv7 s GLU 62 Cb -0.10 -2.87 -0.04 0.00 0.10 0.00 0.00 34.13 31.21 1yv7 s GLU 62 CO 0.41 0.43 -0.11 -0.06 0.02 0.00 0.00 175.26 175.95 1yv7 s PHE 63 N -1.85 1.33 -0.12 1.61 0.40 -0.04 -4.92 117.98 114.39 1yv7 s PHE 63 Ca 0.37 -0.72 -0.29 0.00 -0.60 0.00 0.00 56.93 55.69 1yv7 s PHE 63 Cb -0.11 -0.67 -0.01 0.00 0.51 0.00 0.00 43.02 42.74 1yv7 s PHE 63 CO 0.29 0.12 0.98 0.71 0.70 0.00 0.00 175.22 178.03 1yv7 s TYR 64 N -3.23 3.49 -0.01 0.36 2.02 -1.26 -1.73 117.35 116.99 1yv7 s TYR 64 Ca 0.17 1.54 0.04 0.00 -0.37 0.00 0.00 57.07 58.45 1yv7 s TYR 64 Cb 0.02 -3.17 -0.03 0.00 -0.40 0.00 0.00 41.96 38.38 1yv7 s TYR 64 CO 0.01 -0.24 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.11 1yv7 s LEU 65 N 2.10 2.84 -0.23 -1.29 1.43 0.12 -1.56 118.68 122.09 1yv7 s LEU 65 Ca 0.47 -0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1yv7 s LEU 65 Cb -0.18 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.48 1yv7 s LEU 65 CO 0.16 0.31 -0.03 -0.44 0.23 0.00 0.00 176.35 176.57 1yv7 s SER 66 N -1.11 3.72 -0.10 2.29 0.01 0.45 -1.59 113.70 117.38 1yv7 s SER 66 Ca 0.14 -1.14 -0.10 0.00 1.31 0.00 0.00 55.95 56.15 1yv7 s SER 66 Cb -0.11 -1.08 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 1yv7 s SER 66 CO 0.04 -0.25 0.24 -1.81 0.41 0.00 0.00 173.24 171.86 1yv7 s ASP 67 N 1.47 6.50 -0.33 2.44 1.01 -0.06 -1.09 116.67 126.61 1yv7 s ASP 67 Ca -0.05 0.60 -0.11 0.00 0.71 0.00 0.00 52.55 53.70 1yv7 s ASP 67 Cb -0.19 -2.14 -0.00 0.00 1.01 0.00 0.00 42.92 41.60 1yv7 s ASP 67 CO -0.07 0.33 0.19 0.00 0.21 0.00 0.00 175.17 175.83 1yv7 s ASN 69 N 1.64 4.26 0.55 0.00 0.01 -0.77 -2.07 114.94 118.56 1yv7 s ASN 69 Ca 0.05 -0.27 -0.19 0.00 -0.71 0.00 0.00 52.86 51.74 1yv7 s ASN 69 Cb -0.18 -1.67 -0.05 0.00 0.41 0.00 0.00 41.25 39.76 1yv7 s ASN 69 CO 0.08 0.16 1.12 0.54 -1.51 0.00 0.00 177.10 177.49 1yv7 s VAL 70 N 0.37 3.26 0.00 1.60 0.11 -0.34 -0.92 120.40 124.48 1yv7 s VAL 70 Ca -0.09 0.76 0.00 0.00 -2.93 0.00 0.00 61.98 59.72 1yv7 s VAL 70 Cb -0.15 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 1yv7 s VAL 70 CO 0.05 -0.20 0.00 0.35 -3.33 0.00 0.00 175.10 171.97 1yv7 n THR 71 N -1.40 0.00 0.76 5.04 -2.24 0.18 -4.83 114.28 111.79 1yv7 n THR 71 Ca 0.11 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 1yv7 n THR 71 Cb 0.51 -1.23 0.47 0.00 -2.10 0.00 0.00 70.33 67.98 1yv7 n THR 71 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1yv7 n SER 72 N -1.53 0.00 -4.57 3.42 3.41 -1.26 -4.59 113.62 108.50 1yv7 n SER 72 Ca 0.00 0.48 -0.36 0.00 -0.26 0.00 0.00 58.87 58.73 1yv7 n SER 72 Cb 0.00 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.35 1yv7 n SER 72 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1yv7 s ARG 73 N -2.98 3.90 0.21 4.33 0.52 -1.26 -5.04 118.95 118.62 1yv7 s ARG 73 Ca 0.11 -0.36 -0.32 0.00 -0.52 0.00 0.00 55.73 54.64 1yv7 s ARG 73 Cb 0.14 -3.41 -0.15 0.00 0.52 0.00 0.00 34.95 32.06 1yv7 s ARG 73 CO 0.39 -0.01 1.24 -2.30 0.02 0.00 0.00 175.30 174.65 1yv7 n PRO 74 N 4.43 1.53 -2.11 3.54 -0.02 -1.26 -2.14 135.00 138.97 1yv7 n PRO 74 Ca -0.16 0.55 -0.18 0.00 -2.02 0.00 0.00 63.50 61.69 1yv7 n PRO 74 Cb 0.52 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1yv7 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yv7 s LYS 76 N -4.54 2.23 0.31 0.00 -0.14 -0.91 -4.86 119.74 111.84 1yv7 s LYS 76 Ca 0.00 -0.67 0.05 0.00 -1.36 0.00 0.00 55.97 53.99 1yv7 s LYS 76 Cb 0.00 -1.81 -0.06 0.00 -1.68 0.00 0.00 37.83 34.28 1yv7 s LYS 76 CO 0.00 0.18 0.01 0.71 -0.76 0.00 0.00 175.35 175.49 1yv7 s TYR 77 N 0.28 2.01 -0.04 3.18 1.51 -1.26 -0.65 117.35 122.38 1yv7 s TYR 77 Ca -0.11 -0.83 0.06 0.00 -1.01 0.00 0.00 57.07 55.18 1yv7 s TYR 77 Cb -0.15 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.42 1yv7 s TYR 77 CO 0.05 0.16 -0.24 0.15 -1.11 0.00 0.00 175.55 174.56 1yv7 s LYS 78 N -3.81 2.40 -0.22 -0.62 1.02 -0.09 -4.86 119.74 113.55 1yv7 s LYS 78 Ca 0.33 -0.89 -0.20 0.00 0.02 0.00 0.00 55.97 55.24 1yv7 s LYS 78 Cb 0.07 -2.15 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 1yv7 s LYS 78 CO 0.14 0.47 0.58 -1.17 -0.92 0.00 0.00 175.35 174.45 1yv7 s LEU 79 N -0.37 4.11 -0.14 3.17 2.96 -1.26 -1.85 118.68 125.30 1yv7 s LEU 79 Ca 0.03 0.70 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 1yv7 s LEU 79 Cb -0.12 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.78 1yv7 s LEU 79 CO 0.02 -0.28 -0.19 -0.75 -1.32 0.00 0.00 176.35 173.83 1yv7 s LYS 80 N 2.06 3.15 -0.02 1.98 2.36 -0.36 -4.95 119.74 123.96 1yv7 s LYS 80 Ca 0.25 -0.80 -0.00 0.00 -2.55 0.00 0.00 55.97 52.88 1yv7 s LYS 80 Cb -0.16 -2.51 -0.04 0.00 -1.05 0.00 0.00 37.83 34.07 1yv7 s LYS 80 CO 0.09 0.06 0.04 0.15 1.55 0.00 0.00 175.35 177.24 1yv7 s LYS 81 N 0.68 2.96 0.34 4.03 1.02 -1.26 -0.89 119.74 126.63 1yv7 s LYS 81 Ca -0.09 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.25 1yv7 s LYS 81 Cb -0.16 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1yv7 s LYS 81 CO 0.02 0.65 0.70 -1.54 -0.92 0.00 0.00 175.35 174.26 1yv7 s SER 82 N -1.53 0.08 -0.07 2.83 1.04 -0.62 -5.00 113.70 110.43 1yv7 s SER 82 Ca 0.20 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.60 1yv7 s SER 82 Cb -0.12 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1yv7 s SER 82 CO 0.11 -1.51 -0.18 0.42 0.98 0.00 0.00 173.24 173.05 1yv7 s THR 83 N -2.91 1.59 0.24 2.02 -4.23 -1.26 0.15 115.64 111.23 1yv7 s THR 83 Ca 0.17 -0.77 -0.22 0.00 -1.18 0.00 0.00 61.69 59.70 1yv7 s THR 83 Cb -0.04 -1.38 0.05 0.00 1.34 0.00 0.00 72.50 72.47 1yv7 s THR 83 CO 0.12 0.45 0.87 0.21 -0.54 0.00 0.00 174.62 175.73 1yv7 s ASN 84 N 0.30 -0.13 0.42 3.99 3.84 -0.70 -4.92 114.94 117.73 1yv7 s ASN 84 Ca -0.12 -0.65 -0.01 0.00 0.21 0.00 0.00 52.86 52.29 1yv7 s ASN 84 Cb -0.15 0.63 -0.03 0.00 -0.55 0.00 0.00 41.25 41.16 1yv7 s ASN 84 CO 0.05 -1.20 0.66 -0.54 -2.79 0.00 0.00 177.10 173.27 1yv7 s LYS 85 N -3.09 3.38 0.20 0.43 -0.14 -1.26 -0.86 119.74 118.40 1yv7 s LYS 85 Ca 0.14 -0.21 -0.09 0.00 -1.36 0.00 0.00 55.97 54.45 1yv7 s LYS 85 Cb -0.04 -2.54 -0.01 0.00 -1.68 0.00 0.00 37.83 33.56 1yv7 s LYS 85 CO 0.06 -0.08 0.33 -0.59 -0.76 0.00 0.00 175.35 174.31 1yv7 s PHE 86 N -2.52 0.53 -0.04 3.18 -0.12 -1.26 0.43 117.98 118.18 1yv7 s PHE 86 Ca 0.44 -0.86 0.06 0.00 -0.05 0.00 0.00 56.93 56.52 1yv7 s PHE 86 Cb -0.10 -0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1yv7 s PHE 86 CO 0.39 -0.81 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.43 1yv7 s SER 87 N -3.02 3.57 0.26 1.98 0.01 -0.05 -0.66 113.70 115.78 1yv7 s SER 87 Ca 0.23 -0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.22 1yv7 s SER 87 Cb 0.02 -0.63 -0.05 0.00 0.21 0.00 0.00 66.02 65.57 1yv7 s SER 87 CO 0.06 0.33 -0.03 0.68 0.41 0.00 0.00 173.24 174.69 1yv7 s VAL 88 N -0.65 1.36 -0.26 3.43 -7.23 -0.35 -1.10 120.40 115.60 1yv7 s VAL 88 Ca 0.10 -2.08 -0.15 0.00 -1.81 0.00 0.00 61.98 58.04 1yv7 s VAL 88 Cb -0.10 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1yv7 s VAL 88 CO -0.00 -0.32 0.37 -0.89 -0.31 0.00 0.00 175.10 173.95 1yv7 s THR 89 N -3.20 5.18 -0.01 5.32 2.01 -0.56 -0.44 115.64 123.95 1yv7 s THR 89 Ca 0.29 0.57 -0.15 0.00 0.31 0.00 0.00 61.69 62.71 1yv7 s THR 89 Cb 0.05 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.81 1yv7 s THR 89 CO 0.10 0.17 0.41 0.00 -0.69 0.00 0.00 174.62 174.61 1yv7 s GLU 91 N -0.97 0.37 -1.46 0.00 2.12 -0.51 -1.17 118.70 117.08 1yv7 s GLU 91 Ca 0.24 0.80 -0.03 0.00 0.36 0.00 0.00 54.97 56.34 1yv7 s GLU 91 Cb -0.17 0.00 0.02 0.00 0.26 0.00 0.00 34.13 34.25 1yv7 s GLU 91 CO 0.13 -0.17 0.43 -1.71 -0.54 0.00 0.00 175.26 173.40 1yv7 n ASN 92 N 4.39 -0.61 -1.10 -1.70 5.15 0.42 -2.17 115.26 119.65 1yv7 n ASN 92 Ca -0.22 -1.03 -0.14 0.00 -0.60 0.00 0.00 54.58 52.59 1yv7 n ASN 92 Cb 0.54 -2.89 -0.06 0.00 -0.53 0.00 0.00 39.78 36.85 1yv7 n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yv7 n GLN 93 N -4.42 -0.98 -3.92 1.20 6.02 0.96 -5.00 117.38 111.24 1yv7 n GLN 93 Ca -0.26 0.99 -0.10 0.00 -0.01 0.00 0.00 57.00 57.61 1yv7 n GLN 93 Cb 0.66 -5.09 -0.11 0.00 1.02 0.00 0.00 30.24 26.73 1yv7 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yv7 s ALA 94 N -2.53 -0.12 0.19 -1.58 0.00 -0.92 -4.49 121.76 112.31 1yv7 s ALA 94 Ca 0.00 -0.32 -0.31 0.00 0.00 0.00 0.00 51.96 51.34 1yv7 s ALA 94 Cb 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.14 1yv7 s ALA 94 CO 0.00 -0.18 1.44 -2.14 0.00 0.00 0.00 175.76 174.88 1yv7 s PRO 95 N -1.33 4.28 0.00 0.00 0.02 -1.26 -1.43 135.00 135.28 1yv7 s PRO 95 Ca -0.14 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.11 1yv7 s PRO 95 Cb -0.08 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1yv7 s PRO 95 CO 0.00 -0.44 0.01 1.33 -0.33 0.00 0.00 177.00 177.57 1yv7 n VAL 96 N 3.10 0.00 -3.71 3.83 0.24 0.32 -4.00 118.33 118.11 1yv7 n VAL 96 Ca 0.09 -0.48 -0.14 0.00 -2.04 0.00 0.00 64.34 61.77 1yv7 n VAL 96 Cb 0.41 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.69 1yv7 n VAL 96 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1yv7 s HIS 97 N -0.93 -0.32 -0.09 6.34 3.76 -1.23 -3.88 115.29 118.93 1yv7 s HIS 97 Ca 0.00 0.58 -0.16 0.00 -0.15 0.00 0.00 55.06 55.33 1yv7 s HIS 97 Cb 0.00 0.16 -0.05 0.00 1.11 0.00 0.00 32.58 33.81 1yv7 s HIS 97 CO 0.00 -0.40 0.40 0.12 -0.85 0.00 0.00 174.74 174.02 1yv7 s PHE 98 N -1.01 3.56 -0.11 1.40 2.19 -1.26 -1.49 117.98 121.26 1yv7 s PHE 98 Ca -0.11 0.84 -0.12 0.00 0.33 0.00 0.00 56.93 57.87 1yv7 s PHE 98 Cb -0.04 -2.41 -0.04 0.00 -1.31 0.00 0.00 43.02 39.22 1yv7 s PHE 98 CO 0.05 0.33 -0.23 0.28 1.83 0.00 0.00 175.22 177.48 1yv7 n VAL 99 N 3.08 1.00 -3.82 3.12 0.31 -0.25 -4.93 118.33 116.84 1yv7 n VAL 99 Ca -0.11 0.26 0.01 0.00 -0.01 0.00 0.00 64.34 64.49 1yv7 n VAL 99 Cb 0.52 -2.04 0.01 0.00 -0.91 0.00 0.00 33.84 31.41 1yv7 n VAL 99 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yv7 s GLY 100 N -4.26 -0.19 0.16 2.92 0.00 -1.17 -5.00 107.32 99.77 1yv7 s GLY 100 Ca -0.19 0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.73 1yv7 s GLY 100 CO 0.28 2.66 0.34 0.14 0.00 0.00 0.00 173.10 176.52 1yv7 s VAL 101 N -2.28 5.25 0.00 1.40 1.01 -1.26 -0.87 120.40 123.64 1yv7 s VAL 101 Ca 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.85 1yv7 s VAL 101 Cb 0.01 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1yv7 s VAL 101 CO -0.00 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.64