#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yv6 h TRP 3 N 0.00 0.85 -0.63 2.11 -0.00 -1.90 -1.34 115.95 115.04 1yv6 h TRP 3 Ca 0.00 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.88 1yv6 h TRP 3 Cb 0.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 28.86 1yv6 h TRP 3 CO 0.00 0.43 0.24 1.25 -0.00 0.00 0.00 178.44 180.36 1yv6 h LEU 4 N 0.85 0.88 -0.41 0.65 5.85 -2.00 -1.97 115.31 119.16 1yv6 h LEU 4 Ca 0.33 -0.18 -0.18 0.00 0.84 0.00 0.00 57.88 58.70 1yv6 h LEU 4 Cb 0.15 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 1yv6 h LEU 4 CO -0.17 0.82 -0.79 0.74 -0.34 0.00 0.00 178.44 178.70 1yv6 h THR 5 N 0.89 1.48 -0.45 1.05 2.02 -1.91 -2.83 112.91 113.17 1yv6 h THR 5 Ca 0.21 -2.48 -0.02 0.00 0.77 0.00 0.00 66.41 64.89 1yv6 h THR 5 Cb 0.22 2.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 1yv6 h THR 5 CO -0.01 0.72 0.20 0.15 0.37 0.00 0.00 175.52 176.95 1yv6 h PHE 6 N 0.09 0.66 -0.57 3.16 3.57 -1.06 -1.24 116.94 121.56 1yv6 h PHE 6 Ca -0.03 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 1yv6 h PHE 6 Cb 1.38 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1yv6 h PHE 6 CO 0.02 0.55 0.30 1.96 -2.23 0.00 0.00 178.31 178.91 1yv6 h GLN 7 N 0.58 0.81 -0.42 1.11 4.20 -1.32 0.34 115.11 120.41 1yv6 h GLN 7 Ca 0.15 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1yv6 h GLN 7 Cb 0.15 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1yv6 h GLN 7 CO -0.02 0.64 -0.11 0.87 -0.67 0.00 0.00 178.83 179.55 1yv6 h LYS 8 N 0.77 0.76 0.00 1.46 1.57 -1.32 -1.68 116.57 118.13 1yv6 h LYS 8 Ca 0.20 -0.25 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 1yv6 h LYS 8 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1yv6 h LYS 8 CO -0.03 0.84 -1.20 0.87 -0.57 0.00 0.00 179.45 179.36 1yv6 h LYS 9 N 0.69 0.00 0.00 3.15 1.57 -0.98 -3.42 116.57 117.58 1yv6 h LYS 9 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1yv6 h LYS 9 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1yv6 h LYS 9 CO 0.04 0.56 0.00 0.72 -0.57 0.00 0.00 179.45 180.19 1yv6 n HIS 10 N -3.11 0.00 -5.01 -1.35 8.25 0.12 -4.81 115.22 109.31 1yv6 n HIS 10 Ca -0.07 -0.09 -0.32 0.00 -0.26 0.00 0.00 57.72 56.98 1yv6 n HIS 10 Cb 0.90 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.84 1yv6 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1yv6 s ILE 11 N -0.19 2.57 0.04 1.59 1.01 -0.63 0.37 121.20 125.95 1yv6 s ILE 11 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 60.65 59.86 1yv6 s ILE 11 Cb 0.00 -2.03 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1yv6 s ILE 11 CO 0.00 0.55 -0.17 0.28 0.00 0.00 0.00 174.94 175.60 1yv6 s THR 12 N 0.21 1.33 -2.52 2.92 -1.32 -0.67 -4.78 115.64 110.80 1yv6 s THR 12 Ca -0.12 -1.07 0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1yv6 s THR 12 Cb -0.16 -1.18 0.41 0.00 -1.51 0.00 0.00 72.50 70.06 1yv6 s THR 12 CO 0.06 0.09 1.47 -0.46 -2.21 0.00 0.00 174.62 173.57 1yv6 n ASN 13 N 1.90 2.53 -3.94 8.08 2.04 -1.26 -3.48 115.26 121.13 1yv6 n ASN 13 Ca -0.18 -1.84 -0.18 0.00 -0.44 0.00 0.00 54.58 51.95 1yv6 n ASN 13 Cb 0.54 -0.12 -0.15 0.00 -2.53 0.00 0.00 39.78 37.52 1yv6 n ASN 13 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1yv6 s THR 14 N -1.76 0.49 0.27 5.53 -1.32 -1.26 -5.01 115.64 112.58 1yv6 s THR 14 Ca 0.34 -0.19 0.09 0.00 -1.21 0.00 0.00 61.69 60.72 1yv6 s THR 14 Cb 0.20 -0.46 -0.02 0.00 -1.51 0.00 0.00 72.50 70.71 1yv6 s THR 14 CO 0.30 0.17 1.61 -0.09 -2.21 0.00 0.00 174.62 174.40 1yv6 h ARG 15 N 6.50 0.06 -3.51 7.08 2.43 -1.97 -3.35 114.38 121.63 1yv6 h ARG 15 Ca -0.33 -0.04 -0.77 0.00 -0.81 0.00 0.00 59.98 58.02 1yv6 h ARG 15 Cb 1.17 0.01 -0.19 0.00 -0.42 0.00 0.00 29.97 30.53 1yv6 h ARG 15 CO 0.49 0.64 1.57 -0.25 -1.51 0.00 0.00 179.97 180.91 1yv6 n ASP 16 N -3.84 5.46 -4.73 -3.80 8.00 -1.26 -4.81 116.55 111.56 1yv6 n ASP 16 Ca -0.02 -3.17 -0.42 0.00 0.71 0.00 0.00 54.79 51.90 1yv6 n ASP 16 Cb 0.60 -1.43 -0.02 0.00 -0.02 0.00 0.00 41.12 40.24 1yv6 n ASP 16 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yv6 s VAL 17 N -0.34 2.26 -1.30 2.53 1.01 -1.26 -4.90 120.40 118.40 1yv6 s VAL 17 Ca 0.37 0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.40 1yv6 s VAL 17 Cb 0.06 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.41 1yv6 s VAL 17 CO 0.03 0.02 1.75 -0.67 0.00 0.00 0.00 175.10 176.23 1yv6 n ASP 18 N 3.11 4.85 -0.20 3.32 -0.08 -1.26 -4.85 116.55 121.44 1yv6 n ASP 18 Ca 0.11 -2.94 0.01 0.00 -1.51 0.00 0.00 54.79 50.46 1yv6 n ASP 18 Cb 0.37 -1.67 0.10 0.00 2.34 0.00 0.00 41.12 42.27 1yv6 n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1yv6 h ASP 20 N 0.11 0.00 0.00 0.00 3.32 -1.88 -0.36 116.42 117.60 1yv6 h ASP 20 Ca 0.32 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 1yv6 h ASP 20 Cb 0.52 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1yv6 h ASP 20 CO -0.53 0.05 -0.58 -1.13 -1.72 0.00 0.00 179.24 175.33 1yv6 h ASN 21 N 0.00 0.00 -0.38 6.45 -0.73 -1.68 -3.36 115.58 115.88 1yv6 h ASN 21 Ca -0.00 -0.27 -0.16 0.00 1.87 0.00 0.00 56.30 57.74 1yv6 h ASN 21 Cb 0.28 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1yv6 h ASN 21 CO 0.01 0.95 -0.37 -0.29 -0.37 0.00 0.00 177.43 177.36 1yv6 h ILE 22 N -1.00 1.27 0.00 2.57 2.10 -1.22 -3.20 117.51 118.02 1yv6 h ILE 22 Ca -0.10 -1.54 0.00 0.00 1.08 0.00 0.00 64.86 64.29 1yv6 h ILE 22 Cb 0.71 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.80 1yv6 h ILE 22 CO -0.06 0.52 0.00 -0.07 -1.08 0.00 0.00 178.15 177.46 1yv6 h LEU 23 N 0.77 0.00 -0.38 2.19 -0.00 -1.29 -2.81 115.31 113.78 1yv6 h LEU 23 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 1yv6 h LEU 23 Cb 0.96 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.62 1yv6 h LEU 23 CO 0.09 0.00 -0.16 -1.54 -0.00 0.00 0.00 178.44 176.83 1yv6 n SER 24 N -2.41 0.75 -4.83 -0.43 3.41 -1.21 -0.51 113.62 108.39 1yv6 n SER 24 Ca 0.02 -0.76 -0.29 0.00 -0.26 0.00 0.00 58.87 57.58 1yv6 n SER 24 Cb 0.28 0.02 0.09 0.00 -0.26 0.00 0.00 64.21 64.34 1yv6 n SER 24 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1yv6 s THR 25 N -2.45 2.69 0.50 6.66 -4.23 -1.06 -4.70 115.64 113.05 1yv6 s THR 25 Ca 0.28 0.23 0.20 0.00 -1.18 0.00 0.00 61.69 61.21 1yv6 s THR 25 Cb 0.20 -3.07 0.27 0.00 1.34 0.00 0.00 72.50 71.23 1yv6 s THR 25 CO 0.48 -0.29 2.12 0.78 -0.54 0.00 0.00 174.62 177.17 1yv6 h ASN 26 N -1.10 0.00 -0.24 3.99 2.35 -1.90 0.14 115.58 118.82 1yv6 h ASN 26 Ca -0.47 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.19 1yv6 h ASN 26 Cb 1.29 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.65 1yv6 h ASN 26 CO 0.62 0.07 -0.13 0.25 -1.65 0.00 0.00 177.43 176.59 1yv6 h LEU 27 N 0.00 0.64 0.00 1.61 5.85 -1.93 -3.25 115.31 118.23 1yv6 h LEU 27 Ca -0.00 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1yv6 h LEU 27 Cb 0.13 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1yv6 h LEU 27 CO 0.01 0.79 -1.81 0.49 -0.34 0.00 0.00 178.44 177.58 1yv6 n PHE 28 N -4.17 0.00 -4.13 1.25 3.72 -1.10 -5.03 117.46 108.01 1yv6 n PHE 28 Ca 0.01 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.12 1yv6 n PHE 28 Cb 0.35 -0.43 -0.09 0.00 -0.94 0.00 0.00 39.48 38.37 1yv6 n PHE 28 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1yv6 n HIS 29 N -2.15 -1.11 -3.34 1.38 1.44 0.46 -1.74 115.22 110.17 1yv6 n HIS 29 Ca -0.06 0.55 -0.24 0.00 -2.01 0.00 0.00 57.72 55.96 1yv6 n HIS 29 Cb 0.51 -2.40 0.04 0.00 0.12 0.00 0.00 29.99 28.27 1yv6 n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yv6 s LYS 31 N -6.03 2.35 0.37 0.00 -2.85 -0.71 -4.70 119.74 108.18 1yv6 s LYS 31 Ca 0.44 1.29 0.11 0.00 -1.00 0.00 0.00 55.97 56.82 1yv6 s LYS 31 Cb -0.20 -1.90 0.89 0.00 -2.06 0.00 0.00 37.83 34.55 1yv6 s LYS 31 CO 0.55 -1.58 1.87 -0.44 0.10 0.00 0.00 175.35 175.84 1yv6 h ASP 32 N -0.75 0.59 -4.77 0.03 3.32 -1.93 -3.45 116.42 109.45 1yv6 h ASP 32 Ca -0.45 0.04 0.05 0.00 0.02 0.00 0.00 57.03 56.70 1yv6 h ASP 32 Cb 1.24 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1yv6 h ASP 32 CO 0.52 0.28 0.38 -1.59 -1.72 0.00 0.00 179.24 177.10 1yv6 s LYS 33 N -5.61 0.99 -0.21 3.56 0.00 -1.26 -0.66 119.74 116.55 1yv6 s LYS 33 Ca -0.09 -0.31 -0.17 0.00 0.00 0.00 0.00 55.97 55.39 1yv6 s LYS 33 Cb 0.22 0.46 0.06 0.00 0.00 0.00 0.00 37.83 38.57 1yv6 s LYS 33 CO 0.79 -0.42 0.55 1.21 0.00 0.00 0.00 175.35 177.47 1yv6 s ASN 34 N -2.44 -0.62 -0.19 0.03 2.47 -0.87 -5.01 114.94 108.31 1yv6 s ASN 34 Ca 0.02 1.14 -0.08 0.00 0.42 0.00 0.00 52.86 54.37 1yv6 s ASN 34 Cb -0.01 1.11 -0.04 0.00 -1.45 0.00 0.00 41.25 40.86 1yv6 s ASN 34 CO -0.09 -0.20 0.07 -0.89 -3.72 0.00 0.00 177.10 172.27 1yv6 s THR 35 N 0.68 4.78 0.00 -5.21 2.01 -1.26 -1.35 115.64 115.30 1yv6 s THR 35 Ca -0.03 -0.03 0.03 0.00 0.31 0.00 0.00 61.69 61.97 1yv6 s THR 35 Cb -0.05 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1yv6 s THR 35 CO -0.05 0.44 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.90 1yv6 s PHE 36 N 0.55 2.91 -0.24 4.92 0.40 0.35 -4.63 117.98 122.24 1yv6 s PHE 36 Ca 0.04 -0.02 -0.07 0.00 -0.60 0.00 0.00 56.93 56.27 1yv6 s PHE 36 Cb -0.13 -1.62 -0.03 0.00 0.51 0.00 0.00 43.02 41.76 1yv6 s PHE 36 CO 0.01 0.38 0.06 0.42 0.70 0.00 0.00 175.22 176.80 1yv6 s ILE 37 N -1.01 4.30 -0.76 0.64 1.01 0.16 -0.56 121.20 124.98 1yv6 s ILE 37 Ca 0.17 -0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.44 1yv6 s ILE 37 Cb -0.11 -3.00 0.10 0.00 0.01 0.00 0.00 42.46 39.46 1yv6 s ILE 37 CO 0.08 0.36 0.99 -0.47 0.00 0.00 0.00 174.94 175.90 1yv6 s TYR 38 N 1.48 2.89 0.06 3.97 5.04 -0.08 -1.68 117.35 129.03 1yv6 s TYR 38 Ca 0.06 -0.94 -0.27 0.00 -2.44 0.00 0.00 57.07 53.47 1yv6 s TYR 38 Cb -0.15 -4.25 0.09 0.00 0.35 0.00 0.00 41.96 38.00 1yv6 s TYR 38 CO 0.03 -1.54 0.96 0.45 -1.34 0.00 0.00 175.55 174.12 1yv6 s SER 39 N 3.66 -0.25 0.61 4.32 0.15 -1.23 -4.26 113.70 116.70 1yv6 s SER 39 Ca 0.25 -0.19 -0.15 0.00 0.70 0.00 0.00 55.95 56.56 1yv6 s SER 39 Cb -0.13 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.56 1yv6 s SER 39 CO 0.02 -0.71 1.06 -0.13 1.20 0.00 0.00 173.24 174.68 1yv6 s ARG 40 N -3.11 3.25 0.32 5.44 0.52 -1.26 -4.68 118.95 119.42 1yv6 s ARG 40 Ca 0.09 1.16 0.01 0.00 -0.52 0.00 0.00 55.73 56.48 1yv6 s ARG 40 Cb -0.01 -2.02 0.54 0.00 0.52 0.00 0.00 34.95 33.98 1yv6 s ARG 40 CO -0.03 -0.87 1.93 -1.35 0.02 0.00 0.00 175.30 175.00 1yv6 h PRO 41 N 0.24 0.80 -0.41 3.54 0.11 -1.99 -3.29 132.00 131.01 1yv6 h PRO 41 Ca -0.46 -0.10 0.01 0.00 0.11 0.00 0.00 66.00 65.56 1yv6 h PRO 41 Cb 1.22 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 1yv6 h PRO 41 CO 0.57 0.63 0.26 1.49 -0.21 0.00 0.00 178.00 180.74 1yv6 h GLU 42 N 0.80 0.51 0.00 1.05 4.57 -1.99 -0.58 114.58 118.95 1yv6 h GLU 42 Ca 0.20 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.32 1yv6 h GLU 42 Cb 0.09 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1yv6 h GLU 42 CO -0.03 0.34 -0.13 -1.35 -1.18 0.00 0.00 179.01 176.67 1yv6 h PRO 43 N 0.53 0.00 0.15 0.92 0.11 -1.97 -0.88 132.00 130.86 1yv6 h PRO 43 Ca 0.15 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.01 1yv6 h PRO 43 Cb -0.04 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.10 1yv6 h PRO 43 CO -0.05 0.13 -1.10 0.28 -0.21 0.00 0.00 178.00 177.05 1yv6 h VAL 44 N 0.00 1.37 -0.08 3.15 2.07 -1.58 -3.30 116.25 117.88 1yv6 h VAL 44 Ca -0.00 -2.50 -0.10 0.00 0.82 0.00 0.00 66.70 64.91 1yv6 h VAL 44 Cb 0.23 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1yv6 h VAL 44 CO 0.02 0.74 -0.41 0.50 0.02 0.00 0.00 177.57 178.44 1yv6 h LYS 45 N -0.01 0.17 0.00 1.57 3.64 -0.85 -2.92 116.57 118.17 1yv6 h LYS 45 Ca -0.18 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1yv6 h LYS 45 Cb 1.83 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1yv6 h LYS 45 CO 0.21 0.56 -0.01 0.00 -2.27 0.00 0.00 179.45 177.93 1yv6 h ALA 46 N 1.44 1.15 -0.72 5.00 0.00 -1.24 -2.36 119.26 122.53 1yv6 h ALA 46 Ca 0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1yv6 h ALA 46 Cb 0.79 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1yv6 h ALA 46 CO 0.06 0.02 0.47 0.82 0.00 0.00 0.00 179.25 180.62 1yv6 h ILE 47 N 0.00 1.04 -0.57 0.00 2.04 -1.61 -2.68 117.51 115.72 1yv6 h ILE 47 Ca -0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1yv6 h ILE 47 Cb 0.09 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1yv6 h ILE 47 CO 0.00 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1yv6 n LYS 49 N 1.38 2.33 0.00 0.00 4.81 -1.01 -2.14 118.16 123.53 1yv6 n LYS 49 Ca 0.21 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.49 1yv6 n LYS 49 Cb 0.55 -2.64 0.00 0.00 0.02 0.00 0.00 35.03 32.97 1yv6 n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yv6 n GLY 50 N 3.63 2.25 3.59 3.14 0.00 -1.26 -5.01 105.19 111.51 1yv6 n GLY 50 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1yv6 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yv6 s ILE 51 N -2.49 4.96 -0.04 -0.61 1.01 -0.91 -4.94 121.20 118.17 1yv6 s ILE 51 Ca 0.00 0.68 -0.03 0.00 0.00 0.00 0.00 60.65 61.30 1yv6 s ILE 51 Cb 0.00 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1yv6 s ILE 51 CO 0.00 -0.17 -0.06 -0.38 0.00 0.00 0.00 174.94 174.33 1yv6 n ILE 52 N 5.42 0.38 -2.23 2.92 2.08 -1.26 0.25 119.36 126.92 1yv6 n ILE 52 Ca -0.02 0.42 -0.36 0.00 0.56 0.00 0.00 62.75 63.35 1yv6 n ILE 52 Cb 0.49 -1.73 0.00 0.00 -0.75 0.00 0.00 39.64 37.65 1yv6 n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1yv6 s ALA 53 N -2.94 2.76 -0.03 -1.39 0.00 -1.26 -0.21 121.76 118.69 1yv6 s ALA 53 Ca -0.05 0.88 -0.37 0.00 0.00 0.00 0.00 51.96 52.43 1yv6 s ALA 53 Cb 0.01 -3.38 -0.15 0.00 0.00 0.00 0.00 23.12 19.60 1yv6 s ALA 53 CO 0.07 -0.79 1.58 0.43 0.00 0.00 0.00 175.76 177.06 1yv6 n SER 54 N -1.10 2.42 -3.68 0.00 7.64 -1.25 -4.69 113.62 112.95 1yv6 n SER 54 Ca 0.11 1.08 -0.11 0.00 1.01 0.00 0.00 58.87 60.95 1yv6 n SER 54 Cb 0.50 -1.25 -0.09 0.00 -1.01 0.00 0.00 64.21 62.36 1yv6 n SER 54 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1yv6 s LYS 55 N 1.96 0.57 0.05 1.43 2.20 -0.28 -4.97 119.74 120.70 1yv6 s LYS 55 Ca 0.88 0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 57.06 1yv6 s LYS 55 Cb -0.89 0.17 -0.05 0.00 -1.51 0.00 0.00 37.83 35.55 1yv6 s LYS 55 CO 0.51 -0.11 0.87 -0.80 -0.36 0.00 0.00 175.35 175.46 1yv6 s ASN 56 N 0.88 7.33 -0.01 1.43 0.02 -1.26 -0.26 114.94 123.06 1yv6 s ASN 56 Ca -0.05 1.60 0.03 0.00 -1.02 0.00 0.00 52.86 53.42 1yv6 s ASN 56 Cb -0.05 -2.53 -0.01 0.00 0.02 0.00 0.00 41.25 38.68 1yv6 s ASN 56 CO -0.07 -0.07 -0.10 -0.69 0.02 0.00 0.00 177.10 176.18 1yv6 s VAL 57 N 0.22 0.84 -0.18 1.60 1.01 0.19 -4.94 120.40 119.13 1yv6 s VAL 57 Ca 0.44 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.88 1yv6 s VAL 57 Cb -0.21 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.41 1yv6 s VAL 57 CO 0.26 0.24 0.16 -0.22 0.00 0.00 0.00 175.10 175.55 1yv6 s LEU 58 N -0.15 4.24 0.44 3.92 2.96 -1.26 -1.43 118.68 127.40 1yv6 s LEU 58 Ca 0.02 0.31 -0.26 0.00 -0.22 0.00 0.00 54.13 53.99 1yv6 s LEU 58 Cb -0.05 -2.14 -0.09 0.00 0.50 0.00 0.00 46.19 44.41 1yv6 s LEU 58 CO -0.00 0.19 1.44 0.42 -1.32 0.00 0.00 176.35 177.08 1yv6 s THR 59 N 0.22 2.03 -0.24 3.68 -4.23 -0.40 -4.92 115.64 111.78 1yv6 s THR 59 Ca 0.10 0.03 0.20 0.00 -1.18 0.00 0.00 61.69 60.84 1yv6 s THR 59 Cb -0.11 -3.02 0.06 0.00 1.34 0.00 0.00 72.50 70.77 1yv6 s THR 59 CO -0.00 0.00 1.21 0.71 -0.54 0.00 0.00 174.62 176.00 1yv6 h THR 60 N 2.39 0.30 -1.74 3.99 1.35 -1.97 -3.44 112.91 113.79 1yv6 h THR 60 Ca -0.51 -1.49 -0.51 0.00 -0.55 0.00 0.00 66.41 63.36 1yv6 h THR 60 Cb 1.26 1.93 -0.05 0.00 -1.73 0.00 0.00 68.15 69.57 1yv6 h THR 60 CO 0.61 0.17 -0.45 -0.44 -0.25 0.00 0.00 175.52 175.17 1yv6 s SER 61 N -5.89 5.05 0.05 5.36 0.01 -1.26 -5.11 113.70 111.91 1yv6 s SER 61 Ca 0.02 -0.65 -0.02 0.00 1.31 0.00 0.00 55.95 56.60 1yv6 s SER 61 Cb 0.08 -0.78 -0.04 0.00 0.21 0.00 0.00 66.02 65.49 1yv6 s SER 61 CO 0.76 -0.44 0.23 -1.61 0.41 0.00 0.00 173.24 172.59 1yv6 s GLU 62 N -4.00 3.48 0.24 12.44 2.02 -1.26 -4.56 118.70 127.04 1yv6 s GLU 62 Ca 0.42 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 55.14 1yv6 s GLU 62 Cb -0.04 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.11 1yv6 s GLU 62 CO 0.26 0.61 -0.07 -0.06 0.02 0.00 0.00 175.26 176.02 1yv6 s PHE 63 N -1.46 1.73 -0.19 1.61 0.40 -0.61 -4.91 117.98 114.54 1yv6 s PHE 63 Ca 0.33 -0.73 -0.28 0.00 -0.60 0.00 0.00 56.93 55.66 1yv6 s PHE 63 Cb -0.13 -0.94 -0.00 0.00 0.51 0.00 0.00 43.02 42.46 1yv6 s PHE 63 CO 0.24 0.20 0.96 0.71 0.70 0.00 0.00 175.22 178.03 1yv6 s TYR 64 N -3.13 3.40 -0.07 0.36 2.02 -1.26 -2.10 117.35 116.57 1yv6 s TYR 64 Ca 0.26 1.41 0.03 0.00 -0.37 0.00 0.00 57.07 58.41 1yv6 s TYR 64 Cb 0.03 -3.17 -0.02 0.00 -0.40 0.00 0.00 41.96 38.40 1yv6 s TYR 64 CO 0.09 -0.35 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.04 1yv6 s LEU 65 N 2.62 2.59 -0.26 -1.29 1.43 0.97 -0.91 118.68 123.84 1yv6 s LEU 65 Ca 0.43 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1yv6 s LEU 65 Cb -0.16 -1.53 0.07 0.00 0.03 0.00 0.00 46.19 44.60 1yv6 s LEU 65 CO 0.11 0.29 -0.07 -0.44 0.23 0.00 0.00 176.35 176.47 1yv6 s SER 66 N -0.40 4.30 -0.18 2.29 0.01 0.27 -1.22 113.70 118.78 1yv6 s SER 66 Ca 0.04 -1.43 -0.09 0.00 1.31 0.00 0.00 55.95 55.79 1yv6 s SER 66 Cb -0.12 -1.44 -0.05 0.00 0.21 0.00 0.00 66.02 64.63 1yv6 s SER 66 CO 0.02 -0.23 0.11 -1.81 0.41 0.00 0.00 173.24 171.74 1yv6 s ASP 67 N 1.17 6.06 -0.39 2.44 1.01 0.11 -0.50 116.67 126.59 1yv6 s ASP 67 Ca -0.05 0.23 -0.10 0.00 0.71 0.00 0.00 52.55 53.34 1yv6 s ASP 67 Cb -0.19 -2.03 0.04 0.00 1.01 0.00 0.00 42.92 41.75 1yv6 s ASP 67 CO -0.06 0.23 0.22 0.00 0.21 0.00 0.00 175.17 175.77 1yv6 s ASN 69 N 1.73 4.22 0.50 0.00 0.01 -0.80 -2.04 114.94 118.56 1yv6 s ASN 69 Ca 0.02 -0.25 -0.22 0.00 -0.71 0.00 0.00 52.86 51.69 1yv6 s ASN 69 Cb -0.20 -1.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.84 1yv6 s ASN 69 CO 0.05 0.19 1.25 0.54 -1.51 0.00 0.00 177.10 177.62 1yv6 s VAL 70 N 0.18 2.65 0.00 1.60 0.11 0.16 -1.20 120.40 123.91 1yv6 s VAL 70 Ca -0.06 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 1yv6 s VAL 70 Cb -0.15 -3.24 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1yv6 s VAL 70 CO 0.04 -0.01 0.00 0.35 -3.33 0.00 0.00 175.10 172.15 1yv6 n THR 71 N -0.78 0.00 1.03 5.04 -2.24 -0.03 -4.84 114.28 112.45 1yv6 n THR 71 Ca 0.09 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.00 1yv6 n THR 71 Cb 0.47 -1.21 0.61 0.00 -2.10 0.00 0.00 70.33 68.09 1yv6 n THR 71 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1yv6 n SER 72 N -0.03 0.00 -4.50 3.42 3.41 -1.26 -4.60 113.62 110.06 1yv6 n SER 72 Ca 0.00 0.34 -0.37 0.00 -0.26 0.00 0.00 58.87 58.59 1yv6 n SER 72 Cb 0.00 -0.44 -0.12 0.00 -0.26 0.00 0.00 64.21 63.39 1yv6 n SER 72 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1yv6 s ARG 73 N -2.89 3.75 0.17 4.33 0.52 -1.26 -5.06 118.95 118.51 1yv6 s ARG 73 Ca 0.16 -0.43 -0.34 0.00 -0.52 0.00 0.00 55.73 54.61 1yv6 s ARG 73 Cb 0.18 -3.38 -0.15 0.00 0.52 0.00 0.00 34.95 32.13 1yv6 s ARG 73 CO 0.47 -0.13 1.40 -2.30 0.02 0.00 0.00 175.30 174.76 1yv6 n PRO 74 N 4.77 1.70 -1.97 3.54 -0.02 -1.26 -2.15 135.00 139.62 1yv6 n PRO 74 Ca -0.16 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.74 1yv6 n PRO 74 Cb 0.52 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1yv6 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yv6 s LYS 76 N -4.30 2.69 0.38 0.00 -0.14 -0.91 -4.82 119.74 112.63 1yv6 s LYS 76 Ca 0.00 -0.74 0.07 0.00 -1.36 0.00 0.00 55.97 53.94 1yv6 s LYS 76 Cb 0.00 -2.15 -0.07 0.00 -1.68 0.00 0.00 37.83 33.93 1yv6 s LYS 76 CO 0.00 0.04 -0.01 0.71 -0.76 0.00 0.00 175.35 175.33 1yv6 s TYR 77 N 0.70 2.39 -0.05 3.18 1.51 -1.26 -0.85 117.35 122.96 1yv6 s TYR 77 Ca -0.11 -0.67 0.06 0.00 -1.01 0.00 0.00 57.07 55.33 1yv6 s TYR 77 Cb -0.16 -1.59 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1yv6 s TYR 77 CO 0.02 0.41 -0.23 0.15 -1.11 0.00 0.00 175.55 174.79 1yv6 s LYS 78 N -3.71 2.39 -0.15 -0.62 1.02 -0.34 -4.87 119.74 113.45 1yv6 s LYS 78 Ca 0.34 -0.84 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 1yv6 s LYS 78 Cb 0.08 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.32 1yv6 s LYS 78 CO 0.17 0.35 0.44 -1.17 -0.92 0.00 0.00 175.35 174.22 1yv6 s LEU 79 N -0.11 4.22 -0.15 3.17 2.96 -1.26 -1.91 118.68 125.60 1yv6 s LEU 79 Ca -0.04 0.69 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 1yv6 s LEU 79 Cb -0.13 -2.61 0.02 0.00 0.50 0.00 0.00 46.19 43.96 1yv6 s LEU 79 CO 0.03 -0.03 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.09 1yv6 s LYS 80 N 0.91 2.82 -0.10 1.98 2.36 -0.02 -4.97 119.74 122.73 1yv6 s LYS 80 Ca 0.23 -0.77 -0.04 0.00 -2.55 0.00 0.00 55.97 52.83 1yv6 s LYS 80 Cb -0.15 -2.38 -0.04 0.00 -1.05 0.00 0.00 37.83 34.22 1yv6 s LYS 80 CO 0.09 -0.12 0.06 0.15 1.55 0.00 0.00 175.35 177.07 1yv6 s LYS 81 N 1.11 3.21 0.35 4.03 1.02 -1.26 -0.71 119.74 127.48 1yv6 s LYS 81 Ca -0.01 -0.29 -0.16 0.00 0.02 0.00 0.00 55.97 55.53 1yv6 s LYS 81 Cb -0.14 -2.97 0.04 0.00 -0.52 0.00 0.00 37.83 34.24 1yv6 s LYS 81 CO -0.07 0.72 0.74 -1.54 -0.92 0.00 0.00 175.35 174.27 1yv6 s SER 82 N -0.90 -0.00 -0.09 2.83 1.04 -0.36 -5.01 113.70 111.22 1yv6 s SER 82 Ca 0.14 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.55 1yv6 s SER 82 Cb -0.12 0.80 0.02 0.00 0.10 0.00 0.00 66.02 66.82 1yv6 s SER 82 CO 0.03 -1.56 -0.12 0.42 0.98 0.00 0.00 173.24 172.99 1yv6 s THR 83 N -2.83 1.20 0.24 2.02 -4.23 -1.26 -0.02 115.64 110.76 1yv6 s THR 83 Ca 0.16 -0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 59.97 1yv6 s THR 83 Cb -0.05 -1.12 0.05 0.00 1.34 0.00 0.00 72.50 72.73 1yv6 s THR 83 CO 0.11 0.38 0.89 0.21 -0.54 0.00 0.00 174.62 175.67 1yv6 s ASN 84 N 0.95 -0.12 0.40 3.99 3.84 -0.89 -4.92 114.94 118.19 1yv6 s ASN 84 Ca -0.09 -0.66 -0.02 0.00 0.21 0.00 0.00 52.86 52.30 1yv6 s ASN 84 Cb -0.15 0.62 -0.03 0.00 -0.55 0.00 0.00 41.25 41.14 1yv6 s ASN 84 CO 0.00 -1.19 0.64 -0.54 -2.79 0.00 0.00 177.10 173.22 1yv6 s LYS 85 N -2.98 3.48 0.12 0.43 1.02 -1.26 -1.58 119.74 118.97 1yv6 s LYS 85 Ca 0.15 -0.15 -0.03 0.00 0.02 0.00 0.00 55.97 55.95 1yv6 s LYS 85 Cb -0.03 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1yv6 s LYS 85 CO 0.06 0.00 0.10 -0.59 -0.92 0.00 0.00 175.35 174.00 1yv6 s PHE 86 N -2.48 0.64 -0.14 3.18 -0.12 -1.26 -0.24 117.98 117.55 1yv6 s PHE 86 Ca 0.43 -1.05 -0.03 0.00 -0.05 0.00 0.00 56.93 56.23 1yv6 s PHE 86 Cb -0.10 -0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 41.93 1yv6 s PHE 86 CO 0.39 -0.54 -0.03 0.00 -0.05 0.00 0.00 175.22 174.99 1yv6 s VAL 88 N 0.17 1.12 -0.26 0.00 -7.23 -0.51 -0.87 120.40 112.82 1yv6 s VAL 88 Ca -0.01 -1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 1yv6 s VAL 88 Cb -0.14 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 1yv6 s VAL 88 CO 0.03 -0.65 0.40 -0.89 -0.31 0.00 0.00 175.10 173.68 1yv6 s THR 89 N -2.93 5.16 -0.13 5.32 2.01 0.12 -0.64 115.64 124.55 1yv6 s THR 89 Ca 0.12 0.64 -0.12 0.00 0.31 0.00 0.00 61.69 62.65 1yv6 s THR 89 Cb 0.00 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1yv6 s THR 89 CO 0.01 0.15 0.26 0.00 -0.69 0.00 0.00 174.62 174.34 1yv6 s GLU 91 N -0.15 0.19 -1.32 0.00 2.12 -0.57 -1.13 118.70 117.84 1yv6 s GLU 91 Ca 0.16 0.65 -0.07 0.00 0.36 0.00 0.00 54.97 56.07 1yv6 s GLU 91 Cb -0.13 -0.07 -0.00 0.00 0.26 0.00 0.00 34.13 34.19 1yv6 s GLU 91 CO 0.05 -0.22 0.53 -1.71 -0.54 0.00 0.00 175.26 173.37 1yv6 n ASN 92 N 4.78 -1.82 -1.53 -1.70 5.15 0.71 -2.53 115.26 118.32 1yv6 n ASN 92 Ca -0.16 -1.02 -0.17 0.00 -0.60 0.00 0.00 54.58 52.63 1yv6 n ASN 92 Cb 0.51 -3.09 -0.05 0.00 -0.53 0.00 0.00 39.78 36.63 1yv6 n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yv6 n GLN 93 N -4.37 -1.23 -3.75 1.20 6.02 0.14 -4.98 117.38 110.41 1yv6 n GLN 93 Ca -0.24 0.98 -0.14 0.00 -0.01 0.00 0.00 57.00 57.59 1yv6 n GLN 93 Cb 0.66 -5.27 -0.09 0.00 1.02 0.00 0.00 30.24 26.56 1yv6 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yv6 s ALA 94 N -2.70 -0.84 0.08 -1.58 0.00 -1.05 -4.37 121.76 111.30 1yv6 s ALA 94 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.07 1yv6 s ALA 94 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 23.08 1yv6 s ALA 94 CO 0.00 -0.26 1.29 -2.14 0.00 0.00 0.00 175.76 174.65 1yv6 s PRO 95 N -1.22 4.37 0.00 0.00 0.02 -1.26 -1.52 135.00 135.39 1yv6 s PRO 95 Ca -0.13 1.92 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1yv6 s PRO 95 Cb -0.05 -3.31 0.00 0.00 0.02 0.00 0.00 34.50 31.16 1yv6 s PRO 95 CO 0.04 -0.35 0.00 1.33 -0.33 0.00 0.00 177.00 177.69 1yv6 n VAL 96 N 3.97 0.00 -3.74 3.83 0.24 0.11 -3.93 118.33 118.81 1yv6 n VAL 96 Ca 0.10 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.34 61.92 1yv6 n VAL 96 Cb 0.44 0.86 -0.09 0.00 -1.47 0.00 0.00 33.84 33.59 1yv6 n VAL 96 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1yv6 s HIS 97 N -1.18 -0.29 -0.24 6.34 3.76 -1.22 -3.96 115.29 118.50 1yv6 s HIS 97 Ca 0.00 0.56 -0.09 0.00 -0.15 0.00 0.00 55.06 55.37 1yv6 s HIS 97 Cb 0.00 0.14 -0.04 0.00 1.11 0.00 0.00 32.58 33.78 1yv6 s HIS 97 CO 0.00 -0.35 0.13 0.12 -0.85 0.00 0.00 174.74 173.78 1yv6 s PHE 98 N -0.88 3.24 -0.19 1.40 2.19 -1.26 -0.70 117.98 121.78 1yv6 s PHE 98 Ca -0.09 0.05 -0.15 0.00 0.33 0.00 0.00 56.93 57.06 1yv6 s PHE 98 Cb -0.04 -2.25 -0.10 0.00 -1.31 0.00 0.00 43.02 39.32 1yv6 s PHE 98 CO 0.04 -0.05 -0.07 0.28 1.83 0.00 0.00 175.22 177.25 1yv6 n VAL 99 N 4.42 1.48 -3.80 3.12 0.31 -0.05 -4.95 118.33 118.87 1yv6 n VAL 99 Ca -0.15 0.05 0.04 0.00 -0.01 0.00 0.00 64.34 64.27 1yv6 n VAL 99 Cb 0.52 -2.20 0.01 0.00 -0.91 0.00 0.00 33.84 31.26 1yv6 n VAL 99 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yv6 s GLY 100 N -4.70 -0.35 -0.10 2.92 0.00 -1.12 -4.99 107.32 98.98 1yv6 s GLY 100 Ca -0.25 0.54 -0.10 0.00 0.00 0.00 0.00 44.72 44.92 1yv6 s GLY 100 CO 0.41 3.62 0.21 0.14 0.00 0.00 0.00 173.10 177.49 1yv6 s VAL 101 N -2.02 5.37 0.00 1.40 1.01 -1.26 -0.11 120.40 124.79 1yv6 s VAL 101 Ca 0.24 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.60 1yv6 s VAL 101 Cb 0.04 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1yv6 s VAL 101 CO -0.05 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1yv6 n GLY 102 N 2.23 2.53 3.49 4.51 0.00 0.66 -4.92 105.19 113.69 1yv6 n GLY 102 Ca -0.17 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1yv6 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yv6 s SER 103 N 0.24 -0.46 0.00 1.61 0.15 -1.26 -4.88 113.70 109.09 1yv6 s SER 103 Ca 0.00 -0.04 0.25 0.00 0.70 0.00 0.00 55.95 56.85 1yv6 s SER 103 Cb 0.00 0.52 0.32 0.00 -1.71 0.00 0.00 66.02 65.15 1yv6 s SER 103 CO 0.00 -0.85 1.33 0.00 1.20 0.00 0.00 173.24 174.93