#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yv4 h TRP 3 N 0.00 0.69 -0.61 2.11 -0.00 -1.89 -0.29 115.95 115.96 1yv4 h TRP 3 Ca 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.89 58.76 1yv4 h TRP 3 Cb 0.00 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.16 28.95 1yv4 h TRP 3 CO 0.00 0.71 0.31 1.25 -0.00 0.00 0.00 178.44 180.71 1yv4 h LEU 4 N 0.59 0.78 -0.14 0.65 5.85 -2.00 -1.70 115.31 119.34 1yv4 h LEU 4 Ca 0.11 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.56 1yv4 h LEU 4 Cb 0.51 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.35 1yv4 h LEU 4 CO 0.03 0.67 -0.53 0.74 -0.34 0.00 0.00 178.44 179.01 1yv4 h THR 5 N 0.83 1.34 -0.93 1.05 2.02 -1.91 -2.60 112.91 112.70 1yv4 h THR 5 Ca 0.21 -1.81 0.11 0.00 0.77 0.00 0.00 66.41 65.69 1yv4 h THR 5 Cb 0.08 2.07 -0.08 0.00 -1.74 0.00 0.00 68.15 68.48 1yv4 h THR 5 CO -0.03 0.55 0.57 0.15 0.37 0.00 0.00 175.52 177.13 1yv4 h PHE 6 N 0.25 1.03 -0.63 3.16 3.57 -0.93 0.61 116.94 123.99 1yv4 h PHE 6 Ca -0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 1yv4 h PHE 6 Cb 1.16 -0.32 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1yv4 h PHE 6 CO 0.10 0.42 0.14 1.96 -2.23 0.00 0.00 178.31 178.71 1yv4 h GLN 7 N 0.93 1.02 -0.31 1.11 4.20 -1.08 0.26 115.11 121.23 1yv4 h GLN 7 Ca 0.45 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 1yv4 h GLN 7 Cb 0.42 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1yv4 h GLN 7 CO -0.25 0.92 -0.25 0.87 -0.67 0.00 0.00 178.83 179.46 1yv4 h LYS 8 N 0.93 0.61 0.00 1.46 1.57 -1.00 -1.90 116.57 118.24 1yv4 h LYS 8 Ca 0.20 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1yv4 h LYS 8 Cb 0.37 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1yv4 h LYS 8 CO 0.00 0.80 -0.87 0.87 -0.57 0.00 0.00 179.45 179.69 1yv4 h LYS 9 N 0.53 0.00 0.00 3.15 1.57 -0.64 -3.42 116.57 117.77 1yv4 h LYS 9 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1yv4 h LYS 9 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1yv4 h LYS 9 CO 0.05 0.20 0.00 0.72 -0.57 0.00 0.00 179.45 179.86 1yv4 n HIS 10 N -2.93 0.00 -5.09 -1.35 8.25 0.06 -4.81 115.22 109.35 1yv4 n HIS 10 Ca -0.02 -0.02 -0.29 0.00 -0.26 0.00 0.00 57.72 57.12 1yv4 n HIS 10 Cb 0.68 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.62 1yv4 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1yv4 s ILE 11 N -0.05 1.80 0.06 1.59 1.01 -0.72 -0.34 121.20 124.56 1yv4 s ILE 11 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 60.65 59.81 1yv4 s ILE 11 Cb 0.00 -1.54 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1yv4 s ILE 11 CO 0.00 0.51 -0.22 0.28 0.00 0.00 0.00 174.94 175.51 1yv4 s THR 12 N 0.00 1.77 -1.12 2.92 -1.32 0.15 -4.77 115.64 113.27 1yv4 s THR 12 Ca -0.06 -1.32 0.25 0.00 -1.21 0.00 0.00 61.69 59.35 1yv4 s THR 12 Cb -0.14 -1.55 0.02 0.00 -1.51 0.00 0.00 72.50 69.32 1yv4 s THR 12 CO 0.04 0.17 1.37 0.59 -2.21 0.00 0.00 174.62 174.59 1yv4 n ASN 13 N 1.65 0.65 -4.19 8.08 3.02 -1.26 -2.63 115.26 120.58 1yv4 n ASN 13 Ca -0.18 -0.44 -0.26 0.00 -0.03 0.00 0.00 54.58 53.68 1yv4 n ASN 13 Cb 0.53 0.32 -0.15 0.00 -0.61 0.00 0.00 39.78 39.87 1yv4 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1yv4 s THR 14 N -2.92 1.49 0.17 3.41 -1.32 -1.26 -4.95 115.64 110.25 1yv4 s THR 14 Ca 0.13 -0.85 -0.08 0.00 -1.21 0.00 0.00 61.69 59.67 1yv4 s THR 14 Cb 0.18 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 1yv4 s THR 14 CO 0.69 0.38 1.51 -0.09 -2.21 0.00 0.00 174.62 174.90 1yv4 h ARG 15 N 5.56 0.82 -4.11 7.08 9.65 -1.97 -3.36 114.38 128.05 1yv4 h ARG 15 Ca -0.38 -0.43 -0.74 0.00 -1.10 0.00 0.00 59.98 57.32 1yv4 h ARG 15 Cb 1.15 0.01 -0.15 0.00 -1.39 0.00 0.00 29.97 29.60 1yv4 h ARG 15 CO 0.47 1.07 1.92 -0.25 2.80 0.00 0.00 179.97 185.98 1yv4 n ASP 16 N -4.04 5.02 -4.77 -3.80 8.00 -1.26 -4.79 116.55 110.90 1yv4 n ASP 16 Ca -0.02 -3.03 -0.41 0.00 0.71 0.00 0.00 54.79 52.04 1yv4 n ASP 16 Cb 0.54 -1.54 -0.01 0.00 -0.02 0.00 0.00 41.12 40.08 1yv4 n ASP 16 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1yv4 s VAL 17 N 1.27 2.41 -1.24 2.53 1.01 -1.26 -4.86 120.40 120.26 1yv4 s VAL 17 Ca 0.42 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 1yv4 s VAL 17 Cb 0.06 -3.25 0.14 0.00 0.00 0.00 0.00 36.38 33.33 1yv4 s VAL 17 CO 0.00 0.08 1.52 -0.62 0.00 0.00 0.00 175.10 176.09 1yv4 s ASP 18 N -0.09 7.01 0.29 3.32 -1.08 -1.26 -4.81 116.67 120.05 1yv4 s ASP 18 Ca 0.54 -2.85 0.01 0.00 -0.52 0.00 0.00 52.55 49.73 1yv4 s ASP 18 Cb -0.43 -2.45 0.53 0.00 -1.46 0.00 0.00 42.92 39.11 1yv4 s ASP 18 CO 0.54 -0.87 1.88 0.00 0.52 0.00 0.00 175.17 177.24 1yv4 h ASP 20 N 1.03 0.09 0.01 0.00 5.19 -1.87 0.63 116.42 121.49 1yv4 h ASP 20 Ca 0.43 -0.05 -0.00 0.00 -0.62 0.00 0.00 57.03 56.79 1yv4 h ASP 20 Cb 0.31 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.80 1yv4 h ASP 20 CO -0.19 0.66 -0.00 -1.13 -3.12 0.00 0.00 179.24 175.45 1yv4 h ASN 21 N 0.06 -0.01 -0.59 6.45 -1.24 -1.75 -3.29 115.58 115.20 1yv4 h ASN 21 Ca -0.01 -0.33 -0.08 0.00 0.71 0.00 0.00 56.30 56.60 1yv4 h ASN 21 Cb 1.06 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.09 1yv4 h ASN 21 CO 0.08 0.65 0.07 -0.29 -1.29 0.00 0.00 177.43 176.65 1yv4 h ILE 22 N -1.00 1.26 0.00 2.57 2.10 -1.14 -2.46 117.51 118.84 1yv4 h ILE 22 Ca -0.00 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 64.90 1yv4 h ILE 22 Cb 0.34 0.78 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1yv4 h ILE 22 CO 0.00 0.38 0.00 0.18 -1.08 0.00 0.00 178.15 177.63 1yv4 n LEU 23 N -4.28 0.00 0.09 2.19 4.77 0.21 -2.22 117.00 117.75 1yv4 n LEU 23 Ca 0.03 0.23 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 1yv4 n LEU 23 Cb 0.29 -0.23 0.41 0.00 -2.33 0.00 0.00 43.42 41.57 1yv4 n LEU 23 CO 0.42 -0.02 0.85 -1.54 -1.33 0.00 0.00 177.39 175.77 1yv4 n SER 24 N -1.23 0.72 -4.82 -1.43 3.41 -0.93 -0.66 113.62 108.68 1yv4 n SER 24 Ca 0.15 0.52 -0.30 0.00 -0.26 0.00 0.00 58.87 58.98 1yv4 n SER 24 Cb 0.20 -0.68 0.09 0.00 -0.26 0.00 0.00 64.21 63.56 1yv4 n SER 24 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1yv4 s THR 25 N -3.09 3.09 0.49 6.66 -4.23 -0.94 -4.59 115.64 113.02 1yv4 s THR 25 Ca 0.11 0.35 0.15 0.00 -1.18 0.00 0.00 61.69 61.12 1yv4 s THR 25 Cb 0.13 -3.14 0.29 0.00 1.34 0.00 0.00 72.50 71.12 1yv4 s THR 25 CO 0.60 -0.46 2.09 0.78 -0.54 0.00 0.00 174.62 177.09 1yv4 h ASN 26 N -1.04 0.14 -0.10 3.99 2.35 -1.90 0.21 115.58 119.24 1yv4 h ASN 26 Ca -0.47 -0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.31 1yv4 h ASN 26 Cb 1.27 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 1yv4 h ASN 26 CO 0.60 0.10 0.07 0.25 -1.65 0.00 0.00 177.43 176.80 1yv4 h LEU 27 N 0.17 0.00 0.00 1.61 5.85 -1.92 -3.24 115.31 117.77 1yv4 h LEU 27 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1yv4 h LEU 27 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1yv4 h LEU 27 CO -0.02 0.00 -0.99 0.49 -0.34 0.00 0.00 178.44 177.58 1yv4 n PHE 28 N -4.45 0.00 -4.27 1.25 3.72 -0.68 -5.04 117.46 107.98 1yv4 n PHE 28 Ca -0.01 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.05 1yv4 n PHE 28 Cb 0.19 -0.05 -0.06 0.00 -0.94 0.00 0.00 39.48 38.62 1yv4 n PHE 28 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1yv4 n HIS 29 N -1.52 -1.45 -3.01 1.38 1.44 0.66 -1.46 115.22 111.26 1yv4 n HIS 29 Ca -0.00 0.71 -0.22 0.00 -2.01 0.00 0.00 57.72 56.20 1yv4 n HIS 29 Cb 0.06 -2.81 0.02 0.00 0.12 0.00 0.00 29.99 27.38 1yv4 n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1yv4 s LYS 31 N -5.67 0.65 0.35 0.00 -2.85 -0.54 -4.62 119.74 107.07 1yv4 s LYS 31 Ca 0.27 1.30 0.11 0.00 -1.00 0.00 0.00 55.97 56.65 1yv4 s LYS 31 Cb -0.13 -1.70 0.64 0.00 -2.06 0.00 0.00 37.83 34.58 1yv4 s LYS 31 CO 0.34 -2.80 1.79 -0.44 0.10 0.00 0.00 175.35 174.34 1yv4 h ASP 32 N -1.98 0.06 -4.27 0.03 5.19 -1.93 -3.46 116.42 110.07 1yv4 h ASP 32 Ca -0.48 -0.02 -0.11 0.00 -0.62 0.00 0.00 57.03 55.80 1yv4 h ASP 32 Cb 1.28 -0.02 -0.22 0.00 0.18 0.00 0.00 39.33 40.55 1yv4 h ASP 32 CO 0.45 0.45 -0.17 -0.75 -3.12 0.00 0.00 179.24 176.10 1yv4 s LYS 33 N -4.17 0.62 -0.14 3.56 2.47 -1.26 -0.80 119.74 120.02 1yv4 s LYS 33 Ca -0.03 0.40 -0.08 0.00 -1.56 0.00 0.00 55.97 54.70 1yv4 s LYS 33 Cb 0.14 0.29 0.05 0.00 -1.46 0.00 0.00 37.83 36.85 1yv4 s LYS 33 CO 0.74 -0.12 0.33 1.21 0.16 0.00 0.00 175.35 177.67 1yv4 s ASN 34 N -0.27 -0.39 -0.19 1.43 2.47 -0.49 -5.00 114.94 112.49 1yv4 s ASN 34 Ca -0.04 0.71 -0.09 0.00 0.42 0.00 0.00 52.86 53.86 1yv4 s ASN 34 Cb -0.03 0.62 -0.05 0.00 -1.45 0.00 0.00 41.25 40.34 1yv4 s ASN 34 CO 0.02 -0.17 0.11 -0.89 -3.72 0.00 0.00 177.10 172.46 1yv4 s THR 35 N 1.13 5.24 0.04 -5.21 2.01 -1.26 -1.39 115.64 116.20 1yv4 s THR 35 Ca -0.08 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1yv4 s THR 35 Cb -0.08 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1yv4 s THR 35 CO -0.09 0.46 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.75 1yv4 s PHE 36 N 0.25 2.53 -0.25 4.92 0.40 0.11 -4.60 117.98 121.35 1yv4 s PHE 36 Ca 0.07 -0.27 -0.09 0.00 -0.60 0.00 0.00 56.93 56.04 1yv4 s PHE 36 Cb -0.11 -1.46 -0.04 0.00 0.51 0.00 0.00 43.02 41.92 1yv4 s PHE 36 CO -0.01 0.23 0.12 0.42 0.70 0.00 0.00 175.22 176.68 1yv4 s ILE 37 N -0.90 4.83 -0.63 0.64 1.01 0.54 -0.24 121.20 126.46 1yv4 s ILE 37 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.57 1yv4 s ILE 37 Cb -0.10 -3.27 0.07 0.00 0.01 0.00 0.00 42.46 39.17 1yv4 s ILE 37 CO 0.05 0.32 0.92 -0.47 0.00 0.00 0.00 174.94 175.76 1yv4 s TYR 38 N 1.45 2.74 -0.17 3.97 5.04 -0.20 -0.68 117.35 129.50 1yv4 s TYR 38 Ca 0.06 -0.48 -0.32 0.00 -2.44 0.00 0.00 57.07 53.89 1yv4 s TYR 38 Cb -0.15 -4.19 0.14 0.00 0.35 0.00 0.00 41.96 38.11 1yv4 s TYR 38 CO 0.06 -1.53 1.13 0.45 -1.34 0.00 0.00 175.55 174.31 1yv4 s SER 39 N 3.47 -0.22 0.77 4.32 0.15 -1.08 -4.52 113.70 116.59 1yv4 s SER 39 Ca 0.22 0.13 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 1yv4 s SER 39 Cb -0.17 0.21 0.06 0.00 -1.71 0.00 0.00 66.02 64.40 1yv4 s SER 39 CO 0.12 -0.29 1.08 0.00 1.20 0.00 0.00 173.24 175.35 1yv4 s ARG 40 N -1.87 2.28 0.31 5.44 1.70 -1.26 -4.50 118.95 121.05 1yv4 s ARG 40 Ca 0.05 1.05 -0.01 0.00 -0.47 0.00 0.00 55.73 56.35 1yv4 s ARG 40 Cb -0.01 -1.91 0.48 0.00 -0.57 0.00 0.00 34.95 32.95 1yv4 s ARG 40 CO -0.04 -1.59 1.98 -1.35 -1.08 0.00 0.00 175.30 173.21 1yv4 h PRO 41 N -1.09 1.03 -0.69 3.89 0.11 -1.99 -3.34 132.00 129.93 1yv4 h PRO 41 Ca -0.44 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.53 1yv4 h PRO 41 Cb 1.23 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.08 1yv4 h PRO 41 CO 0.53 0.68 0.15 1.49 -0.21 0.00 0.00 178.00 180.65 1yv4 h GLU 42 N 1.06 1.11 0.00 1.05 4.22 -1.99 -0.63 114.58 119.40 1yv4 h GLU 42 Ca 0.29 -0.28 -0.03 0.00 0.08 0.00 0.00 59.36 59.42 1yv4 h GLU 42 Cb -0.12 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1yv4 h GLU 42 CO -0.06 0.99 -0.13 -1.35 -2.18 0.00 0.00 179.01 176.29 1yv4 h PRO 43 N 1.05 0.00 0.15 0.92 0.11 -1.98 0.04 132.00 132.29 1yv4 h PRO 43 Ca 0.21 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 66.12 1yv4 h PRO 43 Cb 0.40 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.53 1yv4 h PRO 43 CO 0.01 0.13 -0.90 0.28 -0.21 0.00 0.00 178.00 177.30 1yv4 h VAL 44 N 0.00 1.48 -0.80 3.15 2.07 -1.48 -3.23 116.25 117.44 1yv4 h VAL 44 Ca -0.00 -2.55 0.06 0.00 0.82 0.00 0.00 66.70 65.03 1yv4 h VAL 44 Cb 0.31 3.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 1yv4 h VAL 44 CO 0.02 0.73 0.52 0.50 0.02 0.00 0.00 177.57 179.36 1yv4 h LYS 45 N -0.32 0.85 -0.01 1.57 3.64 -0.45 -1.87 116.57 119.99 1yv4 h LYS 45 Ca -0.16 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1yv4 h LYS 45 Cb 1.70 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1yv4 h LYS 45 CO 0.16 0.56 0.09 0.00 -2.27 0.00 0.00 179.45 178.00 1yv4 h ALA 46 N 1.56 1.13 -0.43 5.00 0.00 -1.03 -1.40 119.26 124.09 1yv4 h ALA 46 Ca 0.34 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.37 1yv4 h ALA 46 Cb 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1yv4 h ALA 46 CO -0.12 -0.10 0.31 0.82 0.00 0.00 0.00 179.25 180.16 1yv4 h ILE 47 N 0.00 0.80 -0.53 0.00 2.04 -1.40 -2.32 117.51 116.09 1yv4 h ILE 47 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1yv4 h ILE 47 Cb 0.19 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1yv4 h ILE 47 CO -0.00 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1yv4 n LYS 49 N 1.33 2.28 0.00 0.00 3.00 -0.88 -1.52 118.16 122.38 1yv4 n LYS 49 Ca 0.20 0.82 0.00 0.00 -0.00 0.00 0.00 58.31 59.33 1yv4 n LYS 49 Cb 0.56 -2.61 0.00 0.00 0.00 0.00 0.00 35.03 32.98 1yv4 n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yv4 n GLY 50 N 3.59 1.62 3.54 3.14 0.00 -1.26 -5.01 105.19 110.82 1yv4 n GLY 50 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1yv4 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yv4 s ILE 51 N -2.53 5.14 -0.07 -0.61 1.01 -0.57 -4.93 121.20 118.63 1yv4 s ILE 51 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.67 1yv4 s ILE 51 Cb 0.00 -3.86 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 1yv4 s ILE 51 CO 0.00 -0.13 -0.11 -0.38 0.00 0.00 0.00 174.94 174.32 1yv4 n ILE 52 N 5.28 0.62 -2.02 2.92 2.08 -1.26 -0.42 119.36 126.56 1yv4 n ILE 52 Ca -0.08 0.36 -0.37 0.00 0.56 0.00 0.00 62.75 63.22 1yv4 n ILE 52 Cb 0.49 -1.87 0.02 0.00 -0.75 0.00 0.00 39.64 37.53 1yv4 n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1yv4 s ALA 53 N -2.92 2.73 0.16 -1.39 0.00 -1.26 -0.52 121.76 118.55 1yv4 s ALA 53 Ca -0.09 1.08 -0.34 0.00 0.00 0.00 0.00 51.96 52.61 1yv4 s ALA 53 Cb 0.01 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.52 1yv4 s ALA 53 CO 0.14 -1.09 1.48 0.45 0.00 0.00 0.00 175.76 176.74 1yv4 n SER 54 N -1.16 2.67 -3.64 0.00 2.88 -1.26 -4.72 113.62 108.39 1yv4 n SER 54 Ca 0.11 1.10 -0.11 0.00 -1.33 0.00 0.00 58.87 58.65 1yv4 n SER 54 Cb 0.48 -1.37 -0.07 0.00 -0.75 0.00 0.00 64.21 62.49 1yv4 n SER 54 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 1yv4 s LYS 55 N 0.53 0.74 0.04 -1.46 2.20 -0.56 -4.99 119.74 116.23 1yv4 s LYS 55 Ca 0.78 1.07 -0.28 0.00 -0.36 0.00 0.00 55.97 57.18 1yv4 s LYS 55 Cb -0.74 0.25 -0.05 0.00 -1.51 0.00 0.00 37.83 35.79 1yv4 s LYS 55 CO 0.42 -0.12 0.89 -0.80 -0.36 0.00 0.00 175.35 175.38 1yv4 s ASN 56 N 1.01 7.32 -0.08 1.43 0.02 -1.26 -0.44 114.94 122.94 1yv4 s ASN 56 Ca -0.05 1.59 0.02 0.00 -1.02 0.00 0.00 52.86 53.40 1yv4 s ASN 56 Cb -0.05 -2.53 0.01 0.00 0.02 0.00 0.00 41.25 38.70 1yv4 s ASN 56 CO -0.09 -0.11 -0.15 -0.69 0.02 0.00 0.00 177.10 176.07 1yv4 s VAL 57 N 0.41 1.37 -0.12 1.60 1.01 0.40 -4.94 120.40 120.12 1yv4 s VAL 57 Ca 0.45 -0.60 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1yv4 s VAL 57 Cb -0.21 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 1yv4 s VAL 57 CO 0.26 0.41 0.72 -0.22 0.00 0.00 0.00 175.10 176.27 1yv4 s LEU 58 N 0.72 4.25 0.69 3.92 2.96 -1.26 -1.12 118.68 128.84 1yv4 s LEU 58 Ca -0.13 1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 1yv4 s LEU 58 Cb -0.16 -3.08 0.01 0.00 0.50 0.00 0.00 46.19 43.47 1yv4 s LEU 58 CO 0.03 -0.22 1.25 0.35 -1.32 0.00 0.00 176.35 176.44 1yv4 n THR 59 N 4.20 4.08 0.30 3.68 -2.24 0.04 -4.90 114.28 119.44 1yv4 n THR 59 Ca 0.00 -0.42 0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1yv4 n THR 59 Cb 0.50 -1.39 0.09 0.00 -2.10 0.00 0.00 70.33 67.43 1yv4 n THR 59 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1yv4 h THR 60 N 0.11 0.00 -2.63 4.28 1.35 -1.96 -3.44 112.91 110.62 1yv4 h THR 60 Ca -0.49 -0.80 -0.61 0.00 -0.55 0.00 0.00 66.41 63.96 1yv4 h THR 60 Cb 1.33 1.38 -0.13 0.00 -1.73 0.00 0.00 68.15 69.00 1yv4 h THR 60 CO 0.51 0.00 -0.72 -0.44 -0.25 0.00 0.00 175.52 174.62 1yv4 s SER 61 N -5.00 4.12 0.29 5.36 0.01 -1.26 -5.11 113.70 112.11 1yv4 s SER 61 Ca 0.03 -0.72 -0.22 0.00 1.31 0.00 0.00 55.95 56.35 1yv4 s SER 61 Cb 0.11 -0.62 -0.09 0.00 0.21 0.00 0.00 66.02 65.62 1yv4 s SER 61 CO 0.75 0.06 0.85 -1.61 0.41 0.00 0.00 173.24 173.70 1yv4 s GLU 62 N -3.20 4.39 0.22 12.44 2.02 -1.26 -4.47 118.70 128.84 1yv4 s GLU 62 Ca 0.27 1.09 0.09 0.00 0.02 0.00 0.00 54.97 56.44 1yv4 s GLU 62 Cb -0.07 -2.75 -0.05 0.00 0.10 0.00 0.00 34.13 31.36 1yv4 s GLU 62 CO 0.16 0.29 -0.16 -0.06 0.02 0.00 0.00 175.26 175.51 1yv4 s PHE 63 N -1.66 1.84 0.04 1.61 0.40 -0.25 -4.88 117.98 115.09 1yv4 s PHE 63 Ca 0.49 -0.52 -0.30 0.00 -0.60 0.00 0.00 56.93 55.99 1yv4 s PHE 63 Cb -0.16 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.47 1yv4 s PHE 63 CO 0.21 0.44 1.24 0.71 0.70 0.00 0.00 175.22 178.53 1yv4 s TYR 64 N -2.87 3.30 0.08 0.36 2.02 -1.26 -1.74 117.35 117.24 1yv4 s TYR 64 Ca 0.24 1.19 0.09 0.00 -0.37 0.00 0.00 57.07 58.23 1yv4 s TYR 64 Cb -0.02 -3.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.03 1yv4 s TYR 64 CO 0.09 -1.55 -0.24 -0.51 -1.57 0.00 0.00 175.55 171.77 1yv4 s LEU 65 N 1.42 2.36 -0.20 -1.29 1.43 0.10 -1.03 118.68 121.47 1yv4 s LEU 65 Ca 0.59 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1yv4 s LEU 65 Cb -0.30 -1.34 0.05 0.00 0.03 0.00 0.00 46.19 44.64 1yv4 s LEU 65 CO 0.28 0.22 -0.03 -0.44 0.23 0.00 0.00 176.35 176.61 1yv4 s SER 66 N -1.63 3.25 -0.15 2.29 0.01 0.67 -1.74 113.70 116.39 1yv4 s SER 66 Ca 0.14 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 1yv4 s SER 66 Cb -0.10 -0.94 -0.03 0.00 0.21 0.00 0.00 66.02 65.16 1yv4 s SER 66 CO 0.05 -0.23 -0.02 -1.81 0.41 0.00 0.00 173.24 171.63 1yv4 s ASP 67 N 1.59 4.93 -0.33 2.44 1.01 -0.25 -0.71 116.67 125.36 1yv4 s ASP 67 Ca -0.02 -0.08 -0.09 0.00 0.71 0.00 0.00 52.55 53.07 1yv4 s ASP 67 Cb -0.17 -1.76 0.01 0.00 1.01 0.00 0.00 42.92 42.01 1yv4 s ASP 67 CO -0.07 0.19 0.15 0.00 0.21 0.00 0.00 175.17 175.65 1yv4 s ASN 69 N 1.56 3.37 0.48 0.00 0.01 -0.52 -1.40 114.94 118.43 1yv4 s ASN 69 Ca 0.03 -0.50 -0.23 0.00 -0.71 0.00 0.00 52.86 51.46 1yv4 s ASN 69 Cb -0.18 -1.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.94 1yv4 s ASN 69 CO 0.05 0.15 1.18 0.54 -1.51 0.00 0.00 177.10 177.52 1yv4 s VAL 70 N 0.42 2.99 0.00 1.60 0.11 0.02 -0.54 120.40 125.00 1yv4 s VAL 70 Ca -0.15 0.74 0.00 0.00 -2.93 0.00 0.00 61.98 59.64 1yv4 s VAL 70 Cb -0.17 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 1yv4 s VAL 70 CO 0.07 -0.02 0.00 0.35 -3.33 0.00 0.00 175.10 172.17 1yv4 n THR 71 N -0.61 0.00 0.94 5.04 -2.24 0.35 -4.76 114.28 113.00 1yv4 n THR 71 Ca 0.08 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1yv4 n THR 71 Cb 0.48 -1.52 0.48 0.00 -2.10 0.00 0.00 70.33 67.67 1yv4 n THR 71 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1yv4 n SER 72 N -2.37 0.00 -4.38 3.42 3.41 -1.26 -4.59 113.62 107.84 1yv4 n SER 72 Ca 0.00 -0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.14 1yv4 n SER 72 Cb 0.00 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.60 1yv4 n SER 72 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1yv4 s ARG 73 N -2.45 3.47 0.23 4.33 0.52 -1.26 -5.07 118.95 118.72 1yv4 s ARG 73 Ca 0.20 -0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 54.51 1yv4 s ARG 73 Cb 0.12 -3.23 -0.14 0.00 0.52 0.00 0.00 34.95 32.22 1yv4 s ARG 73 CO 0.27 -0.23 1.18 -2.30 0.02 0.00 0.00 175.30 174.23 1yv4 n PRO 74 N 4.87 1.46 -1.53 3.54 -0.02 -1.26 -1.59 135.00 140.47 1yv4 n PRO 74 Ca -0.17 0.52 -0.18 0.00 -2.02 0.00 0.00 63.50 61.65 1yv4 n PRO 74 Cb 0.51 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 1yv4 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yv4 s LYS 76 N -3.54 2.80 0.31 0.00 1.02 -0.62 -4.75 119.74 114.95 1yv4 s LYS 76 Ca 0.00 -0.79 0.09 0.00 0.02 0.00 0.00 55.97 55.30 1yv4 s LYS 76 Cb 0.00 -2.17 -0.06 0.00 -0.52 0.00 0.00 37.83 35.08 1yv4 s LYS 76 CO 0.00 0.11 -0.11 0.71 -0.92 0.00 0.00 175.35 175.14 1yv4 s TYR 77 N 0.51 2.26 -0.11 3.18 1.51 -1.26 -0.49 117.35 122.94 1yv4 s TYR 77 Ca -0.16 -0.50 -0.00 0.00 -1.01 0.00 0.00 57.07 55.40 1yv4 s TYR 77 Cb -0.17 -1.22 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 1yv4 s TYR 77 CO 0.06 0.55 -0.11 0.15 -1.11 0.00 0.00 175.55 175.09 1yv4 s LYS 78 N -3.61 3.21 -0.08 -0.62 1.02 0.30 -4.86 119.74 115.10 1yv4 s LYS 78 Ca 0.31 -0.63 -0.19 0.00 0.02 0.00 0.00 55.97 55.48 1yv4 s LYS 78 Cb 0.01 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 1yv4 s LYS 78 CO 0.15 0.35 0.51 -1.17 -0.92 0.00 0.00 175.35 174.27 1yv4 s LEU 79 N 0.01 4.33 -0.10 3.17 2.96 -1.26 -1.44 118.68 126.35 1yv4 s LEU 79 Ca -0.03 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 1yv4 s LEU 79 Cb -0.14 -2.75 0.01 0.00 0.50 0.00 0.00 46.19 43.81 1yv4 s LEU 79 CO 0.04 0.06 -0.19 -0.75 -1.32 0.00 0.00 176.35 174.19 1yv4 s LYS 80 N 0.25 2.52 -0.17 1.98 2.36 0.04 -4.97 119.74 121.76 1yv4 s LYS 80 Ca 0.27 -0.68 -0.08 0.00 -2.55 0.00 0.00 55.97 52.93 1yv4 s LYS 80 Cb -0.16 -2.03 -0.04 0.00 -1.05 0.00 0.00 37.83 34.55 1yv4 s LYS 80 CO 0.13 0.03 0.11 0.15 1.55 0.00 0.00 175.35 177.31 1yv4 s LYS 81 N 0.71 3.89 0.26 4.03 1.02 -1.26 -1.09 119.74 127.30 1yv4 s LYS 81 Ca -0.12 -0.24 -0.08 0.00 0.02 0.00 0.00 55.97 55.55 1yv4 s LYS 81 Cb -0.16 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1yv4 s LYS 81 CO 0.02 0.43 0.40 -1.54 -0.92 0.00 0.00 175.35 173.74 1yv4 s SER 82 N -0.04 0.17 -0.14 2.83 1.04 -0.71 -5.02 113.70 111.83 1yv4 s SER 82 Ca 0.09 -1.15 0.01 0.00 0.48 0.00 0.00 55.95 55.38 1yv4 s SER 82 Cb -0.12 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.57 1yv4 s SER 82 CO 0.00 -1.10 -0.17 -0.89 0.98 0.00 0.00 173.24 172.06 1yv4 s THR 83 N -3.86 1.71 0.20 2.02 2.01 -1.26 0.03 115.64 116.48 1yv4 s THR 83 Ca 0.28 -0.74 -0.23 0.00 0.31 0.00 0.00 61.69 61.31 1yv4 s THR 83 Cb 0.01 -1.56 0.05 0.00 0.01 0.00 0.00 72.50 71.01 1yv4 s THR 83 CO 0.12 0.48 0.80 0.21 -0.69 0.00 0.00 174.62 175.54 1yv4 s ASN 84 N 1.20 -0.28 0.72 3.53 3.84 -0.71 -4.89 114.94 118.35 1yv4 s ASN 84 Ca -0.00 -0.41 -0.10 0.00 0.21 0.00 0.00 52.86 52.55 1yv4 s ASN 84 Cb -0.14 0.60 0.04 0.00 -0.55 0.00 0.00 41.25 41.21 1yv4 s ASN 84 CO -0.07 -1.09 1.09 -0.54 -2.79 0.00 0.00 177.10 173.70 1yv4 s LYS 85 N -3.62 2.46 0.18 0.43 1.02 -1.26 -1.09 119.74 117.86 1yv4 s LYS 85 Ca 0.10 0.17 -0.13 0.00 0.02 0.00 0.00 55.97 56.13 1yv4 s LYS 85 Cb -0.03 -2.05 0.01 0.00 -0.52 0.00 0.00 37.83 35.23 1yv4 s LYS 85 CO 0.02 -1.21 0.39 -0.59 -0.92 0.00 0.00 175.35 173.04 1yv4 s PHE 86 N -3.37 0.16 -0.15 3.18 -0.12 -1.26 -0.35 117.98 116.07 1yv4 s PHE 86 Ca 0.59 -0.52 -0.03 0.00 -0.05 0.00 0.00 56.93 56.93 1yv4 s PHE 86 Cb -0.11 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.41 1yv4 s PHE 86 CO 0.49 -0.81 -0.07 0.00 -0.05 0.00 0.00 175.22 174.78 1yv4 s VAL 88 N 0.33 1.84 -0.34 0.00 -7.23 -0.27 -0.14 120.40 114.59 1yv4 s VAL 88 Ca -0.06 -2.10 -0.23 0.00 -1.81 0.00 0.00 61.98 57.78 1yv4 s VAL 88 Cb -0.15 -1.98 0.00 0.00 0.56 0.00 0.00 36.38 34.82 1yv4 s VAL 88 CO 0.04 -0.46 0.75 -0.89 -0.31 0.00 0.00 175.10 174.23 1yv4 s THR 89 N -2.52 4.79 -0.01 5.32 2.01 -0.19 -0.46 115.64 124.58 1yv4 s THR 89 Ca 0.20 0.96 -0.19 0.00 0.31 0.00 0.00 61.69 62.97 1yv4 s THR 89 Cb -0.03 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.27 1yv4 s THR 89 CO 0.08 -0.32 0.53 0.00 -0.69 0.00 0.00 174.62 174.21 1yv4 s GLU 91 N -0.43 0.30 -1.45 0.00 2.12 -0.24 -1.50 118.70 117.50 1yv4 s GLU 91 Ca 0.28 0.66 -0.00 0.00 0.36 0.00 0.00 54.97 56.27 1yv4 s GLU 91 Cb -0.18 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.15 1yv4 s GLU 91 CO 0.16 -0.16 0.27 -1.71 -0.54 0.00 0.00 175.26 173.28 1yv4 n ASN 92 N 4.21 0.11 -1.02 -1.70 5.15 0.32 -1.81 115.26 120.52 1yv4 n ASN 92 Ca -0.24 -1.10 -0.13 0.00 -0.60 0.00 0.00 54.58 52.50 1yv4 n ASN 92 Cb 0.54 -2.54 -0.06 0.00 -0.53 0.00 0.00 39.78 37.19 1yv4 n ASN 92 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yv4 n GLN 93 N -4.47 -1.00 -3.91 1.20 6.02 0.44 -4.99 117.38 110.66 1yv4 n GLN 93 Ca -0.32 0.96 -0.10 0.00 -0.01 0.00 0.00 57.00 57.53 1yv4 n GLN 93 Cb 0.69 -5.05 -0.11 0.00 1.02 0.00 0.00 30.24 26.79 1yv4 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yv4 s ALA 94 N -2.45 -0.11 0.24 -1.58 0.00 -0.75 -4.27 121.76 112.83 1yv4 s ALA 94 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.38 1yv4 s ALA 94 Cb 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 23.12 23.12 1yv4 s ALA 94 CO 0.00 -0.16 1.36 -2.14 0.00 0.00 0.00 175.76 174.82 1yv4 s PRO 95 N -1.22 4.34 0.00 0.00 0.02 -1.26 -1.08 135.00 135.80 1yv4 s PRO 95 Ca -0.13 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.07 1yv4 s PRO 95 Cb -0.08 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.31 1yv4 s PRO 95 CO 0.00 -0.30 0.00 1.33 -0.33 0.00 0.00 177.00 177.70 1yv4 n VAL 96 N 2.16 0.00 -3.74 3.83 0.24 0.17 -3.88 118.33 117.11 1yv4 n VAL 96 Ca 0.05 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 1yv4 n VAL 96 Cb 0.42 0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 33.59 1yv4 n VAL 96 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1yv4 s HIS 97 N -0.75 -0.17 -0.24 6.34 3.76 -1.22 -3.79 115.29 119.23 1yv4 s HIS 97 Ca 0.00 0.14 -0.10 0.00 -0.15 0.00 0.00 55.06 54.95 1yv4 s HIS 97 Cb 0.00 0.12 -0.05 0.00 1.11 0.00 0.00 32.58 33.76 1yv4 s HIS 97 CO 0.00 -0.48 0.15 0.12 -0.85 0.00 0.00 174.74 173.68 1yv4 s PHE 98 N -2.08 3.31 -0.18 1.40 2.19 -1.26 -1.02 117.98 120.33 1yv4 s PHE 98 Ca -0.08 0.21 -0.19 0.00 0.33 0.00 0.00 56.93 57.20 1yv4 s PHE 98 Cb -0.02 -2.25 -0.16 0.00 -1.31 0.00 0.00 43.02 39.28 1yv4 s PHE 98 CO -0.00 0.07 0.19 0.28 1.83 0.00 0.00 175.22 177.59 1yv4 h VAL 99 N 5.01 0.79 0.00 3.12 2.07 -0.87 -3.47 116.25 122.89 1yv4 h VAL 99 Ca -0.38 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1yv4 h VAL 99 Cb 1.17 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1yv4 h VAL 99 CO 0.66 0.27 0.00 0.61 0.02 0.00 0.00 177.57 179.13 1yv4 n GLY 100 N 1.51 0.91 3.75 2.17 0.00 -1.09 -5.00 105.19 107.44 1yv4 n GLY 100 Ca -0.22 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 1yv4 n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yv4 s VAL 101 N -2.00 4.08 0.00 1.61 1.01 -1.26 -0.23 120.40 123.62 1yv4 s VAL 101 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 61.98 64.06 1yv4 s VAL 101 Cb 0.00 -4.33 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1yv4 s VAL 101 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.21 1yv4 n GLY 102 N 1.51 2.58 3.48 4.51 0.00 0.52 -4.87 105.19 112.92 1yv4 n GLY 102 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 1yv4 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yv4 s SER 103 N 0.15 -0.59 0.00 1.61 0.15 -1.26 -4.87 113.70 108.88 1yv4 s SER 103 Ca 0.00 0.36 0.30 0.00 0.70 0.00 0.00 55.95 57.31 1yv4 s SER 103 Cb 0.00 0.54 1.46 0.00 -1.71 0.00 0.00 66.02 66.31 1yv4 s SER 103 CO 0.00 -0.74 1.98 0.00 1.20 0.00 0.00 173.24 175.67