#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w0v s ILE 1 N 0.00 3.39 0.07 2.02 -5.25 -1.26 -5.03 121.20 115.15 1w0v s ILE 1 Ca 0.00 1.08 0.06 0.00 -0.99 0.00 0.00 60.65 60.79 1w0v s ILE 1 Cb 0.00 -3.69 -0.03 0.00 2.95 0.00 0.00 42.46 41.69 1w0v s ILE 1 CO 0.00 0.13 -0.15 -1.10 -1.79 0.00 0.00 174.94 172.03 1w0v s GLN 2 N 0.42 0.89 -0.06 0.37 -0.21 -1.26 -4.72 119.66 115.09 1w0v s GLN 2 Ca 0.59 -0.96 0.02 0.00 0.02 0.00 0.00 55.36 55.03 1w0v s GLN 2 Cb -0.35 -0.93 0.02 0.00 1.00 0.00 0.00 33.01 32.74 1w0v s GLN 2 CO 0.34 0.21 -0.08 1.03 -2.12 0.00 0.00 175.29 174.68 1w0v s ARG 3 N -1.67 1.23 0.19 2.91 0.52 0.54 -4.91 118.95 117.75 1w0v s ARG 3 Ca -0.00 -0.24 -0.19 0.00 -0.52 0.00 0.00 55.73 54.77 1w0v s ARG 3 Cb -0.10 -1.11 -0.08 0.00 0.52 0.00 0.00 34.95 34.19 1w0v s ARG 3 CO 0.02 -0.04 0.69 -0.08 0.02 0.00 0.00 175.30 175.91 1w0v s THR 4 N 0.84 4.61 0.34 0.02 -1.32 -1.26 -1.04 115.64 117.82 1w0v s THR 4 Ca -0.12 1.24 -0.27 0.00 -1.21 0.00 0.00 61.69 61.33 1w0v s THR 4 Cb -0.15 -3.87 -0.09 0.00 -1.51 0.00 0.00 72.50 66.88 1w0v s THR 4 CO 0.01 0.27 1.12 -2.16 -2.21 0.00 0.00 174.62 171.66 1w0v s PRO 5 N -1.83 4.35 0.27 7.08 0.04 -1.26 -4.49 135.00 139.17 1w0v s PRO 5 Ca 0.40 1.78 -0.25 0.00 0.04 0.00 0.00 61.00 62.97 1w0v s PRO 5 Cb -0.17 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 1w0v s PRO 5 CO 0.21 -0.04 0.87 0.15 0.04 0.00 0.00 177.00 178.23 1w0v s LYS 6 N -1.94 4.54 -0.09 4.56 1.02 0.94 -4.88 119.74 123.89 1w0v s LYS 6 Ca 0.51 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.72 1w0v s LYS 6 Cb -0.30 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.10 1w0v s LYS 6 CO 0.38 0.37 -0.07 0.42 -0.92 0.00 0.00 175.35 175.53 1w0v s ILE 7 N -1.49 0.88 -0.07 2.17 1.01 -1.26 -1.36 121.20 121.08 1w0v s ILE 7 Ca 0.46 -0.23 0.04 0.00 0.00 0.00 0.00 60.65 60.91 1w0v s ILE 7 Cb -0.20 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1w0v s ILE 7 CO 0.24 0.33 -0.19 -1.10 0.00 0.00 0.00 174.94 174.23 1w0v s GLN 8 N 1.47 2.22 -0.11 2.79 -0.21 -0.68 -5.02 119.66 120.13 1w0v s GLN 8 Ca -0.00 -0.67 0.02 0.00 0.02 0.00 0.00 55.36 54.72 1w0v s GLN 8 Cb -0.13 -1.81 0.01 0.00 1.00 0.00 0.00 33.01 32.08 1w0v s GLN 8 CO -0.05 0.19 -0.18 0.54 -2.12 0.00 0.00 175.29 173.67 1w0v s VAL 9 N 0.26 1.70 0.17 1.09 0.11 -1.26 -0.97 120.40 121.49 1w0v s VAL 9 Ca -0.11 -0.77 -0.24 0.00 -2.93 0.00 0.00 61.98 57.93 1w0v s VAL 9 Cb -0.15 -1.52 0.06 0.00 -1.53 0.00 0.00 36.38 33.24 1w0v s VAL 9 CO 0.05 0.48 0.82 -0.72 -3.33 0.00 0.00 175.10 172.40 1w0v s TYR 10 N 0.83 -0.24 0.22 1.54 1.13 -0.76 -4.55 117.35 115.52 1w0v s TYR 10 Ca -0.09 -0.07 0.06 0.00 -1.41 0.00 0.00 57.07 55.56 1w0v s TYR 10 Cb -0.16 0.63 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1w0v s TYR 10 CO 0.00 -0.91 0.23 -1.54 -2.51 0.00 0.00 175.55 170.82 1w0v s SER 11 N -2.84 5.80 0.09 -0.18 1.04 -1.26 -0.32 113.70 116.04 1w0v s SER 11 Ca 0.09 -0.11 -0.18 0.00 0.48 0.00 0.00 55.95 56.23 1w0v s SER 11 Cb -0.03 -1.57 -0.07 0.00 0.10 0.00 0.00 66.02 64.45 1w0v s SER 11 CO -0.00 -0.02 1.56 -0.09 0.98 0.00 0.00 173.24 175.67 1w0v h ARG 12 N 1.63 0.43 -6.14 4.02 2.43 -1.46 -3.45 114.38 111.84 1w0v h ARG 12 Ca -0.49 -0.12 -0.59 0.00 -0.81 0.00 0.00 59.98 57.97 1w0v h ARG 12 Cb 1.23 -0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.61 1w0v h ARG 12 CO 0.62 0.56 -0.68 -1.01 -1.51 0.00 0.00 179.97 177.95 1w0v s HIS 13 N -5.15 2.50 0.43 2.20 3.76 -1.26 -5.03 115.29 112.75 1w0v s HIS 13 Ca -0.14 -0.33 -0.25 0.00 -0.15 0.00 0.00 55.06 54.20 1w0v s HIS 13 Cb 0.08 -1.21 -0.10 0.00 1.11 0.00 0.00 32.58 32.46 1w0v s HIS 13 CO 0.74 0.61 1.20 -0.35 -0.85 0.00 0.00 174.74 176.09 1w0v n PRO 14 N -0.81 1.73 -2.05 8.40 -0.04 -1.26 -4.87 135.00 136.09 1w0v n PRO 14 Ca -0.05 0.62 -0.42 0.00 -0.04 0.00 0.00 63.50 63.61 1w0v n PRO 14 Cb 0.60 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.74 1w0v n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1w0v s ALA 15 N -1.23 3.67 -0.10 0.55 0.00 -1.26 -5.01 121.76 118.38 1w0v s ALA 15 Ca 0.63 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 1w0v s ALA 15 Cb -0.51 -3.57 0.04 0.00 0.00 0.00 0.00 23.12 19.08 1w0v s ALA 15 CO 0.57 -0.70 0.05 -2.00 0.00 0.00 0.00 175.76 173.68 1w0v s GLU 16 N 0.78 0.25 0.04 0.00 2.12 -1.26 -5.12 118.70 115.50 1w0v s GLU 16 Ca 0.65 0.09 -0.30 0.00 0.36 0.00 0.00 54.97 55.77 1w0v s GLU 16 Cb -0.40 -1.16 -0.08 0.00 0.26 0.00 0.00 34.13 32.74 1w0v s GLU 16 CO 0.33 -0.44 1.84 -0.80 -0.54 0.00 0.00 175.26 175.65 1w0v s ASN 17 N 2.07 6.51 0.00 -1.70 0.01 -1.26 -1.61 114.94 118.95 1w0v s ASN 17 Ca 0.04 2.57 0.00 0.00 -0.71 0.00 0.00 52.86 54.76 1w0v s ASN 17 Cb -0.14 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1w0v s ASN 17 CO -0.06 -1.00 0.00 0.61 -1.51 0.00 0.00 177.10 175.14 1w0v n GLY 18 N 4.34 0.30 3.72 0.66 0.00 -1.00 -5.02 105.19 108.19 1w0v n GLY 18 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1w0v n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1w0v s LYS 19 N -0.90 4.12 0.50 1.61 2.20 -0.64 -5.02 119.74 121.61 1w0v s LYS 19 Ca 0.00 -0.24 -0.22 0.00 -0.36 0.00 0.00 55.97 55.15 1w0v s LYS 19 Cb 0.00 -3.37 -0.06 0.00 -1.51 0.00 0.00 37.83 32.89 1w0v s LYS 19 CO 0.00 0.31 1.21 0.45 -0.36 0.00 0.00 175.35 176.96 1w0v s SER 20 N 0.31 5.81 0.18 1.43 0.15 -1.26 -4.09 113.70 116.23 1w0v s SER 20 Ca 0.07 2.41 -0.04 0.00 0.70 0.00 0.00 55.95 59.09 1w0v s SER 20 Cb -0.11 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1w0v s SER 20 CO -0.01 -1.17 0.31 -3.20 1.20 0.00 0.00 173.24 170.36 1w0v n ASN 21 N -0.81 -0.89 -4.19 5.45 2.85 0.11 -4.98 115.26 112.78 1w0v n ASN 21 Ca 0.09 -1.80 -0.28 0.00 -0.11 0.00 0.00 54.58 52.49 1w0v n ASN 21 Cb 0.48 1.54 -0.16 0.00 1.24 0.00 0.00 39.78 42.88 1w0v n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1w0v s PHE 22 N -5.13 1.93 -0.26 1.20 0.40 -1.26 -2.14 117.98 112.72 1w0v s PHE 22 Ca 0.10 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 55.83 1w0v s PHE 22 Cb -0.02 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.20 1w0v s PHE 22 CO 0.07 -0.13 0.15 -1.17 0.70 0.00 0.00 175.22 174.84 1w0v s LEU 23 N -0.18 3.94 -0.05 -0.37 2.96 -0.54 -1.02 118.68 123.42 1w0v s LEU 23 Ca 0.00 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1w0v s LEU 23 Cb -0.11 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 1w0v s LEU 23 CO 0.02 -0.00 -0.11 0.20 -1.32 0.00 0.00 176.35 175.13 1w0v s ASN 24 N 1.47 4.30 -0.22 3.68 0.01 0.57 -2.18 114.94 122.56 1w0v s ASN 24 Ca 0.07 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1w0v s ASN 24 Cb -0.15 -0.98 0.06 0.00 0.41 0.00 0.00 41.25 40.59 1w0v s ASN 24 CO 0.07 0.35 -0.05 0.00 -1.51 0.00 0.00 177.10 175.96 1w0v s TYR 26 N 1.47 3.20 -0.07 0.00 5.04 -0.15 -0.31 117.35 126.53 1w0v s TYR 26 Ca -0.05 -0.01 0.03 0.00 -2.44 0.00 0.00 57.07 54.60 1w0v s TYR 26 Cb -0.18 -2.30 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 1w0v s TYR 26 CO -0.07 -0.15 -0.15 0.14 -1.34 0.00 0.00 175.55 173.98 1w0v s VAL 27 N 1.49 2.98 0.20 3.14 -7.23 -0.51 -1.68 120.40 118.79 1w0v s VAL 27 Ca 0.07 -0.74 -0.18 0.00 -1.81 0.00 0.00 61.98 59.32 1w0v s VAL 27 Cb -0.15 -2.18 0.03 0.00 0.56 0.00 0.00 36.38 34.64 1w0v s VAL 27 CO 0.07 0.58 0.53 -0.94 -0.31 0.00 0.00 175.10 175.03 1w0v s SER 28 N -0.48 -0.27 -0.37 4.85 1.04 -0.46 -1.70 113.70 116.30 1w0v s SER 28 Ca 0.06 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1w0v s SER 28 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1w0v s SER 28 CO 0.02 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.78 1w0v n GLY 29 N -0.35 0.65 3.65 7.32 0.00 -0.75 -0.04 105.19 115.68 1w0v n GLY 29 Ca -0.10 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 1w0v n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1w0v s PHE 30 N -2.12 2.92 -0.16 1.61 -0.71 -1.19 -4.37 117.98 113.95 1w0v s PHE 30 Ca 0.00 -0.06 -0.14 0.00 -1.04 0.00 0.00 56.93 55.69 1w0v s PHE 30 Cb 0.00 -1.51 0.05 0.00 -1.21 0.00 0.00 43.02 40.35 1w0v s PHE 30 CO 0.00 0.46 0.43 -1.58 -1.34 0.00 0.00 175.22 173.19 1w0v s HIS 31 N -1.27 -0.51 0.46 3.49 2.46 -0.21 -1.35 115.29 118.36 1w0v s HIS 31 Ca 0.24 1.19 -0.08 0.00 0.47 0.00 0.00 55.06 56.89 1w0v s HIS 31 Cb -0.11 0.19 0.11 0.00 -0.13 0.00 0.00 32.58 32.64 1w0v s HIS 31 CO 0.17 -0.26 0.48 -0.35 -2.47 0.00 0.00 174.74 172.31 1w0v n PRO 32 N 3.18 -1.39 0.13 2.88 -0.04 -1.26 -0.34 135.00 138.15 1w0v n PRO 32 Ca -0.16 -0.75 0.02 0.00 -0.04 0.00 0.00 63.50 62.57 1w0v n PRO 32 Cb 0.57 -0.63 0.01 0.00 -0.04 0.00 0.00 33.50 33.41 1w0v n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1w0v h SER 33 N -1.35 0.00 -3.37 3.54 4.64 -1.99 -3.45 113.55 111.57 1w0v h SER 33 Ca -0.17 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.62 1w0v h SER 33 Cb 0.50 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.64 1w0v h SER 33 CO 0.11 0.51 0.74 -1.81 -0.87 0.00 0.00 176.83 175.52 1w0v s ASP 34 N -6.38 6.69 -0.03 4.97 1.01 -1.26 -4.96 116.67 116.71 1w0v s ASP 34 Ca 0.03 2.62 -0.29 0.00 0.71 0.00 0.00 52.55 55.62 1w0v s ASP 34 Cb 0.08 -2.62 0.09 0.00 1.01 0.00 0.00 42.92 41.48 1w0v s ASP 34 CO 0.75 -0.67 0.77 -0.51 0.21 0.00 0.00 175.17 175.73 1w0v s ILE 35 N 0.03 0.00 -0.11 0.77 2.07 -1.26 -4.69 121.20 118.01 1w0v s ILE 35 Ca 0.59 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.85 1w0v s ILE 35 Cb -0.41 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.19 1w0v s ILE 35 CO 0.42 0.00 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.59 1w0v s GLU 36 N -1.89 2.28 -0.08 3.50 2.12 -0.47 -4.99 118.70 119.16 1w0v s GLU 36 Ca -0.04 -0.59 0.01 0.00 0.36 0.00 0.00 54.97 54.71 1w0v s GLU 36 Cb -0.00 -1.91 0.02 0.00 0.26 0.00 0.00 34.13 32.49 1w0v s GLU 36 CO 0.01 -0.04 -0.10 0.08 -0.54 0.00 0.00 175.26 174.67 1w0v s VAL 37 N 0.93 1.05 0.04 3.70 1.01 -1.26 -0.60 120.40 125.26 1w0v s VAL 37 Ca -0.08 -0.39 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1w0v s VAL 37 Cb -0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 1w0v s VAL 37 CO -0.01 0.35 -0.20 -1.81 0.00 0.00 0.00 175.10 173.43 1w0v s ASP 38 N 1.01 3.65 -0.12 3.32 1.01 -0.20 -4.98 116.67 120.37 1w0v s ASP 38 Ca -0.08 -0.45 -0.09 0.00 0.71 0.00 0.00 52.55 52.63 1w0v s ASP 38 Cb -0.15 -0.54 -0.04 0.00 1.01 0.00 0.00 42.92 43.20 1w0v s ASP 38 CO -0.00 0.26 0.19 -0.76 0.21 0.00 0.00 175.17 175.07 1w0v s LEU 39 N -1.35 4.36 -0.02 1.23 1.43 -1.26 -0.44 118.68 122.63 1w0v s LEU 39 Ca 0.14 0.51 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1w0v s LEU 39 Cb -0.10 -2.18 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1w0v s LEU 39 CO 0.04 0.34 -0.18 -0.76 0.23 0.00 0.00 176.35 176.02 1w0v s LEU 40 N -0.70 2.54 -0.26 1.79 1.43 0.37 -0.93 118.68 122.93 1w0v s LEU 40 Ca 0.15 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1w0v s LEU 40 Cb -0.13 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.66 1w0v s LEU 40 CO 0.05 0.32 -0.08 -0.75 0.23 0.00 0.00 176.35 176.11 1w0v s LYS 41 N -0.86 2.00 -1.34 1.70 2.20 0.01 -1.98 119.74 121.48 1w0v s LYS 41 Ca 0.12 -1.27 -0.04 0.00 -0.36 0.00 0.00 55.97 54.42 1w0v s LYS 41 Cb -0.10 -2.81 0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1w0v s LYS 41 CO 0.01 -0.60 0.91 0.09 -0.36 0.00 0.00 175.35 175.40 1w0v n ASN 42 N 4.50 -3.01 0.00 1.43 3.02 0.47 -2.16 115.26 119.51 1w0v n ASN 42 Ca -0.12 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.71 1w0v n ASN 42 Cb 0.43 -4.45 0.00 0.00 -0.61 0.00 0.00 39.78 35.15 1w0v n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1w0v n GLY 43 N -1.57 1.98 3.53 7.41 0.00 -1.26 -5.02 105.19 110.26 1w0v n GLY 43 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1w0v n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w0v s GLU 44 N -0.25 2.57 0.11 1.61 0.41 -0.92 -5.01 118.70 117.22 1w0v s GLU 44 Ca 0.00 -0.66 -0.31 0.00 -0.41 0.00 0.00 54.97 53.59 1w0v s GLU 44 Cb 0.00 -2.46 -0.08 0.00 -1.78 0.00 0.00 34.13 29.81 1w0v s GLU 44 CO 0.00 0.63 1.43 0.50 -0.49 0.00 0.00 175.26 177.33 1w0v s ARG 45 N -0.91 4.30 0.04 1.61 3.52 -1.26 -0.81 118.95 125.44 1w0v s ARG 45 Ca 0.13 2.12 -0.30 0.00 -0.13 0.00 0.00 55.73 57.55 1w0v s ARG 45 Cb -0.11 -3.27 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 1w0v s ARG 45 CO 0.02 -0.48 1.06 0.42 -0.81 0.00 0.00 175.30 175.50 1w0v s ILE 46 N 1.27 4.51 0.58 4.11 1.01 -0.10 -4.89 121.20 127.68 1w0v s ILE 46 Ca 0.66 1.84 -0.13 0.00 0.00 0.00 0.00 60.65 63.02 1w0v s ILE 46 Cb -0.38 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 37.86 1w0v s ILE 46 CO 0.30 0.17 1.01 -1.61 0.00 0.00 0.00 174.94 174.81 1w0v s GLU 47 N 0.85 3.75 -1.77 2.79 2.02 -1.26 -4.29 118.70 120.78 1w0v s GLU 47 Ca 0.54 0.83 0.00 0.00 0.02 0.00 0.00 54.97 56.36 1w0v s GLU 47 Cb -0.24 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1w0v s GLU 47 CO 0.29 -0.44 0.00 1.63 0.02 0.00 0.00 175.26 176.76 1w0v n LYS 48 N -2.26 -1.67 -1.88 1.61 5.02 -1.26 -4.96 118.16 112.76 1w0v n LYS 48 Ca 0.06 1.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.93 1w0v n LYS 48 Cb 0.54 -5.55 -0.02 0.00 -0.02 0.00 0.00 35.03 29.97 1w0v n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1w0v s VAL 49 N -2.85 2.39 0.31 -0.18 1.01 -1.26 -4.98 120.40 114.85 1w0v s VAL 49 Ca 0.00 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1w0v s VAL 49 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1w0v s VAL 49 CO 0.00 0.04 0.46 -1.61 0.00 0.00 0.00 175.10 173.99 1w0v s GLU 50 N 0.29 3.29 0.04 2.72 2.02 -0.63 -4.91 118.70 121.51 1w0v s GLU 50 Ca 0.66 -0.76 -0.02 0.00 0.02 0.00 0.00 54.97 54.87 1w0v s GLU 50 Cb -0.45 -2.79 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1w0v s GLU 50 CO 0.39 0.18 -0.00 -3.38 0.02 0.00 0.00 175.26 172.46 1w0v s HIS 51 N -2.17 0.39 1.00 1.61 -3.43 -1.26 -0.92 115.29 110.51 1w0v s HIS 51 Ca 0.40 -0.83 -0.13 0.00 -0.80 0.00 0.00 55.06 53.70 1w0v s HIS 51 Cb -0.09 -0.29 0.19 0.00 -1.43 0.00 0.00 32.58 30.95 1w0v s HIS 51 CO 0.32 -0.33 1.12 -1.54 -2.00 0.00 0.00 174.74 172.31 1w0v s SER 52 N -2.42 2.72 0.22 7.38 1.04 -0.19 -4.98 113.70 117.47 1w0v s SER 52 Ca -0.01 0.98 -0.25 0.00 0.48 0.00 0.00 55.95 57.15 1w0v s SER 52 Cb 0.02 -1.54 -0.09 0.00 0.10 0.00 0.00 66.02 64.51 1w0v s SER 52 CO -0.07 -3.05 0.83 -1.81 0.98 0.00 0.00 173.24 170.12 1w0v s ASP 53 N -3.78 7.35 -0.26 7.02 1.01 -1.26 -4.76 116.67 121.98 1w0v s ASP 53 Ca 0.66 1.69 -0.39 0.00 0.71 0.00 0.00 52.55 55.22 1w0v s ASP 53 Cb -0.16 -2.52 -0.15 0.00 1.01 0.00 0.00 42.92 41.11 1w0v s ASP 53 CO 0.56 0.11 1.80 -0.11 0.21 0.00 0.00 175.17 177.74 1w0v n LEU 54 N 1.17 2.52 0.00 1.23 7.94 -1.26 -4.92 117.00 123.68 1w0v n LEU 54 Ca -0.03 1.01 -0.18 0.00 -1.11 0.00 0.00 56.01 55.70 1w0v n LEU 54 Cb 0.49 -1.18 -0.06 0.00 0.53 0.00 0.00 43.42 43.20 1w0v n LEU 54 CO 0.46 -0.39 -0.11 -0.24 -1.11 0.00 0.00 177.39 176.00 1w0v n SER 55 N 5.91 0.47 -3.83 1.96 2.88 -1.24 -5.07 113.62 114.70 1w0v n SER 55 Ca 0.27 -2.75 -0.10 0.00 -1.33 0.00 0.00 58.87 54.96 1w0v n SER 55 Cb 0.16 1.04 -0.05 0.00 -0.75 0.00 0.00 64.21 64.60 1w0v n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1w0v s PHE 56 N -2.91 0.09 0.61 0.66 -0.12 -1.26 -2.27 117.98 112.79 1w0v s PHE 56 Ca 0.23 -0.45 0.04 0.00 -0.05 0.00 0.00 56.93 56.70 1w0v s PHE 56 Cb 0.01 0.20 0.09 0.00 -0.63 0.00 0.00 43.02 42.69 1w0v s PHE 56 CO 0.16 -0.83 0.84 -1.12 -0.05 0.00 0.00 175.22 174.23 1w0v s SER 57 N -2.91 4.89 0.46 1.98 0.01 0.85 -4.90 113.70 114.08 1w0v s SER 57 Ca 0.12 -0.46 0.16 0.00 1.31 0.00 0.00 55.95 57.08 1w0v s SER 57 Cb 0.01 -0.14 1.11 0.00 0.21 0.00 0.00 66.02 67.21 1w0v s SER 57 CO -0.02 -1.45 2.01 0.50 0.41 0.00 0.00 173.24 174.69 1w0v h LYS 58 N -0.07 0.29 -0.55 12.44 3.64 -2.03 0.26 116.57 130.55 1w0v h LYS 58 Ca -0.36 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.01 1w0v h LYS 58 Cb 1.28 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1w0v h LYS 58 CO 0.43 0.19 0.00 -0.40 -2.27 0.00 0.00 179.45 177.40 1w0v n ASP 59 N -4.46 2.01 0.00 4.20 5.68 -1.26 -4.89 116.55 117.83 1w0v n ASP 59 Ca 0.08 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.21 1w0v n ASP 59 Cb 0.36 -0.36 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1w0v n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1w0v n TRP 60 N 0.24 0.00 -2.26 2.11 7.02 0.08 -5.01 117.44 119.63 1w0v n TRP 60 Ca 0.09 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.20 1w0v n TRP 60 Cb 0.40 -0.09 -0.01 0.00 -2.42 0.00 0.00 31.31 29.18 1w0v n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1w0v s SER 61 N -3.76 6.29 0.42 -0.99 1.04 -1.26 -4.54 113.70 110.89 1w0v s SER 61 Ca 0.00 2.34 -0.09 0.00 0.48 0.00 0.00 55.95 58.68 1w0v s SER 61 Cb 0.00 -2.61 -0.06 0.00 0.10 0.00 0.00 66.02 63.46 1w0v s SER 61 CO 0.00 -0.83 0.76 -0.36 0.98 0.00 0.00 173.24 173.78 1w0v s PHE 62 N -1.48 3.50 0.02 5.02 0.08 -0.46 -0.10 117.98 124.55 1w0v s PHE 62 Ca 0.61 0.95 -0.05 0.00 0.12 0.00 0.00 56.93 58.55 1w0v s PHE 62 Cb -0.30 -2.38 -0.01 0.00 -0.57 0.00 0.00 43.02 39.77 1w0v s PHE 62 CO 0.37 -0.13 0.09 1.52 -0.10 0.00 0.00 175.22 176.97 1w0v s TYR 63 N -2.45 0.14 -0.08 0.36 -0.85 -0.96 -1.82 117.35 111.69 1w0v s TYR 63 Ca 0.50 -0.35 -0.20 0.00 -0.52 0.00 0.00 57.07 56.50 1w0v s TYR 63 Cb -0.10 -0.11 0.04 0.00 0.38 0.00 0.00 41.96 42.17 1w0v s TYR 63 CO 0.35 -0.30 0.46 -0.51 -1.52 0.00 0.00 175.55 174.03 1w0v s LEU 64 N -1.70 0.22 -0.14 -3.49 1.43 -0.69 -3.69 118.68 110.62 1w0v s LEU 64 Ca -0.11 0.55 -0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1w0v s LEU 64 Cb -0.05 1.73 -0.01 0.00 0.03 0.00 0.00 46.19 47.88 1w0v s LEU 64 CO -0.01 -0.40 -0.13 -0.22 0.23 0.00 0.00 176.35 175.82 1w0v s LEU 65 N -0.76 2.72 -0.04 1.79 2.96 -1.26 -1.43 118.68 122.66 1w0v s LEU 65 Ca -0.08 -0.34 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1w0v s LEU 65 Cb -0.03 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1w0v s LEU 65 CO 0.05 0.15 0.01 -0.31 -1.32 0.00 0.00 176.35 174.93 1w0v s TYR 66 N 0.43 3.13 -0.04 5.38 1.51 0.58 -1.02 117.35 127.32 1w0v s TYR 66 Ca -0.10 0.14 -0.30 0.00 -1.01 0.00 0.00 57.07 55.81 1w0v s TYR 66 Cb -0.16 -1.73 0.08 0.00 -0.11 0.00 0.00 41.96 40.04 1w0v s TYR 66 CO 0.05 0.47 0.72 1.52 -1.11 0.00 0.00 175.55 177.20 1w0v s TYR 67 N -1.01 -0.59 0.03 2.71 1.13 -0.10 0.22 117.35 119.75 1w0v s TYR 67 Ca 0.17 0.91 -0.22 0.00 -1.41 0.00 0.00 57.07 56.51 1w0v s TYR 67 Cb -0.11 0.44 0.05 0.00 -1.10 0.00 0.00 41.96 41.24 1w0v s TYR 67 CO 0.07 -0.60 0.51 -0.08 -2.51 0.00 0.00 175.55 172.94 1w0v s THR 68 N -1.61 0.03 0.35 -3.49 -1.32 -0.93 -1.60 115.64 107.07 1w0v s THR 68 Ca -0.07 -0.25 -0.28 0.00 -1.21 0.00 0.00 61.69 59.87 1w0v s THR 68 Cb -0.00 -0.95 -0.11 0.00 -1.51 0.00 0.00 72.50 69.93 1w0v s THR 68 CO 0.05 -0.14 1.46 -0.70 -2.21 0.00 0.00 174.62 173.08 1w0v s GLU 69 N -2.21 4.17 0.11 7.08 -6.30 -1.26 -1.47 118.70 118.82 1w0v s GLU 69 Ca -0.07 2.49 -0.12 0.00 -2.50 0.00 0.00 54.97 54.77 1w0v s GLU 69 Cb -0.01 -3.00 0.02 0.00 0.00 0.00 0.00 34.13 31.14 1w0v s GLU 69 CO 0.00 -0.47 0.30 -0.59 0.02 0.00 0.00 175.26 174.52 1w0v s PHE 70 N -0.94 -0.01 -0.46 5.30 -0.71 -0.91 -4.84 117.98 115.41 1w0v s PHE 70 Ca 0.54 -0.36 0.03 0.00 -1.04 0.00 0.00 56.93 56.10 1w0v s PHE 70 Cb -0.45 0.10 0.13 0.00 -1.21 0.00 0.00 43.02 41.59 1w0v s PHE 70 CO 0.58 -0.63 0.21 0.99 -1.34 0.00 0.00 175.22 175.04 1w0v s THR 71 N -3.84 2.09 0.50 -4.49 2.01 -1.26 0.06 115.64 110.71 1w0v s THR 71 Ca 0.05 -2.85 -0.22 0.00 0.31 0.00 0.00 61.69 58.98 1w0v s THR 71 Cb 0.03 -2.47 -0.08 0.00 0.01 0.00 0.00 72.50 69.99 1w0v s THR 71 CO -0.11 -0.79 1.12 -0.81 -0.69 0.00 0.00 174.62 173.33 1w0v n PRO 72 N 3.50 1.40 -4.01 4.92 -0.04 -1.26 -4.74 135.00 134.78 1w0v n PRO 72 Ca 0.05 0.51 -0.22 0.00 -0.04 0.00 0.00 63.50 63.81 1w0v n PRO 72 Cb 0.35 -2.25 -0.06 0.00 -0.04 0.00 0.00 33.50 31.49 1w0v n PRO 72 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1w0v n THR 73 N -0.91 0.00 -0.11 0.52 -2.24 -1.26 -2.37 114.28 107.91 1w0v n THR 73 Ca 0.10 -1.96 -0.10 0.00 -2.27 0.00 0.00 64.05 59.82 1w0v n THR 73 Cb 0.43 0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 69.29 1w0v n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1w0v h GLU 74 N 0.00 0.52 0.00 -0.78 4.81 -1.98 -3.36 114.58 113.79 1w0v h GLU 74 Ca -0.27 -0.13 -0.30 0.00 -0.13 0.00 0.00 59.36 58.53 1w0v h GLU 74 Cb 1.01 -0.06 -0.05 0.00 0.63 0.00 0.00 28.75 30.27 1w0v h GLU 74 CO 0.44 0.60 -2.01 0.36 -0.73 0.00 0.00 179.01 177.67 1w0v n LYS 75 N -4.63 0.66 -1.84 1.92 2.85 -1.26 -4.90 118.16 110.96 1w0v n LYS 75 Ca -0.02 0.12 -0.42 0.00 -1.05 0.00 0.00 58.31 56.94 1w0v n LYS 75 Cb 0.20 -1.65 -0.03 0.00 -0.65 0.00 0.00 35.03 32.90 1w0v n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1w0v s ASP 76 N -5.68 6.51 -0.18 -5.58 1.01 -1.26 -4.99 116.67 106.50 1w0v s ASP 76 Ca -0.07 2.68 -0.08 0.00 0.71 0.00 0.00 52.55 55.79 1w0v s ASP 76 Cb 0.07 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1w0v s ASP 76 CO 0.83 -0.91 0.08 -1.61 0.21 0.00 0.00 175.17 173.77 1w0v s GLU 77 N 1.79 3.97 0.22 8.23 2.02 -1.26 -4.70 118.70 128.97 1w0v s GLU 77 Ca 0.74 -0.30 0.12 0.00 0.02 0.00 0.00 54.97 55.55 1w0v s GLU 77 Cb -0.45 -3.25 -0.05 0.00 0.10 0.00 0.00 34.13 30.49 1w0v s GLU 77 CO 0.33 0.33 -0.23 0.71 0.02 0.00 0.00 175.26 176.42 1w0v s TYR 78 N 0.24 2.30 0.18 1.61 2.02 -1.26 -0.40 117.35 122.03 1w0v s TYR 78 Ca 0.05 -0.35 -0.23 0.00 -0.37 0.00 0.00 57.07 56.17 1w0v s TYR 78 Cb -0.12 -1.09 0.06 0.00 -0.40 0.00 0.00 41.96 40.41 1w0v s TYR 78 CO -0.00 0.57 0.72 0.00 -1.57 0.00 0.00 175.55 175.27 1w0v s ALA 79 N -1.95 -1.51 -0.11 3.71 0.00 -0.84 -0.98 121.76 120.08 1w0v s ALA 79 Ca 0.24 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1w0v s ALA 79 Cb -0.07 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1w0v s ALA 79 CO 0.11 -0.88 -0.16 0.00 0.00 0.00 0.00 175.76 174.83 1w0v s ARG 81 N 0.22 3.34 -0.07 0.00 3.52 0.41 -0.98 118.95 125.39 1w0v s ARG 81 Ca -0.10 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 54.88 1w0v s ARG 81 Cb -0.16 -2.85 -0.00 0.00 -1.56 0.00 0.00 34.95 30.38 1w0v s ARG 81 CO 0.06 -0.08 -0.21 0.08 -0.81 0.00 0.00 175.30 174.34 1w0v s VAL 82 N 1.13 1.77 0.02 7.11 1.01 0.11 -1.03 120.40 130.51 1w0v s VAL 82 Ca 0.01 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1w0v s VAL 82 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1w0v s VAL 82 CO -0.02 0.50 -0.22 0.21 0.00 0.00 0.00 175.10 175.56 1w0v s ASN 83 N 0.16 2.65 0.08 3.32 2.47 0.23 -0.47 114.94 123.39 1w0v s ASN 83 Ca -0.10 -0.49 -0.22 0.00 0.42 0.00 0.00 52.86 52.47 1w0v s ASN 83 Cb -0.15 -0.25 0.06 0.00 -1.45 0.00 0.00 41.25 39.45 1w0v s ASN 83 CO 0.05 0.22 0.54 -2.28 -3.72 0.00 0.00 177.10 171.91 1w0v s HIS 84 N -0.69 -0.44 0.59 0.43 5.65 -1.26 -1.37 115.29 118.20 1w0v s HIS 84 Ca 0.09 0.40 0.29 0.00 0.25 0.00 0.00 55.06 56.09 1w0v s HIS 84 Cb -0.09 0.39 1.73 0.00 -1.18 0.00 0.00 32.58 33.43 1w0v s HIS 84 CO 0.01 -0.70 2.16 -0.24 -0.65 0.00 0.00 174.74 175.31 1w0v h VAL 85 N 2.53 0.48 -0.02 0.89 3.04 -1.95 -1.01 116.25 120.22 1w0v h VAL 85 Ca -0.32 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 1w0v h VAL 85 Cb 1.24 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 1w0v h VAL 85 CO 0.41 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.32 1w0v n THR 86 N -3.80 0.02 -4.30 3.17 -2.24 -1.26 -4.79 114.28 101.07 1w0v n THR 86 Ca -0.00 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 1w0v n THR 86 Cb 0.23 -0.24 -0.15 0.00 -2.10 0.00 0.00 70.33 68.08 1w0v n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1w0v s LEU 87 N -1.82 2.67 0.24 3.22 1.43 -0.39 -4.99 118.68 119.05 1w0v s LEU 87 Ca 0.39 -0.42 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1w0v s LEU 87 Cb 0.18 -1.64 0.28 0.00 0.03 0.00 0.00 46.19 45.04 1w0v s LEU 87 CO 0.30 0.06 1.74 0.77 0.23 0.00 0.00 176.35 179.45 1w0v h SER 88 N 7.52 0.84 -4.21 2.29 4.64 -1.87 -3.44 113.55 119.32 1w0v h SER 88 Ca -0.36 -0.20 -0.35 0.00 -0.47 0.00 0.00 61.79 60.41 1w0v h SER 88 Cb 1.18 -0.22 -0.14 0.00 -0.31 0.00 0.00 62.40 62.90 1w0v h SER 88 CO 0.59 0.89 -0.64 0.00 -0.87 0.00 0.00 176.83 176.79 1w0v s GLN 89 N -5.05 1.31 0.39 4.77 -2.07 -1.26 -5.14 119.66 112.62 1w0v s GLN 89 Ca -0.10 -1.67 -0.27 0.00 -1.82 0.00 0.00 55.36 51.50 1w0v s GLN 89 Cb 0.15 -0.42 -0.10 0.00 -1.09 0.00 0.00 33.01 31.55 1w0v s GLN 89 CO 0.82 -0.17 1.39 -2.14 -1.32 0.00 0.00 175.29 173.87 1w0v s PRO 90 N -3.93 4.01 -0.19 9.60 0.02 -1.26 -4.89 135.00 138.36 1w0v s PRO 90 Ca 0.30 2.35 -0.11 0.00 0.02 0.00 0.00 61.00 63.56 1w0v s PRO 90 Cb 0.07 -2.85 -0.05 0.00 0.02 0.00 0.00 34.50 31.69 1w0v s PRO 90 CO 0.09 -0.53 0.19 0.21 -0.33 0.00 0.00 177.00 176.64 1w0v s LYS 91 N -2.17 4.20 -0.21 5.54 2.47 0.38 -4.88 119.74 125.08 1w0v s LYS 91 Ca 0.55 -0.11 -0.05 0.00 -1.56 0.00 0.00 55.97 54.81 1w0v s LYS 91 Cb -0.42 -3.44 -0.02 0.00 -1.46 0.00 0.00 37.83 32.49 1w0v s LYS 91 CO 0.55 0.25 -0.01 0.42 0.16 0.00 0.00 175.35 176.72 1w0v s ILE 92 N 0.48 3.78 -0.22 5.43 1.01 -1.26 0.03 121.20 130.46 1w0v s ILE 92 Ca 0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1w0v s ILE 92 Cb -0.12 -2.71 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 1w0v s ILE 92 CO 0.01 0.42 -0.05 -0.69 0.00 0.00 0.00 174.94 174.62 1w0v s VAL 93 N 1.19 3.22 0.13 2.92 1.01 -0.15 -4.98 120.40 123.74 1w0v s VAL 93 Ca 0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 1w0v s VAL 93 Cb -0.15 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 1w0v s VAL 93 CO 0.01 0.40 1.27 -0.54 0.00 0.00 0.00 175.10 176.23 1w0v s LYS 94 N 1.45 4.41 0.09 2.72 1.02 -1.26 -1.09 119.74 127.07 1w0v s LYS 94 Ca 0.05 1.92 -0.31 0.00 0.02 0.00 0.00 55.97 57.66 1w0v s LYS 94 Cb -0.14 -3.27 -0.08 0.00 -0.52 0.00 0.00 37.83 33.82 1w0v s LYS 94 CO -0.04 -0.26 1.55 -0.46 -0.92 0.00 0.00 175.35 175.22 1w0v s TRP 95 N 0.62 2.76 -0.17 3.18 -0.00 -0.15 -4.93 118.94 120.25 1w0v s TRP 95 Ca 0.58 0.57 -0.01 0.00 -0.00 0.00 0.00 56.10 57.24 1w0v s TRP 95 Cb -0.33 -3.86 0.05 0.00 -0.00 0.00 0.00 33.47 29.32 1w0v s TRP 95 CO 0.33 -3.31 -0.04 0.34 -0.00 0.00 0.00 176.95 174.27 1w0v s ASP 96 N 1.84 2.92 0.10 5.86 -1.08 -1.26 -4.70 116.67 120.33 1w0v s ASP 96 Ca 0.70 -0.72 0.07 0.00 -0.52 0.00 0.00 52.55 52.08 1w0v s ASP 96 Cb -0.39 -0.89 0.37 0.00 -1.46 0.00 0.00 42.92 40.56 1w0v s ASP 96 CO 0.31 -0.21 1.21 -2.11 0.52 0.00 0.00 175.17 174.90 1w0v n ARG 97 N 4.88 0.04 -0.43 4.34 1.85 -1.26 -1.32 116.66 124.76 1w0v n ARG 97 Ca -0.11 0.53 0.07 0.00 -1.00 0.00 0.00 57.85 57.34 1w0v n ARG 97 Cb 0.47 -1.64 0.26 0.00 -1.05 0.00 0.00 32.46 30.50 1w0v n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1w0v n ASP 98 N -1.73 3.51 0.00 2.89 8.00 -1.26 -4.74 116.55 123.22 1w0v n ASP 98 Ca -0.00 -2.29 0.00 0.00 0.71 0.00 0.00 54.79 53.21 1w0v n ASP 98 Cb 0.02 -0.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 1w0v n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04