#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vaa s GLN 2 N 0.00 3.28 -0.03 0.38 0.74 -1.25 -3.03 119.66 119.74 2vaa s GLN 2 Ca 0.00 -0.68 0.02 0.00 0.05 0.00 0.00 55.36 54.75 2vaa s GLN 2 Cb 0.00 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.23 2vaa s GLN 2 CO 0.00 -0.19 -0.08 0.15 -0.55 0.00 0.00 175.29 174.62 2vaa s LYS 3 N 1.40 1.01 0.07 1.67 1.02 0.13 -4.90 119.74 120.14 2vaa s LYS 3 Ca 0.05 -0.27 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 2vaa s LYS 3 Cb -0.14 -0.93 -0.05 0.00 -0.52 0.00 0.00 37.83 36.19 2vaa s LYS 3 CO -0.05 0.05 1.03 0.99 -0.92 0.00 0.00 175.35 176.45 2vaa s THR 4 N 0.42 4.46 0.40 2.17 2.01 -1.26 -2.59 115.64 121.25 2vaa s THR 4 Ca -0.07 1.90 -0.25 0.00 0.31 0.00 0.00 61.69 63.58 2vaa s THR 4 Cb -0.11 -4.22 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 2vaa s THR 4 CO 0.01 0.22 1.20 -2.16 -0.69 0.00 0.00 174.62 173.20 2vaa s PRO 5 N 0.47 4.04 -0.26 4.92 0.04 -1.26 -4.61 135.00 138.34 2vaa s PRO 5 Ca 0.51 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.35 2vaa s PRO 5 Cb -0.24 -2.70 -0.05 0.00 0.04 0.00 0.00 34.50 31.55 2vaa s PRO 5 CO 0.30 -0.35 0.17 -0.65 0.04 0.00 0.00 177.00 176.51 2vaa s GLN 6 N -2.27 4.02 -0.22 4.56 -1.52 0.22 -4.92 119.66 119.52 2vaa s GLN 6 Ca 0.57 -0.29 -0.06 0.00 -1.95 0.00 0.00 55.36 53.63 2vaa s GLN 6 Cb -0.32 -3.58 -0.02 0.00 -0.22 0.00 0.00 33.01 28.86 2vaa s GLN 6 CO 0.41 -0.04 0.02 0.42 -0.25 0.00 0.00 175.29 175.85 2vaa s ILE 7 N 1.34 4.01 -0.10 1.08 1.01 -1.26 -0.94 121.20 126.34 2vaa s ILE 7 Ca 0.07 -0.28 0.04 0.00 0.00 0.00 0.00 60.65 60.48 2vaa s ILE 7 Cb -0.15 -2.84 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2vaa s ILE 7 CO 0.07 0.39 -0.23 -1.10 0.00 0.00 0.00 174.94 174.07 2vaa s GLN 8 N 1.30 2.98 -0.09 2.79 -0.21 -0.22 -4.99 119.66 121.21 2vaa s GLN 8 Ca 0.04 -0.85 0.03 0.00 0.02 0.00 0.00 55.36 54.60 2vaa s GLN 8 Cb -0.15 -2.25 -0.01 0.00 1.00 0.00 0.00 33.01 31.60 2vaa s GLN 8 CO 0.02 0.17 -0.20 0.08 -2.12 0.00 0.00 175.29 173.24 2vaa s VAL 9 N 0.36 2.49 0.02 1.09 1.01 -1.26 -0.74 120.40 123.38 2vaa s VAL 9 Ca -0.19 -0.88 -0.28 0.00 0.00 0.00 0.00 61.98 60.63 2vaa s VAL 9 Cb -0.18 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.32 2vaa s VAL 9 CO 0.09 0.56 0.85 -0.72 0.00 0.00 0.00 175.10 175.87 2vaa s TYR 10 N 0.07 -0.37 0.29 5.22 1.13 -0.53 -4.73 117.35 118.42 2vaa s TYR 10 Ca -0.08 0.23 0.06 0.00 -1.41 0.00 0.00 57.07 55.86 2vaa s TYR 10 Cb -0.15 0.54 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 2vaa s TYR 10 CO 0.05 -0.59 0.35 -1.54 -2.51 0.00 0.00 175.55 171.31 2vaa s SER 11 N -2.52 5.88 0.13 -0.18 1.04 -1.26 0.26 113.70 117.04 2vaa s SER 11 Ca 0.04 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.18 2vaa s SER 11 Cb -0.01 -1.42 -0.03 0.00 0.10 0.00 0.00 66.02 64.65 2vaa s SER 11 CO -0.10 -0.22 1.50 -0.09 0.98 0.00 0.00 173.24 175.31 2vaa h ARG 12 N 1.16 0.85 -5.71 4.02 9.65 -1.46 -3.46 114.38 119.43 2vaa h ARG 12 Ca -0.48 -0.38 -0.55 0.00 -1.10 0.00 0.00 59.98 57.46 2vaa h ARG 12 Cb 1.24 -0.02 -0.14 0.00 -1.39 0.00 0.00 29.97 29.67 2vaa h ARG 12 CO 0.58 1.02 -0.68 -1.01 2.80 0.00 0.00 179.97 182.69 2vaa s HIS 13 N -4.59 2.16 0.21 2.20 3.76 -1.26 -5.03 115.29 112.74 2vaa s HIS 13 Ca -0.12 -0.60 -0.31 0.00 -0.15 0.00 0.00 55.06 53.88 2vaa s HIS 13 Cb 0.11 -1.23 -0.11 0.00 1.11 0.00 0.00 32.58 32.45 2vaa s HIS 13 CO 0.85 0.42 1.59 -2.14 -0.85 0.00 0.00 174.74 174.62 2vaa s PRO 14 N -3.67 4.18 0.31 8.40 0.02 -1.26 -4.88 135.00 138.10 2vaa s PRO 14 Ca 0.31 2.45 -0.30 0.00 0.02 0.00 0.00 61.00 63.49 2vaa s PRO 14 Cb 0.03 -3.10 -0.11 0.00 0.02 0.00 0.00 34.50 31.33 2vaa s PRO 14 CO 0.14 -0.62 1.57 -1.25 -0.33 0.00 0.00 177.00 176.50 2vaa s PRO 15 N 0.65 4.13 -0.14 5.54 0.04 -1.26 -5.00 135.00 138.95 2vaa s PRO 15 Ca 0.69 2.56 -0.02 0.00 0.04 0.00 0.00 61.00 64.26 2vaa s PRO 15 Cb -0.46 -3.02 0.05 0.00 0.04 0.00 0.00 34.50 31.11 2vaa s PRO 15 CO 0.36 -0.60 0.03 -1.21 0.04 0.00 0.00 177.00 175.61 2vaa s GLU 16 N -0.78 0.59 0.10 4.56 2.02 -1.26 -5.11 118.70 118.82 2vaa s GLU 16 Ca 0.61 -0.17 -0.36 0.00 0.02 0.00 0.00 54.97 55.07 2vaa s GLU 16 Cb -0.47 -1.62 -0.16 0.00 0.10 0.00 0.00 34.13 31.99 2vaa s GLU 16 CO 0.50 -0.50 1.44 0.09 0.02 0.00 0.00 175.26 176.81 2vaa n ASN 17 N 5.11 2.18 0.00 -0.19 3.02 -1.26 -0.80 115.26 123.31 2vaa n ASN 17 Ca -0.08 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 2vaa n ASN 17 Cb 0.48 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 2vaa n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vaa n GLY 18 N 2.90 3.22 3.72 7.41 0.00 -0.15 -5.00 105.19 117.28 2vaa n GLY 18 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2vaa n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vaa s LYS 19 N -0.68 4.30 0.76 1.61 -0.14 0.01 -4.94 119.74 120.66 2vaa s LYS 19 Ca 0.00 0.32 -0.15 0.00 -1.36 0.00 0.00 55.97 54.78 2vaa s LYS 19 Cb 0.00 -3.44 0.04 0.00 -1.68 0.00 0.00 37.83 32.75 2vaa s LYS 19 CO 0.00 0.17 1.15 -2.30 -0.76 0.00 0.00 175.35 173.61 2vaa n PRO 20 N 3.71 0.44 -1.68 -1.68 -0.02 -1.26 -4.04 135.00 130.47 2vaa n PRO 20 Ca -0.09 0.22 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2vaa n PRO 20 Cb 0.52 -2.40 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 2vaa n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2vaa n ASN 21 N -2.57 -0.54 -3.98 2.55 2.85 0.20 -4.94 115.26 108.82 2vaa n ASN 21 Ca 0.14 -1.37 -0.22 0.00 -0.11 0.00 0.00 54.58 53.02 2vaa n ASN 21 Cb 0.50 0.91 -0.16 0.00 1.24 0.00 0.00 39.78 42.26 2vaa n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2vaa s ILE 22 N -2.77 0.84 -0.16 -1.44 1.01 -1.26 -1.04 121.20 116.38 2vaa s ILE 22 Ca 0.04 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.28 2vaa s ILE 22 Cb -0.01 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2vaa s ILE 22 CO 0.03 0.28 0.08 -0.22 0.00 0.00 0.00 174.94 175.11 2vaa s LEU 23 N 0.51 3.98 0.06 2.97 2.96 0.45 -1.01 118.68 128.60 2vaa s LEU 23 Ca -0.09 0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.12 2vaa s LEU 23 Cb -0.12 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 2vaa s LEU 23 CO 0.01 0.25 -0.25 0.20 -1.32 0.00 0.00 176.35 175.25 2vaa s ASN 24 N -0.11 3.02 -0.31 3.68 0.01 0.14 -1.87 114.94 119.50 2vaa s ASN 24 Ca 0.08 -0.61 -0.01 0.00 -0.71 0.00 0.00 52.86 51.60 2vaa s ASN 24 Cb -0.12 -0.25 0.10 0.00 0.41 0.00 0.00 41.25 41.39 2vaa s ASN 24 CO 0.01 0.21 0.12 0.00 -1.51 0.00 0.00 177.10 175.93 2vaa s TYR 26 N 1.67 3.18 -0.34 0.00 5.04 0.08 -0.98 117.35 126.01 2vaa s TYR 26 Ca 0.10 0.21 -0.09 0.00 -2.44 0.00 0.00 57.07 54.85 2vaa s TYR 26 Cb -0.17 -2.91 0.02 0.00 0.35 0.00 0.00 41.96 39.25 2vaa s TYR 26 CO -0.26 -0.52 0.15 0.08 -1.34 0.00 0.00 175.55 173.65 2vaa s VAL 27 N 2.39 4.28 0.31 3.14 1.01 -0.36 -1.06 120.40 130.10 2vaa s VAL 27 Ca 0.19 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.43 2vaa s VAL 27 Cb -0.15 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 2vaa s VAL 27 CO 0.13 -0.11 -0.09 0.42 0.00 0.00 0.00 175.10 175.44 2vaa s THR 28 N 1.52 2.04 -1.31 3.92 -4.23 -0.12 -1.17 115.64 116.28 2vaa s THR 28 Ca 0.02 -2.20 -0.01 0.00 -1.18 0.00 0.00 61.69 58.32 2vaa s THR 28 Cb -0.19 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2vaa s THR 28 CO 0.05 -0.27 0.71 0.00 -0.54 0.00 0.00 174.62 174.57 2vaa n GLN 29 N -0.69 -4.96 -4.42 3.99 6.02 0.52 -0.61 117.38 117.25 2vaa n GLN 29 Ca -0.05 0.62 -0.23 0.00 -0.01 0.00 0.00 57.00 57.33 2vaa n GLN 29 Cb 0.63 -5.20 -0.11 0.00 1.02 0.00 0.00 30.24 26.59 2vaa n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 2vaa s PHE 30 N -3.66 2.12 -0.28 1.08 -0.71 -1.09 -4.29 117.98 111.15 2vaa s PHE 30 Ca 0.02 -0.40 -0.22 0.00 -1.04 0.00 0.00 56.93 55.30 2vaa s PHE 30 Cb -0.01 -0.98 0.11 0.00 -1.21 0.00 0.00 43.02 40.93 2vaa s PHE 30 CO 0.81 0.54 0.89 -1.58 -1.34 0.00 0.00 175.22 174.54 2vaa s HIS 31 N -2.32 -0.67 1.10 3.49 2.46 -1.07 -0.93 115.29 117.36 2vaa s HIS 31 Ca 0.24 1.50 -0.15 0.00 0.47 0.00 0.00 55.06 57.12 2vaa s HIS 31 Cb -0.05 0.38 0.24 0.00 -0.13 0.00 0.00 32.58 33.02 2vaa s HIS 31 CO 0.11 -0.33 1.09 -1.25 -2.47 0.00 0.00 174.74 171.90 2vaa s PRO 32 N 0.72 -0.36 0.39 2.88 0.04 -1.17 0.20 135.00 137.70 2vaa s PRO 32 Ca -0.02 0.28 0.28 0.00 0.04 0.00 0.00 61.00 61.58 2vaa s PRO 32 Cb -0.05 -1.67 1.31 0.00 0.04 0.00 0.00 34.50 34.14 2vaa s PRO 32 CO -0.09 -3.21 1.85 -1.00 0.04 0.00 0.00 177.00 174.59 2vaa h PRO 33 N -2.23 0.00 -6.38 0.56 0.13 -1.94 -3.45 132.00 118.69 2vaa h PRO 33 Ca -0.51 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.08 2vaa h PRO 33 Cb 1.32 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.47 2vaa h PRO 33 CO 0.48 0.00 1.11 -1.01 -0.23 0.00 0.00 178.00 178.35 2vaa s HIS 34 N -3.56 1.94 -0.10 1.56 3.76 -1.26 -4.96 115.29 112.67 2vaa s HIS 34 Ca 0.01 0.01 -0.30 0.00 -0.15 0.00 0.00 55.06 54.63 2vaa s HIS 34 Cb 0.09 -4.06 0.08 0.00 1.11 0.00 0.00 32.58 29.80 2vaa s HIS 34 CO 0.38 -4.50 0.74 -1.50 -0.85 0.00 0.00 174.74 169.01 2vaa s ILE 35 N 3.53 0.00 -0.17 0.60 2.07 -1.26 -4.65 121.20 121.32 2vaa s ILE 35 Ca 0.79 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 60.04 2vaa s ILE 35 Cb -0.40 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.21 2vaa s ILE 35 CO 0.35 0.00 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.50 2vaa s GLU 36 N -0.94 2.77 -0.11 3.50 2.12 -0.65 -4.99 118.70 120.40 2vaa s GLU 36 Ca -0.08 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.53 2vaa s GLU 36 Cb -0.01 -2.41 -0.01 0.00 0.26 0.00 0.00 34.13 31.96 2vaa s GLU 36 CO 0.07 -0.20 -0.18 0.42 -0.54 0.00 0.00 175.26 174.83 2vaa s ILE 37 N 1.31 2.63 -0.01 -3.70 1.01 -1.26 -1.03 121.20 120.15 2vaa s ILE 37 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.89 2vaa s ILE 37 Cb -0.13 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.28 2vaa s ILE 37 CO -0.11 0.55 -0.08 -1.10 0.00 0.00 0.00 174.94 174.19 2vaa s GLN 38 N 0.21 0.75 -0.12 2.79 -0.21 -0.01 -4.99 119.66 118.08 2vaa s GLN 38 Ca -0.11 -0.27 -0.02 0.00 0.02 0.00 0.00 55.36 54.97 2vaa s GLN 38 Cb -0.16 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 33.10 2vaa s GLN 38 CO 0.06 0.13 -0.02 -1.64 -2.12 0.00 0.00 175.29 171.70 2vaa s MET 39 N 0.02 3.27 -0.04 2.91 -1.94 -1.26 -0.07 119.30 122.20 2vaa s MET 39 Ca -0.00 -0.47 0.06 0.00 -1.71 0.00 0.00 55.69 53.56 2vaa s MET 39 Cb -0.06 -2.83 -0.01 0.00 2.01 0.00 0.00 34.83 33.94 2vaa s MET 39 CO -0.00 0.49 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.78 2vaa s LEU 40 N -0.31 2.00 -0.26 -0.03 1.43 0.75 -0.75 118.68 121.51 2vaa s LEU 40 Ca 0.06 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2vaa s LEU 40 Cb -0.12 -1.12 0.02 0.00 0.03 0.00 0.00 46.19 44.99 2vaa s LEU 40 CO 0.02 0.22 -0.01 -0.75 0.23 0.00 0.00 176.35 176.06 2vaa s LYS 41 N -0.20 3.00 -1.43 1.70 2.20 0.89 -1.47 119.74 124.43 2vaa s LYS 41 Ca 0.00 -0.88 -0.10 0.00 -0.36 0.00 0.00 55.97 54.63 2vaa s LYS 41 Cb -0.11 -3.12 0.05 0.00 -1.51 0.00 0.00 37.83 33.14 2vaa s LYS 41 CO 0.02 -0.38 1.04 0.09 -0.36 0.00 0.00 175.35 175.75 2vaa n ASN 42 N 4.75 -4.90 0.00 1.43 3.02 0.04 -1.51 115.26 118.10 2vaa n ASN 42 Ca -0.16 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.70 2vaa n ASN 42 Cb 0.48 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 2vaa n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vaa n GLY 43 N -1.77 1.03 3.60 7.41 0.00 -1.26 -4.99 105.19 109.20 2vaa n GLY 43 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 2vaa n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vaa s LYS 44 N -0.15 2.93 0.30 1.61 2.20 -0.57 -5.03 119.74 121.03 2vaa s LYS 44 Ca 0.00 -0.51 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 2vaa s LYS 44 Cb 0.00 -2.68 -0.11 0.00 -1.51 0.00 0.00 37.83 33.53 2vaa s LYS 44 CO 0.00 0.62 1.50 0.21 -0.36 0.00 0.00 175.35 177.32 2vaa s LYS 45 N -0.67 4.18 -0.15 4.03 2.20 -1.26 -0.08 119.74 127.99 2vaa s LYS 45 Ca 0.10 2.46 -0.18 0.00 -0.36 0.00 0.00 55.97 57.99 2vaa s LYS 45 Cb -0.12 -3.04 -0.04 0.00 -1.51 0.00 0.00 37.83 33.12 2vaa s LYS 45 CO 0.02 -0.51 0.49 0.42 -0.36 0.00 0.00 175.35 175.41 2vaa s ILE 46 N -0.31 5.15 -0.09 5.43 1.01 0.07 -4.83 121.20 127.64 2vaa s ILE 46 Ca 0.59 0.95 -0.26 0.00 0.00 0.00 0.00 60.65 61.93 2vaa s ILE 46 Cb -0.45 -3.83 -0.22 0.00 0.01 0.00 0.00 42.46 37.97 2vaa s ILE 46 CO 0.50 0.26 0.91 1.55 0.00 0.00 0.00 174.94 178.17 2vaa h PRO 47 N 7.04 -0.02 -5.73 2.79 0.13 -1.94 -3.41 132.00 130.85 2vaa h PRO 47 Ca -0.38 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.21 2vaa h PRO 47 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 2vaa h PRO 47 CO 0.75 0.72 1.72 0.21 -0.23 0.00 0.00 178.00 181.17 2vaa s LYS 48 N -2.98 3.39 -0.12 0.86 2.20 -1.26 -4.90 119.74 116.92 2vaa s LYS 48 Ca -0.17 -1.60 -0.00 0.00 -0.36 0.00 0.00 55.97 53.83 2vaa s LYS 48 Cb -0.01 -5.41 0.03 0.00 -1.51 0.00 0.00 37.83 30.93 2vaa s LYS 48 CO 0.64 -2.91 -0.07 0.08 -0.36 0.00 0.00 175.35 172.73 2vaa s VAL 49 N 6.87 1.05 -0.01 4.02 1.01 -1.26 -4.63 120.40 127.45 2vaa s VAL 49 Ca 0.59 -0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 2vaa s VAL 49 Cb 0.02 -1.10 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 2vaa s VAL 49 CO 0.09 0.32 0.46 -1.61 0.00 0.00 0.00 175.10 174.36 2vaa s GLU 50 N 1.69 4.08 -0.15 2.72 2.02 0.22 -4.89 118.70 124.39 2vaa s GLU 50 Ca 0.04 0.50 -0.05 0.00 0.02 0.00 0.00 54.97 55.48 2vaa s GLU 50 Cb -0.13 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2vaa s GLU 50 CO -0.08 0.55 0.01 -1.64 0.02 0.00 0.00 175.26 174.12 2vaa s MET 51 N -0.68 3.67 0.23 1.61 -1.94 -1.26 -0.55 119.30 120.37 2vaa s MET 51 Ca 0.25 -0.43 -0.08 0.00 -1.71 0.00 0.00 55.69 53.73 2vaa s MET 51 Cb -0.17 -3.01 0.03 0.00 2.01 0.00 0.00 34.83 33.69 2vaa s MET 51 CO 0.14 0.35 0.44 -1.13 -0.01 0.00 0.00 175.02 174.81 2vaa n SER 52 N 3.25 -1.29 -3.80 3.03 3.41 0.11 -4.98 113.62 113.36 2vaa n SER 52 Ca -0.17 -1.93 -0.24 0.00 -0.26 0.00 0.00 58.87 56.26 2vaa n SER 52 Cb 0.53 2.16 0.02 0.00 -0.26 0.00 0.00 64.21 66.66 2vaa n SER 52 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2vaa n ASP 53 N -1.35 -1.78 -4.75 4.04 8.00 -1.26 -0.33 116.55 119.12 2vaa n ASP 53 Ca -0.05 -0.85 -0.40 0.00 0.71 0.00 0.00 54.79 54.20 2vaa n ASP 53 Cb 0.34 -3.81 -0.05 0.00 -0.02 0.00 0.00 41.12 37.58 2vaa n ASP 53 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2vaa s MET 54 N -6.23 4.64 0.28 -1.24 1.75 -1.26 -4.23 119.30 113.01 2vaa s MET 54 Ca 0.15 1.27 -0.20 0.00 -1.25 0.00 0.00 55.69 55.66 2vaa s MET 54 Cb -0.08 -3.32 0.04 0.00 2.84 0.00 0.00 34.83 34.32 2vaa s MET 54 CO 0.83 0.41 0.81 -1.54 -0.65 0.00 0.00 175.02 174.88 2vaa s SER 55 N -0.64 -0.14 0.13 1.11 1.04 -0.58 -5.00 113.70 109.62 2vaa s SER 55 Ca 0.40 -0.74 0.09 0.00 0.48 0.00 0.00 55.95 56.18 2vaa s SER 55 Cb -0.23 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 2vaa s SER 55 CO 0.27 -1.35 -0.22 -0.36 0.98 0.00 0.00 173.24 172.57 2vaa s PHE 56 N -3.18 1.95 0.13 5.02 0.08 -1.26 -1.03 117.98 119.69 2vaa s PHE 56 Ca 0.13 -0.41 -0.00 0.00 0.12 0.00 0.00 56.93 56.77 2vaa s PHE 56 Cb -0.05 -1.04 0.03 0.00 -0.57 0.00 0.00 43.02 41.39 2vaa s PHE 56 CO 0.07 0.29 0.18 -1.13 -0.10 0.00 0.00 175.22 174.53 2vaa n SER 57 N 0.80 0.24 0.22 1.36 3.41 -0.69 -4.91 113.62 114.05 2vaa n SER 57 Ca -0.17 -1.20 0.07 0.00 -0.26 0.00 0.00 58.87 57.31 2vaa n SER 57 Cb 0.54 -0.12 0.51 0.00 -0.26 0.00 0.00 64.21 64.88 2vaa n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2vaa h LYS 58 N 0.00 0.00 -0.16 4.33 1.57 -2.01 -1.78 116.57 118.52 2vaa h LYS 58 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2vaa h LYS 58 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2vaa h LYS 58 CO 0.06 0.25 0.00 -0.40 -0.57 0.00 0.00 179.45 178.79 2vaa n ASP 59 N -3.92 1.23 0.00 0.86 5.75 -1.26 -4.91 116.55 114.31 2vaa n ASP 59 Ca -0.02 -1.74 0.00 0.00 -0.01 0.00 0.00 54.79 53.03 2vaa n ASP 59 Cb 0.33 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 2vaa n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2vaa n TRP 60 N 0.07 0.00 -2.37 2.11 7.02 -0.67 -5.02 117.44 118.58 2vaa n TRP 60 Ca 0.13 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.27 2vaa n TRP 60 Cb 0.24 -0.19 -0.02 0.00 -2.42 0.00 0.00 31.31 28.93 2vaa n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2vaa s SER 61 N -2.63 6.03 0.38 -0.99 1.04 -1.26 -4.68 113.70 111.59 2vaa s SER 61 Ca 0.00 2.01 -0.16 0.00 0.48 0.00 0.00 55.95 58.28 2vaa s SER 61 Cb 0.00 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 2vaa s SER 61 CO 0.00 -1.00 0.82 -0.36 0.98 0.00 0.00 173.24 173.68 2vaa s PHE 62 N -1.96 3.38 -0.04 5.02 0.40 -0.10 -1.71 117.98 122.97 2vaa s PHE 62 Ca 0.69 1.31 0.01 0.00 -0.60 0.00 0.00 56.93 58.34 2vaa s PHE 62 Cb -0.19 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 40.74 2vaa s PHE 62 CO 0.25 -0.03 -0.04 0.71 0.70 0.00 0.00 175.22 176.81 2vaa s TYR 63 N -2.15 0.64 -0.02 0.36 1.51 -0.20 -0.35 117.35 117.13 2vaa s TYR 63 Ca 0.56 -0.15 -0.06 0.00 -1.01 0.00 0.00 57.07 56.41 2vaa s TYR 63 Cb -0.10 -0.59 0.01 0.00 -0.11 0.00 0.00 41.96 41.17 2vaa s TYR 63 CO 0.20 -0.16 0.13 -1.50 -1.11 0.00 0.00 175.55 173.10 2vaa s ILE 64 N 0.86 0.05 -0.13 2.71 1.10 -0.32 -1.52 121.20 123.95 2vaa s ILE 64 Ca -0.11 -0.38 0.01 0.00 -0.51 0.00 0.00 60.65 59.66 2vaa s ILE 64 Cb -0.14 -0.32 -0.01 0.00 0.15 0.00 0.00 42.46 42.15 2vaa s ILE 64 CO -0.00 -0.21 -0.15 -0.22 -2.11 0.00 0.00 174.94 172.25 2vaa s LEU 65 N -0.70 2.54 -0.16 8.50 2.96 0.55 -1.23 118.68 131.14 2vaa s LEU 65 Ca -0.08 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.40 2vaa s LEU 65 Cb -0.05 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 2vaa s LEU 65 CO 0.01 0.14 -0.10 0.00 -1.32 0.00 0.00 176.35 175.08 2vaa s ALA 66 N 0.52 2.70 0.04 5.97 0.00 -0.15 0.08 121.76 130.92 2vaa s ALA 66 Ca -0.10 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.80 2vaa s ALA 66 Cb -0.16 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 2vaa s ALA 66 CO 0.04 -0.01 0.13 -3.38 0.00 0.00 0.00 175.76 172.54 2vaa s HIS 67 N 0.78 0.16 0.05 0.00 -3.43 0.28 0.05 115.29 113.19 2vaa s HIS 67 Ca -0.04 -0.46 -0.18 0.00 -0.80 0.00 0.00 55.06 53.58 2vaa s HIS 67 Cb -0.15 -0.11 0.04 0.00 -1.43 0.00 0.00 32.58 30.92 2vaa s HIS 67 CO 0.01 -0.40 0.41 -0.08 -2.00 0.00 0.00 174.74 172.68 2vaa s THR 68 N -2.74 0.06 0.40 -5.38 -1.32 -0.78 -0.61 115.64 105.27 2vaa s THR 68 Ca -0.04 -0.47 -0.15 0.00 -1.21 0.00 0.00 61.69 59.82 2vaa s THR 68 Cb -0.00 -0.97 -0.08 0.00 -1.51 0.00 0.00 72.50 69.93 2vaa s THR 68 CO -0.05 -0.26 0.83 -1.61 -2.21 0.00 0.00 174.62 171.32 2vaa s GLU 69 N -2.61 3.96 -0.02 7.08 2.02 -1.26 -0.41 118.70 127.46 2vaa s GLU 69 Ca -0.04 0.73 -0.28 0.00 0.02 0.00 0.00 54.97 55.39 2vaa s GLU 69 Cb -0.01 -2.32 0.10 0.00 0.10 0.00 0.00 34.13 32.00 2vaa s GLU 69 CO -0.03 -0.01 0.85 -0.59 0.02 0.00 0.00 175.26 175.49 2vaa s PHE 70 N -2.26 -0.41 -0.29 1.61 -0.71 -0.20 -4.83 117.98 110.89 2vaa s PHE 70 Ca 0.55 0.41 0.03 0.00 -1.04 0.00 0.00 56.93 56.88 2vaa s PHE 70 Cb -0.10 0.51 0.07 0.00 -1.21 0.00 0.00 43.02 42.29 2vaa s PHE 70 CO 0.24 -0.56 -0.05 0.99 -1.34 0.00 0.00 175.22 174.50 2vaa s THR 71 N -2.62 2.24 0.59 -4.49 2.01 -1.26 0.62 115.64 112.73 2vaa s THR 71 Ca 0.01 -1.87 -0.20 0.00 0.31 0.00 0.00 61.69 59.95 2vaa s THR 71 Cb -0.01 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2vaa s THR 71 CO -0.06 -0.22 1.28 -0.81 -0.69 0.00 0.00 174.62 174.12 2vaa n PRO 72 N 4.38 1.36 -4.24 4.92 -0.04 -1.26 -4.75 135.00 135.37 2vaa n PRO 72 Ca -0.08 0.51 -0.14 0.00 -0.04 0.00 0.00 63.50 63.76 2vaa n PRO 72 Cb 0.42 -2.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.28 2vaa n PRO 72 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2vaa s THR 73 N -1.35 0.82 -0.63 0.52 2.01 -1.26 -0.98 115.64 114.77 2vaa s THR 73 Ca 0.76 -1.99 0.26 0.00 0.31 0.00 0.00 61.69 61.02 2vaa s THR 73 Cb -0.41 -2.02 0.30 0.00 0.01 0.00 0.00 72.50 70.38 2vaa s THR 73 CO 0.46 -0.57 1.75 -0.08 -0.69 0.00 0.00 174.62 175.48 2vaa h GLU 74 N 2.73 0.00 -0.01 4.92 4.57 -1.98 -3.28 114.58 121.53 2vaa h GLU 74 Ca -0.37 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2vaa h GLU 74 Cb 1.20 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 2vaa h GLU 74 CO 0.63 0.00 -0.37 0.25 -1.18 0.00 0.00 179.01 178.34 2vaa n THR 75 N -2.45 0.00 -3.42 0.32 -2.24 -1.26 -4.96 114.28 100.27 2vaa n THR 75 Ca 0.05 -0.31 -0.38 0.00 -2.27 0.00 0.00 64.05 61.14 2vaa n THR 75 Cb 0.43 1.21 -0.06 0.00 -2.10 0.00 0.00 70.33 69.81 2vaa n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2vaa s ASP 76 N -2.06 6.70 0.09 3.42 1.01 -1.24 -5.04 116.67 119.55 2vaa s ASP 76 Ca 0.15 0.83 0.09 0.00 0.71 0.00 0.00 52.55 54.33 2vaa s ASP 76 Cb 0.14 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2vaa s ASP 76 CO 0.45 0.15 -0.21 0.42 0.21 0.00 0.00 175.17 176.20 2vaa s THR 77 N -0.12 2.64 0.14 -1.27 -4.23 -1.26 -4.73 115.64 106.81 2vaa s THR 77 Ca 0.24 -1.46 0.07 0.00 -1.18 0.00 0.00 61.69 59.36 2vaa s THR 77 Cb -0.15 -2.16 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 2vaa s THR 77 CO 0.11 0.19 -0.15 -0.31 -0.54 0.00 0.00 174.62 173.91 2vaa s TYR 78 N -1.03 1.55 0.22 3.99 1.51 -1.26 -0.78 117.35 121.55 2vaa s TYR 78 Ca 0.16 -0.53 -0.20 0.00 -1.01 0.00 0.00 57.07 55.48 2vaa s TYR 78 Cb -0.10 -0.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.99 2vaa s TYR 78 CO 0.07 0.21 0.62 0.00 -1.11 0.00 0.00 175.55 175.35 2vaa s ALA 79 N -2.15 -1.19 -0.10 3.71 0.00 -0.54 -1.47 121.76 120.02 2vaa s ALA 79 Ca 0.12 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.98 2vaa s ALA 79 Cb -0.05 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.96 2vaa s ALA 79 CO 0.04 -0.90 -0.10 0.00 0.00 0.00 0.00 175.76 174.81 2vaa s ARG 81 N 1.29 3.69 -0.07 0.00 3.52 0.90 -0.22 118.95 128.06 2vaa s ARG 81 Ca -0.03 -0.51 0.04 0.00 -0.13 0.00 0.00 55.73 55.11 2vaa s ARG 81 Cb -0.14 -2.93 -0.00 0.00 -1.56 0.00 0.00 34.95 30.32 2vaa s ARG 81 CO -0.04 0.24 -0.21 0.08 -0.81 0.00 0.00 175.30 174.57 2vaa s VAL 82 N 0.36 1.79 -0.16 7.11 1.01 0.91 -0.83 120.40 130.59 2vaa s VAL 82 Ca -0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 2vaa s VAL 82 Cb -0.14 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2vaa s VAL 82 CO 0.03 0.50 -0.12 -0.54 0.00 0.00 0.00 175.10 174.97 2vaa s LYS 83 N 0.22 3.32 -0.21 2.72 1.02 -0.19 -0.93 119.74 125.69 2vaa s LYS 83 Ca -0.12 -0.70 -0.15 0.00 0.02 0.00 0.00 55.97 55.02 2vaa s LYS 83 Cb -0.15 -2.69 0.06 0.00 -0.52 0.00 0.00 37.83 34.52 2vaa s LYS 83 CO 0.06 0.07 0.52 -1.58 -0.92 0.00 0.00 175.35 173.49 2vaa s HIS 84 N 0.73 -0.69 0.59 3.18 2.46 -1.26 -1.64 115.29 118.66 2vaa s HIS 84 Ca -0.06 1.52 0.30 0.00 0.47 0.00 0.00 55.06 57.29 2vaa s HIS 84 Cb -0.15 0.31 1.25 0.00 -0.13 0.00 0.00 32.58 33.85 2vaa s HIS 84 CO 0.02 -0.35 1.60 -0.44 -2.47 0.00 0.00 174.74 173.09 2vaa h ASP 85 N 6.23 0.00 0.12 9.88 5.19 -1.96 0.38 116.42 136.25 2vaa h ASP 85 Ca -0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.10 2vaa h ASP 85 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2vaa h ASP 85 CO 0.21 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.79 2vaa n SER 86 N -3.53 0.00 -4.07 6.45 3.41 -1.26 -4.66 113.62 109.96 2vaa n SER 86 Ca 0.18 -0.41 -0.21 0.00 -0.26 0.00 0.00 58.87 58.18 2vaa n SER 86 Cb 1.18 -0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.89 2vaa n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2vaa s MET 87 N -2.19 0.95 -0.04 4.33 -1.94 0.13 -4.90 119.30 115.64 2vaa s MET 87 Ca 0.26 -0.44 -0.19 0.00 -1.71 0.00 0.00 55.69 53.61 2vaa s MET 87 Cb 0.13 -0.92 -0.32 0.00 2.01 0.00 0.00 34.83 35.74 2vaa s MET 87 CO 0.25 0.25 0.85 0.00 -0.01 0.00 0.00 175.02 176.36 2vaa h ALA 88 N 5.80 -0.05 -3.39 3.03 0.00 -1.83 -3.43 119.26 119.39 2vaa h ALA 88 Ca -0.33 -0.82 -0.68 0.00 0.00 0.00 0.00 54.91 53.08 2vaa h ALA 88 Cb 1.17 0.20 -0.16 0.00 0.00 0.00 0.00 17.79 19.00 2vaa h ALA 88 CO 0.49 0.56 -0.64 -1.21 0.00 0.00 0.00 179.25 178.45 2vaa s GLU 89 N -2.48 2.97 0.61 0.00 0.41 -1.26 -5.09 118.70 113.85 2vaa s GLU 89 Ca -0.14 -0.44 -0.19 0.00 -0.41 0.00 0.00 54.97 53.80 2vaa s GLU 89 Cb 0.02 -2.76 -0.03 0.00 -1.78 0.00 0.00 34.13 29.58 2vaa s GLU 89 CO 0.85 0.68 1.24 -2.14 -0.49 0.00 0.00 175.26 175.40 2vaa s PRO 90 N -0.81 2.85 -0.17 0.39 0.02 -1.26 -4.94 135.00 131.07 2vaa s PRO 90 Ca 0.12 1.93 -0.05 0.00 0.02 0.00 0.00 61.00 63.03 2vaa s PRO 90 Cb -0.11 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 2vaa s PRO 90 CO 0.02 -1.33 -0.01 0.21 -0.33 0.00 0.00 177.00 175.56 2vaa s LYS 91 N -3.32 3.70 -0.20 5.54 2.20 -0.10 -4.92 119.74 122.65 2vaa s LYS 91 Ca 0.79 -0.49 -0.04 0.00 -0.36 0.00 0.00 55.97 55.86 2vaa s LYS 91 Cb -0.33 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2vaa s LYS 91 CO 0.36 0.19 -0.02 0.99 -0.36 0.00 0.00 175.35 176.50 2vaa s THR 92 N 0.53 3.68 -0.18 3.43 2.01 -1.26 -0.06 115.64 123.79 2vaa s THR 92 Ca -0.02 -0.40 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 2vaa s THR 92 Cb -0.14 -2.66 -0.00 0.00 0.01 0.00 0.00 72.50 69.71 2vaa s THR 92 CO 0.02 0.43 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 2vaa s VAL 93 N 1.13 2.96 0.24 3.82 1.01 0.69 -4.93 120.40 125.32 2vaa s VAL 93 Ca 0.02 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.18 2vaa s VAL 93 Cb -0.15 -2.29 -0.08 0.00 0.00 0.00 0.00 36.38 33.87 2vaa s VAL 93 CO 0.00 0.49 0.69 -0.31 0.00 0.00 0.00 175.10 175.97 2vaa s TYR 94 N 1.00 3.55 -0.28 5.22 1.51 -1.26 -0.55 117.35 126.54 2vaa s TYR 94 Ca -0.01 1.26 -0.29 0.00 -1.01 0.00 0.00 57.07 57.01 2vaa s TYR 94 Cb -0.15 -2.53 -0.00 0.00 -0.11 0.00 0.00 41.96 39.17 2vaa s TYR 94 CO -0.02 0.28 1.35 -0.46 -1.11 0.00 0.00 175.55 175.59 2vaa s TRP 95 N -1.66 2.61 -0.66 2.71 -0.00 -0.54 -4.87 118.94 116.53 2vaa s TRP 95 Ca 0.46 0.83 -0.17 0.00 -0.00 0.00 0.00 56.10 57.21 2vaa s TRP 95 Cb -0.14 -3.89 0.14 0.00 -0.00 0.00 0.00 33.47 29.58 2vaa s TRP 95 CO 0.20 -1.90 0.71 0.34 -0.00 0.00 0.00 176.95 176.30 2vaa s ASP 96 N 2.94 6.34 0.00 5.86 2.15 -1.26 -4.78 116.67 127.93 2vaa s ASP 96 Ca 0.58 -1.83 0.18 0.00 0.43 0.00 0.00 52.55 51.91 2vaa s ASP 96 Cb -0.18 -2.27 0.94 0.00 -0.30 0.00 0.00 42.92 41.11 2vaa s ASP 96 CO 0.23 -0.94 1.52 -2.11 -0.17 0.00 0.00 175.17 173.71 2vaa n ARG 97 N 5.61 0.32 -2.04 4.34 1.85 -1.26 -3.01 116.66 122.48 2vaa n ARG 97 Ca -0.03 0.09 -0.29 0.00 -1.00 0.00 0.00 57.85 56.62 2vaa n ARG 97 Cb 0.43 -1.50 0.03 0.00 -1.05 0.00 0.00 32.46 30.37 2vaa n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2vaa n ASP 98 N -1.22 5.75 -0.79 2.89 8.00 -1.26 -4.89 116.55 125.03 2vaa n ASP 98 Ca 0.10 -3.76 0.10 0.00 0.71 0.00 0.00 54.79 51.93 2vaa n ASP 98 Cb 0.12 -0.61 0.08 0.00 -0.02 0.00 0.00 41.12 40.70 2vaa n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61