#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlj s ILE 1 N 0.00 -0.59 0.39 1.12 -1.16 -1.26 -5.17 121.20 114.54 2vlj s ILE 1 Ca 0.00 0.13 -0.02 0.00 -0.51 0.00 0.00 60.65 60.25 2vlj s ILE 1 Cb 0.00 -0.65 -0.04 0.00 0.61 0.00 0.00 42.46 42.38 2vlj s ILE 1 CO 0.00 0.03 0.64 -1.10 -2.81 0.00 0.00 174.94 171.70 2vlj s GLN 2 N 2.55 3.52 -0.03 3.50 -0.21 -1.26 -4.87 119.66 122.86 2vlj s GLN 2 Ca 0.02 -0.11 -0.02 0.00 0.02 0.00 0.00 55.36 55.27 2vlj s GLN 2 Cb -0.13 -2.55 0.02 0.00 1.00 0.00 0.00 33.01 31.35 2vlj s GLN 2 CO -0.13 0.02 0.08 1.03 -2.12 0.00 0.00 175.29 174.17 2vlj s ARG 3 N -4.43 0.04 0.25 2.91 0.52 -0.50 -4.89 118.95 112.85 2vlj s ARG 3 Ca 0.43 0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 55.55 2vlj s ARG 3 Cb -0.10 -0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.15 2vlj s ARG 3 CO 0.39 -0.11 1.10 0.99 0.02 0.00 0.00 175.30 177.69 2vlj s THR 4 N 0.74 3.60 0.52 0.02 2.01 -1.26 -1.01 115.64 120.27 2vlj s THR 4 Ca -0.06 1.54 -0.23 0.00 0.31 0.00 0.00 61.69 63.25 2vlj s THR 4 Cb -0.08 -3.98 -0.06 0.00 0.01 0.00 0.00 72.50 68.39 2vlj s THR 4 CO -0.03 0.33 1.35 -0.81 -0.69 0.00 0.00 174.62 174.77 2vlj n PRO 5 N 1.58 1.79 -3.69 4.92 -0.04 -1.26 -4.42 135.00 133.87 2vlj n PRO 5 Ca 0.00 0.65 -0.37 0.00 -0.04 0.00 0.00 63.50 63.75 2vlj n PRO 5 Cb 0.45 -2.55 -0.07 0.00 -0.04 0.00 0.00 33.50 31.29 2vlj n PRO 5 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2vlj s LYS 6 N -2.74 3.91 -0.11 0.54 1.02 0.36 -4.93 119.74 117.80 2vlj s LYS 6 Ca 0.69 -0.01 0.02 0.00 0.02 0.00 0.00 55.97 56.69 2vlj s LYS 6 Cb -0.43 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 2vlj s LYS 6 CO 0.51 0.51 -0.18 0.42 -0.92 0.00 0.00 175.35 175.69 2vlj s ILE 7 N -0.31 2.58 -0.06 2.17 1.09 -1.26 -2.00 121.20 123.41 2vlj s ILE 7 Ca 0.15 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 58.86 2vlj s ILE 7 Cb -0.13 -2.03 0.02 0.00 -1.06 0.00 0.00 42.46 39.26 2vlj s ILE 7 CO 0.04 0.55 -0.04 -1.10 -0.10 0.00 0.00 174.94 174.28 2vlj s GLN 8 N 0.24 0.89 -0.26 2.79 -0.21 -0.50 -4.99 119.66 117.61 2vlj s GLN 8 Ca -0.12 -0.09 -0.04 0.00 0.02 0.00 0.00 55.36 55.14 2vlj s GLN 8 Cb -0.16 -0.96 0.02 0.00 1.00 0.00 0.00 33.01 32.90 2vlj s GLN 8 CO 0.07 -0.14 -0.01 0.08 -2.12 0.00 0.00 175.29 173.17 2vlj s VAL 9 N 1.21 3.29 0.20 1.09 1.01 -1.26 -0.08 120.40 125.85 2vlj s VAL 9 Ca -0.06 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 2vlj s VAL 9 Cb -0.14 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 2vlj s VAL 9 CO -0.02 0.16 0.35 -0.72 0.00 0.00 0.00 175.10 174.88 2vlj s TYR 10 N 1.39 0.43 0.34 5.22 1.13 -0.85 -4.58 117.35 120.43 2vlj s TYR 10 Ca 0.01 -0.78 0.01 0.00 -1.41 0.00 0.00 57.07 54.90 2vlj s TYR 10 Cb -0.17 0.01 -0.03 0.00 -1.10 0.00 0.00 41.96 40.67 2vlj s TYR 10 CO -0.02 -0.82 0.53 -1.54 -2.51 0.00 0.00 175.55 171.19 2vlj s SER 11 N -3.00 6.30 0.05 -0.18 1.04 -1.26 -0.55 113.70 116.10 2vlj s SER 11 Ca 0.21 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.89 2vlj s SER 11 Cb 0.02 -2.01 -0.25 0.00 0.10 0.00 0.00 66.02 63.87 2vlj s SER 11 CO 0.04 -0.27 1.13 -0.09 0.98 0.00 0.00 173.24 175.03 2vlj h ARG 12 N 0.80 0.59 -6.41 4.02 2.43 -1.71 -3.45 114.38 110.65 2vlj h ARG 12 Ca -0.50 -0.70 -0.63 0.00 -0.81 0.00 0.00 59.98 57.34 2vlj h ARG 12 Cb 1.22 0.21 -0.16 0.00 -0.42 0.00 0.00 29.97 30.82 2vlj h ARG 12 CO 0.61 1.29 -0.78 -1.01 -1.51 0.00 0.00 179.97 178.57 2vlj s HIS 13 N -3.15 2.33 -0.43 2.20 3.76 -1.26 -5.04 115.29 113.70 2vlj s HIS 13 Ca -0.11 -0.33 -0.46 0.00 -0.15 0.00 0.00 55.06 54.01 2vlj s HIS 13 Cb 0.05 -1.08 -0.20 0.00 1.11 0.00 0.00 32.58 32.46 2vlj s HIS 13 CO 0.90 0.60 1.55 -2.30 -0.85 0.00 0.00 174.74 174.65 2vlj n PRO 14 N -0.19 0.08 -2.38 8.40 -0.01 -1.26 -4.86 135.00 134.78 2vlj n PRO 14 Ca -0.09 0.03 -0.41 0.00 -0.01 0.00 0.00 63.50 63.02 2vlj n PRO 14 Cb 0.58 -1.54 -0.03 0.00 -0.01 0.00 0.00 33.50 32.50 2vlj n PRO 14 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 2vlj s ALA 15 N 2.72 3.43 -0.17 3.55 0.00 -1.26 -5.01 121.76 125.02 2vlj s ALA 15 Ca 1.03 0.92 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2vlj s ALA 15 Cb -1.45 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 18.28 2vlj s ALA 15 CO 0.78 -0.40 -0.09 -2.00 0.00 0.00 0.00 175.76 174.06 2vlj s GLU 16 N 0.25 1.81 -0.41 0.00 2.12 -1.26 -5.10 118.70 116.10 2vlj s GLU 16 Ca 0.55 -0.62 -0.44 0.00 0.36 0.00 0.00 54.97 54.83 2vlj s GLU 16 Cb -0.32 -2.13 -0.18 0.00 0.26 0.00 0.00 34.13 31.76 2vlj s GLU 16 CO 0.34 -0.38 1.68 0.09 -0.54 0.00 0.00 175.26 176.44 2vlj n ASN 17 N 4.79 1.73 0.00 -1.70 3.02 -1.26 -0.57 115.26 121.26 2vlj n ASN 17 Ca -0.14 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 2vlj n ASN 17 Cb 0.48 -0.99 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 2vlj n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vlj n GLY 18 N 4.15 0.63 3.84 7.41 0.00 -0.51 -5.00 105.19 115.70 2vlj n GLY 18 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.95 2vlj n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vlj s LYS 19 N -0.79 3.60 0.63 1.61 2.20 0.26 -5.00 119.74 122.24 2vlj s LYS 19 Ca 0.00 -0.16 -0.17 0.00 -0.36 0.00 0.00 55.97 55.29 2vlj s LYS 19 Cb 0.00 -3.23 -0.02 0.00 -1.51 0.00 0.00 37.83 33.07 2vlj s LYS 19 CO 0.00 0.67 1.15 0.45 -0.36 0.00 0.00 175.35 177.26 2vlj s SER 20 N -0.72 5.14 0.35 1.43 0.15 -1.26 -4.20 113.70 114.58 2vlj s SER 20 Ca 0.13 2.17 -0.17 0.00 0.70 0.00 0.00 55.95 58.79 2vlj s SER 20 Cb -0.12 -2.57 0.06 0.00 -1.71 0.00 0.00 66.02 61.67 2vlj s SER 20 CO 0.03 -1.62 0.82 0.21 1.20 0.00 0.00 173.24 173.88 2vlj s ASN 21 N -2.10 -0.02 0.04 5.45 3.84 -0.35 -4.98 114.94 116.82 2vlj s ASN 21 Ca 0.72 -1.04 0.09 0.00 0.21 0.00 0.00 52.86 52.84 2vlj s ASN 21 Cb -0.24 0.79 -0.03 0.00 -0.55 0.00 0.00 41.25 41.22 2vlj s ASN 21 CO 0.37 -1.57 -0.26 -0.36 -2.79 0.00 0.00 177.10 172.49 2vlj s PHE 22 N -2.41 2.29 -0.21 0.43 0.40 -1.26 -1.77 117.98 115.45 2vlj s PHE 22 Ca 0.16 -0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2vlj s PHE 22 Cb -0.05 -1.38 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 2vlj s PHE 22 CO 0.10 0.11 0.00 -1.17 0.70 0.00 0.00 175.22 174.97 2vlj s LEU 23 N -1.19 3.23 -0.06 -0.37 2.96 0.48 -1.63 118.68 122.11 2vlj s LEU 23 Ca 0.11 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 2vlj s LEU 23 Cb -0.10 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 2vlj s LEU 23 CO 0.02 0.04 -0.14 0.20 -1.32 0.00 0.00 176.35 175.15 2vlj s ASN 24 N 1.13 4.05 -0.23 3.68 0.01 0.29 -1.64 114.94 122.24 2vlj s ASN 24 Ca 0.03 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 2vlj s ASN 24 Cb -0.14 -0.92 0.03 0.00 0.41 0.00 0.00 41.25 40.63 2vlj s ASN 24 CO 0.01 0.33 -0.12 0.00 -1.51 0.00 0.00 177.10 175.82 2vlj s TYR 26 N 1.25 3.22 -0.10 0.00 5.04 0.88 -0.61 117.35 127.04 2vlj s TYR 26 Ca -0.01 0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.73 2vlj s TYR 26 Cb -0.16 -2.45 -0.01 0.00 0.35 0.00 0.00 41.96 39.69 2vlj s TYR 26 CO -0.07 -0.23 -0.17 0.14 -1.34 0.00 0.00 175.55 173.87 2vlj s VAL 27 N 1.82 2.68 0.09 3.14 -7.23 -0.64 -1.41 120.40 118.86 2vlj s VAL 27 Ca 0.08 -0.81 -0.12 0.00 -1.81 0.00 0.00 61.98 59.33 2vlj s VAL 27 Cb -0.16 -2.08 0.01 0.00 0.56 0.00 0.00 36.38 34.71 2vlj s VAL 27 CO 0.11 0.55 0.28 -0.94 -0.31 0.00 0.00 175.10 174.78 2vlj s SER 28 N 0.16 -0.03 0.00 4.85 1.04 -0.85 -0.32 113.70 118.55 2vlj s SER 28 Ca -0.10 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2vlj s SER 28 Cb -0.16 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2vlj s SER 28 CO 0.06 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.13 2vlj n GLY 29 N -0.03 0.58 3.57 7.32 0.00 0.66 -0.49 105.19 116.80 2vlj n GLY 29 Ca -0.16 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2vlj n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vlj s PHE 30 N -2.00 2.82 -0.17 1.61 -0.71 -1.25 -4.32 117.98 113.96 2vlj s PHE 30 Ca 0.00 -0.09 -0.11 0.00 -1.04 0.00 0.00 56.93 55.69 2vlj s PHE 30 Cb 0.00 -1.57 0.05 0.00 -1.21 0.00 0.00 43.02 40.30 2vlj s PHE 30 CO 0.00 0.35 0.42 -1.58 -1.34 0.00 0.00 175.22 173.08 2vlj s HIS 31 N -1.00 -0.58 0.00 3.49 2.46 -0.18 -3.40 115.29 116.08 2vlj s HIS 31 Ca 0.17 1.27 0.00 0.00 0.47 0.00 0.00 55.06 56.97 2vlj s HIS 31 Cb -0.11 0.25 0.00 0.00 -0.13 0.00 0.00 32.58 32.59 2vlj s HIS 31 CO 0.08 -0.32 0.00 -0.35 -2.47 0.00 0.00 174.74 171.68 2vlj n PRO 32 N 3.90 -0.51 0.15 2.88 -0.04 -1.26 -1.41 135.00 138.71 2vlj n PRO 32 Ca -0.21 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.28 2vlj n PRO 32 Cb 0.56 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.10 2vlj n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2vlj h SER 33 N -0.57 0.00 -2.63 3.54 4.64 -2.00 -3.45 113.55 113.08 2vlj h SER 33 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2vlj h SER 33 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2vlj h SER 33 CO 0.00 0.48 1.06 -1.81 -0.87 0.00 0.00 176.83 175.69 2vlj s ASP 34 N -6.44 6.65 0.02 4.97 1.11 -1.26 -4.99 116.67 116.72 2vlj s ASP 34 Ca 0.03 2.32 -0.11 0.00 0.18 0.00 0.00 52.55 54.97 2vlj s ASP 34 Cb 0.08 -2.54 0.01 0.00 1.07 0.00 0.00 42.92 41.54 2vlj s ASP 34 CO 0.73 -0.91 0.24 -0.51 1.18 0.00 0.00 175.17 175.90 2vlj s ILE 35 N 3.63 0.08 -0.10 0.77 2.07 -1.26 -4.61 121.20 121.78 2vlj s ILE 35 Ca 0.74 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 59.31 2vlj s ILE 35 Cb -0.35 -0.74 0.01 0.00 0.13 0.00 0.00 42.46 41.50 2vlj s ILE 35 CO 0.31 -0.38 -0.16 -1.61 -1.91 0.00 0.00 174.94 171.19 2vlj s GLU 36 N -1.99 2.23 -0.13 3.50 2.02 -0.71 -5.03 118.70 118.61 2vlj s GLU 36 Ca -0.09 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 54.29 2vlj s GLU 36 Cb -0.03 -1.84 0.05 0.00 0.10 0.00 0.00 34.13 32.40 2vlj s GLU 36 CO -0.00 -0.00 0.04 0.08 0.02 0.00 0.00 175.26 175.40 2vlj s VAL 37 N 0.81 0.21 0.15 2.63 1.01 -1.26 -0.34 120.40 123.60 2vlj s VAL 37 Ca -0.10 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.83 2vlj s VAL 37 Cb -0.16 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 2vlj s VAL 37 CO 0.01 -0.03 0.17 -1.81 0.00 0.00 0.00 175.10 173.45 2vlj s ASP 38 N 2.02 5.78 -0.12 3.32 1.01 0.11 -4.98 116.67 123.82 2vlj s ASP 38 Ca 0.03 -0.02 -0.00 0.00 0.71 0.00 0.00 52.55 53.27 2vlj s ASP 38 Cb -0.15 -1.60 -0.02 0.00 1.01 0.00 0.00 42.92 42.17 2vlj s ASP 38 CO -0.07 0.08 -0.11 -0.76 0.21 0.00 0.00 175.17 174.53 2vlj s LEU 39 N -3.04 2.88 0.00 1.23 1.43 -1.26 -0.26 118.68 119.66 2vlj s LEU 39 Ca 0.32 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2vlj s LEU 39 Cb -0.11 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 2vlj s LEU 39 CO 0.25 0.21 -0.03 -0.76 0.23 0.00 0.00 176.35 176.25 2vlj s LEU 40 N 0.06 3.35 -0.11 1.79 1.43 -0.53 -1.37 118.68 123.30 2vlj s LEU 40 Ca -0.04 -0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.00 2vlj s LEU 40 Cb -0.14 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 2vlj s LEU 40 CO 0.04 0.28 -0.18 -0.75 0.23 0.00 0.00 176.35 175.96 2vlj s LYS 41 N -1.51 3.18 0.00 1.70 2.20 -0.90 -2.63 119.74 121.78 2vlj s LYS 41 Ca 0.18 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 2vlj s LYS 41 Cb -0.11 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.75 2vlj s LYS 41 CO 0.09 0.22 0.00 0.09 -0.36 0.00 0.00 175.35 175.39 2vlj n ASN 42 N 3.46 -0.15 0.00 1.43 3.02 -0.89 -1.90 115.26 120.24 2vlj n ASN 42 Ca -0.18 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2vlj n ASN 42 Cb 0.53 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 2vlj n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vlj n GLY 43 N -0.07 0.72 3.49 7.41 0.00 -1.26 -5.05 105.19 110.42 2vlj n GLY 43 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2vlj n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vlj s GLU 44 N -0.72 1.74 0.10 1.61 8.01 -0.80 -5.01 118.70 123.63 2vlj s GLU 44 Ca 0.00 -1.71 -0.36 0.00 0.01 0.00 0.00 54.97 52.90 2vlj s GLU 44 Cb 0.00 -1.82 -0.17 0.00 -4.31 0.00 0.00 34.13 27.84 2vlj s GLU 44 CO 0.00 0.34 1.32 0.54 0.01 0.00 0.00 175.26 177.47 2vlj n ARG 45 N -0.59 1.17 -3.06 1.61 1.74 -1.26 -2.12 116.66 114.15 2vlj n ARG 45 Ca -0.06 0.42 -0.40 0.00 -0.77 0.00 0.00 57.85 57.05 2vlj n ARG 45 Cb 0.60 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.46 29.94 2vlj n ARG 45 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2vlj s ILE 46 N 0.40 4.90 -0.09 0.55 1.01 -0.47 -4.82 121.20 122.70 2vlj s ILE 46 Ca 0.83 1.47 -0.11 0.00 0.00 0.00 0.00 60.65 62.83 2vlj s ILE 46 Cb -0.94 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 37.41 2vlj s ILE 46 CO 0.47 0.33 0.39 -0.33 0.00 0.00 0.00 174.94 175.80 2vlj h GLU 47 N 6.12 -0.13 -4.19 2.79 5.08 -1.94 -3.41 114.58 118.90 2vlj h GLU 47 Ca -0.43 0.01 -0.69 0.00 -1.00 0.00 0.00 59.36 57.25 2vlj h GLU 47 Cb 1.20 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2vlj h GLU 47 CO 0.72 0.15 2.87 1.17 -1.00 0.00 0.00 179.01 182.92 2vlj n LYS 48 N -4.84 2.48 -4.78 2.33 3.00 -1.26 -4.90 118.16 110.20 2vlj n LYS 48 Ca -0.04 -2.41 -0.33 0.00 -0.00 0.00 0.00 58.31 55.53 2vlj n LYS 48 Cb 0.16 -3.20 -0.14 0.00 0.00 0.00 0.00 35.03 31.86 2vlj n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2vlj s VAL 49 N 3.79 3.13 0.39 3.15 1.01 -1.26 -4.68 120.40 125.93 2vlj s VAL 49 Ca 0.50 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.91 2vlj s VAL 49 Cb 0.14 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 2vlj s VAL 49 CO -0.03 0.54 0.14 -1.61 0.00 0.00 0.00 175.10 174.14 2vlj s GLU 50 N 0.07 2.21 0.10 2.72 2.02 -0.86 -4.96 118.70 120.00 2vlj s GLU 50 Ca -0.05 -1.80 -0.08 0.00 0.02 0.00 0.00 54.97 53.06 2vlj s GLU 50 Cb -0.14 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.10 2vlj s GLU 50 CO 0.04 -0.04 0.19 -3.38 0.02 0.00 0.00 175.26 172.09 2vlj s HIS 51 N -2.57 0.26 0.79 1.61 -3.43 -1.26 -1.38 115.29 109.31 2vlj s HIS 51 Ca 0.39 -0.68 -0.12 0.00 -0.80 0.00 0.00 55.06 53.86 2vlj s HIS 51 Cb 0.03 -0.09 0.07 0.00 -1.43 0.00 0.00 32.58 31.15 2vlj s HIS 51 CO 0.22 -0.57 1.11 -1.54 -2.00 0.00 0.00 174.74 171.96 2vlj s SER 52 N -2.90 4.62 0.16 7.38 1.04 -0.71 -5.00 113.70 118.30 2vlj s SER 52 Ca 0.09 1.13 -0.30 0.00 0.48 0.00 0.00 55.95 57.34 2vlj s SER 52 Cb 0.05 -1.82 -0.07 0.00 0.10 0.00 0.00 66.02 64.27 2vlj s SER 52 CO -0.08 -1.87 1.15 -1.81 0.98 0.00 0.00 173.24 171.61 2vlj s ASP 53 N -4.15 7.17 -0.19 7.02 1.01 -1.26 -4.79 116.67 121.48 2vlj s ASP 53 Ca 0.61 2.13 -0.36 0.00 0.71 0.00 0.00 52.55 55.64 2vlj s ASP 53 Cb -0.13 -2.60 -0.13 0.00 1.01 0.00 0.00 42.92 41.07 2vlj s ASP 53 CO 0.53 -0.31 1.90 -0.11 0.21 0.00 0.00 175.17 177.39 2vlj n LEU 54 N 2.63 2.96 0.00 1.23 7.94 -1.26 -4.95 117.00 125.55 2vlj n LEU 54 Ca 0.04 0.90 -0.16 0.00 -1.11 0.00 0.00 56.01 55.68 2vlj n LEU 54 Cb 0.46 -1.29 -0.05 0.00 0.53 0.00 0.00 43.42 43.06 2vlj n LEU 54 CO 0.55 -0.27 -0.10 -0.24 -1.11 0.00 0.00 177.39 176.22 2vlj n SER 55 N 6.93 0.72 -3.62 1.96 2.88 -1.24 -5.06 113.62 116.18 2vlj n SER 55 Ca 0.27 -2.45 -0.14 0.00 -1.33 0.00 0.00 58.87 55.21 2vlj n SER 55 Cb 0.24 0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 64.44 2vlj n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2vlj s PHE 56 N -2.66 -0.38 0.84 0.66 -0.12 -1.26 -2.26 117.98 112.81 2vlj s PHE 56 Ca 0.17 0.46 -0.10 0.00 -0.05 0.00 0.00 56.93 57.41 2vlj s PHE 56 Cb 0.01 0.28 0.18 0.00 -0.63 0.00 0.00 43.02 42.86 2vlj s PHE 56 CO 0.12 -0.58 1.14 0.43 -0.05 0.00 0.00 175.22 176.28 2vlj n SER 57 N 0.63 0.54 -1.27 1.98 7.64 -0.52 -4.88 113.62 117.74 2vlj n SER 57 Ca -0.19 -1.69 -0.08 0.00 1.01 0.00 0.00 58.87 57.92 2vlj n SER 57 Cb 0.59 -0.83 0.15 0.00 -1.01 0.00 0.00 64.21 63.11 2vlj n SER 57 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2vlj n LYS 58 N -3.32 2.23 0.00 1.43 2.85 -1.26 0.67 118.16 120.76 2vlj n LYS 58 Ca 0.16 -3.47 0.00 0.00 -1.05 0.00 0.00 58.31 53.94 2vlj n LYS 58 Cb 0.55 -1.89 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 2vlj n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2vlj n ASP 59 N -1.01 0.00 0.00 -5.58 -0.08 -1.26 -5.08 116.55 103.54 2vlj n ASP 59 Ca 0.33 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.61 2vlj n ASP 59 Cb 0.89 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.35 2vlj n ASP 59 CO 0.00 0.00 0.00 0.79 0.12 0.00 0.00 177.20 178.11 2vlj n TRP 60 N 0.00 0.00 -2.82 -0.67 5.03 0.21 -5.02 117.44 114.17 2vlj n TRP 60 Ca 0.00 0.00 -0.31 0.00 3.03 0.00 0.00 57.50 60.22 2vlj n TRP 60 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 31.31 30.25 2vlj n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 2vlj s SER 61 N -2.71 6.55 0.29 -0.99 1.04 -1.26 -4.75 113.70 111.87 2vlj s SER 61 Ca 0.00 1.19 -0.04 0.00 0.48 0.00 0.00 55.95 57.58 2vlj s SER 61 Cb 0.00 -2.35 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 2vlj s SER 61 CO 0.00 -0.41 0.54 -0.36 0.98 0.00 0.00 173.24 173.99 2vlj s PHE 62 N -2.38 3.48 0.05 5.02 0.08 -1.22 -1.44 117.98 121.58 2vlj s PHE 62 Ca 0.52 0.60 0.02 0.00 0.12 0.00 0.00 56.93 58.19 2vlj s PHE 62 Cb -0.10 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.25 2vlj s PHE 62 CO 0.30 0.18 -0.07 1.52 -0.10 0.00 0.00 175.22 177.06 2vlj s TYR 63 N -2.09 0.66 -0.04 0.36 -0.85 -0.96 -0.25 117.35 114.19 2vlj s TYR 63 Ca 0.43 -0.58 -0.09 0.00 -0.52 0.00 0.00 57.07 56.30 2vlj s TYR 63 Cb -0.11 -0.40 0.02 0.00 0.38 0.00 0.00 41.96 41.85 2vlj s TYR 63 CO 0.30 -0.11 0.22 -0.51 -1.52 0.00 0.00 175.55 173.93 2vlj s LEU 64 N -1.84 1.19 -0.17 -3.49 1.43 0.56 -3.72 118.68 112.64 2vlj s LEU 64 Ca -0.07 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2vlj s LEU 64 Cb -0.07 0.87 -0.02 0.00 0.03 0.00 0.00 46.19 47.00 2vlj s LEU 64 CO -0.01 -0.26 -0.07 -0.22 0.23 0.00 0.00 176.35 176.03 2vlj s LEU 65 N -0.69 2.96 -0.10 1.79 2.96 -1.26 -1.62 118.68 122.71 2vlj s LEU 65 Ca -0.08 -0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 53.52 2vlj s LEU 65 Cb -0.04 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 2vlj s LEU 65 CO 0.02 0.09 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.81 2vlj s TYR 66 N 0.82 3.10 -0.05 5.38 1.51 0.22 -1.75 117.35 126.58 2vlj s TYR 66 Ca -0.02 0.06 -0.08 0.00 -1.01 0.00 0.00 57.07 56.01 2vlj s TYR 66 Cb -0.15 -1.83 0.02 0.00 -0.11 0.00 0.00 41.96 39.89 2vlj s TYR 66 CO 0.01 0.32 0.20 1.52 -1.11 0.00 0.00 175.55 176.50 2vlj s TYR 67 N -0.54 -0.15 0.03 2.71 -0.85 -0.48 -0.36 117.35 117.71 2vlj s TYR 67 Ca 0.09 0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 56.96 2vlj s TYR 67 Cb -0.12 0.04 -0.02 0.00 0.38 0.00 0.00 41.96 42.24 2vlj s TYR 67 CO 0.02 -0.20 -0.00 -0.08 -1.52 0.00 0.00 175.55 173.77 2vlj s THR 68 N -0.50 0.14 0.05 -3.49 -1.32 -0.65 -2.02 115.64 107.85 2vlj s THR 68 Ca -0.06 -1.16 -0.23 0.00 -1.21 0.00 0.00 61.69 59.03 2vlj s THR 68 Cb -0.04 -0.69 -0.06 0.00 -1.51 0.00 0.00 72.50 70.21 2vlj s THR 68 CO 0.01 -0.64 0.70 -0.70 -2.21 0.00 0.00 174.62 171.79 2vlj s GLU 69 N -2.26 4.43 -0.00 7.08 2.12 -1.26 -0.38 118.70 128.42 2vlj s GLU 69 Ca -0.08 0.96 -0.14 0.00 0.36 0.00 0.00 54.97 56.06 2vlj s GLU 69 Cb -0.04 -3.34 0.02 0.00 0.26 0.00 0.00 34.13 31.04 2vlj s GLU 69 CO -0.04 0.37 0.30 -0.59 -0.54 0.00 0.00 175.26 174.76 2vlj s PHE 70 N -0.30 -0.15 -0.30 5.30 -0.71 -0.73 -4.92 117.98 116.17 2vlj s PHE 70 Ca 0.35 0.19 -0.02 0.00 -1.04 0.00 0.00 56.93 56.41 2vlj s PHE 70 Cb -0.20 0.08 0.05 0.00 -1.21 0.00 0.00 43.02 41.74 2vlj s PHE 70 CO 0.21 -0.40 -0.00 0.99 -1.34 0.00 0.00 175.22 174.68 2vlj s THR 71 N -1.53 2.99 0.42 -4.49 2.01 -1.26 -1.21 115.64 112.56 2vlj s THR 71 Ca -0.12 -1.37 -0.27 0.00 0.31 0.00 0.00 61.69 60.24 2vlj s THR 71 Cb -0.05 -2.71 -0.09 0.00 0.01 0.00 0.00 72.50 69.66 2vlj s THR 71 CO 0.03 -0.10 1.46 -2.16 -0.69 0.00 0.00 174.62 173.16 2vlj s PRO 72 N 1.26 3.88 0.33 4.92 0.04 -1.26 -4.81 135.00 139.36 2vlj s PRO 72 Ca -0.05 2.49 0.10 0.00 0.04 0.00 0.00 61.00 63.58 2vlj s PRO 72 Cb -0.20 -2.80 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 2vlj s PRO 72 CO -0.01 -0.69 -0.09 0.95 0.04 0.00 0.00 177.00 177.21 2vlj s THR 73 N -1.16 2.36 0.27 1.26 -4.23 -1.26 -1.43 115.64 111.45 2vlj s THR 73 Ca 0.57 -2.18 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 2vlj s THR 73 Cb -0.45 -2.64 0.28 0.00 1.34 0.00 0.00 72.50 71.03 2vlj s THR 73 CO 0.60 -0.23 1.88 -0.08 -0.54 0.00 0.00 174.62 176.25 2vlj h GLU 74 N 2.01 1.10 0.05 3.99 4.81 -1.96 -3.27 114.58 121.30 2vlj h GLU 74 Ca -0.42 -0.07 -0.31 0.00 -0.13 0.00 0.00 59.36 58.44 2vlj h GLU 74 Cb 1.25 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 2vlj h GLU 74 CO 0.68 0.73 -1.69 0.87 -0.73 0.00 0.00 179.01 178.87 2vlj h LYS 75 N 1.14 0.10 -6.38 1.92 1.79 -2.02 -3.47 116.57 109.65 2vlj h LYS 75 Ca 0.44 -0.18 -0.53 0.00 -2.18 0.00 0.00 60.65 58.20 2vlj h LYS 75 Cb 0.22 0.07 0.02 0.00 -1.58 0.00 0.00 32.23 30.96 2vlj h LYS 75 CO -0.18 0.80 1.21 -0.51 -1.08 0.00 0.00 179.45 179.69 2vlj s ASP 76 N -6.51 6.45 0.33 0.86 1.01 -1.24 -4.98 116.67 112.59 2vlj s ASP 76 Ca -0.09 2.68 -0.12 0.00 0.71 0.00 0.00 52.55 55.72 2vlj s ASP 76 Cb 0.08 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.39 2vlj s ASP 76 CO 0.82 -1.04 0.71 -1.61 0.21 0.00 0.00 175.17 174.25 2vlj s GLU 77 N 4.19 3.89 0.03 8.23 2.02 -1.26 -4.77 118.70 131.02 2vlj s GLU 77 Ca 0.87 0.52 -0.01 0.00 0.02 0.00 0.00 54.97 56.37 2vlj s GLU 77 Cb -0.43 -2.46 -0.02 0.00 0.10 0.00 0.00 34.13 31.32 2vlj s GLU 77 CO 0.40 0.13 -0.01 0.71 0.02 0.00 0.00 175.26 176.51 2vlj s TYR 78 N -2.07 0.32 0.27 1.61 2.02 -1.26 -2.10 117.35 116.14 2vlj s TYR 78 Ca 0.52 -0.66 -0.16 0.00 -0.37 0.00 0.00 57.07 56.40 2vlj s TYR 78 Cb -0.10 -0.23 0.01 0.00 -0.40 0.00 0.00 41.96 41.23 2vlj s TYR 78 CO 0.22 -0.26 0.59 0.00 -1.57 0.00 0.00 175.55 174.54 2vlj s ALA 79 N -2.21 -0.63 -0.09 3.71 0.00 -1.08 -0.21 121.76 121.24 2vlj s ALA 79 Ca -0.09 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.23 2vlj s ALA 79 Cb -0.04 0.96 -0.01 0.00 0.00 0.00 0.00 23.12 24.02 2vlj s ALA 79 CO -0.04 -0.94 -0.17 0.00 0.00 0.00 0.00 175.76 174.62 2vlj s ARG 81 N 0.01 3.23 -0.01 0.00 3.52 0.64 -1.12 118.95 125.22 2vlj s ARG 81 Ca -0.06 -0.73 0.05 0.00 -0.13 0.00 0.00 55.73 54.87 2vlj s ARG 81 Cb -0.15 -2.70 -0.01 0.00 -1.56 0.00 0.00 34.95 30.53 2vlj s ARG 81 CO 0.05 -0.04 -0.18 0.08 -0.81 0.00 0.00 175.30 174.40 2vlj s VAL 82 N 0.97 1.40 0.04 7.11 1.01 -0.33 0.09 120.40 130.70 2vlj s VAL 82 Ca -0.02 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2vlj s VAL 82 Cb -0.15 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2vlj s VAL 82 CO -0.02 0.39 -0.11 0.21 0.00 0.00 0.00 175.10 175.57 2vlj s ASN 83 N -0.43 1.30 0.04 3.32 3.04 0.54 -0.10 114.94 122.64 2vlj s ASN 83 Ca 0.07 -0.47 -0.23 0.00 0.04 0.00 0.00 52.86 52.26 2vlj s ASN 83 Cb -0.07 -0.05 0.05 0.00 -1.54 0.00 0.00 41.25 39.65 2vlj s ASN 83 CO -0.01 -0.06 0.54 -2.28 -3.04 0.00 0.00 177.10 172.26 2vlj s HIS 84 N -1.01 -0.45 0.60 0.43 2.46 -1.26 -1.74 115.29 114.32 2vlj s HIS 84 Ca -0.03 0.53 0.30 0.00 0.47 0.00 0.00 55.06 56.33 2vlj s HIS 84 Cb -0.08 0.36 1.65 0.00 -0.13 0.00 0.00 32.58 34.39 2vlj s HIS 84 CO 0.01 -0.65 2.04 -0.24 -2.47 0.00 0.00 174.74 173.43 2vlj h VAL 85 N 2.76 0.35 -0.00 0.89 3.04 -1.96 -2.20 116.25 119.14 2vlj h VAL 85 Ca -0.31 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.21 2vlj h VAL 85 Cb 1.21 0.77 -0.02 0.00 -2.01 0.00 0.00 31.29 31.24 2vlj h VAL 85 CO 0.41 0.00 -0.82 0.71 -1.01 0.00 0.00 177.57 176.86 2vlj h THR 86 N 0.00 1.55 -3.45 3.17 1.35 -1.92 -3.42 112.91 110.19 2vlj h THR 86 Ca 0.10 -2.68 -0.60 0.00 -0.55 0.00 0.00 66.41 62.68 2vlj h THR 86 Cb 0.65 2.46 -0.10 0.00 -1.73 0.00 0.00 68.15 69.43 2vlj h THR 86 CO -0.00 0.77 0.07 -0.76 -0.25 0.00 0.00 175.52 175.35 2vlj s LEU 87 N -7.28 4.13 0.00 3.87 1.43 -0.83 -5.03 118.68 114.98 2vlj s LEU 87 Ca -0.01 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2vlj s LEU 87 Cb 0.11 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.51 2vlj s LEU 87 CO 0.80 -0.26 0.00 -1.20 0.23 0.00 0.00 176.35 175.92 2vlj n SER 88 N 5.08 0.00 -0.42 2.29 7.64 -1.26 -4.37 113.62 122.58 2vlj n SER 88 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2vlj n SER 88 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 2vlj n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vlj n GLN 89 N 0.00 0.00 -0.73 1.43 10.64 -1.26 -5.19 117.38 122.27 2vlj n GLN 89 Ca 0.00 0.42 -0.32 0.00 -1.83 0.00 0.00 57.00 55.27 2vlj n GLN 89 Cb 0.00 0.00 0.15 0.00 -0.86 0.00 0.00 30.24 29.53 2vlj n GLN 89 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2vlj n PRO 90 N 0.33 -0.61 -5.01 2.61 -0.02 -1.26 -4.96 135.00 126.08 2vlj n PRO 90 Ca 0.00 -0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.02 2vlj n PRO 90 Cb 0.00 -2.00 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 2vlj n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2vlj s LYS 91 N -3.93 3.11 -0.23 -0.52 2.20 0.86 -4.94 119.74 116.29 2vlj s LYS 91 Ca 0.60 -0.79 -0.08 0.00 -0.36 0.00 0.00 55.97 55.35 2vlj s LYS 91 Cb -0.21 -2.43 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 2vlj s LYS 91 CO 0.65 0.24 0.08 0.42 -0.36 0.00 0.00 175.35 176.38 2vlj s ILE 92 N 0.22 4.53 -0.22 5.43 1.01 -1.26 -1.18 121.20 129.74 2vlj s ILE 92 Ca -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2vlj s ILE 92 Cb -0.16 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2vlj s ILE 92 CO 0.06 0.37 -0.08 -0.69 0.00 0.00 0.00 174.94 174.61 2vlj s VAL 93 N 1.21 3.01 0.64 2.92 1.01 -0.27 -4.97 120.40 123.94 2vlj s VAL 93 Ca 0.05 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 2vlj s VAL 93 Cb -0.14 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2vlj s VAL 93 CO 0.04 0.41 1.05 -0.75 0.00 0.00 0.00 175.10 175.84 2vlj s LYS 94 N 1.41 3.24 -0.62 2.72 2.20 -1.26 -0.12 119.74 127.32 2vlj s LYS 94 Ca 0.05 1.00 -0.23 0.00 -0.36 0.00 0.00 55.97 56.43 2vlj s LYS 94 Cb -0.14 -2.03 0.06 0.00 -1.51 0.00 0.00 37.83 34.20 2vlj s LYS 94 CO -0.06 -0.86 0.96 -0.46 -0.36 0.00 0.00 175.35 174.58 2vlj s TRP 95 N -2.85 2.71 -0.27 4.03 -0.00 0.70 -4.84 118.94 118.43 2vlj s TRP 95 Ca 0.59 -0.35 -0.21 0.00 -0.00 0.00 0.00 56.10 56.13 2vlj s TRP 95 Cb -0.14 -4.21 -0.01 0.00 -0.00 0.00 0.00 33.47 29.11 2vlj s TRP 95 CO 0.47 -1.55 0.66 0.34 -0.00 0.00 0.00 176.95 176.87 2vlj s ASP 96 N 3.37 6.59 0.00 5.86 2.15 -1.26 -4.77 116.67 128.61 2vlj s ASP 96 Ca 0.25 0.68 0.00 0.00 0.43 0.00 0.00 52.55 53.91 2vlj s ASP 96 Cb -0.15 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 2vlj s ASP 96 CO 0.13 -0.42 0.46 -1.14 -0.17 0.00 0.00 175.17 174.03 2vlj n ARG 97 N 5.80 0.81 -3.17 4.34 0.63 -1.26 -0.00 116.66 123.81 2vlj n ARG 97 Ca 0.00 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 2vlj n ARG 97 Cb 0.49 -1.37 -0.04 0.00 0.45 0.00 0.00 32.46 31.99 2vlj n ARG 97 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2vlj n ASP 98 N 0.16 1.24 0.00 6.15 -0.08 -1.26 -5.01 116.55 117.74 2vlj n ASP 98 Ca 0.00 -3.04 0.00 0.00 -1.51 0.00 0.00 54.79 50.24 2vlj n ASP 98 Cb 0.23 -0.62 0.00 0.00 2.34 0.00 0.00 41.12 43.07 2vlj n ASP 98 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55