#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vlr s ILE 1 N 0.00 1.88 0.22 1.12 1.10 -1.26 -5.13 121.20 119.12 2vlr s ILE 1 Ca 0.00 -1.59 0.03 0.00 -0.51 0.00 0.00 60.65 58.59 2vlr s ILE 1 Cb 0.00 -2.13 -0.03 0.00 0.15 0.00 0.00 42.46 40.44 2vlr s ILE 1 CO 0.00 -0.18 0.36 -1.10 -2.11 0.00 0.00 174.94 171.90 2vlr s GLN 2 N 1.21 3.45 -0.10 3.50 -0.21 -1.26 -4.77 119.66 121.48 2vlr s GLN 2 Ca -0.04 -0.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.68 2vlr s GLN 2 Cb -0.19 -2.88 0.05 0.00 1.00 0.00 0.00 33.01 30.98 2vlr s GLN 2 CO -0.07 0.43 0.23 1.03 -2.12 0.00 0.00 175.29 174.79 2vlr s ARG 3 N -3.71 0.18 0.45 2.91 0.52 -0.63 -4.91 118.95 113.75 2vlr s ARG 3 Ca 0.35 0.53 -0.23 0.00 -0.52 0.00 0.00 55.73 55.87 2vlr s ARG 3 Cb -0.10 -0.13 -0.08 0.00 0.52 0.00 0.00 34.95 35.16 2vlr s ARG 3 CO 0.30 -0.18 1.11 0.95 0.02 0.00 0.00 175.30 177.49 2vlr s THR 4 N 1.42 3.39 0.30 0.02 -4.23 -1.26 -1.72 115.64 113.56 2vlr s THR 4 Ca -0.08 1.02 -0.29 0.00 -1.18 0.00 0.00 61.69 61.17 2vlr s THR 4 Cb -0.11 -3.51 -0.10 0.00 1.34 0.00 0.00 72.50 70.12 2vlr s THR 4 CO -0.08 -0.03 1.34 -2.16 -0.54 0.00 0.00 174.62 173.15 2vlr s PRO 5 N -2.71 4.33 0.27 3.99 0.04 -1.26 -4.38 135.00 135.28 2vlr s PRO 5 Ca 0.62 2.22 -0.30 0.00 0.04 0.00 0.00 61.00 63.59 2vlr s PRO 5 Cb -0.25 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.11 2vlr s PRO 5 CO 0.30 -0.26 1.09 0.15 0.04 0.00 0.00 177.00 178.33 2vlr s LYS 6 N -1.27 4.65 -0.09 4.56 1.02 0.70 -4.92 119.74 124.38 2vlr s LYS 6 Ca 0.52 1.77 0.02 0.00 0.02 0.00 0.00 55.97 58.31 2vlr s LYS 6 Cb -0.40 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2vlr s LYS 6 CO 0.49 0.22 -0.15 0.42 -0.92 0.00 0.00 175.35 175.41 2vlr s ILE 7 N -1.07 1.42 -0.03 2.17 1.01 -1.26 -2.20 121.20 121.24 2vlr s ILE 7 Ca 0.45 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2vlr s ILE 7 Cb -0.31 -1.29 0.01 0.00 0.01 0.00 0.00 42.46 40.88 2vlr s ILE 7 CO 0.40 0.42 -0.04 -1.10 0.00 0.00 0.00 174.94 174.62 2vlr s GLN 8 N 0.84 0.65 -0.10 2.79 -0.21 -0.87 -5.03 119.66 117.73 2vlr s GLN 8 Ca -0.10 -0.12 0.03 0.00 0.02 0.00 0.00 55.36 55.20 2vlr s GLN 8 Cb -0.15 -0.67 -0.00 0.00 1.00 0.00 0.00 33.01 33.18 2vlr s GLN 8 CO 0.01 -0.02 -0.22 0.08 -2.12 0.00 0.00 175.29 173.02 2vlr s VAL 9 N 0.59 2.27 0.23 1.09 1.01 -1.26 -0.48 120.40 123.84 2vlr s VAL 9 Ca -0.07 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 2vlr s VAL 9 Cb -0.11 -1.88 0.06 0.00 0.00 0.00 0.00 36.38 34.46 2vlr s VAL 9 CO -0.00 0.55 0.94 -0.72 0.00 0.00 0.00 175.10 175.88 2vlr s TYR 10 N 0.29 0.02 0.15 5.22 1.13 -0.81 -4.70 117.35 118.65 2vlr s TYR 10 Ca -0.16 -0.46 0.08 0.00 -1.41 0.00 0.00 57.07 55.13 2vlr s TYR 10 Cb -0.17 0.72 -0.04 0.00 -1.10 0.00 0.00 41.96 41.37 2vlr s TYR 10 CO 0.08 -1.07 -0.10 -1.54 -2.51 0.00 0.00 175.55 170.41 2vlr s SER 11 N -3.18 4.30 0.12 -0.18 1.04 -1.26 -0.24 113.70 114.29 2vlr s SER 11 Ca 0.17 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 55.90 2vlr s SER 11 Cb -0.03 -0.76 -0.07 0.00 0.10 0.00 0.00 66.02 65.27 2vlr s SER 11 CO 0.06 0.13 1.74 -0.09 0.98 0.00 0.00 173.24 176.06 2vlr h ARG 12 N 3.15 0.30 -6.20 4.02 2.43 -1.78 -3.44 114.38 112.85 2vlr h ARG 12 Ca -0.48 -0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.08 2vlr h ARG 12 Cb 1.19 -0.06 -0.12 0.00 -0.42 0.00 0.00 29.97 30.56 2vlr h ARG 12 CO 0.53 0.25 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.52 2vlr s HIS 13 N -6.00 2.46 0.15 2.20 3.76 -1.26 -5.07 115.29 111.54 2vlr s HIS 13 Ca -0.13 -0.29 -0.33 0.00 -0.15 0.00 0.00 55.06 54.16 2vlr s HIS 13 Cb 0.08 -1.08 -0.16 0.00 1.11 0.00 0.00 32.58 32.53 2vlr s HIS 13 CO 0.70 0.68 1.11 -2.30 -0.85 0.00 0.00 174.74 174.07 2vlr n PRO 14 N -0.73 0.95 -2.06 8.40 -0.02 -1.26 -4.88 135.00 135.39 2vlr n PRO 14 Ca -0.06 0.34 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 2vlr n PRO 14 Cb 0.60 -1.80 -0.03 0.00 -0.02 0.00 0.00 33.50 32.25 2vlr n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vlr s ALA 15 N -0.22 3.64 -0.02 3.55 0.00 -1.26 -5.03 121.76 122.42 2vlr s ALA 15 Ca 0.74 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.81 2vlr s ALA 15 Cb -0.90 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 18.57 2vlr s ALA 15 CO 0.53 -0.99 -0.11 -2.00 0.00 0.00 0.00 175.76 173.18 2vlr s GLU 16 N 2.43 1.06 -0.29 0.00 2.12 -1.26 -5.12 118.70 117.64 2vlr s GLU 16 Ca 0.69 -0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.33 2vlr s GLU 16 Cb -0.36 -1.00 -0.00 0.00 0.26 0.00 0.00 34.13 33.03 2vlr s GLU 16 CO 0.30 0.20 1.35 -0.80 -0.54 0.00 0.00 175.26 175.77 2vlr s ASN 17 N -0.07 6.62 0.00 -1.70 0.01 -1.26 -2.77 114.94 115.77 2vlr s ASN 17 Ca 0.01 1.26 0.00 0.00 -0.71 0.00 0.00 52.86 53.41 2vlr s ASN 17 Cb -0.07 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.05 2vlr s ASN 17 CO 0.00 -1.11 0.00 0.61 -1.51 0.00 0.00 177.10 175.09 2vlr n GLY 18 N 4.38 0.75 3.43 0.66 0.00 -0.84 -5.04 105.19 108.54 2vlr n GLY 18 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2vlr n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2vlr s LYS 19 N -0.76 3.60 0.63 1.61 2.20 -1.11 -5.02 119.74 120.89 2vlr s LYS 19 Ca 0.00 -0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 54.92 2vlr s LYS 19 Cb 0.00 -3.14 -0.08 0.00 -1.51 0.00 0.00 37.83 33.10 2vlr s LYS 19 CO 0.00 -0.07 0.37 0.45 -0.36 0.00 0.00 175.35 175.75 2vlr n SER 20 N 4.50 -1.69 -2.15 1.43 2.88 -1.26 -4.39 113.62 112.93 2vlr n SER 20 Ca -0.17 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2vlr n SER 20 Cb 0.52 -1.12 0.01 0.00 -0.75 0.00 0.00 64.21 62.86 2vlr n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2vlr n ASN 21 N 0.65 -0.64 -4.02 -3.46 2.85 -0.48 -4.99 115.26 105.17 2vlr n ASN 21 Ca 0.10 -1.24 -0.20 0.00 -0.11 0.00 0.00 54.58 53.13 2vlr n ASN 21 Cb 0.49 1.02 -0.15 0.00 1.24 0.00 0.00 39.78 42.37 2vlr n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2vlr s PHE 22 N -3.37 0.93 -0.17 1.20 0.40 -1.26 -1.22 117.98 114.48 2vlr s PHE 22 Ca 0.12 -0.21 -0.13 0.00 -0.60 0.00 0.00 56.93 56.11 2vlr s PHE 22 Cb -0.01 -0.63 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 2vlr s PHE 22 CO 0.01 -0.06 0.27 -1.17 0.70 0.00 0.00 175.22 174.97 2vlr s LEU 23 N 0.00 4.22 0.05 -0.37 2.96 -0.20 -1.93 118.68 123.42 2vlr s LEU 23 Ca -0.00 0.44 0.07 0.00 -0.22 0.00 0.00 54.13 54.43 2vlr s LEU 23 Cb -0.06 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 2vlr s LEU 23 CO 0.00 0.09 -0.18 0.20 -1.32 0.00 0.00 176.35 175.15 2vlr s ASN 24 N 0.54 3.84 -0.21 3.68 0.01 0.66 -1.74 114.94 121.72 2vlr s ASN 24 Ca 0.15 -0.44 0.01 0.00 -0.71 0.00 0.00 52.86 51.87 2vlr s ASN 24 Cb -0.13 -0.61 0.05 0.00 0.41 0.00 0.00 41.25 40.97 2vlr s ASN 24 CO 0.03 0.24 -0.09 0.00 -1.51 0.00 0.00 177.10 175.77 2vlr s TYR 26 N 1.36 3.20 -0.11 0.00 5.04 0.37 -2.08 117.35 125.12 2vlr s TYR 26 Ca -0.03 0.55 -0.01 0.00 -2.44 0.00 0.00 57.07 55.13 2vlr s TYR 26 Cb -0.17 -3.05 -0.03 0.00 0.35 0.00 0.00 41.96 39.06 2vlr s TYR 26 CO -0.07 -0.52 -0.06 0.14 -1.34 0.00 0.00 175.55 173.69 2vlr s VAL 27 N 2.67 3.74 0.15 3.14 -7.23 -0.87 -2.04 120.40 119.95 2vlr s VAL 27 Ca 0.26 -0.44 -0.16 0.00 -1.81 0.00 0.00 61.98 59.84 2vlr s VAL 27 Cb -0.15 -2.58 0.03 0.00 0.56 0.00 0.00 36.38 34.24 2vlr s VAL 27 CO 0.13 0.54 0.42 -0.94 -0.31 0.00 0.00 175.10 174.94 2vlr s SER 28 N -0.16 -0.21 -0.37 4.85 1.04 -0.93 -1.48 113.70 116.45 2vlr s SER 28 Ca 0.02 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.03 2vlr s SER 28 Cb -0.13 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2vlr s SER 28 CO 0.03 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2vlr n GLY 29 N -0.25 0.63 3.88 7.32 0.00 -0.38 -0.21 105.19 116.17 2vlr n GLY 29 Ca -0.13 -0.91 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 2vlr n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vlr s PHE 30 N -2.13 3.09 -0.29 1.61 -0.71 -1.23 -4.59 117.98 113.72 2vlr s PHE 30 Ca 0.00 -0.18 -0.16 0.00 -1.04 0.00 0.00 56.93 55.56 2vlr s PHE 30 Cb 0.00 -1.64 0.14 0.00 -1.21 0.00 0.00 43.02 40.31 2vlr s PHE 30 CO 0.00 0.33 0.91 -1.58 -1.34 0.00 0.00 175.22 173.54 2vlr s HIS 31 N -2.18 -0.72 0.77 3.49 2.46 -0.70 -1.98 115.29 116.44 2vlr s HIS 31 Ca 0.37 1.39 -0.13 0.00 0.47 0.00 0.00 55.06 57.16 2vlr s HIS 31 Cb -0.08 0.43 0.20 0.00 -0.13 0.00 0.00 32.58 33.00 2vlr s HIS 31 CO 0.27 -0.36 0.50 -0.35 -2.47 0.00 0.00 174.74 172.33 2vlr n PRO 32 N 4.10 -3.27 0.06 2.88 -0.04 -1.26 -1.61 135.00 135.87 2vlr n PRO 32 Ca -0.17 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.46 2vlr n PRO 32 Cb 0.57 -1.00 -0.05 0.00 -0.04 0.00 0.00 33.50 32.97 2vlr n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2vlr h SER 33 N -2.68 0.00 -1.74 3.54 4.64 -2.00 -3.46 113.55 111.84 2vlr h SER 33 Ca -0.22 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.41 2vlr h SER 33 Cb 0.72 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.82 2vlr h SER 33 CO 0.13 0.57 0.97 0.47 -0.87 0.00 0.00 176.83 178.11 2vlr n ASP 34 N -3.00 2.80 -3.68 4.97 10.43 -1.26 -4.98 116.55 121.82 2vlr n ASP 34 Ca -0.06 1.04 -0.14 0.00 2.57 0.00 0.00 54.79 58.20 2vlr n ASP 34 Cb 0.81 -1.23 -0.09 0.00 1.84 0.00 0.00 41.12 42.46 2vlr n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 2vlr s ILE 35 N 3.67 0.00 -0.20 0.53 2.07 -1.26 -4.60 121.20 121.41 2vlr s ILE 35 Ca 0.96 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 60.13 2vlr s ILE 35 Cb -0.92 -0.77 -0.03 0.00 0.13 0.00 0.00 42.46 40.87 2vlr s ILE 35 CO 0.60 -0.01 0.01 -1.61 -1.91 0.00 0.00 174.94 172.02 2vlr s GLU 36 N 0.22 3.67 -0.09 3.50 2.02 -0.52 -5.00 118.70 122.50 2vlr s GLU 36 Ca -0.01 -0.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 2vlr s GLU 36 Cb -0.04 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.10 2vlr s GLU 36 CO 0.01 0.04 -0.06 0.08 0.02 0.00 0.00 175.26 175.35 2vlr s VAL 37 N 0.95 0.83 0.04 2.63 1.01 -1.26 -1.42 120.40 123.18 2vlr s VAL 37 Ca 0.02 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.89 2vlr s VAL 37 Cb -0.14 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 2vlr s VAL 37 CO 0.02 0.32 -0.23 -1.81 0.00 0.00 0.00 175.10 173.40 2vlr s ASP 38 N 1.54 3.43 -0.06 3.32 1.01 0.22 -4.99 116.67 121.13 2vlr s ASP 38 Ca 0.01 -0.52 -0.03 0.00 0.71 0.00 0.00 52.55 52.72 2vlr s ASP 38 Cb -0.13 -0.43 -0.04 0.00 1.01 0.00 0.00 42.92 43.34 2vlr s ASP 38 CO -0.05 0.26 0.08 -0.76 0.21 0.00 0.00 175.17 174.91 2vlr s LEU 39 N -1.29 3.98 -0.01 1.23 1.43 -1.26 -0.45 118.68 122.31 2vlr s LEU 39 Ca 0.13 0.26 0.07 0.00 -1.03 0.00 0.00 54.13 53.56 2vlr s LEU 39 Cb -0.10 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2vlr s LEU 39 CO 0.03 0.35 -0.23 -0.76 0.23 0.00 0.00 176.35 175.97 2vlr s LEU 40 N -1.27 2.06 -0.25 1.79 1.43 -0.80 -1.06 118.68 120.57 2vlr s LEU 40 Ca 0.18 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 2vlr s LEU 40 Cb -0.12 -1.18 0.03 0.00 0.03 0.00 0.00 46.19 44.95 2vlr s LEU 40 CO 0.08 0.28 -0.06 -0.75 0.23 0.00 0.00 176.35 176.12 2vlr s LYS 41 N -0.62 2.78 -1.17 1.70 2.20 0.32 -2.46 119.74 122.50 2vlr s LYS 41 Ca 0.09 -1.01 -0.01 0.00 -0.36 0.00 0.00 55.97 54.68 2vlr s LYS 41 Cb -0.09 -2.98 0.01 0.00 -1.51 0.00 0.00 37.83 33.26 2vlr s LYS 41 CO -0.01 -0.42 0.10 0.09 -0.36 0.00 0.00 175.35 174.75 2vlr n ASN 42 N 4.65 -4.18 0.00 1.43 3.02 0.21 -1.86 115.26 118.54 2vlr n ASN 42 Ca -0.16 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2vlr n ASN 42 Cb 0.47 -3.52 0.00 0.00 -0.61 0.00 0.00 39.78 36.12 2vlr n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vlr n GLY 43 N -0.91 0.34 3.39 7.41 0.00 -1.26 -5.05 105.19 109.11 2vlr n GLY 43 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 2vlr n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2vlr s GLU 44 N -0.98 3.36 -0.22 1.61 2.02 -0.78 -5.02 118.70 118.68 2vlr s GLU 44 Ca 0.00 -0.67 -0.43 0.00 0.02 0.00 0.00 54.97 53.89 2vlr s GLU 44 Cb 0.00 -2.65 -0.20 0.00 0.10 0.00 0.00 34.13 31.38 2vlr s GLU 44 CO 0.00 0.25 1.31 -2.13 0.02 0.00 0.00 175.26 174.71 2vlr n ARG 45 N 3.43 0.01 -3.10 1.61 0.63 -1.26 -0.52 116.66 117.45 2vlr n ARG 45 Ca -0.18 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.36 2vlr n ARG 45 Cb 0.53 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 31.88 2vlr n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2vlr s ILE 46 N 1.34 5.03 -0.28 5.15 1.01 -0.22 -4.80 121.20 128.44 2vlr s ILE 46 Ca 0.97 1.36 0.12 0.00 0.00 0.00 0.00 60.65 63.09 2vlr s ILE 46 Cb -1.37 -4.00 0.62 0.00 0.01 0.00 0.00 42.46 37.72 2vlr s ILE 46 CO 0.68 0.29 1.61 -0.62 0.00 0.00 0.00 174.94 176.90 2vlr n GLU 47 N 3.58 2.98 -3.19 2.79 1.02 -1.26 -4.51 120.64 122.06 2vlr n GLU 47 Ca -0.03 -3.04 -0.23 0.00 -0.02 0.00 0.00 57.16 53.84 2vlr n GLU 47 Cb 0.51 -2.01 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 2vlr n GLU 47 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2vlr n LYS 48 N -0.53 1.64 -4.61 3.49 4.81 -1.26 -5.10 118.16 116.60 2vlr n LYS 48 Ca 0.34 -3.88 -0.34 0.00 -0.87 0.00 0.00 58.31 53.57 2vlr n LYS 48 Cb 1.17 -1.76 -0.12 0.00 0.02 0.00 0.00 35.03 34.33 2vlr n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2vlr s VAL 49 N -2.44 3.61 0.25 3.15 1.01 -1.26 -4.60 120.40 120.12 2vlr s VAL 49 Ca 0.40 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.99 2vlr s VAL 49 Cb 0.24 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 2vlr s VAL 49 CO -0.09 0.56 -0.17 -1.61 0.00 0.00 0.00 175.10 173.79 2vlr s GLU 50 N -0.29 1.51 0.14 2.72 2.02 -0.44 -4.96 118.70 119.41 2vlr s GLU 50 Ca 0.04 -1.69 0.01 0.00 0.02 0.00 0.00 54.97 53.35 2vlr s GLU 50 Cb -0.13 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 2vlr s GLU 50 CO 0.02 0.25 -0.01 -3.38 0.02 0.00 0.00 175.26 172.17 2vlr s HIS 51 N -2.74 1.06 0.77 1.61 -3.43 -1.26 -0.47 115.29 110.83 2vlr s HIS 51 Ca 0.26 -1.03 -0.11 0.00 -0.80 0.00 0.00 55.06 53.38 2vlr s HIS 51 Cb -0.03 -0.61 0.06 0.00 -1.43 0.00 0.00 32.58 30.58 2vlr s HIS 51 CO 0.11 -0.25 1.14 -1.54 -2.00 0.00 0.00 174.74 172.20 2vlr s SER 52 N -3.11 4.76 0.36 7.38 1.04 -0.63 -4.98 113.70 118.51 2vlr s SER 52 Ca 0.20 0.83 -0.26 0.00 0.48 0.00 0.00 55.95 57.21 2vlr s SER 52 Cb 0.06 -1.42 -0.09 0.00 0.10 0.00 0.00 66.02 64.67 2vlr s SER 52 CO 0.01 -1.74 1.07 -1.81 0.98 0.00 0.00 173.24 171.76 2vlr s ASP 53 N -4.52 6.91 0.09 7.02 1.01 -1.26 -4.77 116.67 121.14 2vlr s ASP 53 Ca 0.61 2.14 -0.31 0.00 0.71 0.00 0.00 52.55 55.70 2vlr s ASP 53 Cb -0.11 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.13 2vlr s ASP 53 CO 0.49 -0.39 1.80 -0.22 0.21 0.00 0.00 175.17 177.06 2vlr s LEU 54 N -2.23 4.39 0.21 1.23 2.96 -1.26 -4.92 118.68 119.06 2vlr s LEU 54 Ca 0.53 2.65 -0.03 0.00 -0.22 0.00 0.00 54.13 57.06 2vlr s LEU 54 Cb -0.26 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.84 2vlr s LEU 54 CO 0.33 -0.98 0.19 -0.55 -1.32 0.00 0.00 176.35 174.02 2vlr s SER 55 N 2.93 0.11 0.05 3.68 0.15 -1.24 -5.06 113.70 114.32 2vlr s SER 55 Ca 0.80 -1.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.14 2vlr s SER 55 Cb -0.43 0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 64.26 2vlr s SER 55 CO 0.36 -0.89 -0.02 0.72 1.20 0.00 0.00 173.24 174.61 2vlr s PHE 56 N -4.13 0.46 0.68 3.44 -0.12 -1.26 -2.18 117.98 114.87 2vlr s PHE 56 Ca 0.35 -0.96 -0.06 0.00 -0.05 0.00 0.00 56.93 56.22 2vlr s PHE 56 Cb 0.06 -0.34 0.05 0.00 -0.63 0.00 0.00 43.02 42.16 2vlr s PHE 56 CO 0.11 -0.36 0.99 -1.12 -0.05 0.00 0.00 175.22 174.79 2vlr s SER 57 N -2.68 4.92 0.37 1.98 0.01 -0.72 -4.94 113.70 112.64 2vlr s SER 57 Ca 0.03 0.44 0.18 0.00 1.31 0.00 0.00 55.95 57.92 2vlr s SER 57 Cb 0.05 -1.14 1.15 0.00 0.21 0.00 0.00 66.02 66.28 2vlr s SER 57 CO -0.09 -1.52 1.68 0.50 0.41 0.00 0.00 173.24 174.23 2vlr h LYS 58 N -0.51 0.30 -0.15 12.44 3.11 -2.02 0.23 116.57 129.97 2vlr h LYS 58 Ca -0.44 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.38 2vlr h LYS 58 Cb 1.31 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.47 2vlr h LYS 58 CO 0.60 0.20 0.00 -0.40 -2.81 0.00 0.00 179.45 177.04 2vlr n ASP 59 N -4.88 1.04 0.00 4.20 5.75 -1.26 -4.94 116.55 116.46 2vlr n ASP 59 Ca 0.31 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 2vlr n ASP 59 Cb 1.04 -0.10 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 2vlr n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2vlr n TRP 60 N -0.02 0.00 -1.78 2.11 7.02 0.07 -5.05 117.44 119.79 2vlr n TRP 60 Ca 0.11 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.24 2vlr n TRP 60 Cb 0.20 0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.15 2vlr n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2vlr s SER 61 N -0.76 4.81 0.40 -0.99 1.04 -1.26 -4.63 113.70 112.31 2vlr s SER 61 Ca 0.00 2.36 -0.06 0.00 0.48 0.00 0.00 55.95 58.73 2vlr s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2vlr s SER 61 CO 0.00 -1.85 0.70 -0.36 0.98 0.00 0.00 173.24 172.71 2vlr s PHE 62 N -1.77 3.51 -0.02 5.02 0.08 -0.84 -1.76 117.98 122.20 2vlr s PHE 62 Ca 0.76 0.78 -0.10 0.00 0.12 0.00 0.00 56.93 58.49 2vlr s PHE 62 Cb -0.30 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 39.92 2vlr s PHE 62 CO 0.38 -0.09 0.21 1.52 -0.10 0.00 0.00 175.22 177.14 2vlr s TYR 63 N -2.45 -0.09 -0.02 0.36 -0.85 -0.93 -1.25 117.35 112.12 2vlr s TYR 63 Ca 0.47 0.14 -0.13 0.00 -0.52 0.00 0.00 57.07 57.04 2vlr s TYR 63 Cb -0.10 0.02 0.02 0.00 0.38 0.00 0.00 41.96 42.28 2vlr s TYR 63 CO 0.37 -0.28 0.27 -0.51 -1.52 0.00 0.00 175.55 173.88 2vlr s LEU 64 N -1.04 1.01 -0.26 -3.49 1.43 -0.55 -3.66 118.68 112.13 2vlr s LEU 64 Ca -0.11 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2vlr s LEU 64 Cb -0.06 1.10 0.06 0.00 0.03 0.00 0.00 46.19 47.33 2vlr s LEU 64 CO 0.02 -0.39 -0.10 -0.22 0.23 0.00 0.00 176.35 175.90 2vlr s LEU 65 N -1.15 3.40 -0.04 1.79 2.96 -1.26 -2.06 118.68 122.32 2vlr s LEU 65 Ca -0.12 -1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 52.22 2vlr s LEU 65 Cb -0.05 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.08 2vlr s LEU 65 CO 0.03 -0.20 0.45 -0.31 -1.32 0.00 0.00 176.35 175.00 2vlr s TYR 66 N 1.13 3.65 0.01 5.38 1.51 -0.88 -1.61 117.35 126.54 2vlr s TYR 66 Ca -0.08 0.98 -0.16 0.00 -1.01 0.00 0.00 57.07 56.80 2vlr s TYR 66 Cb -0.20 -2.41 0.03 0.00 -0.11 0.00 0.00 41.96 39.27 2vlr s TYR 66 CO -0.05 0.45 0.35 1.52 -1.11 0.00 0.00 175.55 176.71 2vlr s TYR 67 N -0.41 -0.21 -0.03 2.71 -0.85 0.38 -1.07 117.35 117.88 2vlr s TYR 67 Ca 0.25 0.22 -0.18 0.00 -0.52 0.00 0.00 57.07 56.84 2vlr s TYR 67 Cb -0.16 0.14 0.03 0.00 0.38 0.00 0.00 41.96 42.35 2vlr s TYR 67 CO 0.13 -0.48 0.38 -0.08 -1.52 0.00 0.00 175.55 173.98 2vlr s THR 68 N -1.93 0.05 0.15 -3.49 -1.32 -0.71 -1.32 115.64 107.06 2vlr s THR 68 Ca -0.09 -0.37 -0.30 0.00 -1.21 0.00 0.00 61.69 59.72 2vlr s THR 68 Cb -0.03 -0.68 -0.07 0.00 -1.51 0.00 0.00 72.50 70.22 2vlr s THR 68 CO 0.01 -0.21 1.03 -0.70 -2.21 0.00 0.00 174.62 172.55 2vlr s GLU 69 N -1.24 4.65 0.13 7.08 2.12 -1.26 -1.03 118.70 129.15 2vlr s GLU 69 Ca -0.13 1.60 -0.15 0.00 0.36 0.00 0.00 54.97 56.65 2vlr s GLU 69 Cb -0.04 -3.32 0.03 0.00 0.26 0.00 0.00 34.13 31.06 2vlr s GLU 69 CO 0.05 0.16 0.40 -0.59 -0.54 0.00 0.00 175.26 174.74 2vlr s PHE 70 N -0.20 -0.14 -0.29 5.30 -0.71 -0.36 -4.88 117.98 116.71 2vlr s PHE 70 Ca 0.48 -0.19 0.03 0.00 -1.04 0.00 0.00 56.93 56.21 2vlr s PHE 70 Cb -0.27 0.24 0.07 0.00 -1.21 0.00 0.00 43.02 41.86 2vlr s PHE 70 CO 0.33 -0.72 -0.05 0.99 -1.34 0.00 0.00 175.22 174.42 2vlr s THR 71 N -3.82 2.24 0.37 -4.49 2.01 -1.26 -1.38 115.64 109.30 2vlr s THR 71 Ca 0.05 -1.86 -0.28 0.00 0.31 0.00 0.00 61.69 59.91 2vlr s THR 71 Cb 0.02 -2.43 -0.11 0.00 0.01 0.00 0.00 72.50 69.99 2vlr s THR 71 CO -0.10 -0.22 1.44 -2.84 -0.69 0.00 0.00 174.62 172.21 2vlr s PRO 72 N 1.04 4.16 0.28 4.92 0.02 -1.26 -4.85 135.00 139.30 2vlr s PRO 72 Ca -0.03 2.48 0.02 0.00 0.02 0.00 0.00 61.00 63.49 2vlr s PRO 72 Cb -0.20 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.33 2vlr s PRO 72 CO -0.06 -0.45 0.09 0.25 -0.33 0.00 0.00 177.00 176.50 2vlr n THR 73 N 0.52 0.00 0.11 0.99 -2.24 -1.26 -1.98 114.28 110.42 2vlr n THR 73 Ca 0.01 -1.58 -0.17 0.00 -2.27 0.00 0.00 64.05 60.03 2vlr n THR 73 Cb 0.40 0.55 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 2vlr n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2vlr h GLU 74 N 0.00 0.31 0.00 -0.78 4.81 -2.00 -3.36 114.58 113.56 2vlr h GLU 74 Ca -0.22 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 2vlr h GLU 74 Cb 0.81 0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2vlr h GLU 74 CO 0.34 1.26 -1.00 1.63 -0.73 0.00 0.00 179.01 180.51 2vlr n LYS 75 N -3.56 0.16 -2.55 1.92 4.76 -1.26 -4.96 118.16 112.68 2vlr n LYS 75 Ca -0.10 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.90 2vlr n LYS 75 Cb 1.04 -1.54 -0.03 0.00 -1.84 0.00 0.00 35.03 32.66 2vlr n LYS 75 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2vlr s ASP 76 N -3.48 7.16 -0.17 4.39 1.01 -1.26 -5.05 116.67 119.28 2vlr s ASP 76 Ca 0.06 1.77 -0.07 0.00 0.71 0.00 0.00 52.55 55.02 2vlr s ASP 76 Cb 0.15 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 2vlr s ASP 76 CO 0.82 -0.46 0.05 -0.70 0.21 0.00 0.00 175.17 175.09 2vlr s GLU 77 N 1.67 3.83 0.07 8.23 2.12 -1.26 -4.87 118.70 128.50 2vlr s GLU 77 Ca 0.54 -0.35 0.07 0.00 0.36 0.00 0.00 54.97 55.60 2vlr s GLU 77 Cb -0.24 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 2vlr s GLU 77 CO 0.24 0.35 -0.20 0.71 -0.54 0.00 0.00 175.26 175.81 2vlr s TYR 78 N 0.16 1.73 0.24 5.30 2.02 -1.26 -0.62 117.35 124.92 2vlr s TYR 78 Ca 0.04 -0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 2vlr s TYR 78 Cb -0.12 -0.99 -0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2vlr s TYR 78 CO 0.01 0.14 0.42 0.00 -1.57 0.00 0.00 175.55 174.55 2vlr s ALA 79 N -1.00 -0.01 -0.07 3.71 0.00 -1.03 0.05 121.76 123.40 2vlr s ALA 79 Ca 0.06 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2vlr s ALA 79 Cb -0.09 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.15 2vlr s ALA 79 CO 0.03 -0.81 -0.20 0.00 0.00 0.00 0.00 175.76 174.78 2vlr s ARG 81 N 0.28 3.14 -0.02 0.00 3.52 0.41 -1.22 118.95 125.05 2vlr s ARG 81 Ca -0.12 -0.80 0.03 0.00 -0.13 0.00 0.00 55.73 54.70 2vlr s ARG 81 Cb -0.15 -2.51 -0.00 0.00 -1.56 0.00 0.00 34.95 30.72 2vlr s ARG 81 CO 0.05 0.05 -0.10 0.08 -0.81 0.00 0.00 175.30 174.57 2vlr s VAL 82 N 0.71 0.80 0.06 7.11 1.01 -0.86 -0.61 120.40 128.61 2vlr s VAL 82 Ca -0.08 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2vlr s VAL 82 Cb -0.16 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2vlr s VAL 82 CO 0.01 0.24 -0.11 0.21 0.00 0.00 0.00 175.10 175.46 2vlr s ASN 83 N 0.04 1.21 0.26 3.32 3.04 -0.50 -1.67 114.94 120.63 2vlr s ASN 83 Ca -0.01 -0.59 -0.16 0.00 0.04 0.00 0.00 52.86 52.15 2vlr s ASN 83 Cb -0.07 0.00 0.00 0.00 -1.54 0.00 0.00 41.25 39.65 2vlr s ASN 83 CO 0.00 -0.15 0.56 -2.28 -3.04 0.00 0.00 177.10 172.19 2vlr s HIS 84 N -1.37 0.16 0.34 0.43 5.65 -1.26 -1.44 115.29 117.80 2vlr s HIS 84 Ca -0.06 -0.56 0.32 0.00 0.25 0.00 0.00 55.06 55.01 2vlr s HIS 84 Cb -0.10 0.38 1.54 0.00 -1.18 0.00 0.00 32.58 33.22 2vlr s HIS 84 CO 0.01 -1.08 2.07 -0.24 -0.65 0.00 0.00 174.74 174.85 2vlr h VAL 85 N 2.16 0.31 -0.00 0.89 3.04 -1.95 -2.99 116.25 117.71 2vlr h VAL 85 Ca -0.24 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.95 2vlr h VAL 85 Cb 1.25 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2vlr h VAL 85 CO 0.31 0.08 -0.32 0.35 -1.01 0.00 0.00 177.57 176.98 2vlr n THR 86 N -3.36 0.00 -4.00 3.17 -2.24 -1.26 -4.87 114.28 101.73 2vlr n THR 86 Ca -0.01 -0.01 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 2vlr n THR 86 Cb 0.25 0.03 -0.07 0.00 -2.10 0.00 0.00 70.33 68.44 2vlr n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2vlr s LEU 87 N -2.92 4.16 0.21 3.22 1.43 -1.13 -5.01 118.68 118.64 2vlr s LEU 87 Ca 0.14 0.36 0.11 0.00 -1.03 0.00 0.00 54.13 53.72 2vlr s LEU 87 Cb 0.18 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.41 2vlr s LEU 87 CO 0.62 0.38 1.41 0.77 0.23 0.00 0.00 176.35 179.76 2vlr h SER 88 N 5.16 0.00 -5.07 2.29 4.64 -1.89 -3.45 113.55 115.23 2vlr h SER 88 Ca -0.53 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.70 2vlr h SER 88 Cb 1.21 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 2vlr h SER 88 CO 0.58 0.73 -0.30 -1.10 -0.87 0.00 0.00 176.83 175.88 2vlr s GLN 89 N -2.95 0.79 1.14 4.77 -0.21 -1.26 -5.16 119.66 116.79 2vlr s GLN 89 Ca 0.02 -0.61 -0.16 0.00 0.02 0.00 0.00 55.36 54.62 2vlr s GLN 89 Cb 0.09 0.34 0.18 0.00 1.00 0.00 0.00 33.01 34.62 2vlr s GLN 89 CO 0.78 -0.25 0.42 -2.30 -2.12 0.00 0.00 175.29 171.82 2vlr n PRO 90 N 0.49 -1.96 -3.74 2.91 -0.02 -1.26 -4.96 135.00 126.45 2vlr n PRO 90 Ca -0.18 -0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 60.61 2vlr n PRO 90 Cb 0.60 -1.89 -0.15 0.00 -0.02 0.00 0.00 33.50 32.04 2vlr n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2vlr s LYS 91 N -3.83 0.08 -0.16 -0.52 2.20 -0.67 -4.97 119.74 111.86 2vlr s LYS 91 Ca 0.61 0.37 -0.07 0.00 -0.36 0.00 0.00 55.97 56.53 2vlr s LYS 91 Cb -0.18 -0.20 -0.04 0.00 -1.51 0.00 0.00 37.83 35.91 2vlr s LYS 91 CO 0.66 -0.18 0.08 0.42 -0.36 0.00 0.00 175.35 175.97 2vlr s ILE 92 N 1.26 4.93 -0.04 5.43 -1.09 -1.26 -2.03 121.20 128.40 2vlr s ILE 92 Ca -0.08 0.01 0.06 0.00 -2.23 0.00 0.00 60.65 58.40 2vlr s ILE 92 Cb -0.12 -3.19 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2vlr s ILE 92 CO -0.06 0.51 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.27 2vlr s VAL 93 N -0.11 1.65 0.05 2.92 1.01 -0.36 -4.99 120.40 120.57 2vlr s VAL 93 Ca 0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 2vlr s VAL 93 Cb -0.12 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2vlr s VAL 93 CO 0.01 0.47 0.23 -0.75 0.00 0.00 0.00 175.10 175.06 2vlr s LYS 94 N -0.21 3.48 -0.24 2.72 2.20 -1.26 -0.17 119.74 126.26 2vlr s LYS 94 Ca 0.01 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.00 2vlr s LYS 94 Cb -0.11 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2vlr s LYS 94 CO 0.01 0.61 1.17 -0.46 -0.36 0.00 0.00 175.35 176.32 2vlr s TRP 95 N -1.47 3.01 -0.45 4.03 -0.00 0.11 -4.86 118.94 119.31 2vlr s TRP 95 Ca 0.34 1.14 -0.10 0.00 -0.00 0.00 0.00 56.10 57.48 2vlr s TRP 95 Cb -0.13 -3.56 0.09 0.00 -0.00 0.00 0.00 33.47 29.87 2vlr s TRP 95 CO 0.24 -1.18 0.31 0.34 -0.00 0.00 0.00 176.95 176.67 2vlr s ASP 96 N 1.86 5.75 0.65 5.86 -1.08 -1.26 -4.75 116.67 123.69 2vlr s ASP 96 Ca 0.50 -1.61 0.43 0.00 -0.52 0.00 0.00 52.55 51.35 2vlr s ASP 96 Cb -0.17 -2.03 2.26 0.00 -1.46 0.00 0.00 42.92 41.52 2vlr s ASP 96 CO 0.14 -0.61 2.31 0.08 0.52 0.00 0.00 175.17 177.61 2vlr h ARG 97 N 8.49 0.00 -2.76 4.34 0.11 -1.97 -0.72 114.38 121.87 2vlr h ARG 97 Ca -0.23 0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.13 2vlr h ARG 97 Cb 1.08 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 32.09 2vlr h ARG 97 CO 0.82 0.00 2.93 -3.47 0.10 0.00 0.00 179.97 180.35 2vlr n ASP 98 N -3.11 8.29 0.00 0.08 4.64 -1.26 -4.85 116.55 120.34 2vlr n ASP 98 Ca -0.02 -2.94 0.00 0.00 -1.38 0.00 0.00 54.79 50.44 2vlr n ASP 98 Cb 0.11 -1.43 0.00 0.00 -1.04 0.00 0.00 41.12 38.76 2vlr n ASP 98 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61