#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 1.52 0.32 1.12 2.07 -1.26 -5.14 121.20 119.83 2vlr s ILE 1 Ca 0.00 -1.10 0.07 0.00 -1.41 0.00 0.00 60.65 58.20 2vlr s ILE 1 Cb 0.00 -1.72 -0.02 0.00 0.13 0.00 0.00 42.46 40.85 2vlr s ILE 1 CO 0.00 -0.00 0.40 -1.10 -1.91 0.00 0.00 174.94 172.33 2vlr s GLN 2 N 1.42 3.04 -0.16 3.50 -0.21 -1.26 -4.84 119.66 121.15 2vlr s GLN 2 Ca -0.04 -1.06 -0.14 0.00 0.02 0.00 0.00 55.36 54.14 2vlr s GLN 2 Cb -0.18 -2.73 0.05 0.00 1.00 0.00 0.00 33.01 31.15 2vlr s GLN 2 CO -0.07 0.13 0.43 1.03 -2.12 0.00 0.00 175.29 174.68 2vlr s ARG 3 N -4.09 0.48 0.38 2.91 0.52 -0.56 -4.92 118.95 113.67 2vlr s ARG 3 Ca 0.42 0.64 -0.23 0.00 -0.52 0.00 0.00 55.73 56.04 2vlr s ARG 3 Cb -0.08 0.19 -0.10 0.00 0.52 0.00 0.00 34.95 35.47 2vlr s ARG 3 CO 0.29 -0.08 0.93 0.95 0.02 0.00 0.00 175.30 177.41 2vlr s THR 4 N 0.46 4.34 0.37 0.02 -4.23 -1.26 -2.14 115.64 113.21 2vlr s THR 4 Ca -0.02 1.59 -0.28 0.00 -1.18 0.00 0.00 61.69 61.80 2vlr s THR 4 Cb -0.04 -3.77 -0.11 0.00 1.34 0.00 0.00 72.50 69.92 2vlr s THR 4 CO -0.02 -0.12 1.48 -2.16 -0.54 0.00 0.00 174.62 173.26 2vlr s PRO 5 N -2.70 4.12 0.34 3.99 0.04 -1.26 -4.43 135.00 135.10 2vlr s PRO 5 Ca 0.56 2.56 -0.14 0.00 0.04 0.00 0.00 61.00 64.02 2vlr s PRO 5 Cb -0.13 -2.97 -0.09 0.00 0.04 0.00 0.00 34.50 31.35 2vlr s PRO 5 CO 0.18 -0.52 0.75 0.15 0.04 0.00 0.00 177.00 177.60 2vlr s LYS 6 N -2.08 3.97 -0.04 4.56 1.02 0.12 -4.92 119.74 122.37 2vlr s LYS 6 Ca 0.53 0.66 0.01 0.00 0.02 0.00 0.00 55.97 57.19 2vlr s LYS 6 Cb -0.46 -2.41 0.02 0.00 -0.52 0.00 0.00 37.83 34.46 2vlr s LYS 6 CO 0.63 0.11 -0.05 0.42 -0.92 0.00 0.00 175.35 175.53 2vlr s ILE 7 N -2.07 0.56 -0.05 2.17 1.01 -1.26 -1.62 121.20 119.94 2vlr s ILE 7 Ca 0.54 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.05 2vlr s ILE 7 Cb -0.10 -0.57 0.02 0.00 0.01 0.00 0.00 42.46 41.82 2vlr s ILE 7 CO 0.20 0.22 -0.06 -1.10 0.00 0.00 0.00 174.94 174.20 2vlr s GLN 8 N 0.77 0.98 -0.21 2.79 -0.21 -0.67 -5.01 119.66 118.11 2vlr s GLN 8 Ca -0.11 -0.17 -0.00 0.00 0.02 0.00 0.00 55.36 55.10 2vlr s GLN 8 Cb -0.13 -0.93 0.02 0.00 1.00 0.00 0.00 33.01 32.97 2vlr s GLN 8 CO 0.00 -0.05 -0.13 0.08 -2.12 0.00 0.00 175.29 173.08 2vlr s VAL 9 N 0.82 2.50 0.32 1.09 1.01 -1.26 -1.45 120.40 123.43 2vlr s VAL 9 Ca -0.12 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.72 2vlr s VAL 9 Cb -0.15 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.09 2vlr s VAL 9 CO 0.01 0.37 0.70 -0.72 0.00 0.00 0.00 175.10 175.46 2vlr s TYR 10 N 1.31 0.07 0.06 5.22 1.13 -1.06 -4.61 117.35 119.46 2vlr s TYR 10 Ca 0.02 -0.58 0.03 0.00 -1.41 0.00 0.00 57.07 55.14 2vlr s TYR 10 Cb -0.15 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.31 2vlr s TYR 10 CO -0.08 -1.32 0.03 -1.54 -2.51 0.00 0.00 175.55 170.13 2vlr s SER 11 N -3.01 5.25 0.18 -0.18 1.04 -1.26 -1.22 113.70 114.50 2vlr s SER 11 Ca 0.15 -0.06 -0.14 0.00 0.48 0.00 0.00 55.95 56.37 2vlr s SER 11 Cb -0.05 -1.35 0.15 0.00 0.10 0.00 0.00 66.02 64.88 2vlr s SER 11 CO 0.10 0.21 1.70 -0.09 0.98 0.00 0.00 173.24 176.13 2vlr h ARG 12 N 3.65 0.14 -6.01 4.02 2.43 -1.85 -3.44 114.38 113.33 2vlr h ARG 12 Ca -0.48 -0.01 -0.59 0.00 -0.81 0.00 0.00 59.98 58.10 2vlr h ARG 12 Cb 1.17 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 30.58 2vlr h ARG 12 CO 0.61 0.10 -0.62 -1.01 -1.51 0.00 0.00 179.97 177.54 2vlr s HIS 13 N -6.16 2.54 0.07 2.20 3.76 -1.26 -5.06 115.29 111.39 2vlr s HIS 13 Ca -0.13 -0.44 -0.30 0.00 -0.15 0.00 0.00 55.06 54.03 2vlr s HIS 13 Cb 0.15 -1.50 -0.10 0.00 1.11 0.00 0.00 32.58 32.24 2vlr s HIS 13 CO 0.72 0.47 1.93 -2.30 -0.85 0.00 0.00 174.74 174.71 2vlr n PRO 14 N -0.95 2.87 -1.73 8.40 -0.02 -1.26 -4.89 135.00 137.41 2vlr n PRO 14 Ca -0.04 1.05 -0.41 0.00 -2.02 0.00 0.00 63.50 62.07 2vlr n PRO 14 Cb 0.62 -2.99 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 2vlr n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vlr n ALA 15 N 6.81 1.65 -3.63 3.55 0.00 -1.26 -5.03 120.51 122.60 2vlr n ALA 15 Ca 0.19 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 2vlr n ALA 15 Cb 0.40 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 2vlr n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2vlr s GLU 16 N -2.12 0.48 0.02 0.00 2.12 -1.26 -5.11 118.70 112.83 2vlr s GLU 16 Ca 0.57 0.86 -0.30 0.00 0.36 0.00 0.00 54.97 56.46 2vlr s GLU 16 Cb -0.51 0.06 -0.07 0.00 0.26 0.00 0.00 34.13 33.86 2vlr s GLU 16 CO 0.61 -0.14 1.64 -0.80 -0.54 0.00 0.00 175.26 176.03 2vlr s ASN 17 N 1.26 6.65 0.00 -1.70 0.01 -1.26 -2.79 114.94 117.10 2vlr s ASN 17 Ca -0.08 2.37 0.00 0.00 -0.71 0.00 0.00 52.86 54.43 2vlr s ASN 17 Cb -0.07 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.04 2vlr s ASN 17 CO -0.12 -0.89 0.00 0.61 -1.51 0.00 0.00 177.10 175.19 2vlr n GLY 18 N 4.04 0.85 3.79 0.66 0.00 -0.68 -5.03 105.19 108.81 2vlr n GLY 18 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.52 2.89 0.36 1.61 2.20 -1.12 -5.01 119.74 120.16 2vlr s LYS 19 Ca 0.00 -0.83 -0.26 0.00 -0.36 0.00 0.00 55.97 54.52 2vlr s LYS 19 Cb 0.00 -2.66 -0.09 0.00 -1.51 0.00 0.00 37.83 33.57 2vlr s LYS 19 CO 0.00 0.50 1.11 0.45 -0.36 0.00 0.00 175.35 177.05 2vlr s SER 20 N -2.95 6.83 0.00 1.43 0.15 -1.26 -4.21 113.70 113.69 2vlr s SER 20 Ca 0.31 2.21 0.00 0.00 0.70 0.00 0.00 55.95 59.17 2vlr s SER 20 Cb -0.10 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 2vlr s SER 20 CO 0.23 -0.45 0.00 -3.20 1.20 0.00 0.00 173.24 171.02 2vlr n ASN 21 N 0.35 0.00 -3.93 5.45 2.85 -1.01 -5.03 115.26 113.94 2vlr n ASN 21 Ca 0.03 -0.92 -0.17 0.00 -0.11 0.00 0.00 54.58 53.40 2vlr n ASN 21 Cb 0.47 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.34 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 -7.77 0.53 -0.18 1.20 0.40 -1.26 -3.00 117.98 107.89 2vlr s PHE 22 Ca 0.00 -0.11 -0.14 0.00 -0.60 0.00 0.00 56.93 56.08 2vlr s PHE 22 Cb 0.00 -0.40 -0.04 0.00 0.51 0.00 0.00 43.02 43.08 2vlr s PHE 22 CO 0.00 -0.06 0.30 -1.17 0.70 0.00 0.00 175.22 174.99 2vlr s LEU 23 N 0.22 4.20 -0.01 -0.37 2.96 0.15 -2.25 118.68 123.57 2vlr s LEU 23 Ca -0.02 0.45 0.06 0.00 -0.22 0.00 0.00 54.13 54.39 2vlr s LEU 23 Cb -0.06 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.23 2vlr s LEU 23 CO -0.00 0.04 -0.19 0.20 -1.32 0.00 0.00 176.35 175.08 2vlr s ASN 24 N 0.73 3.70 -0.27 3.68 0.01 -0.36 -1.84 114.94 120.59 2vlr s ASN 24 Ca 0.16 -0.34 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 2vlr s ASN 24 Cb -0.13 -0.64 0.07 0.00 0.41 0.00 0.00 41.25 40.96 2vlr s ASN 24 CO 0.05 0.31 -0.01 0.00 -1.51 0.00 0.00 177.10 175.94 2vlr s TYR 26 N 1.32 3.18 -0.15 0.00 5.04 -0.53 -1.05 117.35 125.16 2vlr s TYR 26 Ca -0.00 0.59 -0.04 0.00 -2.44 0.00 0.00 57.07 55.17 2vlr s TYR 26 Cb -0.19 -3.13 -0.03 0.00 0.35 0.00 0.00 41.96 38.96 2vlr s TYR 26 CO -0.09 -0.56 -0.01 0.14 -1.34 0.00 0.00 175.55 173.69 2vlr s VAL 27 N 2.78 4.17 0.15 3.14 -7.23 -0.70 -1.66 120.40 121.04 2vlr s VAL 27 Ca 0.28 -0.26 -0.10 0.00 -1.81 0.00 0.00 61.98 60.08 2vlr s VAL 27 Cb -0.14 -2.83 0.00 0.00 0.56 0.00 0.00 36.38 33.97 2vlr s VAL 27 CO 0.13 0.50 0.30 -0.94 -0.31 0.00 0.00 175.10 174.78 2vlr s SER 28 N 0.20 0.00 -0.46 4.85 1.04 -0.64 -1.54 113.70 117.16 2vlr s SER 28 Ca -0.00 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.69 2vlr s SER 28 Cb -0.13 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2vlr s SER 28 CO 0.02 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2vlr n GLY 29 N -0.20 0.69 3.87 7.32 0.00 -0.71 -0.70 105.19 115.47 2vlr n GLY 29 Ca -0.10 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.17 3.27 -0.28 1.61 -0.71 -1.19 -4.55 117.98 113.96 2vlr s PHE 30 Ca 0.00 -0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 55.69 2vlr s PHE 30 Cb 0.00 -1.52 0.09 0.00 -1.21 0.00 0.00 43.02 40.38 2vlr s PHE 30 CO 0.00 0.50 0.78 -1.58 -1.34 0.00 0.00 175.22 173.58 2vlr s HIS 31 N -1.92 -0.88 1.16 3.49 2.46 -0.91 -2.13 115.29 116.56 2vlr s HIS 31 Ca 0.33 1.83 -0.17 0.00 0.47 0.00 0.00 55.06 57.52 2vlr s HIS 31 Cb -0.09 0.50 0.27 0.00 -0.13 0.00 0.00 32.58 33.12 2vlr s HIS 31 CO 0.26 -0.43 1.09 -1.25 -2.47 0.00 0.00 174.74 171.94 2vlr s PRO 32 N 1.27 -0.88 0.34 2.88 0.04 -1.26 -1.49 135.00 135.90 2vlr s PRO 32 Ca -0.07 0.12 0.27 0.00 0.04 0.00 0.00 61.00 61.35 2vlr s PRO 32 Cb -0.05 -1.62 0.94 0.00 0.04 0.00 0.00 34.50 33.81 2vlr s PRO 32 CO -0.15 -3.52 1.78 0.66 0.04 0.00 0.00 177.00 175.81 2vlr h SER 33 N -2.45 0.00 -2.76 6.66 4.64 -2.00 -3.44 113.55 114.19 2vlr h SER 33 Ca -0.48 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 2vlr h SER 33 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2vlr h SER 33 CO 0.41 0.00 0.96 -0.62 -0.87 0.00 0.00 176.83 176.71 2vlr s ASP 34 N -4.94 6.76 0.07 4.97 -1.08 -1.26 -4.99 116.67 116.20 2vlr s ASP 34 Ca 0.05 2.16 -0.15 0.00 -0.52 0.00 0.00 52.55 54.09 2vlr s ASP 34 Cb 0.09 -2.55 0.03 0.00 -1.46 0.00 0.00 42.92 39.03 2vlr s ASP 34 CO 0.52 -0.83 0.35 -0.51 0.52 0.00 0.00 175.17 175.22 2vlr s ILE 35 N 3.19 0.08 -0.09 4.11 2.07 -1.26 -4.64 121.20 124.66 2vlr s ILE 35 Ca 0.68 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 59.28 2vlr s ILE 35 Cb -0.32 -1.05 0.02 0.00 0.13 0.00 0.00 42.46 41.24 2vlr s ILE 35 CO 0.27 -0.36 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.17 2vlr s GLU 36 N -3.01 1.37 -0.14 3.50 2.12 -1.02 -5.01 118.70 116.51 2vlr s GLU 36 Ca -0.02 -0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.08 2vlr s GLU 36 Cb 0.01 -1.37 0.03 0.00 0.26 0.00 0.00 34.13 33.05 2vlr s GLU 36 CO -0.06 -0.17 -0.07 0.08 -0.54 0.00 0.00 175.26 174.49 2vlr s VAL 37 N 1.37 1.13 0.02 3.70 1.01 -1.26 -1.42 120.40 124.95 2vlr s VAL 37 Ca -0.02 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2vlr s VAL 37 Cb -0.14 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 2vlr s VAL 37 CO -0.04 0.28 0.08 -1.81 0.00 0.00 0.00 175.10 173.62 2vlr s ASP 38 N 1.65 5.65 -0.14 3.32 1.01 0.22 -4.98 116.67 123.40 2vlr s ASP 38 Ca 0.03 0.10 -0.10 0.00 0.71 0.00 0.00 52.55 53.29 2vlr s ASP 38 Cb -0.14 -1.59 -0.05 0.00 1.01 0.00 0.00 42.92 42.15 2vlr s ASP 38 CO -0.08 0.24 0.20 -0.76 0.21 0.00 0.00 175.17 174.98 2vlr s LEU 39 N -1.96 4.31 -0.10 1.23 1.43 -1.26 -1.04 118.68 121.29 2vlr s LEU 39 Ca 0.25 0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.83 2vlr s LEU 39 Cb -0.12 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 2vlr s LEU 39 CO 0.17 0.25 -0.15 -0.76 0.23 0.00 0.00 176.35 176.09 2vlr s LEU 40 N -0.24 2.64 -0.25 1.79 1.43 -0.15 -1.08 118.68 122.82 2vlr s LEU 40 Ca 0.14 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2vlr s LEU 40 Cb -0.12 -1.56 0.02 0.00 0.03 0.00 0.00 46.19 44.55 2vlr s LEU 40 CO 0.03 0.22 -0.05 -0.75 0.23 0.00 0.00 176.35 176.04 2vlr s LYS 41 N -0.00 2.92 -0.87 1.70 2.20 0.57 -1.86 119.74 124.40 2vlr s LYS 41 Ca -0.04 -0.93 -0.04 0.00 -0.36 0.00 0.00 55.97 54.60 2vlr s LYS 41 Cb -0.14 -3.02 0.03 0.00 -1.51 0.00 0.00 37.83 33.19 2vlr s LYS 41 CO 0.04 -0.38 0.17 0.09 -0.36 0.00 0.00 175.35 174.91 2vlr n ASN 42 N 4.70 -2.95 0.00 1.43 3.02 -0.85 -1.70 115.26 118.91 2vlr n ASN 42 Ca -0.17 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2vlr n ASN 42 Cb 0.48 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 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 -0.84 0.65 3.49 7.41 0.00 -1.26 -5.07 105.19 109.56 2vlr n GLY 43 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.78 2.45 0.10 1.61 2.02 -0.69 -5.05 118.70 118.36 2vlr s GLU 44 Ca 0.00 -0.74 -0.36 0.00 0.02 0.00 0.00 54.97 53.89 2vlr s GLU 44 Cb 0.00 -2.37 -0.16 0.00 0.10 0.00 0.00 34.13 31.70 2vlr s GLU 44 CO 0.00 0.61 1.33 -2.13 0.02 0.00 0.00 175.26 175.09 2vlr n ARG 45 N 2.12 1.21 -3.20 1.61 0.63 -1.26 -0.31 116.66 117.45 2vlr n ARG 45 Ca -0.17 0.44 -0.39 0.00 -0.92 0.00 0.00 57.85 56.81 2vlr n ARG 45 Cb 0.52 -2.07 -0.06 0.00 0.45 0.00 0.00 32.46 31.30 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 0.43 4.76 0.09 5.15 1.01 -0.24 -4.81 121.20 127.59 2vlr s ILE 46 Ca 0.83 1.31 -0.03 0.00 0.00 0.00 0.00 60.65 62.75 2vlr s ILE 46 Cb -0.93 -3.95 -0.25 0.00 0.01 0.00 0.00 42.46 37.34 2vlr s ILE 46 CO 0.47 0.49 1.20 -0.33 0.00 0.00 0.00 174.94 176.76 2vlr h GLU 47 N 5.00 0.27 -3.56 2.79 5.08 -1.94 -3.42 114.58 118.80 2vlr h GLU 47 Ca -0.47 -0.41 -0.72 0.00 -1.00 0.00 0.00 59.36 56.76 2vlr h GLU 47 Cb 1.21 0.14 -0.33 0.00 0.50 0.00 0.00 28.75 30.27 2vlr h GLU 47 CO 0.66 1.17 -0.21 0.15 -1.00 0.00 0.00 179.01 179.78 2vlr s LYS 48 N -2.80 2.94 -0.04 2.33 3.01 -1.26 -5.03 119.74 118.89 2vlr s LYS 48 Ca -0.04 -2.69 0.04 0.00 -1.01 0.00 0.00 55.97 52.27 2vlr s LYS 48 Cb 0.08 -3.92 -0.00 0.00 -1.01 0.00 0.00 37.83 32.97 2vlr s LYS 48 CO 0.87 -1.22 -0.16 0.08 0.51 0.00 0.00 175.35 175.44 2vlr s VAL 49 N -0.32 1.34 0.29 3.17 1.01 -1.26 -4.67 120.40 119.95 2vlr s VAL 49 Ca 0.20 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.59 2vlr s VAL 49 Cb -0.16 -1.15 -0.06 0.00 0.00 0.00 0.00 36.38 35.02 2vlr s VAL 49 CO -0.06 0.39 -0.10 -1.61 0.00 0.00 0.00 175.10 173.71 2vlr s GLU 50 N -0.00 1.61 0.08 2.72 2.02 -0.83 -4.99 118.70 119.31 2vlr s GLU 50 Ca -0.02 -1.79 0.01 0.00 0.02 0.00 0.00 54.97 53.18 2vlr s GLU 50 Cb -0.10 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.69 2vlr s GLU 50 CO 0.02 0.14 -0.06 -3.38 0.02 0.00 0.00 175.26 171.99 2vlr s HIS 51 N -2.82 0.74 0.98 1.61 -3.43 -1.26 -1.52 115.29 109.59 2vlr s HIS 51 Ca 0.29 -0.87 -0.12 0.00 -0.80 0.00 0.00 55.06 53.56 2vlr s HIS 51 Cb 0.01 -0.45 0.18 0.00 -1.43 0.00 0.00 32.58 30.88 2vlr s HIS 51 CO 0.13 -0.19 1.10 -1.54 -2.00 0.00 0.00 174.74 172.23 2vlr s SER 52 N -2.72 2.82 0.28 7.38 1.04 -0.76 -4.99 113.70 116.74 2vlr s SER 52 Ca 0.06 1.19 -0.29 0.00 0.48 0.00 0.00 55.95 57.39 2vlr s SER 52 Cb 0.03 -1.84 -0.10 0.00 0.10 0.00 0.00 66.02 64.21 2vlr s SER 52 CO -0.05 -3.01 1.19 -1.81 0.98 0.00 0.00 173.24 170.54 2vlr s ASP 53 N -3.53 7.07 0.02 7.02 1.01 -1.26 -4.80 116.67 122.19 2vlr s ASP 53 Ca 0.65 2.41 -0.35 0.00 0.71 0.00 0.00 52.55 55.97 2vlr s ASP 53 Cb -0.18 -2.63 -0.14 0.00 1.01 0.00 0.00 42.92 40.98 2vlr s ASP 53 CO 0.57 -0.31 1.67 -0.11 0.21 0.00 0.00 175.17 177.20 2vlr n LEU 54 N 1.28 2.97 -4.28 1.23 7.94 -1.26 -4.94 117.00 119.93 2vlr n LEU 54 Ca 0.00 1.05 -0.18 0.00 -1.11 0.00 0.00 56.01 55.77 2vlr n LEU 54 Cb 0.44 -1.35 -0.09 0.00 0.53 0.00 0.00 43.42 42.95 2vlr n LEU 54 CO 0.56 -0.31 -0.17 -0.55 -1.11 0.00 0.00 177.39 175.81 2vlr s SER 55 N 2.26 1.28 0.08 1.96 0.15 -1.24 -5.06 113.70 113.13 2vlr s SER 55 Ca 0.86 -1.62 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 2vlr s SER 55 Cb -0.76 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.03 2vlr s SER 55 CO 0.47 -0.96 0.23 0.72 1.20 0.00 0.00 173.24 174.89 2vlr s PHE 56 N -3.66 0.06 0.65 3.44 -0.12 -1.26 -1.90 117.98 115.18 2vlr s PHE 56 Ca 0.39 -0.41 0.02 0.00 -0.05 0.00 0.00 56.93 56.87 2vlr s PHE 56 Cb 0.04 0.00 0.10 0.00 -0.63 0.00 0.00 43.02 42.53 2vlr s PHE 56 CO 0.21 -0.54 0.89 -1.12 -0.05 0.00 0.00 175.22 174.61 2vlr s SER 57 N -2.63 4.73 0.20 1.98 0.01 -0.41 -4.94 113.70 112.64 2vlr s SER 57 Ca 0.02 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 56.76 2vlr s SER 57 Cb 0.03 -0.16 0.24 0.00 0.21 0.00 0.00 66.02 66.34 2vlr s SER 57 CO -0.09 -1.57 1.29 1.17 0.41 0.00 0.00 173.24 174.45 2vlr n LYS 58 N -2.58 -0.17 -0.11 12.44 4.81 -1.26 -1.01 118.16 130.29 2vlr n LYS 58 Ca 0.13 1.29 0.01 0.00 -0.87 0.00 0.00 58.31 58.87 2vlr n LYS 58 Cb 0.60 -1.91 0.06 0.00 0.02 0.00 0.00 35.03 33.80 2vlr n LYS 58 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2vlr n ASP 59 N -5.25 1.31 0.00 3.14 5.75 -1.26 -4.88 116.55 115.35 2vlr n ASP 59 Ca 0.09 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 2vlr n ASP 59 Cb 0.35 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 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 -0.00 0.00 -2.69 2.11 7.02 -0.18 -5.03 117.44 118.67 2vlr n TRP 60 Ca 0.04 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.17 2vlr n TRP 60 Cb 0.28 -0.16 -0.05 0.00 -2.42 0.00 0.00 31.31 28.96 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 -3.55 6.82 0.48 -0.99 1.04 -1.26 -4.67 113.70 111.57 2vlr s SER 61 Ca 0.00 1.84 -0.08 0.00 0.48 0.00 0.00 55.95 58.19 2vlr s SER 61 Cb 0.00 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2vlr s SER 61 CO 0.00 -0.44 0.83 -0.36 0.98 0.00 0.00 173.24 174.25 2vlr s PHE 62 N -1.93 3.55 0.02 5.02 0.08 -0.90 -1.29 117.98 122.52 2vlr s PHE 62 Ca 0.60 0.98 -0.07 0.00 0.12 0.00 0.00 56.93 58.56 2vlr s PHE 62 Cb -0.15 -2.42 -0.00 0.00 -0.57 0.00 0.00 43.02 39.87 2vlr s PHE 62 CO 0.19 -0.30 0.13 1.52 -0.10 0.00 0.00 175.22 176.66 2vlr s TYR 63 N -2.71 0.09 -0.03 0.36 -0.85 -0.80 -1.74 117.35 111.67 2vlr s TYR 63 Ca 0.50 -0.27 -0.12 0.00 -0.52 0.00 0.00 57.07 56.66 2vlr s TYR 63 Cb -0.10 -0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.18 2vlr s TYR 63 CO 0.42 -0.33 0.26 -0.51 -1.52 0.00 0.00 175.55 173.88 2vlr s LEU 64 N -1.72 1.03 -0.17 -3.49 1.43 -0.59 -3.62 118.68 111.56 2vlr s LEU 64 Ca -0.10 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2vlr s LEU 64 Cb -0.05 1.06 -0.01 0.00 0.03 0.00 0.00 46.19 47.22 2vlr s LEU 64 CO -0.01 -0.35 -0.09 -0.22 0.23 0.00 0.00 176.35 175.92 2vlr s LEU 65 N -0.99 2.84 -0.10 1.79 2.96 -1.26 -1.73 118.68 122.19 2vlr s LEU 65 Ca -0.11 -0.33 -0.02 0.00 -0.22 0.00 0.00 54.13 53.45 2vlr s LEU 65 Cb -0.05 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.93 2vlr s LEU 65 CO 0.03 0.09 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.83 2vlr s TYR 66 N 0.79 3.13 -0.06 5.38 1.51 -0.22 -1.83 117.35 126.04 2vlr s TYR 66 Ca -0.03 0.09 -0.15 0.00 -1.01 0.00 0.00 57.07 55.96 2vlr s TYR 66 Cb -0.15 -1.83 0.03 0.00 -0.11 0.00 0.00 41.96 39.90 2vlr s TYR 66 CO 0.01 0.35 0.36 1.52 -1.11 0.00 0.00 175.55 176.68 2vlr s TYR 67 N -0.56 -0.29 -0.01 2.71 -0.85 -0.58 -0.06 117.35 117.70 2vlr s TYR 67 Ca 0.09 0.59 -0.13 0.00 -0.52 0.00 0.00 57.07 57.10 2vlr s TYR 67 Cb -0.12 0.13 0.02 0.00 0.38 0.00 0.00 41.96 42.37 2vlr s TYR 67 CO 0.02 -0.34 0.28 -0.08 -1.52 0.00 0.00 175.55 173.91 2vlr s THR 68 N -0.78 0.06 0.03 -3.49 -1.32 -0.77 -1.96 115.64 107.42 2vlr s THR 68 Ca -0.09 -0.50 -0.30 0.00 -1.21 0.00 0.00 61.69 59.59 2vlr s THR 68 Cb -0.04 -0.57 -0.04 0.00 -1.51 0.00 0.00 72.50 70.34 2vlr s THR 68 CO 0.03 -0.28 1.07 -0.70 -2.21 0.00 0.00 174.62 172.54 2vlr s GLU 69 N -1.29 4.51 0.22 7.08 2.12 -1.26 -0.67 118.70 129.41 2vlr s GLU 69 Ca -0.13 1.57 -0.00 0.00 0.36 0.00 0.00 54.97 56.76 2vlr s GLU 69 Cb -0.06 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2vlr s GLU 69 CO 0.04 -0.12 0.12 -0.59 -0.54 0.00 0.00 175.26 174.17 2vlr s PHE 70 N 0.96 1.29 -0.29 5.30 -0.71 -1.16 -4.91 117.98 118.45 2vlr s PHE 70 Ca 0.54 -1.32 0.00 0.00 -1.04 0.00 0.00 56.93 55.12 2vlr s PHE 70 Cb -0.25 -0.67 0.09 0.00 -1.21 0.00 0.00 43.02 40.98 2vlr s PHE 70 CO 0.29 -0.54 0.05 0.99 -1.34 0.00 0.00 175.22 174.67 2vlr s THR 71 N -4.02 1.30 0.19 -4.49 2.01 -1.26 -2.40 115.64 106.96 2vlr s THR 71 Ca 0.39 -1.51 -0.32 0.00 0.31 0.00 0.00 61.69 60.56 2vlr s THR 71 Cb 0.07 -1.87 -0.12 0.00 0.01 0.00 0.00 72.50 70.59 2vlr s THR 71 CO 0.13 -0.50 1.73 -2.16 -0.69 0.00 0.00 174.62 173.13 2vlr s PRO 72 N 1.43 4.13 0.48 4.92 0.04 -1.26 -4.83 135.00 139.91 2vlr s PRO 72 Ca 0.06 2.60 0.06 0.00 0.04 0.00 0.00 61.00 63.76 2vlr s PRO 72 Cb -0.18 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2vlr s PRO 72 CO -0.16 -0.76 0.33 0.95 0.04 0.00 0.00 177.00 177.40 2vlr s THR 73 N 1.44 2.03 0.28 1.26 -4.23 -1.26 -1.69 115.64 113.47 2vlr s THR 73 Ca 0.76 -1.52 -0.00 0.00 -1.18 0.00 0.00 61.69 59.74 2vlr s THR 73 Cb -0.49 -2.55 0.12 0.00 1.34 0.00 0.00 72.50 70.92 2vlr s THR 73 CO 0.33 0.00 1.78 -0.08 -0.54 0.00 0.00 174.62 176.11 2vlr h GLU 74 N 0.99 0.73 0.02 3.99 4.81 -1.98 -3.33 114.58 119.81 2vlr h GLU 74 Ca -0.39 -0.19 -0.37 0.00 -0.13 0.00 0.00 59.36 58.28 2vlr h GLU 74 Cb 1.28 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 2vlr h GLU 74 CO 0.61 0.74 -2.26 1.63 -0.73 0.00 0.00 179.01 179.00 2vlr n LYS 75 N -4.23 0.68 -1.92 1.92 4.76 -1.26 -5.00 118.16 113.11 2vlr n LYS 75 Ca 0.02 0.13 -0.42 0.00 -2.87 0.00 0.00 58.31 55.18 2vlr n LYS 75 Cb 0.29 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 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 -6.19 6.58 0.16 4.39 1.01 -1.25 -5.02 116.67 116.36 2vlr s ASP 76 Ca -0.20 2.60 -0.05 0.00 0.71 0.00 0.00 52.55 55.61 2vlr s ASP 76 Cb 0.07 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.36 2vlr s ASP 76 CO 0.74 -0.84 0.40 -1.61 0.21 0.00 0.00 175.17 174.07 2vlr s GLU 77 N 1.45 3.63 -0.01 8.23 2.02 -1.26 -4.79 118.70 127.96 2vlr s GLU 77 Ca 0.71 -0.07 -0.02 0.00 0.02 0.00 0.00 54.97 55.62 2vlr s GLU 77 Cb -0.43 -2.81 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2vlr s GLU 77 CO 0.31 0.43 0.04 0.71 0.02 0.00 0.00 175.26 176.77 2vlr s TYR 78 N -1.72 0.01 0.18 1.61 2.02 -1.26 -2.00 117.35 116.18 2vlr s TYR 78 Ca 0.42 -0.01 -0.08 0.00 -0.37 0.00 0.00 57.07 57.03 2vlr s TYR 78 Cb -0.12 -0.02 -0.01 0.00 -0.40 0.00 0.00 41.96 41.41 2vlr s TYR 78 CO 0.25 -0.06 0.29 0.00 -1.57 0.00 0.00 175.55 174.45 2vlr s ALA 79 N -0.30 0.11 -0.06 3.71 0.00 -0.78 -1.22 121.76 123.23 2vlr s ALA 79 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2vlr s ALA 79 Cb -0.02 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 2vlr s ALA 79 CO -0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 175.76 175.02 2vlr s ARG 81 N -0.87 1.65 0.04 0.00 3.52 -0.21 -1.70 118.95 121.38 2vlr s ARG 81 Ca 0.13 -0.31 0.07 0.00 -0.13 0.00 0.00 55.73 55.50 2vlr s ARG 81 Cb -0.11 -1.66 -0.02 0.00 -1.56 0.00 0.00 34.95 31.60 2vlr s ARG 81 CO 0.02 -0.25 -0.21 0.08 -0.81 0.00 0.00 175.30 174.13 2vlr s VAL 82 N 1.64 1.67 0.02 7.11 1.01 -0.91 -0.61 120.40 130.33 2vlr s VAL 82 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.86 2vlr s VAL 82 Cb -0.13 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2vlr s VAL 82 CO -0.08 0.23 -0.06 0.21 0.00 0.00 0.00 175.10 175.40 2vlr s ASN 83 N -1.12 0.60 0.11 3.32 3.04 -0.51 -1.23 114.94 119.15 2vlr s ASN 83 Ca 0.07 -0.37 -0.15 0.00 0.04 0.00 0.00 52.86 52.46 2vlr s ASN 83 Cb -0.09 0.02 0.03 0.00 -1.54 0.00 0.00 41.25 39.67 2vlr s ASN 83 CO 0.02 -0.13 0.36 -2.28 -3.04 0.00 0.00 177.10 172.03 2vlr s HIS 84 N -0.94 -0.14 0.19 0.43 2.46 -1.26 -2.43 115.29 113.59 2vlr s HIS 84 Ca -0.07 -0.17 0.33 0.00 0.47 0.00 0.00 55.06 55.62 2vlr s HIS 84 Cb -0.07 0.20 1.74 0.00 -0.13 0.00 0.00 32.58 34.31 2vlr s HIS 84 CO -0.00 -0.66 2.01 -0.24 -2.47 0.00 0.00 174.74 173.38 2vlr h VAL 85 N 2.50 0.00 0.00 0.89 3.04 -1.95 -2.66 116.25 118.07 2vlr h VAL 85 Ca -0.34 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 2vlr h VAL 85 Cb 1.24 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2vlr h VAL 85 CO 0.48 0.00 -0.59 0.71 -1.01 0.00 0.00 177.57 177.16 2vlr h THR 86 N 0.00 0.00 -3.07 3.17 1.35 -1.92 -3.45 112.91 108.98 2vlr h THR 86 Ca 0.00 -0.87 -0.61 0.00 -0.55 0.00 0.00 66.41 64.38 2vlr h THR 86 Cb 0.08 1.55 -0.08 0.00 -1.73 0.00 0.00 68.15 67.96 2vlr h THR 86 CO 0.00 0.00 -0.34 -0.76 -0.25 0.00 0.00 175.52 174.17 2vlr s LEU 87 N -5.31 4.33 0.19 3.87 1.43 -1.00 -5.02 118.68 117.17 2vlr s LEU 87 Ca 0.04 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 2vlr s LEU 87 Cb 0.09 -2.33 0.10 0.00 0.03 0.00 0.00 46.19 44.08 2vlr s LEU 87 CO 0.73 0.23 1.46 0.77 0.23 0.00 0.00 176.35 179.77 2vlr h SER 88 N 5.82 0.36 -4.99 2.29 4.64 -1.88 -3.43 113.55 116.37 2vlr h SER 88 Ca -0.47 -0.24 -0.16 0.00 -0.47 0.00 0.00 61.79 60.44 2vlr h SER 88 Cb 1.19 -0.11 -0.16 0.00 -0.31 0.00 0.00 62.40 63.02 2vlr h SER 88 CO 0.68 0.97 -0.69 -1.10 -0.87 0.00 0.00 176.83 175.82 2vlr s GLN 89 N -3.55 0.66 0.97 4.77 1.11 -1.26 -5.13 119.66 117.23 2vlr s GLN 89 Ca -0.04 -1.20 -0.14 0.00 0.01 0.00 0.00 55.36 53.99 2vlr s GLN 89 Cb 0.11 0.04 0.03 0.00 -1.01 0.00 0.00 33.01 32.18 2vlr s GLN 89 CO 0.82 -0.07 0.28 -2.30 0.01 0.00 0.00 175.29 174.03 2vlr n PRO 90 N 0.21 -0.38 -3.94 2.91 -0.02 -1.26 -4.93 135.00 127.59 2vlr n PRO 90 Ca -0.14 -0.07 -0.19 0.00 -2.02 0.00 0.00 63.50 61.08 2vlr n PRO 90 Cb 0.60 -1.78 -0.16 0.00 -0.02 0.00 0.00 33.50 32.14 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 -3.50 0.43 -0.16 -0.52 2.20 -0.37 -4.96 119.74 112.87 2vlr s LYS 91 Ca 0.55 0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 56.17 2vlr s LYS 91 Cb -0.20 -0.62 -0.03 0.00 -1.51 0.00 0.00 37.83 35.46 2vlr s LYS 91 CO 0.68 -0.16 0.02 0.42 -0.36 0.00 0.00 175.35 175.96 2vlr s ILE 92 N 1.18 4.42 -0.14 5.43 1.01 -1.26 -2.14 121.20 129.71 2vlr s ILE 92 Ca -0.07 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2vlr s ILE 92 Cb -0.13 -2.95 0.02 0.00 0.01 0.00 0.00 42.46 39.40 2vlr s ILE 92 CO -0.02 0.50 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 2vlr s VAL 93 N 0.17 1.60 0.24 2.92 1.01 -0.69 -4.98 120.40 120.67 2vlr s VAL 93 Ca 0.02 -0.67 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 2vlr s VAL 93 Cb -0.13 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 2vlr s VAL 93 CO 0.01 0.46 0.83 -0.75 0.00 0.00 0.00 175.10 175.66 2vlr s LYS 94 N 1.26 4.51 0.97 2.72 2.20 -1.26 -1.17 119.74 128.96 2vlr s LYS 94 Ca 0.00 1.16 -0.12 0.00 -0.36 0.00 0.00 55.97 56.65 2vlr s LYS 94 Cb -0.14 -3.00 0.17 0.00 -1.51 0.00 0.00 37.83 33.35 2vlr s LYS 94 CO -0.07 0.42 1.09 -0.46 -0.36 0.00 0.00 175.35 175.97 2vlr s TRP 95 N -1.41 1.97 -0.24 4.03 -0.00 -0.36 -4.92 118.94 118.01 2vlr s TRP 95 Ca 0.43 1.30 -0.03 0.00 -0.00 0.00 0.00 56.10 57.80 2vlr s TRP 95 Cb -0.20 -3.18 0.13 0.00 -0.00 0.00 0.00 33.47 30.22 2vlr s TRP 95 CO 0.24 -2.84 0.38 0.34 -0.00 0.00 0.00 176.95 175.07 2vlr s ASP 96 N -3.10 0.20 0.15 5.86 -1.08 -1.26 -4.92 116.67 112.52 2vlr s ASP 96 Ca 0.65 0.30 0.04 0.00 -0.52 0.00 0.00 52.55 53.02 2vlr s ASP 96 Cb -0.20 1.13 0.44 0.00 -1.46 0.00 0.00 42.92 42.83 2vlr s ASP 96 CO 0.59 -0.29 0.72 -1.14 0.52 0.00 0.00 175.17 175.57 2vlr n ARG 97 N 5.37 -0.03 -1.26 4.34 3.00 -1.26 -0.76 116.66 126.05 2vlr n ARG 97 Ca -0.04 0.67 -0.15 0.00 -0.00 0.00 0.00 57.85 58.33 2vlr n ARG 97 Cb 0.50 -1.11 0.13 0.00 0.00 0.00 0.00 32.46 31.98 2vlr n ARG 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2vlr n ASP 98 N -4.34 4.00 0.00 6.15 4.64 -1.26 -4.63 116.55 121.11 2vlr n ASP 98 Ca 0.13 -3.79 0.00 0.00 -1.38 0.00 0.00 54.79 49.75 2vlr n ASP 98 Cb 0.43 -0.60 0.00 0.00 -1.04 0.00 0.00 41.12 39.92 2vlr n ASP 98 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61