#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bvp s GLN 2 N 0.00 1.73 -0.06 0.38 -0.21 -1.26 -4.89 119.66 115.35 2bvp s GLN 2 Ca 0.00 -1.78 0.02 0.00 0.02 0.00 0.00 55.36 53.62 2bvp s GLN 2 Cb 0.00 -1.78 0.01 0.00 1.00 0.00 0.00 33.01 32.24 2bvp s GLN 2 CO 0.00 0.30 -0.11 1.03 -2.12 0.00 0.00 175.29 174.39 2bvp s ARG 3 N -3.53 1.50 0.25 2.91 0.52 0.84 -4.93 118.95 116.50 2bvp s ARG 3 Ca 0.30 -0.36 -0.19 0.00 -0.52 0.00 0.00 55.73 54.97 2bvp s ARG 3 Cb -0.04 -1.27 -0.08 0.00 0.52 0.00 0.00 34.95 34.07 2bvp s ARG 3 CO 0.15 0.02 0.74 -0.08 0.02 0.00 0.00 175.30 176.16 2bvp s THR 4 N 0.65 4.56 0.31 0.02 -1.32 -1.26 -1.00 115.64 117.60 2bvp s THR 4 Ca -0.13 1.26 -0.29 0.00 -1.21 0.00 0.00 61.69 61.32 2bvp s THR 4 Cb -0.15 -3.82 -0.10 0.00 -1.51 0.00 0.00 72.50 66.92 2bvp s THR 4 CO 0.03 0.13 1.31 -2.16 -2.21 0.00 0.00 174.62 171.72 2bvp s PRO 5 N -2.17 4.36 0.45 7.08 0.04 -1.26 -4.24 135.00 139.27 2bvp s PRO 5 Ca 0.46 2.19 -0.21 0.00 0.04 0.00 0.00 61.00 63.47 2bvp s PRO 5 Cb -0.16 -3.09 -0.09 0.00 0.04 0.00 0.00 34.50 31.20 2bvp s PRO 5 CO 0.20 -0.20 1.01 0.15 0.04 0.00 0.00 177.00 178.21 2bvp s LYS 6 N -1.46 4.03 -0.05 4.56 1.02 0.85 -4.90 119.74 123.79 2bvp s LYS 6 Ca 0.51 1.32 -0.00 0.00 0.02 0.00 0.00 55.97 57.81 2bvp s LYS 6 Cb -0.39 -2.23 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 2bvp s LYS 6 CO 0.50 -0.23 0.00 0.42 -0.92 0.00 0.00 175.35 175.12 2bvp s ILE 7 N -1.96 0.26 -0.06 2.17 1.01 -1.26 -1.64 121.20 119.71 2bvp s ILE 7 Ca 0.63 0.12 0.04 0.00 0.00 0.00 0.00 60.65 61.44 2bvp s ILE 7 Cb -0.15 -0.39 -0.00 0.00 0.01 0.00 0.00 42.46 41.93 2bvp s ILE 7 CO 0.19 0.20 -0.19 -1.10 0.00 0.00 0.00 174.94 174.04 2bvp s GLN 8 N 1.51 2.19 -0.12 2.79 -0.21 -0.22 -4.98 119.66 120.63 2bvp s GLN 8 Ca -0.03 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.69 2bvp s GLN 8 Cb -0.13 -1.81 -0.00 0.00 1.00 0.00 0.00 33.01 32.07 2bvp s GLN 8 CO -0.03 0.22 -0.20 0.08 -2.12 0.00 0.00 175.29 173.24 2bvp s VAL 9 N 0.17 2.40 0.15 1.09 1.01 -1.26 0.02 120.40 123.98 2bvp s VAL 9 Ca -0.09 -0.89 -0.25 0.00 0.00 0.00 0.00 61.98 60.75 2bvp s VAL 9 Cb -0.14 -1.96 0.07 0.00 0.00 0.00 0.00 36.38 34.35 2bvp s VAL 9 CO 0.04 0.55 0.99 -0.72 0.00 0.00 0.00 175.10 175.96 2bvp s TYR 10 N 0.41 -0.09 0.20 5.22 1.13 -0.29 -4.46 117.35 119.47 2bvp s TYR 10 Ca -0.15 -0.22 0.06 0.00 -1.41 0.00 0.00 57.07 55.35 2bvp s TYR 10 Cb -0.17 0.65 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 2bvp s TYR 10 CO 0.07 -0.82 0.13 -1.54 -2.51 0.00 0.00 175.55 170.88 2bvp s SER 11 N -3.01 5.39 0.19 -0.18 1.04 -1.26 0.43 113.70 116.30 2bvp s SER 11 Ca 0.14 -0.22 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 2bvp s SER 11 Cb -0.01 -1.35 0.11 0.00 0.10 0.00 0.00 66.02 64.87 2bvp s SER 11 CO 0.02 0.04 1.80 -0.09 0.98 0.00 0.00 173.24 175.99 2bvp h ARG 12 N 2.14 0.94 -6.42 4.02 2.43 -1.46 -3.44 114.38 112.58 2bvp h ARG 12 Ca -0.48 -0.12 -0.63 0.00 -0.81 0.00 0.00 59.98 57.94 2bvp h ARG 12 Cb 1.21 -0.18 -0.16 0.00 -0.42 0.00 0.00 29.97 30.42 2bvp h ARG 12 CO 0.62 0.72 -0.79 -1.01 -1.51 0.00 0.00 179.97 178.00 2bvp s HIS 13 N -5.80 2.32 0.11 2.20 3.76 -1.26 -5.04 115.29 111.58 2bvp s HIS 13 Ca -0.13 -0.34 -0.35 0.00 -0.15 0.00 0.00 55.06 54.09 2bvp s HIS 13 Cb 0.14 -1.08 -0.17 0.00 1.11 0.00 0.00 32.58 32.58 2bvp s HIS 13 CO 0.79 0.60 1.21 -2.30 -0.85 0.00 0.00 174.74 174.18 2bvp n PRO 14 N -0.16 0.97 -2.08 8.40 -0.02 -1.26 -4.84 135.00 136.01 2bvp n PRO 14 Ca -0.09 0.35 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 2bvp n PRO 14 Cb 0.58 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 2bvp n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bvp s ALA 15 N 0.10 3.63 -0.14 3.55 0.00 -1.26 -5.01 121.76 122.62 2bvp s ALA 15 Ca 0.80 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.96 2bvp s ALA 15 Cb -0.95 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 18.67 2bvp s ALA 15 CO 0.51 -0.67 0.04 -2.00 0.00 0.00 0.00 175.76 173.64 2bvp s GLU 16 N 0.38 0.45 0.19 0.00 2.12 -1.26 -5.12 118.70 115.46 2bvp s GLU 16 Ca 0.62 -0.13 -0.33 0.00 0.36 0.00 0.00 54.97 55.49 2bvp s GLU 16 Cb -0.40 -1.59 -0.14 0.00 0.26 0.00 0.00 34.13 32.26 2bvp s GLU 16 CO 0.36 -0.53 1.42 0.09 -0.54 0.00 0.00 175.26 176.07 2bvp n ASN 17 N 5.15 2.57 0.00 -1.70 3.02 -1.26 -0.98 115.26 122.06 2bvp n ASN 17 Ca -0.07 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 2bvp n ASN 17 Cb 0.49 -1.38 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 2bvp n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bvp n GLY 18 N 2.57 1.28 3.50 7.41 0.00 0.12 -4.98 105.19 115.10 2bvp n GLY 18 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 2bvp n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bvp s LYS 19 N -0.04 3.70 0.38 1.61 -0.14 -0.15 -4.97 119.74 120.12 2bvp s LYS 19 Ca 0.00 -0.49 -0.27 0.00 -1.36 0.00 0.00 55.97 53.85 2bvp s LYS 19 Cb 0.00 -3.05 -0.11 0.00 -1.68 0.00 0.00 37.83 32.99 2bvp s LYS 19 CO 0.00 0.13 1.40 0.45 -0.76 0.00 0.00 175.35 176.57 2bvp n SER 20 N 3.90 3.32 -2.16 2.83 2.88 -1.26 -4.11 113.62 119.01 2bvp n SER 20 Ca -0.17 1.20 -0.07 0.00 -1.33 0.00 0.00 58.87 58.49 2bvp n SER 20 Cb 0.52 -1.57 -0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2bvp n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bvp n ASN 21 N 0.43 -1.11 -4.17 -3.46 2.85 0.12 -4.98 115.26 104.94 2bvp n ASN 21 Ca 0.03 -2.08 -0.29 0.00 -0.11 0.00 0.00 54.58 52.14 2bvp n ASN 21 Cb 0.38 1.94 -0.16 0.00 1.24 0.00 0.00 39.78 43.18 2bvp n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2bvp s PHE 22 N -4.27 2.04 -0.22 1.20 0.08 -1.26 -0.72 117.98 114.84 2bvp s PHE 22 Ca 0.14 -0.69 -0.14 0.00 0.12 0.00 0.00 56.93 56.35 2bvp s PHE 22 Cb -0.02 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.01 2bvp s PHE 22 CO 0.10 -0.26 0.34 -1.17 -0.10 0.00 0.00 175.22 174.13 2bvp s LEU 23 N 0.18 4.13 -0.04 -0.37 2.96 0.60 -1.03 118.68 125.12 2bvp s LEU 23 Ca -0.10 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.25 2bvp s LEU 23 Cb -0.14 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 2bvp s LEU 23 CO 0.05 -0.05 -0.16 0.20 -1.32 0.00 0.00 176.35 175.06 2bvp s ASN 24 N 1.12 3.89 -0.19 3.68 0.01 0.17 -1.32 114.94 122.29 2bvp s ASN 24 Ca 0.16 -0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.07 2bvp s ASN 24 Cb -0.15 -0.77 0.04 0.00 0.41 0.00 0.00 41.25 40.79 2bvp s ASN 24 CO 0.07 0.34 -0.08 0.00 -1.51 0.00 0.00 177.10 175.92 2bvp s TYR 26 N 1.49 3.17 -0.13 0.00 5.04 0.10 -0.37 117.35 126.66 2bvp s TYR 26 Ca -0.01 -0.57 -0.02 0.00 -2.44 0.00 0.00 57.07 54.03 2bvp s TYR 26 Cb -0.16 -2.35 -0.03 0.00 0.35 0.00 0.00 41.96 39.77 2bvp s TYR 26 CO -0.08 -0.45 -0.04 0.14 -1.34 0.00 0.00 175.55 173.78 2bvp s VAL 27 N 1.61 3.85 0.25 3.14 -7.23 0.21 -1.05 120.40 121.18 2bvp s VAL 27 Ca 0.05 -0.39 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 2bvp s VAL 27 Cb -0.17 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.11 2bvp s VAL 27 CO 0.06 0.53 0.45 -0.94 -0.31 0.00 0.00 175.10 174.89 2bvp s SER 28 N 0.02 -0.03 -0.25 4.85 1.04 -0.65 -0.31 113.70 118.36 2bvp s SER 28 Ca 0.00 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2bvp s SER 28 Cb -0.13 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2bvp s SER 28 CO 0.03 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.73 2bvp n GLY 29 N -0.38 0.48 3.91 7.32 0.00 -0.21 -0.11 105.19 116.20 2bvp n GLY 29 Ca -0.01 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2bvp n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bvp s PHE 30 N -1.75 3.38 -0.28 1.61 -0.71 -1.17 -4.31 117.98 114.75 2bvp s PHE 30 Ca 0.00 0.05 -0.17 0.00 -1.04 0.00 0.00 56.93 55.76 2bvp s PHE 30 Cb 0.00 -1.60 0.09 0.00 -1.21 0.00 0.00 43.02 40.30 2bvp s PHE 30 CO 0.00 0.50 0.76 -1.58 -1.34 0.00 0.00 175.22 173.56 2bvp s HIS 31 N -1.81 -0.93 0.38 3.49 2.46 -0.17 -0.43 115.29 118.29 2bvp s HIS 31 Ca 0.34 1.90 -0.06 0.00 0.47 0.00 0.00 55.06 57.70 2bvp s HIS 31 Cb -0.10 0.53 0.09 0.00 -0.13 0.00 0.00 32.58 32.97 2bvp s HIS 31 CO 0.27 -0.46 0.41 -0.35 -2.47 0.00 0.00 174.74 172.14 2bvp n PRO 32 N 3.93 -1.22 0.14 2.88 -0.04 -1.26 -0.11 135.00 139.32 2bvp n PRO 32 Ca -0.19 -0.64 0.08 0.00 -0.04 0.00 0.00 63.50 62.71 2bvp n PRO 32 Cb 0.58 -0.52 0.05 0.00 -0.04 0.00 0.00 33.50 33.57 2bvp n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2bvp h SER 33 N -1.19 0.00 -3.38 3.54 4.64 -1.99 -3.45 113.55 111.72 2bvp h SER 33 Ca -0.14 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.65 2bvp h SER 33 Cb 0.42 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.55 2bvp h SER 33 CO 0.10 0.19 0.69 -1.81 -0.87 0.00 0.00 176.83 175.12 2bvp s ASP 34 N -5.92 6.82 -0.22 4.97 1.01 -1.26 -4.98 116.67 117.09 2bvp s ASP 34 Ca 0.02 2.49 -0.25 0.00 0.71 0.00 0.00 52.55 55.52 2bvp s ASP 34 Cb 0.08 -2.61 0.07 0.00 1.01 0.00 0.00 42.92 41.46 2bvp s ASP 34 CO 0.75 -0.58 0.68 -0.51 0.21 0.00 0.00 175.17 175.72 2bvp s ILE 35 N 0.08 0.00 -0.21 0.77 2.07 -1.26 -4.59 121.20 118.06 2bvp s ILE 35 Ca 0.58 -0.01 -0.05 0.00 -1.41 0.00 0.00 60.65 59.76 2bvp s ILE 35 Cb -0.38 -0.96 -0.02 0.00 0.13 0.00 0.00 42.46 41.23 2bvp s ILE 35 CO 0.40 -0.00 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.71 2bvp s GLU 36 N 0.09 3.52 -0.08 3.50 2.12 0.91 -4.97 118.70 123.78 2bvp s GLU 36 Ca -0.02 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.76 2bvp s GLU 36 Cb -0.04 -3.06 0.02 0.00 0.26 0.00 0.00 34.13 31.31 2bvp s GLU 36 CO 0.02 -0.08 -0.09 0.08 -0.54 0.00 0.00 175.26 174.65 2bvp s VAL 37 N 1.23 1.00 0.01 3.70 1.01 -1.26 0.08 120.40 126.18 2bvp s VAL 37 Ca 0.03 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2bvp s VAL 37 Cb -0.15 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 2bvp s VAL 37 CO 0.00 0.34 -0.25 -1.81 0.00 0.00 0.00 175.10 173.38 2bvp s ASP 38 N 1.12 3.19 -0.15 3.32 1.01 0.53 -4.96 116.67 120.72 2bvp s ASP 38 Ca -0.06 -0.51 -0.11 0.00 0.71 0.00 0.00 52.55 52.58 2bvp s ASP 38 Cb -0.14 -0.36 -0.05 0.00 1.01 0.00 0.00 42.92 43.38 2bvp s ASP 38 CO -0.01 0.29 0.21 -0.76 0.21 0.00 0.00 175.17 175.11 2bvp s LEU 39 N -0.95 4.28 -0.07 1.23 1.43 -1.26 0.14 118.68 123.47 2bvp s LEU 39 Ca 0.11 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 2bvp s LEU 39 Cb -0.10 -2.22 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 2bvp s LEU 39 CO 0.01 0.21 -0.14 -0.76 0.23 0.00 0.00 176.35 175.90 2bvp s LEU 40 N -0.01 2.73 -0.25 1.79 1.43 0.15 -0.43 118.68 124.09 2bvp s LEU 40 Ca 0.14 -0.23 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2bvp s LEU 40 Cb -0.12 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.56 2bvp s LEU 40 CO 0.02 0.29 -0.08 -0.75 0.23 0.00 0.00 176.35 176.06 2bvp s LYS 41 N -0.40 2.70 -1.40 1.70 2.20 0.71 -1.44 119.74 123.82 2bvp s LYS 41 Ca 0.05 -1.06 -0.00 0.00 -0.36 0.00 0.00 55.97 54.59 2bvp s LYS 41 Cb -0.12 -2.93 0.00 0.00 -1.51 0.00 0.00 37.83 33.27 2bvp s LYS 41 CO 0.02 -0.43 0.46 0.09 -0.36 0.00 0.00 175.35 175.13 2bvp n ASN 42 N 4.61 -0.45 0.00 1.43 3.02 0.53 -1.31 115.26 123.08 2bvp n ASN 42 Ca -0.16 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.40 2bvp n ASN 42 Cb 0.46 -3.18 0.00 0.00 -0.61 0.00 0.00 39.78 36.45 2bvp n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bvp n GLY 43 N -1.93 2.74 3.87 7.41 0.00 -1.26 -4.99 105.19 111.03 2bvp n GLY 43 Ca -0.31 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 2bvp n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bvp s GLU 44 N 0.00 3.51 0.07 1.61 2.02 -0.43 -4.99 118.70 120.49 2bvp s GLU 44 Ca 0.00 -0.07 -0.31 0.00 0.02 0.00 0.00 54.97 54.61 2bvp s GLU 44 Cb 0.00 -3.20 -0.08 0.00 0.10 0.00 0.00 34.13 30.95 2bvp s GLU 44 CO 0.00 0.76 1.58 0.50 0.02 0.00 0.00 175.26 178.12 2bvp s ARG 45 N -0.99 4.22 0.09 1.61 3.52 -1.26 -0.21 118.95 125.93 2bvp s ARG 45 Ca 0.16 2.25 -0.30 0.00 -0.13 0.00 0.00 55.73 57.70 2bvp s ARG 45 Cb -0.12 -3.54 -0.06 0.00 -1.56 0.00 0.00 34.95 29.67 2bvp s ARG 45 CO 0.05 -0.68 1.13 0.42 -0.81 0.00 0.00 175.30 175.41 2bvp s ILE 46 N 2.39 4.14 0.06 4.11 1.01 0.42 -4.87 121.20 128.45 2bvp s ILE 46 Ca 0.71 1.62 -0.15 0.00 0.00 0.00 0.00 60.65 62.83 2bvp s ILE 46 Cb -0.38 -4.04 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 2bvp s ILE 46 CO 0.31 0.17 1.16 -0.33 0.00 0.00 0.00 174.94 176.26 2bvp h GLU 47 N 6.28 0.64 -3.71 2.79 5.08 -1.93 -3.39 114.58 120.33 2bvp h GLU 47 Ca -0.42 -0.70 -0.76 0.00 -1.00 0.00 0.00 59.36 56.48 2bvp h GLU 47 Cb 1.21 0.20 -0.16 0.00 0.50 0.00 0.00 28.75 30.50 2bvp h GLU 47 CO 0.77 1.29 1.84 1.63 -1.00 0.00 0.00 179.01 183.55 2bvp n LYS 48 N -3.92 3.61 -4.86 2.33 4.01 -1.26 -4.94 118.16 113.12 2bvp n LYS 48 Ca -0.11 -3.64 -0.33 0.00 -0.51 0.00 0.00 58.31 53.73 2bvp n LYS 48 Cb 0.85 -2.93 -0.15 0.00 -0.51 0.00 0.00 35.03 32.29 2bvp n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2bvp s VAL 49 N 0.46 2.82 0.32 -0.18 1.01 -1.26 -4.58 120.40 118.99 2bvp s VAL 49 Ca 0.40 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.72 2bvp s VAL 49 Cb 0.07 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2bvp s VAL 49 CO 0.01 0.53 0.10 -1.61 0.00 0.00 0.00 175.10 174.13 2bvp s GLU 50 N 0.37 2.36 0.06 2.72 2.02 -0.44 -4.93 118.70 120.86 2bvp s GLU 50 Ca -0.12 -1.51 -0.03 0.00 0.02 0.00 0.00 54.97 53.33 2bvp s GLU 50 Cb -0.16 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 2bvp s GLU 50 CO 0.06 0.19 0.04 -3.38 0.02 0.00 0.00 175.26 172.19 2bvp s HIS 51 N -2.39 0.40 0.94 1.61 -3.43 -1.26 -0.44 115.29 110.71 2bvp s HIS 51 Ca 0.36 -0.91 -0.12 0.00 -0.80 0.00 0.00 55.06 53.59 2bvp s HIS 51 Cb -0.04 -0.28 0.15 0.00 -1.43 0.00 0.00 32.58 30.98 2bvp s HIS 51 CO 0.22 -0.43 1.10 -1.54 -2.00 0.00 0.00 174.74 172.09 2bvp s SER 52 N -2.87 3.20 0.21 7.38 1.04 0.51 -4.97 113.70 118.19 2bvp s SER 52 Ca 0.06 1.22 -0.30 0.00 0.48 0.00 0.00 55.95 57.41 2bvp s SER 52 Cb 0.07 -1.88 -0.08 0.00 0.10 0.00 0.00 66.02 64.22 2bvp s SER 52 CO -0.10 -2.78 0.97 -1.81 0.98 0.00 0.00 173.24 170.51 2bvp s ASP 53 N -3.62 7.55 -0.00 7.02 1.01 -1.26 -4.75 116.67 122.62 2bvp s ASP 53 Ca 0.64 1.95 -0.35 0.00 0.71 0.00 0.00 52.55 55.50 2bvp s ASP 53 Cb -0.17 -2.61 -0.14 0.00 1.01 0.00 0.00 42.92 41.02 2bvp s ASP 53 CO 0.56 0.05 1.69 -0.11 0.21 0.00 0.00 175.17 177.57 2bvp n LEU 54 N 1.84 2.98 -4.25 1.23 7.94 -1.26 -4.92 117.00 120.56 2bvp n LEU 54 Ca -0.01 1.04 -0.17 0.00 -1.11 0.00 0.00 56.01 55.77 2bvp n LEU 54 Cb 0.47 -1.34 -0.09 0.00 0.53 0.00 0.00 43.42 42.99 2bvp n LEU 54 CO 0.51 -0.30 -0.14 -0.55 -1.11 0.00 0.00 177.39 175.79 2bvp s SER 55 N 2.46 1.17 0.12 1.96 0.15 -1.21 -5.04 113.70 113.31 2bvp s SER 55 Ca 0.87 -1.63 -0.10 0.00 0.70 0.00 0.00 55.95 55.79 2bvp s SER 55 Cb -0.76 0.50 -0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2bvp s SER 55 CO 0.48 -1.00 0.25 0.72 1.20 0.00 0.00 173.24 174.89 2bvp s PHE 56 N -3.67 0.20 0.72 3.44 -0.12 -1.26 -1.41 117.98 115.89 2bvp s PHE 56 Ca 0.40 -0.60 -0.02 0.00 -0.05 0.00 0.00 56.93 56.66 2bvp s PHE 56 Cb 0.04 -0.02 0.12 0.00 -0.63 0.00 0.00 43.02 42.53 2bvp s PHE 56 CO 0.23 -0.63 1.00 -1.12 -0.05 0.00 0.00 175.22 174.65 2bvp s SER 57 N -2.89 4.34 0.54 1.98 0.01 0.65 -4.91 113.70 113.42 2bvp s SER 57 Ca 0.09 -0.28 0.27 0.00 1.31 0.00 0.00 55.95 57.34 2bvp s SER 57 Cb 0.04 -0.12 1.54 0.00 0.21 0.00 0.00 66.02 67.69 2bvp s SER 57 CO -0.07 -1.86 2.13 0.11 0.41 0.00 0.00 173.24 173.96 2bvp h LYS 58 N -0.56 0.00 -0.32 12.44 1.57 -2.02 0.20 116.57 127.88 2bvp h LYS 58 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 2bvp h LYS 58 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2bvp h LYS 58 CO 0.41 0.08 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 2bvp n ASP 59 N -3.77 1.61 0.00 0.86 5.68 -1.26 -4.90 116.55 114.77 2bvp n ASP 59 Ca -0.02 -2.02 0.00 0.00 -0.50 0.00 0.00 54.79 52.25 2bvp n ASP 59 Cb 0.18 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 39.95 2bvp n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2bvp n TRP 60 N 0.34 0.00 -2.62 2.11 7.02 0.72 -5.01 117.44 120.00 2bvp n TRP 60 Ca 0.10 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.23 2bvp n TRP 60 Cb 0.26 -0.18 -0.05 0.00 -2.42 0.00 0.00 31.31 28.93 2bvp n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2bvp s SER 61 N -3.01 6.64 0.46 -0.99 1.04 -1.26 -4.68 113.70 111.90 2bvp s SER 61 Ca 0.00 1.90 -0.07 0.00 0.48 0.00 0.00 55.95 58.27 2bvp s SER 61 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 2bvp s SER 61 CO 0.00 -0.57 0.78 -0.36 0.98 0.00 0.00 173.24 174.07 2bvp s PHE 62 N -1.91 3.54 -0.00 5.02 0.08 0.43 -0.25 117.98 124.88 2bvp s PHE 62 Ca 0.63 0.88 -0.06 0.00 0.12 0.00 0.00 56.93 58.50 2bvp s PHE 62 Cb -0.16 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 2bvp s PHE 62 CO 0.21 -0.23 0.11 1.52 -0.10 0.00 0.00 175.22 176.73 2bvp s TYR 63 N -2.63 0.04 -0.05 0.36 -0.85 -0.50 -1.05 117.35 112.68 2bvp s TYR 63 Ca 0.48 -0.11 -0.08 0.00 -0.52 0.00 0.00 57.07 56.84 2bvp s TYR 63 Cb -0.10 -0.05 0.02 0.00 0.38 0.00 0.00 41.96 42.20 2bvp s TYR 63 CO 0.41 -0.24 0.21 -0.51 -1.52 0.00 0.00 175.55 173.90 2bvp s LEU 64 N -1.15 1.24 -0.20 -3.49 1.43 0.58 -3.35 118.68 113.74 2bvp s LEU 64 Ca -0.12 0.20 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2bvp s LEU 64 Cb -0.07 0.79 -0.02 0.00 0.03 0.00 0.00 46.19 46.92 2bvp s LEU 64 CO 0.01 -0.21 -0.01 -0.22 0.23 0.00 0.00 176.35 176.14 2bvp s LEU 65 N -0.53 3.18 -0.07 1.79 2.96 -1.26 -0.62 118.68 124.13 2bvp s LEU 65 Ca -0.06 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.60 2bvp s LEU 65 Cb -0.04 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 2bvp s LEU 65 CO 0.01 0.06 0.02 -0.31 -1.32 0.00 0.00 176.35 174.82 2bvp s TYR 66 N 1.00 3.20 -0.02 5.38 1.51 0.50 -0.36 117.35 128.57 2bvp s TYR 66 Ca 0.01 0.21 -0.23 0.00 -1.01 0.00 0.00 57.07 56.05 2bvp s TYR 66 Cb -0.14 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 2bvp s TYR 66 CO 0.01 0.50 0.51 1.52 -1.11 0.00 0.00 175.55 176.98 2bvp s TYR 67 N -0.96 -0.43 -0.03 2.71 1.13 0.41 0.16 117.35 120.33 2bvp s TYR 67 Ca 0.15 0.68 -0.12 0.00 -1.41 0.00 0.00 57.07 56.37 2bvp s TYR 67 Cb -0.11 0.28 0.02 0.00 -1.10 0.00 0.00 41.96 41.04 2bvp s TYR 67 CO 0.05 -0.53 0.27 -0.08 -2.51 0.00 0.00 175.55 172.74 2bvp s THR 68 N -1.47 0.05 0.25 -3.49 -1.32 -0.44 -1.33 115.64 107.89 2bvp s THR 68 Ca -0.11 -0.40 -0.30 0.00 -1.21 0.00 0.00 61.69 59.67 2bvp s THR 68 Cb -0.02 -0.52 -0.10 0.00 -1.51 0.00 0.00 72.50 70.35 2bvp s THR 68 CO 0.06 -0.22 1.44 -0.70 -2.21 0.00 0.00 174.62 172.99 2bvp s GLU 69 N -0.95 4.26 0.01 7.08 2.12 -1.26 -0.29 118.70 129.67 2bvp s GLU 69 Ca -0.10 2.31 -0.15 0.00 0.36 0.00 0.00 54.97 57.39 2bvp s GLU 69 Cb -0.05 -3.11 0.02 0.00 0.26 0.00 0.00 34.13 31.25 2bvp s GLU 69 CO 0.03 -0.43 0.32 -0.59 -0.54 0.00 0.00 175.26 174.05 2bvp s PHE 70 N 0.02 -0.16 -0.41 5.30 -0.71 0.11 -4.84 117.98 117.28 2bvp s PHE 70 Ca 0.60 0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 56.62 2bvp s PHE 70 Cb -0.42 0.11 0.11 0.00 -1.21 0.00 0.00 43.02 41.61 2bvp s PHE 70 CO 0.43 -0.45 0.21 0.99 -1.34 0.00 0.00 175.22 175.06 2bvp s THR 71 N -1.88 3.24 0.43 -4.49 2.01 -1.26 0.16 115.64 113.84 2bvp s THR 71 Ca -0.10 -2.12 -0.26 0.00 0.31 0.00 0.00 61.69 59.52 2bvp s THR 71 Cb -0.03 -3.23 -0.09 0.00 0.01 0.00 0.00 72.50 69.16 2bvp s THR 71 CO 0.01 -0.70 1.41 -2.16 -0.69 0.00 0.00 174.62 172.49 2bvp s PRO 72 N 1.06 3.82 0.42 4.92 0.04 -1.26 -4.72 135.00 139.29 2bvp s PRO 72 Ca 0.09 2.38 0.03 0.00 0.04 0.00 0.00 61.00 63.53 2bvp s PRO 72 Cb -0.22 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 2bvp s PRO 72 CO -0.04 -0.69 0.09 0.25 0.04 0.00 0.00 177.00 176.65 2bvp n THR 73 N -0.01 0.00 -0.05 1.26 -2.24 -1.26 0.15 114.28 112.13 2bvp n THR 73 Ca 0.04 -2.28 -0.12 0.00 -2.27 0.00 0.00 64.05 59.41 2bvp n THR 73 Cb 0.42 0.70 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2bvp n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2bvp h GLU 74 N 0.00 0.75 0.10 -0.78 4.81 -1.97 -3.37 114.58 114.13 2bvp h GLU 74 Ca -0.34 -0.46 -0.36 0.00 -0.13 0.00 0.00 59.36 58.07 2bvp h GLU 74 Cb 1.18 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2bvp h GLU 74 CO 0.55 1.09 -1.98 0.36 -0.73 0.00 0.00 179.01 178.29 2bvp n LYS 75 N -4.00 0.74 -1.78 1.92 2.85 -1.26 -4.92 118.16 111.71 2bvp n LYS 75 Ca -0.04 0.26 -0.42 0.00 -1.05 0.00 0.00 58.31 57.06 2bvp n LYS 75 Cb 0.61 -1.71 -0.03 0.00 -0.65 0.00 0.00 35.03 33.24 2bvp n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2bvp s ASP 76 N -6.86 6.46 -0.17 -5.58 1.01 -1.26 -4.98 116.67 105.29 2bvp s ASP 76 Ca -0.20 2.74 -0.09 0.00 0.71 0.00 0.00 52.55 55.70 2bvp s ASP 76 Cb 0.07 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 2bvp s ASP 76 CO 0.77 -0.95 0.15 -1.61 0.21 0.00 0.00 175.17 173.73 2bvp s GLU 77 N 2.01 3.92 0.12 8.23 2.02 -1.26 -4.70 118.70 129.05 2bvp s GLU 77 Ca 0.77 -0.16 0.10 0.00 0.02 0.00 0.00 54.97 55.70 2bvp s GLU 77 Cb -0.46 -3.34 -0.04 0.00 0.10 0.00 0.00 34.13 30.39 2bvp s GLU 77 CO 0.34 0.47 -0.25 0.71 0.02 0.00 0.00 175.26 176.55 2bvp s TYR 78 N -0.15 2.37 0.13 1.61 2.02 -1.26 -0.35 117.35 121.72 2bvp s TYR 78 Ca 0.11 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.31 2bvp s TYR 78 Cb -0.12 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 2bvp s TYR 78 CO 0.01 0.34 0.39 0.00 -1.57 0.00 0.00 175.55 174.72 2bvp s ALA 79 N -1.07 -0.83 -0.13 3.71 0.00 -0.52 -0.17 121.76 122.76 2bvp s ALA 79 Ca 0.15 -0.16 0.02 0.00 0.00 0.00 0.00 51.96 51.97 2bvp s ALA 79 Cb -0.10 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.72 2bvp s ALA 79 CO 0.07 -0.65 -0.19 0.00 0.00 0.00 0.00 175.76 174.98 2bvp s ARG 81 N 0.54 3.52 -0.11 0.00 3.52 0.12 -0.78 118.95 125.77 2bvp s ARG 81 Ca -0.12 -0.56 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2bvp s ARG 81 Cb -0.16 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 2bvp s ARG 81 CO 0.04 -0.13 -0.22 0.08 -0.81 0.00 0.00 175.30 174.26 2bvp s VAL 82 N 1.37 1.96 0.01 7.11 1.01 0.68 -0.35 120.40 132.19 2bvp s VAL 82 Ca 0.05 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2bvp s VAL 82 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 2bvp s VAL 82 CO 0.00 0.54 -0.26 0.21 0.00 0.00 0.00 175.10 175.59 2bvp s ASN 83 N 0.54 3.14 0.08 3.32 3.84 0.11 -0.10 114.94 125.87 2bvp s ASN 83 Ca -0.15 -0.52 -0.18 0.00 0.21 0.00 0.00 52.86 52.23 2bvp s ASN 83 Cb -0.17 -0.33 0.04 0.00 -0.55 0.00 0.00 41.25 40.23 2bvp s ASN 83 CO 0.05 0.29 0.42 -2.28 -2.79 0.00 0.00 177.10 172.79 2bvp s HIS 84 N -0.71 -0.26 0.49 0.43 5.65 -1.26 -0.07 115.29 119.56 2bvp s HIS 84 Ca 0.11 0.12 0.20 0.00 0.25 0.00 0.00 55.06 55.74 2bvp s HIS 84 Cb -0.10 0.25 1.24 0.00 -1.18 0.00 0.00 32.58 32.79 2bvp s HIS 84 CO 0.01 -0.63 2.00 -0.24 -0.65 0.00 0.00 174.74 175.22 2bvp h VAL 85 N 2.73 0.81 0.00 0.89 3.04 -1.95 0.14 116.25 121.91 2bvp h VAL 85 Ca -0.32 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2bvp h VAL 85 Cb 1.23 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2bvp h VAL 85 CO 0.45 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.39 2bvp n THR 86 N -4.43 0.83 -4.06 3.17 -2.24 -1.26 -4.69 114.28 101.60 2bvp n THR 86 Ca 0.09 0.20 -0.35 0.00 -2.27 0.00 0.00 64.05 61.73 2bvp n THR 86 Cb 0.49 -0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 67.66 2bvp n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2bvp s LEU 87 N -3.13 3.31 0.33 3.22 1.43 0.50 -4.99 118.68 119.35 2bvp s LEU 87 Ca 0.08 -0.18 0.09 0.00 -1.03 0.00 0.00 54.13 53.09 2bvp s LEU 87 Cb 0.11 -1.84 0.56 0.00 0.03 0.00 0.00 46.19 45.05 2bvp s LEU 87 CO 0.32 0.07 1.76 0.77 0.23 0.00 0.00 176.35 179.50 2bvp h SER 88 N 7.44 0.15 -5.08 2.29 4.64 -1.83 -3.43 113.55 117.73 2bvp h SER 88 Ca -0.36 -0.06 -0.15 0.00 -0.47 0.00 0.00 61.79 60.76 2bvp h SER 88 Cb 1.18 -0.04 -0.19 0.00 -0.31 0.00 0.00 62.40 63.04 2bvp h SER 88 CO 0.62 0.53 -0.65 0.00 -0.87 0.00 0.00 176.83 176.45 2bvp s GLN 89 N -4.17 0.46 0.27 4.77 -2.07 -1.26 -5.13 119.66 112.54 2bvp s GLN 89 Ca -0.04 -0.81 -0.30 0.00 -1.82 0.00 0.00 55.36 52.39 2bvp s GLN 89 Cb 0.14 0.17 -0.13 0.00 -1.09 0.00 0.00 33.01 32.10 2bvp s GLN 89 CO 0.75 -0.09 1.42 -2.30 -1.32 0.00 0.00 175.29 173.75 2bvp n PRO 90 N 0.98 2.20 -3.33 9.60 -0.02 -1.26 -4.93 135.00 138.25 2bvp n PRO 90 Ca -0.20 0.78 -0.38 0.00 -2.02 0.00 0.00 63.50 61.68 2bvp n PRO 90 Cb 0.57 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 2bvp n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2bvp s LYS 91 N -0.77 4.21 -0.25 -0.52 2.20 0.86 -4.87 119.74 120.60 2bvp s LYS 91 Ca 0.64 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 56.49 2bvp s LYS 91 Cb -0.60 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.16 2bvp s LYS 91 CO 0.52 -0.05 0.08 0.42 -0.36 0.00 0.00 175.35 175.97 2bvp s ILE 92 N 1.32 4.44 -0.22 5.43 1.01 -1.26 -0.23 121.20 131.70 2bvp s ILE 92 Ca 0.22 -0.13 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 2bvp s ILE 92 Cb -0.15 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 2bvp s ILE 92 CO 0.09 0.33 -0.04 -0.69 0.00 0.00 0.00 174.94 174.63 2bvp s VAL 93 N 1.58 3.45 0.30 2.92 1.01 0.04 -4.96 120.40 124.74 2bvp s VAL 93 Ca 0.06 -0.47 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 2bvp s VAL 93 Cb -0.15 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.57 2bvp s VAL 93 CO 0.04 0.42 0.99 -0.54 0.00 0.00 0.00 175.10 176.02 2bvp s LYS 94 N 1.40 4.60 -0.13 2.72 1.02 -1.26 -0.56 119.74 127.53 2bvp s LYS 94 Ca 0.05 1.49 -0.29 0.00 0.02 0.00 0.00 55.97 57.24 2bvp s LYS 94 Cb -0.14 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.16 2bvp s LYS 94 CO -0.02 0.27 1.53 -0.46 -0.92 0.00 0.00 175.35 175.75 2bvp s TRP 95 N -1.41 2.26 -0.29 3.18 -0.00 0.76 -4.85 118.94 118.59 2bvp s TRP 95 Ca 0.48 0.51 -0.03 0.00 -0.00 0.00 0.00 56.10 57.06 2bvp s TRP 95 Cb -0.24 -3.82 0.03 0.00 -0.00 0.00 0.00 33.47 29.45 2bvp s TRP 95 CO 0.30 -3.01 0.00 0.34 -0.00 0.00 0.00 176.95 174.58 2bvp s ASP 96 N 3.16 4.79 0.15 5.86 -1.08 -1.26 -4.75 116.67 123.53 2bvp s ASP 96 Ca 0.67 -1.04 0.12 0.00 -0.52 0.00 0.00 52.55 51.78 2bvp s ASP 96 Cb -0.28 -1.74 0.60 0.00 -1.46 0.00 0.00 42.92 40.04 2bvp s ASP 96 CO 0.25 -0.22 1.35 -1.14 0.52 0.00 0.00 175.17 175.94 2bvp n ARG 97 N 4.70 0.07 -0.59 4.34 0.63 -1.26 -1.52 116.66 123.03 2bvp n ARG 97 Ca -0.14 0.54 0.09 0.00 -0.92 0.00 0.00 57.85 57.41 2bvp n ARG 97 Cb 0.45 -1.72 0.33 0.00 0.45 0.00 0.00 32.46 31.98 2bvp n ARG 97 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2bvp n ASP 98 N -1.87 4.61 0.00 6.15 8.00 -1.26 -4.76 116.55 127.42 2bvp n ASP 98 Ca -0.00 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 52.97 2bvp n ASP 98 Cb 0.04 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.59 2bvp n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04