#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bst s ILE 1 N 0.00 4.44 -0.11 2.02 -4.36 -1.26 -5.07 121.20 116.87 2bst s ILE 1 Ca 0.00 1.43 -0.03 0.00 -0.26 0.00 0.00 60.65 61.79 2bst s ILE 1 Cb 0.00 -3.82 0.05 0.00 1.25 0.00 0.00 42.46 39.94 2bst s ILE 1 CO 0.00 0.03 0.11 -1.10 0.24 0.00 0.00 174.94 174.22 2bst s GLN 2 N -2.37 0.02 -0.19 0.37 -0.21 -1.26 -4.46 119.66 111.56 2bst s GLN 2 Ca 0.50 0.25 -0.02 0.00 0.02 0.00 0.00 55.36 56.12 2bst s GLN 2 Cb -0.15 -0.96 -0.00 0.00 1.00 0.00 0.00 33.01 32.90 2bst s GLN 2 CO 0.20 -0.47 -0.10 1.03 -2.12 0.00 0.00 175.29 173.83 2bst s ARG 3 N 2.20 3.29 0.49 2.91 0.52 -0.15 -4.96 118.95 123.25 2bst s ARG 3 Ca 0.04 -0.69 -0.23 0.00 -0.52 0.00 0.00 55.73 54.33 2bst s ARG 3 Cb -0.14 -2.81 -0.07 0.00 0.52 0.00 0.00 34.95 32.46 2bst s ARG 3 CO -0.06 -0.10 1.28 0.99 0.02 0.00 0.00 175.30 177.43 2bst s THR 4 N 1.15 2.54 0.32 0.02 2.01 -1.26 -1.59 115.64 118.82 2bst s THR 4 Ca 0.01 0.42 -0.27 0.00 0.31 0.00 0.00 61.69 62.17 2bst s THR 4 Cb -0.14 -3.22 -0.09 0.00 0.01 0.00 0.00 72.50 69.05 2bst s THR 4 CO -0.03 0.01 0.99 -2.16 -0.69 0.00 0.00 174.62 172.74 2bst s PRO 5 N -2.69 4.55 0.06 4.92 0.04 -1.26 -4.25 135.00 136.37 2bst s PRO 5 Ca 0.66 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.96 2bst s PRO 5 Cb -0.36 -2.88 -0.07 0.00 0.04 0.00 0.00 34.50 31.23 2bst s PRO 5 CO 0.44 0.23 0.57 0.15 0.04 0.00 0.00 177.00 178.42 2bst s LYS 6 N -1.91 4.20 -0.03 4.56 1.02 0.10 -4.88 119.74 122.81 2bst s LYS 6 Ca 0.49 0.73 0.07 0.00 0.02 0.00 0.00 55.97 57.28 2bst s LYS 6 Cb -0.22 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.82 2bst s LYS 6 CO 0.28 0.61 -0.24 0.42 -0.92 0.00 0.00 175.35 175.50 2bst s ILE 7 N -1.01 1.94 -0.04 2.17 -1.09 -1.26 -1.57 121.20 120.34 2bst s ILE 7 Ca 0.29 -1.04 -0.01 0.00 -2.23 0.00 0.00 60.65 57.66 2bst s ILE 7 Cb -0.19 -1.62 0.03 0.00 -1.58 0.00 0.00 42.46 39.10 2bst s ILE 7 CO 0.19 0.55 0.03 -1.10 -1.23 0.00 0.00 174.94 173.37 2bst s GLN 8 N -0.48 0.13 -0.17 2.79 -0.21 -0.54 -5.00 119.66 116.18 2bst s GLN 8 Ca 0.07 0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.67 2bst s GLN 8 Cb -0.10 -0.51 0.00 0.00 1.00 0.00 0.00 33.01 33.40 2bst s GLN 8 CO 0.00 -0.24 -0.16 0.54 -2.12 0.00 0.00 175.29 173.31 2bst s VAL 9 N 1.61 2.53 0.36 1.09 0.11 -1.26 -0.54 120.40 124.30 2bst s VAL 9 Ca -0.02 -0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 58.10 2bst s VAL 9 Cb -0.13 -2.07 0.04 0.00 -1.53 0.00 0.00 36.38 32.68 2bst s VAL 9 CO -0.03 0.51 0.68 -0.72 -3.33 0.00 0.00 175.10 172.22 2bst s TYR 10 N 1.00 0.35 0.15 1.54 1.13 -0.36 -4.50 117.35 116.67 2bst s TYR 10 Ca -0.02 -0.88 0.06 0.00 -1.41 0.00 0.00 57.07 54.82 2bst s TYR 10 Cb -0.15 0.55 -0.04 0.00 -1.10 0.00 0.00 41.96 41.22 2bst s TYR 10 CO -0.03 -1.40 0.05 -1.54 -2.51 0.00 0.00 175.55 170.11 2bst s SER 11 N -3.10 5.09 0.18 -0.18 1.04 -1.26 0.20 113.70 115.67 2bst s SER 11 Ca 0.19 -0.25 -0.11 0.00 0.48 0.00 0.00 55.95 56.26 2bst s SER 11 Cb -0.04 -1.21 0.08 0.00 0.10 0.00 0.00 66.02 64.95 2bst s SER 11 CO 0.13 0.10 1.70 -0.09 0.98 0.00 0.00 173.24 176.06 2bst h ARG 12 N 2.75 0.97 -5.99 4.02 2.43 -1.54 -3.45 114.38 113.58 2bst h ARG 12 Ca -0.47 -0.22 -0.61 0.00 -0.81 0.00 0.00 59.98 57.86 2bst h ARG 12 Cb 1.19 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.47 2bst h ARG 12 CO 0.60 0.87 -0.70 -1.01 -1.51 0.00 0.00 179.97 178.22 2bst s HIS 13 N -5.35 2.35 0.27 2.20 3.76 -1.26 -5.04 115.29 112.21 2bst s HIS 13 Ca -0.12 -0.46 -0.31 0.00 -0.15 0.00 0.00 55.06 54.02 2bst s HIS 13 Cb 0.13 -1.26 -0.12 0.00 1.11 0.00 0.00 32.58 32.44 2bst s HIS 13 CO 0.82 0.61 1.55 -2.30 -0.85 0.00 0.00 174.74 174.56 2bst n PRO 14 N -0.74 2.50 -1.69 8.40 -0.02 -1.26 -4.84 135.00 137.35 2bst n PRO 14 Ca -0.05 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 2bst n PRO 14 Cb 0.62 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 2bst n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bst s ALA 15 N 0.06 3.60 -0.28 3.55 0.00 -1.26 -4.97 121.76 122.46 2bst s ALA 15 Ca 0.66 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.94 2bst s ALA 15 Cb -0.55 -3.83 0.09 0.00 0.00 0.00 0.00 23.12 18.83 2bst s ALA 15 CO 0.48 -1.53 0.07 -2.00 0.00 0.00 0.00 175.76 172.77 2bst s GLU 16 N 4.25 0.84 0.21 0.00 2.12 -1.26 -5.11 118.70 119.75 2bst s GLU 16 Ca 0.87 -0.97 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 2bst s GLU 16 Cb -0.43 -2.14 -0.16 0.00 0.26 0.00 0.00 34.13 31.66 2bst s GLU 16 CO 0.41 -0.87 0.73 0.09 -0.54 0.00 0.00 175.26 175.07 2bst n ASN 17 N 4.84 -0.33 0.00 -1.70 3.02 -1.26 -0.30 115.26 119.54 2bst n ASN 17 Ca -0.04 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 2bst n ASN 17 Cb 0.43 -1.06 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 2bst n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bst n GLY 18 N 1.76 1.63 3.53 7.41 0.00 -0.28 -4.98 105.19 114.26 2bst n GLY 18 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 2bst n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bst s LYS 19 N -0.10 3.77 0.49 1.61 2.20 0.59 -5.00 119.74 123.29 2bst s LYS 19 Ca 0.00 -0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 54.93 2bst s LYS 19 Cb 0.00 -3.12 -0.08 0.00 -1.51 0.00 0.00 37.83 33.13 2bst s LYS 19 CO 0.00 0.14 1.25 0.45 -0.36 0.00 0.00 175.35 176.82 2bst n SER 20 N 3.90 2.30 0.00 1.43 2.88 -1.26 -4.15 113.62 118.72 2bst n SER 20 Ca -0.17 1.02 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2bst n SER 20 Cb 0.52 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.48 2bst n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bst n ASN 21 N -0.30 0.00 -3.77 -3.46 2.85 0.12 -4.97 115.26 105.73 2bst n ASN 21 Ca 0.09 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.41 2bst n ASN 21 Cb 0.42 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.28 2bst n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2bst s PHE 22 N -2.08 0.02 -0.20 1.20 0.40 -1.26 -2.17 117.98 113.89 2bst s PHE 22 Ca 0.00 0.14 -0.14 0.00 -0.60 0.00 0.00 56.93 56.33 2bst s PHE 22 Cb 0.00 -0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.25 2bst s PHE 22 CO 0.00 -0.09 0.33 -1.17 0.70 0.00 0.00 175.22 174.99 2bst s LEU 23 N 1.10 4.16 0.01 -0.37 2.96 0.11 -1.20 118.68 125.45 2bst s LEU 23 Ca -0.09 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.31 2bst s LEU 23 Cb -0.13 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 2bst s LEU 23 CO -0.03 -0.02 -0.19 0.20 -1.32 0.00 0.00 176.35 174.99 2bst s ASN 24 N 0.97 3.69 -0.26 3.68 0.01 0.13 -1.36 114.94 121.79 2bst s ASN 24 Ca 0.16 -0.39 -0.01 0.00 -0.71 0.00 0.00 52.86 51.91 2bst s ASN 24 Cb -0.14 -0.60 0.08 0.00 0.41 0.00 0.00 41.25 41.00 2bst s ASN 24 CO 0.07 0.29 0.05 0.00 -1.51 0.00 0.00 177.10 175.99 2bst s TYR 26 N 1.63 3.22 -0.11 0.00 5.04 0.30 -1.34 117.35 126.08 2bst s TYR 26 Ca 0.04 0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.81 2bst s TYR 26 Cb -0.18 -2.42 -0.02 0.00 0.35 0.00 0.00 41.96 39.69 2bst s TYR 26 CO -0.16 -0.18 -0.08 0.14 -1.34 0.00 0.00 175.55 173.92 2bst s VAL 27 N 1.82 3.51 0.28 3.14 -7.23 -0.69 -1.47 120.40 119.76 2bst s VAL 27 Ca 0.08 -0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 59.62 2bst s VAL 27 Cb -0.16 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2bst s VAL 27 CO 0.11 0.54 0.53 -0.94 -0.31 0.00 0.00 175.10 175.03 2bst s SER 28 N -0.08 0.08 -0.65 4.85 1.04 -0.61 -0.83 113.70 117.51 2bst s SER 28 Ca -0.00 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2bst s SER 28 Cb -0.13 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2bst s SER 28 CO 0.03 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.62 2bst n GLY 29 N -0.43 0.77 3.90 7.32 0.00 -0.46 0.03 105.19 116.32 2bst n GLY 29 Ca -0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.53 2bst n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bst s PHE 30 N -1.95 3.30 -0.28 1.61 -0.71 -1.17 -4.52 117.98 114.26 2bst s PHE 30 Ca 0.00 -0.05 -0.20 0.00 -1.04 0.00 0.00 56.93 55.64 2bst s PHE 30 Cb 0.00 -1.51 0.12 0.00 -1.21 0.00 0.00 43.02 40.42 2bst s PHE 30 CO 0.00 0.48 0.91 -1.58 -1.34 0.00 0.00 175.22 173.69 2bst s HIS 31 N -2.01 -0.66 1.24 3.49 2.46 -0.62 -1.14 115.29 118.04 2bst s HIS 31 Ca 0.33 1.44 -0.20 0.00 0.47 0.00 0.00 55.06 57.10 2bst s HIS 31 Cb -0.09 0.40 0.30 0.00 -0.13 0.00 0.00 32.58 33.06 2bst s HIS 31 CO 0.27 -0.32 1.09 -1.25 -2.47 0.00 0.00 174.74 172.05 2bst s PRO 32 N 0.90 -1.50 0.35 2.88 0.04 -1.26 -0.98 135.00 135.44 2bst s PRO 32 Ca -0.04 -0.05 0.16 0.00 0.04 0.00 0.00 61.00 61.11 2bst s PRO 32 Cb -0.05 -1.56 0.63 0.00 0.04 0.00 0.00 34.50 33.56 2bst s PRO 32 CO -0.11 -3.89 1.73 0.66 0.04 0.00 0.00 177.00 175.43 2bst h SER 33 N -2.71 0.00 -2.21 6.66 4.64 -2.00 -3.44 113.55 114.48 2bst h SER 33 Ca -0.44 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.30 2bst h SER 33 Cb 1.30 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.41 2bst h SER 33 CO 0.33 0.43 1.15 0.47 -0.87 0.00 0.00 176.83 178.33 2bst n ASP 34 N -3.70 3.79 -3.64 4.97 8.00 -1.26 -4.94 116.55 119.77 2bst n ASP 34 Ca -0.01 0.95 -0.15 0.00 0.71 0.00 0.00 54.79 56.29 2bst n ASP 34 Cb 0.51 -1.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.09 2bst n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2bst s ILE 35 N 3.99 0.03 -0.13 0.53 -1.16 -1.26 -4.65 121.20 118.54 2bst s ILE 35 Ca 0.90 -0.27 0.02 0.00 -0.51 0.00 0.00 60.65 60.79 2bst s ILE 35 Cb -0.57 -0.84 0.01 0.00 0.61 0.00 0.00 42.46 41.67 2bst s ILE 35 CO 0.46 -0.15 -0.19 -1.61 -2.81 0.00 0.00 174.94 170.64 2bst s GLU 36 N -1.56 2.73 -0.05 3.50 0.41 -0.45 -4.99 118.70 118.28 2bst s GLU 36 Ca -0.11 -0.75 0.02 0.00 -0.41 0.00 0.00 54.97 53.73 2bst s GLU 36 Cb -0.02 -2.26 0.01 0.00 -1.78 0.00 0.00 34.13 30.08 2bst s GLU 36 CO 0.05 -0.06 -0.08 0.08 -0.49 0.00 0.00 175.26 174.76 2bst s VAL 37 N 0.94 0.82 -0.02 2.63 1.01 -1.26 -0.17 120.40 124.34 2bst s VAL 37 Ca -0.05 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.65 2bst s VAL 37 Cb -0.15 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 2bst s VAL 37 CO -0.03 0.28 -0.11 -1.81 0.00 0.00 0.00 175.10 173.43 2bst s ASP 38 N 0.67 1.34 0.05 3.32 1.01 -0.07 -4.99 116.67 117.99 2bst s ASP 38 Ca -0.11 -0.21 -0.12 0.00 0.71 0.00 0.00 52.55 52.82 2bst s ASP 38 Cb -0.14 -0.29 -0.06 0.00 1.01 0.00 0.00 42.92 43.45 2bst s ASP 38 CO 0.02 0.10 0.40 -0.76 0.21 0.00 0.00 175.17 175.13 2bst s LEU 39 N 0.02 4.40 0.04 1.23 1.43 -1.26 -0.63 118.68 123.90 2bst s LEU 39 Ca -0.01 0.85 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 2bst s LEU 39 Cb -0.07 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 2bst s LEU 39 CO 0.00 0.23 -0.20 -0.76 0.23 0.00 0.00 176.35 175.86 2bst s LEU 40 N -1.58 2.16 -0.27 1.79 1.43 0.47 -1.22 118.68 121.46 2bst s LEU 40 Ca 0.29 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.90 2bst s LEU 40 Cb -0.15 -0.94 0.07 0.00 0.03 0.00 0.00 46.19 45.20 2bst s LEU 40 CO 0.16 0.15 -0.04 -0.75 0.23 0.00 0.00 176.35 176.10 2bst s LYS 41 N -1.15 1.74 -1.55 1.70 2.20 0.61 -2.14 119.74 121.16 2bst s LYS 41 Ca 0.07 -1.29 -0.05 0.00 -0.36 0.00 0.00 55.97 54.34 2bst s LYS 41 Cb -0.09 -2.77 0.01 0.00 -1.51 0.00 0.00 37.83 33.47 2bst s LYS 41 CO 0.02 -0.68 0.66 0.09 -0.36 0.00 0.00 175.35 175.07 2bst n ASN 42 N 4.52 -6.19 0.00 1.43 3.02 0.14 -2.09 115.26 116.09 2bst n ASN 42 Ca -0.09 -0.31 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 2bst n ASN 42 Cb 0.43 -4.99 0.00 0.00 -0.61 0.00 0.00 39.78 34.61 2bst n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2bst n GLY 43 N -1.57 2.44 3.76 7.41 0.00 -1.26 -5.03 105.19 110.93 2bst n GLY 43 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2bst n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bst s GLU 44 N -0.63 3.47 0.26 1.61 0.41 -0.89 -5.01 118.70 117.92 2bst s GLU 44 Ca 0.00 -0.26 -0.31 0.00 -0.41 0.00 0.00 54.97 53.99 2bst s GLU 44 Cb 0.00 -3.10 -0.12 0.00 -1.78 0.00 0.00 34.13 29.13 2bst s GLU 44 CO 0.00 0.62 1.58 -2.13 -0.49 0.00 0.00 175.26 174.85 2bst n ARG 45 N 2.44 2.57 -3.00 1.61 0.63 -1.26 -0.28 116.66 119.37 2bst n ARG 45 Ca -0.19 0.92 -0.34 0.00 -0.92 0.00 0.00 57.85 57.32 2bst n ARG 45 Cb 0.54 -2.69 -0.06 0.00 0.45 0.00 0.00 32.46 30.70 2bst n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2bst s ILE 46 N 0.22 4.51 0.12 5.15 1.01 -0.36 -4.84 121.20 127.01 2bst s ILE 46 Ca 0.67 1.30 0.03 0.00 0.00 0.00 0.00 60.65 62.65 2bst s ILE 46 Cb -0.53 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.16 2bst s ILE 46 CO 0.46 -0.06 0.17 -1.61 0.00 0.00 0.00 174.94 173.90 2bst s GLU 47 N -2.61 3.12 -0.78 2.79 2.02 -1.26 -4.64 118.70 117.33 2bst s GLU 47 Ca 0.52 -0.68 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 2bst s GLU 47 Cb -0.13 -2.81 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 2bst s GLU 47 CO 0.18 0.54 0.66 1.63 0.02 0.00 0.00 175.26 178.29 2bst n LYS 48 N -0.08 -3.81 -3.56 1.61 5.02 -1.26 -5.01 118.16 111.07 2bst n LYS 48 Ca -0.07 0.57 -0.37 0.00 -2.02 0.00 0.00 58.31 56.42 2bst n LYS 48 Cb 0.53 -4.68 -0.09 0.00 -0.02 0.00 0.00 35.03 30.77 2bst n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2bst s VAL 49 N -3.25 5.30 0.47 -0.18 1.01 -1.26 -4.90 120.40 117.59 2bst s VAL 49 Ca 0.07 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.46 2bst s VAL 49 Cb -0.01 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.79 2bst s VAL 49 CO 0.49 0.32 0.68 -1.61 0.00 0.00 0.00 175.10 174.97 2bst s GLU 50 N 1.07 2.91 -0.10 2.72 2.02 -0.86 -4.92 118.70 121.54 2bst s GLU 50 Ca 0.12 -0.65 -0.21 0.00 0.02 0.00 0.00 54.97 54.25 2bst s GLU 50 Cb -0.14 -2.57 0.05 0.00 0.10 0.00 0.00 34.13 31.57 2bst s GLU 50 CO 0.05 -0.36 0.51 -3.38 0.02 0.00 0.00 175.26 172.10 2bst s HIS 51 N -2.57 -0.48 0.91 1.61 -3.43 -1.26 -1.65 115.29 108.42 2bst s HIS 51 Ca 0.51 0.98 -0.11 0.00 -0.80 0.00 0.00 55.06 55.64 2bst s HIS 51 Cb -0.10 0.23 0.14 0.00 -1.43 0.00 0.00 32.58 31.41 2bst s HIS 51 CO 0.37 -0.41 1.10 -1.54 -2.00 0.00 0.00 174.74 172.27 2bst s SER 52 N -0.63 3.20 0.21 7.38 1.04 -0.41 -4.98 113.70 119.52 2bst s SER 52 Ca -0.07 1.83 -0.30 0.00 0.48 0.00 0.00 55.95 57.89 2bst s SER 52 Cb -0.03 -2.42 -0.08 0.00 0.10 0.00 0.00 66.02 63.58 2bst s SER 52 CO 0.04 -2.86 0.97 -1.81 0.98 0.00 0.00 173.24 170.56 2bst s ASP 53 N -3.02 7.56 0.05 7.02 1.01 -1.26 -4.68 116.67 123.34 2bst s ASP 53 Ca 0.65 1.96 -0.37 0.00 0.71 0.00 0.00 52.55 55.49 2bst s ASP 53 Cb -0.20 -2.61 -0.17 0.00 1.01 0.00 0.00 42.92 40.95 2bst s ASP 53 CO 0.58 0.06 1.34 -0.11 0.21 0.00 0.00 175.17 177.26 2bst n LEU 54 N 1.77 1.51 -4.12 1.23 7.94 -1.26 -4.95 117.00 119.12 2bst n LEU 54 Ca -0.01 1.12 -0.11 0.00 -1.11 0.00 0.00 56.01 55.90 2bst n LEU 54 Cb 0.47 -1.15 -0.08 0.00 0.53 0.00 0.00 43.42 43.19 2bst n LEU 54 CO 0.51 -1.10 -0.05 -0.55 -1.11 0.00 0.00 177.39 175.09 2bst s SER 55 N 0.67 0.16 0.06 1.96 0.15 -1.23 -5.05 113.70 110.41 2bst s SER 55 Ca 0.86 -1.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.25 2bst s SER 55 Cb -1.00 0.48 -0.03 0.00 -1.71 0.00 0.00 66.02 63.76 2bst s SER 55 CO 0.50 -0.99 0.02 0.72 1.20 0.00 0.00 173.24 174.68 2bst s PHE 56 N -4.01 0.45 0.75 3.44 -0.12 -1.26 -1.56 117.98 115.67 2bst s PHE 56 Ca 0.32 -0.97 -0.01 0.00 -0.05 0.00 0.00 56.93 56.22 2bst s PHE 56 Cb 0.03 -0.32 0.15 0.00 -0.63 0.00 0.00 43.02 42.25 2bst s PHE 56 CO 0.12 -0.42 1.03 -1.12 -0.05 0.00 0.00 175.22 174.79 2bst s SER 57 N -2.91 4.16 0.43 1.98 0.01 0.73 -4.91 113.70 113.18 2bst s SER 57 Ca 0.07 -0.43 0.17 0.00 1.31 0.00 0.00 55.95 57.07 2bst s SER 57 Cb 0.07 0.15 1.08 0.00 0.21 0.00 0.00 66.02 67.53 2bst s SER 57 CO -0.10 -2.00 1.90 0.11 0.41 0.00 0.00 173.24 173.56 2bst h LYS 58 N -0.64 0.38 -0.38 12.44 1.57 -2.03 0.24 116.57 128.15 2bst h LYS 58 Ca -0.35 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2bst h LYS 58 Cb 1.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2bst h LYS 58 CO 0.38 0.25 0.00 -0.40 -0.57 0.00 0.00 179.45 179.11 2bst n ASP 59 N -4.48 1.43 0.00 0.86 5.68 -1.26 -4.88 116.55 113.90 2bst n ASP 59 Ca 0.16 -2.07 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 2bst n ASP 59 Cb 0.59 -0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 2bst n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2bst n TRP 60 N 0.13 0.00 -2.30 2.11 7.02 0.86 -5.00 117.44 120.26 2bst n TRP 60 Ca 0.07 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.17 2bst n TRP 60 Cb 0.26 -0.31 -0.02 0.00 -2.42 0.00 0.00 31.31 28.82 2bst n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2bst s SER 61 N -3.07 6.62 0.54 -0.99 1.04 -1.26 -4.62 113.70 111.96 2bst s SER 61 Ca 0.00 2.37 -0.10 0.00 0.48 0.00 0.00 55.95 58.69 2bst s SER 61 Cb 0.00 -2.62 -0.05 0.00 0.10 0.00 0.00 66.02 63.45 2bst s SER 61 CO 0.00 -0.61 0.92 -0.36 0.98 0.00 0.00 173.24 174.18 2bst s PHE 62 N -1.37 3.56 -0.05 5.02 0.08 -0.29 -0.19 117.98 124.74 2bst s PHE 62 Ca 0.55 1.15 -0.11 0.00 0.12 0.00 0.00 56.93 58.64 2bst s PHE 62 Cb -0.31 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.58 2bst s PHE 62 CO 0.40 -0.45 0.26 1.52 -0.10 0.00 0.00 175.22 176.85 2bst s TYR 63 N -2.87 -0.18 -0.03 0.36 -0.85 -0.60 -1.36 117.35 111.82 2bst s TYR 63 Ca 0.53 0.37 -0.10 0.00 -0.52 0.00 0.00 57.07 57.34 2bst s TYR 63 Cb -0.11 0.07 0.02 0.00 0.38 0.00 0.00 41.96 42.32 2bst s TYR 63 CO 0.45 -0.27 0.23 -0.51 -1.52 0.00 0.00 175.55 173.93 2bst s LEU 64 N -0.76 1.16 -0.24 -3.49 1.43 -0.01 -3.46 118.68 113.31 2bst s LEU 64 Ca -0.09 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2bst s LEU 64 Cb -0.04 0.94 0.02 0.00 0.03 0.00 0.00 46.19 47.13 2bst s LEU 64 CO 0.02 -0.32 -0.07 -0.22 0.23 0.00 0.00 176.35 175.99 2bst s LEU 65 N -0.94 3.01 -0.15 1.79 2.96 -1.26 -1.70 118.68 122.39 2bst s LEU 65 Ca -0.10 -0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 52.99 2bst s LEU 65 Cb -0.05 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 2bst s LEU 65 CO 0.02 -0.09 0.06 -0.31 -1.32 0.00 0.00 176.35 174.71 2bst s TYR 66 N 1.35 3.29 0.19 5.38 1.51 -0.45 -1.29 117.35 127.33 2bst s TYR 66 Ca 0.02 0.19 -0.09 0.00 -1.01 0.00 0.00 57.07 56.18 2bst s TYR 66 Cb -0.16 -1.98 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2bst s TYR 66 CO -0.05 0.34 0.31 1.52 -1.11 0.00 0.00 175.55 176.56 2bst s TYR 67 N -0.21 0.50 -0.18 2.71 1.13 -0.66 0.18 117.35 120.83 2bst s TYR 67 Ca 0.08 -0.85 -0.28 0.00 -1.41 0.00 0.00 57.07 54.61 2bst s TYR 67 Cb -0.12 -0.07 0.11 0.00 -1.10 0.00 0.00 41.96 40.78 2bst s TYR 67 CO 0.01 -0.78 0.92 -0.08 -2.51 0.00 0.00 175.55 173.11 2bst s THR 68 N -4.01 0.00 0.43 -3.49 -1.32 -0.47 -2.03 115.64 104.76 2bst s THR 68 Ca 0.22 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.47 2bst s THR 68 Cb 0.03 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.94 2bst s THR 68 CO 0.04 0.00 1.09 -0.70 -2.21 0.00 0.00 174.62 172.85 2bst s GLU 69 N -0.63 3.96 -0.04 7.08 2.12 -1.26 0.09 118.70 130.01 2bst s GLU 69 Ca -0.02 1.60 -0.29 0.00 0.36 0.00 0.00 54.97 56.61 2bst s GLU 69 Cb -0.02 -2.44 0.11 0.00 0.26 0.00 0.00 34.13 32.04 2bst s GLU 69 CO 0.01 -0.34 0.90 -0.59 -0.54 0.00 0.00 175.26 174.70 2bst s PHE 70 N -1.65 -0.38 -0.33 5.30 -0.71 -0.92 -4.81 117.98 114.47 2bst s PHE 70 Ca 0.61 0.38 0.04 0.00 -1.04 0.00 0.00 56.93 56.92 2bst s PHE 70 Cb -0.24 0.51 0.10 0.00 -1.21 0.00 0.00 43.02 42.18 2bst s PHE 70 CO 0.29 -0.50 0.04 0.99 -1.34 0.00 0.00 175.22 174.70 2bst s THR 71 N -2.50 2.21 0.67 -4.49 2.01 -1.26 0.11 115.64 112.39 2bst s THR 71 Ca 0.02 -2.26 -0.17 0.00 0.31 0.00 0.00 61.69 59.59 2bst s THR 71 Cb -0.01 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.89 2bst s THR 71 CO -0.05 -0.57 1.25 -2.16 -0.69 0.00 0.00 174.62 172.41 2bst s PRO 72 N 0.95 2.48 0.30 4.92 0.04 -1.26 -4.74 135.00 137.69 2bst s PRO 72 Ca 0.10 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2bst s PRO 72 Cb -0.19 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 2bst s PRO 72 CO -0.09 -1.62 0.22 0.95 0.04 0.00 0.00 177.00 176.50 2bst s THR 73 N -1.62 0.08 0.13 1.26 -4.23 -1.26 -1.13 115.64 108.88 2bst s THR 73 Ca 0.79 -2.00 -0.14 0.00 -1.18 0.00 0.00 61.69 59.16 2bst s THR 73 Cb -0.34 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.01 2bst s THR 73 CO 0.40 0.00 1.61 -0.08 -0.54 0.00 0.00 174.62 176.02 2bst h GLU 74 N 2.24 0.71 0.06 3.99 4.57 -1.98 -3.36 114.58 120.81 2bst h GLU 74 Ca -0.29 -0.19 -0.15 0.00 -1.18 0.00 0.00 59.36 57.54 2bst h GLU 74 Cb 1.24 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2bst h GLU 74 CO 0.44 0.75 -0.77 1.57 -1.18 0.00 0.00 179.01 179.82 2bst h LYS 75 N 0.57 0.12 -6.41 1.92 2.10 -2.02 -3.48 116.57 109.38 2bst h LYS 75 Ca 0.13 -0.21 -0.62 0.00 -2.00 0.00 0.00 60.65 57.95 2bst h LYS 75 Cb 0.38 0.08 0.10 0.00 -0.90 0.00 0.00 32.23 31.89 2bst h LYS 75 CO 0.01 1.10 0.15 -0.25 -2.00 0.00 0.00 179.45 178.46 2bst n ASP 76 N -4.31 1.22 -4.46 7.07 8.00 -1.26 -4.98 116.55 117.83 2bst n ASP 76 Ca -0.19 1.16 -0.33 0.00 0.71 0.00 0.00 54.79 56.14 2bst n ASP 76 Cb 0.69 -1.25 -0.13 0.00 -0.02 0.00 0.00 41.12 40.41 2bst n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bst s GLU 77 N -1.11 3.30 0.05 -1.24 0.41 -1.26 -4.79 118.70 114.06 2bst s GLU 77 Ca 0.64 -0.61 0.08 0.00 -0.41 0.00 0.00 54.97 54.68 2bst s GLU 77 Cb -0.76 -2.70 -0.03 0.00 -1.78 0.00 0.00 34.13 28.86 2bst s GLU 77 CO 0.57 0.34 -0.23 0.71 -0.49 0.00 0.00 175.26 176.15 2bst s TYR 78 N 0.06 2.05 0.24 1.61 2.02 -1.26 0.23 117.35 122.30 2bst s TYR 78 Ca -0.03 -0.39 -0.15 0.00 -0.37 0.00 0.00 57.07 56.13 2bst s TYR 78 Cb -0.14 -1.21 0.00 0.00 -0.40 0.00 0.00 41.96 40.21 2bst s TYR 78 CO 0.04 0.12 0.52 0.00 -1.57 0.00 0.00 175.55 174.65 2bst s ALA 79 N -0.82 -0.51 -0.06 3.71 0.00 -0.91 0.14 121.76 123.30 2bst s ALA 79 Ca 0.09 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.44 2bst s ALA 79 Cb -0.09 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 24.00 2bst s ALA 79 CO 0.02 -0.87 -0.25 0.00 0.00 0.00 0.00 175.76 174.66 2bst s ARG 81 N -0.09 3.11 -0.06 0.00 3.52 0.20 0.37 118.95 126.00 2bst s ARG 81 Ca -0.06 -0.80 0.05 0.00 -0.13 0.00 0.00 55.73 54.80 2bst s ARG 81 Cb -0.14 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.68 2bst s ARG 81 CO 0.04 -0.05 -0.22 0.08 -0.81 0.00 0.00 175.30 174.35 2bst s VAL 82 N 0.93 1.79 -0.08 7.11 1.01 0.10 -0.89 120.40 130.37 2bst s VAL 82 Ca -0.04 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2bst s VAL 82 Cb -0.15 -1.53 -0.01 0.00 0.00 0.00 0.00 36.38 34.70 2bst s VAL 82 CO -0.03 0.50 -0.24 0.20 0.00 0.00 0.00 175.10 175.53 2bst s ASN 83 N -0.03 3.08 -0.10 3.32 0.01 0.76 -0.83 114.94 121.15 2bst s ASN 83 Ca -0.05 -0.54 -0.21 0.00 -0.71 0.00 0.00 52.86 51.36 2bst s ASN 83 Cb -0.13 -1.12 0.05 0.00 0.41 0.00 0.00 41.25 40.45 2bst s ASN 83 CO 0.03 0.20 0.50 -2.28 -1.51 0.00 0.00 177.10 174.05 2bst s HIS 84 N 0.09 -0.48 0.60 2.20 2.46 -1.26 -1.35 115.29 117.54 2bst s HIS 84 Ca -0.11 1.00 0.28 0.00 0.47 0.00 0.00 55.06 56.70 2bst s HIS 84 Cb -0.16 0.23 1.27 0.00 -0.13 0.00 0.00 32.58 33.78 2bst s HIS 84 CO 0.06 -0.40 1.66 -0.24 -2.47 0.00 0.00 174.74 173.36 2bst h VAL 85 N 3.82 0.20 0.00 0.89 3.04 -1.96 1.08 116.25 123.32 2bst h VAL 85 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2bst h VAL 85 Cb 1.17 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2bst h VAL 85 CO 0.30 0.00 -0.20 0.71 -1.01 0.00 0.00 177.57 177.37 2bst h THR 86 N 0.00 0.00 -3.73 3.17 1.35 -1.93 -3.44 112.91 108.34 2bst h THR 86 Ca 0.31 -0.73 -0.63 0.00 -0.55 0.00 0.00 66.41 64.82 2bst h THR 86 Cb 1.84 1.61 -0.15 0.00 -1.73 0.00 0.00 68.15 69.72 2bst h THR 86 CO -0.00 0.00 -0.24 -0.76 -0.25 0.00 0.00 175.52 174.26 2bst s LEU 87 N -5.18 4.04 0.63 3.87 1.43 0.37 -4.94 118.68 118.90 2bst s LEU 87 Ca 0.07 0.28 0.40 0.00 -1.03 0.00 0.00 54.13 53.85 2bst s LEU 87 Cb 0.10 -2.42 2.14 0.00 0.03 0.00 0.00 46.19 46.04 2bst s LEU 87 CO 0.66 -0.18 2.29 0.77 0.23 0.00 0.00 176.35 180.12 2bst h SER 88 N 8.18 0.00 -5.04 2.29 4.64 -1.85 -3.42 113.55 118.34 2bst h SER 88 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2bst h SER 88 Cb 1.16 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.16 2bst h SER 88 CO 0.64 0.01 0.14 0.00 -0.87 0.00 0.00 176.83 176.75 2bst s GLN 89 N -4.19 1.45 0.11 4.77 -2.07 -1.26 -5.13 119.66 113.35 2bst s GLN 89 Ca -0.04 -0.77 -0.32 0.00 -1.82 0.00 0.00 55.36 52.41 2bst s GLN 89 Cb 0.13 0.57 -0.11 0.00 -1.09 0.00 0.00 33.01 32.50 2bst s GLN 89 CO 0.46 -0.64 1.83 -2.30 -1.32 0.00 0.00 175.29 173.32 2bst n PRO 90 N -0.38 2.71 -3.40 9.60 -0.02 -1.26 -4.86 135.00 137.38 2bst n PRO 90 Ca -0.11 0.98 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 2bst n PRO 90 Cb 0.62 -2.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.17 2bst n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2bst s LYS 91 N 2.75 4.30 -0.17 -0.52 2.20 -0.01 -4.88 119.74 123.41 2bst s LYS 91 Ca 0.83 0.31 -0.02 0.00 -0.36 0.00 0.00 55.97 56.72 2bst s LYS 91 Cb -0.51 -3.44 -0.01 0.00 -1.51 0.00 0.00 37.83 32.36 2bst s LYS 91 CO 0.39 0.17 -0.08 0.42 -0.36 0.00 0.00 175.35 175.88 2bst s ILE 92 N 0.63 3.28 -0.18 5.43 1.01 -1.26 0.02 121.20 130.12 2bst s ILE 92 Ca 0.22 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.31 2bst s ILE 92 Cb -0.14 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2bst s ILE 92 CO 0.08 0.48 -0.13 -0.69 0.00 0.00 0.00 174.94 174.68 2bst s VAL 93 N 0.85 2.77 0.27 2.92 1.01 0.16 -4.94 120.40 123.45 2bst s VAL 93 Ca -0.02 -0.72 -0.23 0.00 0.00 0.00 0.00 61.98 61.00 2bst s VAL 93 Cb -0.15 -2.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 2bst s VAL 93 CO 0.01 0.49 0.85 -0.54 0.00 0.00 0.00 175.10 175.91 2bst s LYS 94 N 1.07 4.45 0.14 2.72 1.02 -1.26 0.31 119.74 128.19 2bst s LYS 94 Ca -0.00 1.14 -0.30 0.00 0.02 0.00 0.00 55.97 56.82 2bst s LYS 94 Cb -0.15 -2.86 -0.07 0.00 -0.52 0.00 0.00 37.83 34.24 2bst s LYS 94 CO -0.03 0.34 1.12 -0.46 -0.92 0.00 0.00 175.35 175.40 2bst s TRP 95 N -1.55 3.55 -0.24 3.18 -0.00 0.12 -4.89 118.94 119.11 2bst s TRP 95 Ca 0.47 1.53 0.01 0.00 -0.00 0.00 0.00 56.10 58.10 2bst s TRP 95 Cb -0.18 -3.31 0.06 0.00 -0.00 0.00 0.00 33.47 30.04 2bst s TRP 95 CO 0.23 -0.76 -0.05 0.34 -0.00 0.00 0.00 176.95 176.71 2bst s ASP 96 N 0.25 3.93 0.00 5.86 -1.08 -1.26 -4.79 116.67 119.58 2bst s ASP 96 Ca 0.52 -1.25 -0.00 0.00 -0.52 0.00 0.00 52.55 51.30 2bst s ASP 96 Cb -0.29 -1.21 -0.02 0.00 -1.46 0.00 0.00 42.92 39.94 2bst s ASP 96 CO 0.33 -0.25 0.89 -2.11 0.52 0.00 0.00 175.17 174.56 2bst n ARG 97 N 4.65 0.42 -0.20 4.34 1.85 -1.26 -1.07 116.66 125.39 2bst n ARG 97 Ca -0.11 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 2bst n ARG 97 Cb 0.44 -1.40 0.00 0.00 -1.05 0.00 0.00 32.46 30.44 2bst n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2bst n ASP 98 N 2.05 0.00 0.00 2.89 8.00 -1.26 -4.90 116.55 123.33 2bst n ASP 98 Ca 0.03 -1.08 0.00 0.00 0.71 0.00 0.00 54.79 54.45 2bst n ASP 98 Cb 0.21 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2bst n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04