#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bze s ILE 1 N 0.00 5.15 -0.07 1.12 1.01 -1.26 -5.09 121.20 122.06 3bze s ILE 1 Ca 0.00 0.20 0.04 0.00 0.00 0.00 0.00 60.65 60.89 3bze s ILE 1 Cb 0.00 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3bze s ILE 1 CO 0.00 0.16 -0.20 -1.10 0.00 0.00 0.00 174.94 173.80 3bze s GLN 2 N -2.31 2.36 -0.06 2.79 -0.21 -1.26 -4.64 119.66 116.33 3bze s GLN 2 Ca 0.37 -0.72 0.06 0.00 0.02 0.00 0.00 55.36 55.09 3bze s GLN 2 Cb -0.13 -1.90 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 3bze s GLN 2 CO 0.21 0.20 -0.24 1.03 -2.12 0.00 0.00 175.29 174.37 3bze s ARG 3 N 0.24 2.49 0.21 2.91 0.52 -0.28 -4.93 118.95 120.10 3bze s ARG 3 Ca -0.11 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 53.92 3bze s ARG 3 Cb -0.15 -2.10 -0.08 0.00 0.52 0.00 0.00 34.95 33.13 3bze s ARG 3 CO 0.05 0.36 1.14 0.99 0.02 0.00 0.00 175.30 177.86 3bze s THR 4 N -0.13 3.65 0.31 0.02 2.01 -1.26 -2.27 115.64 117.97 3bze s THR 4 Ca -0.04 1.47 -0.29 0.00 0.31 0.00 0.00 61.69 63.14 3bze s THR 4 Cb -0.14 -3.94 -0.10 0.00 0.01 0.00 0.00 72.50 68.34 3bze s THR 4 CO 0.04 0.27 1.16 -2.16 -0.69 0.00 0.00 174.62 173.24 3bze s PRO 5 N -0.63 4.49 0.21 4.92 0.04 -1.26 -4.31 135.00 138.46 3bze s PRO 5 Ca 0.49 1.90 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 3bze s PRO 5 Cb -0.31 -3.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.08 3bze s PRO 5 CO 0.37 0.04 0.56 0.15 0.04 0.00 0.00 177.00 178.17 3bze s LYS 6 N -1.67 3.86 -0.01 4.56 1.02 0.98 -4.91 119.74 123.57 3bze s LYS 6 Ca 0.47 0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.82 3bze s LYS 6 Cb -0.33 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 3bze s LYS 6 CO 0.43 0.35 -0.03 0.42 -0.92 0.00 0.00 175.35 175.60 3bze s ILE 7 N -1.74 0.28 -0.04 2.17 1.01 -1.26 -2.09 121.20 119.53 3bze s ILE 7 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3bze s ILE 7 Cb -0.12 -0.28 0.02 0.00 0.01 0.00 0.00 42.46 42.09 3bze s ILE 7 CO 0.20 0.11 -0.02 -1.10 0.00 0.00 0.00 174.94 174.13 3bze s GLN 8 N 0.28 0.61 -0.15 2.79 -0.21 -0.94 -5.00 119.66 117.05 3bze s GLN 8 Ca -0.03 -0.01 -0.01 0.00 0.02 0.00 0.00 55.36 55.33 3bze s GLN 8 Cb -0.06 -0.73 -0.01 0.00 1.00 0.00 0.00 33.01 33.21 3bze s GLN 8 CO -0.01 -0.13 -0.11 0.08 -2.12 0.00 0.00 175.29 173.00 3bze s VAL 9 N 1.11 3.11 0.21 1.09 1.01 -1.26 -1.33 120.40 124.34 3bze s VAL 9 Ca -0.08 -0.63 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 3bze s VAL 9 Cb -0.14 -2.33 0.05 0.00 0.00 0.00 0.00 36.38 33.96 3bze s VAL 9 CO -0.01 0.50 0.88 -0.72 0.00 0.00 0.00 175.10 175.76 3bze s TYR 10 N 0.60 -0.11 0.04 5.22 1.13 -0.36 -4.55 117.35 119.31 3bze s TYR 10 Ca -0.07 -0.28 -0.01 0.00 -1.41 0.00 0.00 57.07 55.31 3bze s TYR 10 Cb -0.15 0.68 -0.04 0.00 -1.10 0.00 0.00 41.96 41.35 3bze s TYR 10 CO 0.03 -1.02 0.19 -1.54 -2.51 0.00 0.00 175.55 170.70 3bze s SER 11 N -2.99 6.30 0.08 -0.18 1.04 -1.26 0.04 113.70 116.73 3bze s SER 11 Ca 0.13 0.27 -0.24 0.00 0.48 0.00 0.00 55.95 56.59 3bze s SER 11 Cb -0.03 -1.94 -0.16 0.00 0.10 0.00 0.00 66.02 64.00 3bze s SER 11 CO 0.05 0.20 1.68 -0.09 0.98 0.00 0.00 173.24 176.06 3bze h ARG 12 N 3.31 -0.03 -6.00 4.02 2.43 -1.32 -3.44 114.38 113.34 3bze h ARG 12 Ca -0.46 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.15 3bze h ARG 12 Cb 1.17 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.64 3bze h ARG 12 CO 0.73 0.03 -0.54 -1.01 -1.51 0.00 0.00 179.97 177.67 3bze s HIS 13 N -5.97 2.63 -0.12 2.20 3.76 -1.26 -5.03 115.29 111.50 3bze s HIS 13 Ca -0.13 -0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 54.01 3bze s HIS 13 Cb 0.05 -1.72 -0.04 0.00 1.11 0.00 0.00 32.58 31.98 3bze s HIS 13 CO 0.66 0.32 1.63 -2.14 -0.85 0.00 0.00 174.74 174.35 3bze s PRO 14 N -3.83 4.04 -0.22 8.40 0.02 -1.26 -4.87 135.00 137.28 3bze s PRO 14 Ca 0.38 1.99 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 3bze s PRO 14 Cb 0.01 -3.99 -0.08 0.00 0.02 0.00 0.00 34.50 30.46 3bze s PRO 14 CO 0.22 -1.00 0.86 0.00 -0.33 0.00 0.00 177.00 176.75 3bze n ALA 15 N 7.60 0.09 -3.49 -1.55 0.00 -1.26 -4.91 120.51 116.99 3bze n ALA 15 Ca 0.18 0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.39 3bze n ALA 15 Cb 0.44 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 18.96 3bze n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3bze s GLU 16 N 2.49 0.97 0.01 0.00 2.02 -1.26 -5.11 118.70 117.83 3bze s GLU 16 Ca 0.48 -1.96 -0.18 0.00 0.02 0.00 0.00 54.97 53.32 3bze s GLU 16 Cb -0.57 -1.66 -0.09 0.00 0.10 0.00 0.00 34.13 31.91 3bze s GLU 16 CO 0.25 -1.30 0.47 0.09 0.02 0.00 0.00 175.26 174.79 3bze n ASN 17 N 3.22 -0.09 0.00 -0.19 3.02 -1.26 0.39 115.26 120.35 3bze n ASN 17 Ca 0.21 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.30 3bze n ASN 17 Cb 0.42 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3bze n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bze n GLY 18 N 0.74 2.85 3.74 7.41 0.00 -0.61 -5.01 105.19 114.30 3bze n GLY 18 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 3bze n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3bze s LYS 19 N -0.07 4.40 0.63 1.61 -0.14 0.16 -4.93 119.74 121.40 3bze s LYS 19 Ca 0.00 0.84 -0.19 0.00 -1.36 0.00 0.00 55.97 55.27 3bze s LYS 19 Cb 0.00 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.74 3bze s LYS 19 CO 0.00 0.22 1.31 0.45 -0.76 0.00 0.00 175.35 176.57 3bze s SER 20 N 0.27 4.72 0.10 2.83 0.15 -1.26 -4.25 113.70 116.27 3bze s SER 20 Ca 0.35 2.67 -0.03 0.00 0.70 0.00 0.00 55.95 59.64 3bze s SER 20 Cb -0.18 -2.62 0.01 0.00 -1.71 0.00 0.00 66.02 61.52 3bze s SER 20 CO 0.18 -1.93 0.20 -3.20 1.20 0.00 0.00 173.24 169.69 3bze n ASN 21 N -1.73 -0.57 -4.02 5.45 2.85 -0.65 -5.01 115.26 111.58 3bze n ASN 21 Ca 0.15 -1.44 -0.26 0.00 -0.11 0.00 0.00 54.58 52.91 3bze n ASN 21 Cb 0.47 0.96 -0.17 0.00 1.24 0.00 0.00 39.78 42.29 3bze n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3bze s PHE 22 N -6.67 1.63 -0.00 1.20 0.08 -1.26 -1.98 117.98 110.97 3bze s PHE 22 Ca 0.05 -0.68 -0.25 0.00 0.12 0.00 0.00 56.93 56.16 3bze s PHE 22 Cb -0.01 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3bze s PHE 22 CO 0.04 -0.37 0.77 -1.17 -0.10 0.00 0.00 175.22 174.39 3bze s LEU 23 N 0.91 4.39 -0.02 -0.37 2.96 0.79 -0.78 118.68 126.57 3bze s LEU 23 Ca -0.09 1.38 0.05 0.00 -0.22 0.00 0.00 54.13 55.25 3bze s LEU 23 Cb -0.15 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 3bze s LEU 23 CO 0.01 -0.07 -0.18 0.20 -1.32 0.00 0.00 176.35 174.99 3bze s ASN 24 N 0.39 2.11 -0.16 3.68 0.01 0.11 -1.79 114.94 119.29 3bze s ASN 24 Ca 0.40 -0.33 -0.01 0.00 -0.71 0.00 0.00 52.86 52.21 3bze s ASN 24 Cb -0.20 -0.27 0.05 0.00 0.41 0.00 0.00 41.25 41.24 3bze s ASN 24 CO 0.22 0.21 -0.02 0.00 -1.51 0.00 0.00 177.10 176.01 3bze s TYR 26 N 1.75 3.12 -0.18 0.00 5.04 -0.44 -0.53 117.35 126.11 3bze s TYR 26 Ca 0.01 -0.76 -0.04 0.00 -2.44 0.00 0.00 57.07 53.84 3bze s TYR 26 Cb -0.15 -2.26 -0.02 0.00 0.35 0.00 0.00 41.96 39.88 3bze s TYR 26 CO -0.07 -0.50 -0.02 0.14 -1.34 0.00 0.00 175.55 173.76 3bze s VAL 27 N 1.55 3.86 0.20 3.14 -7.23 -0.49 -2.21 120.40 119.21 3bze s VAL 27 Ca 0.04 -0.35 -0.04 0.00 -1.81 0.00 0.00 61.98 59.82 3bze s VAL 27 Cb -0.16 -2.72 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 3bze s VAL 27 CO 0.03 0.45 0.21 -0.94 -0.31 0.00 0.00 175.10 174.54 3bze s SER 28 N 0.79 0.11 -0.79 4.85 1.04 -0.89 -0.17 113.70 118.64 3bze s SER 28 Ca -0.00 -1.21 0.00 0.00 0.48 0.00 0.00 55.95 55.21 3bze s SER 28 Cb -0.14 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3bze s SER 28 CO 0.02 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.95 3bze n GLY 29 N -0.26 0.91 3.96 7.32 0.00 -0.61 -0.01 105.19 116.49 3bze n GLY 29 Ca -0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 3bze n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3bze s PHE 30 N -2.11 3.44 -0.28 1.61 -0.71 -1.20 -4.37 117.98 114.35 3bze s PHE 30 Ca 0.00 0.00 -0.17 0.00 -1.04 0.00 0.00 56.93 55.72 3bze s PHE 30 Cb 0.00 -1.58 0.11 0.00 -1.21 0.00 0.00 43.02 40.34 3bze s PHE 30 CO 0.00 0.46 0.84 -1.58 -1.34 0.00 0.00 175.22 173.60 3bze s HIS 31 N -1.94 -0.79 0.91 3.49 2.46 -0.96 -1.62 115.29 116.83 3bze s HIS 31 Ca 0.34 1.62 -0.12 0.00 0.47 0.00 0.00 55.06 57.36 3bze s HIS 31 Cb -0.09 0.47 0.14 0.00 -0.13 0.00 0.00 32.58 32.96 3bze s HIS 31 CO 0.29 -0.39 1.14 -1.25 -2.47 0.00 0.00 174.74 172.05 3bze s PRO 32 N 1.36 1.16 0.54 2.88 0.04 -1.26 -1.13 135.00 138.59 3bze s PRO 32 Ca -0.08 0.30 0.23 0.00 0.04 0.00 0.00 61.00 61.48 3bze s PRO 32 Cb -0.04 -1.84 1.42 0.00 0.04 0.00 0.00 34.50 34.08 3bze s PRO 32 CO -0.16 -2.19 2.08 0.66 0.04 0.00 0.00 177.00 177.43 3bze h SER 33 N -1.49 0.00 -2.80 6.66 4.64 -1.98 -3.44 113.55 115.13 3bze h SER 33 Ca -0.50 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.22 3bze h SER 33 Cb 1.33 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 63.53 3bze h SER 33 CO 0.62 0.00 0.25 0.47 -0.87 0.00 0.00 176.83 177.30 3bze n ASP 34 N -4.29 1.74 -3.64 4.97 8.00 -1.26 -4.95 116.55 117.12 3bze n ASP 34 Ca 0.03 1.17 -0.04 0.00 0.71 0.00 0.00 54.79 56.66 3bze n ASP 34 Cb 0.35 -1.36 -0.06 0.00 -0.02 0.00 0.00 41.12 40.03 3bze n ASP 34 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3bze s ILE 35 N -1.10 0.00 -0.20 0.53 2.07 -1.26 -4.78 121.20 116.47 3bze s ILE 35 Ca 0.58 0.00 -0.01 0.00 -1.41 0.00 0.00 60.65 59.81 3bze s ILE 35 Cb -0.64 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 40.96 3bze s ILE 35 CO 0.60 0.00 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.89 3bze s GLU 36 N -0.17 3.14 -0.10 3.50 2.02 -0.65 -5.00 118.70 121.45 3bze s GLU 36 Ca 0.07 -0.75 0.02 0.00 0.02 0.00 0.00 54.97 54.33 3bze s GLU 36 Cb -0.04 -2.74 0.01 0.00 0.10 0.00 0.00 34.13 31.46 3bze s GLU 36 CO -0.13 -0.20 -0.16 0.08 0.02 0.00 0.00 175.26 174.87 3bze s VAL 37 N 1.36 1.51 -0.04 2.63 1.01 -1.26 -1.08 120.40 124.52 3bze s VAL 37 Ca 0.05 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.39 3bze s VAL 37 Cb -0.14 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.89 3bze s VAL 37 CO -0.09 0.44 -0.10 -1.81 0.00 0.00 0.00 175.10 173.54 3bze s ASP 38 N 0.78 1.47 -0.06 3.32 1.01 -0.62 -5.00 116.67 117.57 3bze s ASP 38 Ca -0.11 -0.24 -0.16 0.00 0.71 0.00 0.00 52.55 52.76 3bze s ASP 38 Cb -0.16 -0.54 -0.05 0.00 1.01 0.00 0.00 42.92 43.18 3bze s ASP 38 CO 0.02 0.05 0.41 -0.76 0.21 0.00 0.00 175.17 175.10 3bze s LEU 39 N 0.43 4.38 0.18 1.23 1.43 -1.26 -0.75 118.68 124.31 3bze s LEU 39 Ca -0.08 0.85 0.11 0.00 -1.03 0.00 0.00 54.13 53.98 3bze s LEU 39 Cb -0.12 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 3bze s LEU 39 CO 0.02 0.19 -0.22 -0.76 0.23 0.00 0.00 176.35 175.81 3bze s LEU 40 N -0.33 2.51 -0.14 1.79 1.43 0.47 -1.98 118.68 122.43 3bze s LEU 40 Ca 0.23 -0.79 -0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3bze s LEU 40 Cb -0.16 -1.27 0.04 0.00 0.03 0.00 0.00 46.19 44.84 3bze s LEU 40 CO 0.11 0.13 -0.01 -0.75 0.23 0.00 0.00 176.35 176.06 3bze s LYS 41 N -2.56 0.96 0.00 1.70 2.20 -0.84 -2.27 119.74 118.93 3bze s LYS 41 Ca 0.20 -0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.53 3bze s LYS 41 Cb -0.09 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.54 3bze s LYS 41 CO 0.10 -0.44 0.00 0.09 -0.36 0.00 0.00 175.35 174.74 3bze n ASN 42 N 5.01 0.00 0.00 1.43 3.02 0.16 -0.66 115.26 124.22 3bze n ASN 42 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.45 3bze n ASN 42 Cb 0.48 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3bze n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bze n GLY 43 N -2.00 0.92 3.31 7.41 0.00 -1.26 -5.02 105.19 108.55 3bze n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3bze n GLY 43 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bze n GLU 44 N 0.00 -0.48 -3.22 1.61 4.07 0.16 -4.83 120.64 117.96 3bze n GLU 44 Ca 0.00 -0.11 -0.46 0.00 -0.06 0.00 0.00 57.16 56.53 3bze n GLU 44 Cb 0.00 -1.65 -0.03 0.00 -0.06 0.00 0.00 31.44 29.69 3bze n GLU 44 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 3bze s ARG 45 N -3.27 3.32 -0.35 5.31 3.52 -1.26 -1.98 118.95 124.23 3bze s ARG 45 Ca 0.53 -1.90 -0.29 0.00 -0.13 0.00 0.00 55.73 53.94 3bze s ARG 45 Cb -0.17 -4.42 -0.07 0.00 -1.56 0.00 0.00 34.95 28.72 3bze s ARG 45 CO 0.70 -1.43 2.30 -0.89 -0.81 0.00 0.00 175.30 175.16 3bze n ILE 46 N 4.87 0.18 -1.77 4.11 5.41 -0.84 -4.95 119.36 126.38 3bze n ILE 46 Ca 0.03 -0.52 -0.30 0.00 1.00 0.00 0.00 62.75 62.95 3bze n ILE 46 Cb 0.44 -2.43 0.05 0.00 -0.71 0.00 0.00 39.64 37.00 3bze n ILE 46 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3bze s GLU 47 N 7.03 2.77 -0.28 0.38 2.02 -1.26 -4.49 118.70 124.87 3bze s GLU 47 Ca 1.03 0.59 -0.01 0.00 0.02 0.00 0.00 54.97 56.60 3bze s GLU 47 Cb -0.40 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.82 3bze s GLU 47 CO 0.35 -1.13 0.24 1.63 0.02 0.00 0.00 175.26 176.37 3bze n LYS 48 N -3.09 -0.85 -4.06 1.61 5.02 -1.26 -5.06 118.16 110.46 3bze n LYS 48 Ca 0.07 0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 56.23 3bze n LYS 48 Cb 0.56 -2.79 -0.09 0.00 -0.02 0.00 0.00 35.03 32.69 3bze n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3bze s VAL 49 N -3.10 4.85 -0.11 -0.18 1.01 -1.26 -4.84 120.40 116.78 3bze s VAL 49 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3bze s VAL 49 Cb -0.01 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3bze s VAL 49 CO 0.19 0.53 -0.11 -1.61 0.00 0.00 0.00 175.10 174.10 3bze s GLU 50 N -0.28 3.20 0.15 2.72 2.02 -0.70 -4.96 118.70 120.86 3bze s GLU 50 Ca 0.08 -0.64 0.10 0.00 0.02 0.00 0.00 54.97 54.54 3bze s GLU 50 Cb -0.12 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 3bze s GLU 50 CO 0.01 0.35 -0.24 -3.38 0.02 0.00 0.00 175.26 172.02 3bze s HIS 51 N 0.01 2.18 0.75 1.61 -3.43 -1.26 -1.14 115.29 114.01 3bze s HIS 51 Ca -0.03 -0.39 -0.11 0.00 -0.80 0.00 0.00 55.06 53.73 3bze s HIS 51 Cb -0.14 -1.13 0.05 0.00 -1.43 0.00 0.00 32.58 29.92 3bze s HIS 51 CO 0.04 0.38 1.09 -1.54 -2.00 0.00 0.00 174.74 172.71 3bze s SER 52 N -2.32 4.63 0.25 7.38 1.04 -0.59 -4.97 113.70 119.12 3bze s SER 52 Ca 0.16 1.84 -0.30 0.00 0.48 0.00 0.00 55.95 58.12 3bze s SER 52 Cb -0.09 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.40 3bze s SER 52 CO 0.07 -1.95 1.50 -1.81 0.98 0.00 0.00 173.24 172.04 3bze s ASP 53 N -3.30 6.56 0.19 7.02 1.01 -1.26 -4.67 116.67 122.21 3bze s ASP 53 Ca 0.62 2.75 -0.33 0.00 0.71 0.00 0.00 52.55 56.30 3bze s ASP 53 Cb -0.17 -2.62 -0.14 0.00 1.01 0.00 0.00 42.92 40.99 3bze s ASP 53 CO 0.54 -0.78 1.42 -0.11 0.21 0.00 0.00 175.17 176.45 3bze n LEU 54 N 2.48 2.72 -4.14 1.23 7.94 -1.26 -4.95 117.00 121.02 3bze n LEU 54 Ca 0.08 1.12 -0.16 0.00 -1.11 0.00 0.00 56.01 55.94 3bze n LEU 54 Cb 0.39 -1.37 -0.05 0.00 0.53 0.00 0.00 43.42 42.91 3bze n LEU 54 CO 0.62 -0.60 0.06 -0.55 -1.11 0.00 0.00 177.39 175.81 3bze s SER 55 N 0.47 1.04 0.15 1.96 0.15 -1.24 -5.04 113.70 111.19 3bze s SER 55 Ca 0.74 -1.53 -0.14 0.00 0.70 0.00 0.00 55.95 55.71 3bze s SER 55 Cb -0.72 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.23 3bze s SER 55 CO 0.46 -1.21 0.40 0.72 1.20 0.00 0.00 173.24 174.80 3bze s PHE 56 N -3.24 -0.03 0.56 3.44 -0.12 -1.26 -1.65 117.98 115.68 3bze s PHE 56 Ca 0.33 -0.32 0.09 0.00 -0.05 0.00 0.00 56.93 56.98 3bze s PHE 56 Cb 0.01 0.21 0.09 0.00 -0.63 0.00 0.00 43.02 42.69 3bze s PHE 56 CO 0.21 -0.76 0.72 -1.13 -0.05 0.00 0.00 175.22 174.22 3bze n SER 57 N -0.24 2.17 0.00 1.98 3.41 -0.22 -4.94 113.62 115.77 3bze n SER 57 Ca -0.12 -2.56 0.00 0.00 -0.26 0.00 0.00 58.87 55.93 3bze n SER 57 Cb 0.63 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 3bze n SER 57 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3bze n LYS 58 N -2.16 0.00 -0.37 4.33 5.02 -1.26 -0.26 118.16 123.46 3bze n LYS 58 Ca 0.13 0.36 0.09 0.00 -2.02 0.00 0.00 58.31 56.87 3bze n LYS 58 Cb 0.59 -1.51 0.28 0.00 -0.02 0.00 0.00 35.03 34.37 3bze n LYS 58 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3bze n ASP 59 N -1.36 3.83 0.00 4.39 5.75 -1.26 -4.95 116.55 122.95 3bze n ASP 59 Ca 0.00 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3bze n ASP 59 Cb 0.01 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.66 3bze n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3bze n TRP 60 N 1.09 0.00 -2.50 2.11 7.02 0.65 -5.00 117.44 120.80 3bze n TRP 60 Ca 0.21 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.30 3bze n TRP 60 Cb 0.64 -0.32 -0.04 0.00 -2.42 0.00 0.00 31.31 29.16 3bze n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3bze s SER 61 N -3.19 7.11 0.62 -0.99 1.04 -1.26 -4.69 113.70 112.33 3bze s SER 61 Ca 0.00 2.19 -0.09 0.00 0.48 0.00 0.00 55.95 58.52 3bze s SER 61 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 3bze s SER 61 CO 0.00 -0.25 0.99 -0.36 0.98 0.00 0.00 173.24 174.60 3bze s PHE 62 N -1.32 3.48 -0.12 5.02 0.08 -0.64 -1.06 117.98 123.42 3bze s PHE 62 Ca 0.49 1.05 -0.12 0.00 0.12 0.00 0.00 56.93 58.47 3bze s PHE 62 Cb -0.29 -2.75 0.03 0.00 -0.57 0.00 0.00 43.02 39.45 3bze s PHE 62 CO 0.36 -0.78 0.35 1.52 -0.10 0.00 0.00 175.22 176.57 3bze s TYR 63 N -3.13 -0.37 0.02 0.36 -0.85 -0.66 -1.57 117.35 111.14 3bze s TYR 63 Ca 0.54 0.90 0.00 0.00 -0.52 0.00 0.00 57.07 57.99 3bze s TYR 63 Cb -0.11 0.13 -0.02 0.00 0.38 0.00 0.00 41.96 42.34 3bze s TYR 63 CO 0.51 -0.19 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.81 3bze s LEU 64 N 0.11 2.20 -0.29 -3.49 1.43 0.76 -3.66 118.68 115.74 3bze s LEU 64 Ca -0.01 -0.42 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 3bze s LEU 64 Cb -0.03 0.08 0.02 0.00 0.03 0.00 0.00 46.19 46.30 3bze s LEU 64 CO 0.01 -0.25 0.04 -0.22 0.23 0.00 0.00 176.35 176.15 3bze s LEU 65 N -1.23 3.76 -0.16 1.79 2.96 -1.26 -1.40 118.68 123.14 3bze s LEU 65 Ca -0.14 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 52.81 3bze s LEU 65 Cb -0.08 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3bze s LEU 65 CO -0.01 -0.21 0.07 -0.31 -1.32 0.00 0.00 176.35 174.57 3bze s TYR 66 N 1.41 3.30 0.02 5.38 1.51 0.31 -1.54 117.35 127.73 3bze s TYR 66 Ca 0.00 0.17 -0.16 0.00 -1.01 0.00 0.00 57.07 56.08 3bze s TYR 66 Cb -0.18 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.68 3bze s TYR 66 CO 0.00 0.30 0.34 1.52 -1.11 0.00 0.00 175.55 176.60 3bze s TYR 67 N -0.02 -0.19 0.05 2.71 1.13 -0.30 -0.50 117.35 120.23 3bze s TYR 67 Ca 0.07 0.17 -0.14 0.00 -1.41 0.00 0.00 57.07 55.76 3bze s TYR 67 Cb -0.12 0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.89 3bze s TYR 67 CO 0.01 -0.48 0.31 -0.08 -2.51 0.00 0.00 175.55 172.80 3bze s THR 68 N -2.05 0.08 0.13 -3.49 -1.32 -0.74 -1.72 115.64 106.54 3bze s THR 68 Ca -0.08 -0.68 -0.30 0.00 -1.21 0.00 0.00 61.69 59.41 3bze s THR 68 Cb -0.02 -0.96 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 3bze s THR 68 CO 0.00 -0.38 1.00 -0.70 -2.21 0.00 0.00 174.62 172.33 3bze s GLU 69 N -2.65 4.67 0.15 7.08 2.12 -1.26 -0.14 118.70 128.66 3bze s GLU 69 Ca -0.04 1.52 -0.11 0.00 0.36 0.00 0.00 54.97 56.71 3bze s GLU 69 Cb -0.00 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 31.04 3bze s GLU 69 CO -0.04 0.18 0.31 -0.59 -0.54 0.00 0.00 175.26 174.58 3bze s PHE 70 N -0.08 0.24 -0.29 5.30 -0.71 -0.84 -4.86 117.98 116.75 3bze s PHE 70 Ca 0.48 -0.61 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 3bze s PHE 70 Cb -0.25 0.03 0.08 0.00 -1.21 0.00 0.00 43.02 41.67 3bze s PHE 70 CO 0.31 -0.71 -0.02 0.99 -1.34 0.00 0.00 175.22 174.45 3bze s THR 71 N -3.92 1.93 -0.19 -4.49 2.01 -1.26 -1.64 115.64 108.07 3bze s THR 71 Ca 0.13 -1.77 -0.29 0.00 0.31 0.00 0.00 61.69 60.06 3bze s THR 71 Cb 0.03 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 3bze s THR 71 CO -0.03 -0.32 1.72 -2.16 -0.69 0.00 0.00 174.62 173.14 3bze s PRO 72 N 1.15 3.76 -0.11 4.92 0.04 -1.26 -4.86 135.00 138.63 3bze s PRO 72 Ca 0.01 1.81 0.02 0.00 0.04 0.00 0.00 61.00 62.88 3bze s PRO 72 Cb -0.19 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.25 3bze s PRO 72 CO -0.08 -1.35 -0.19 0.99 0.04 0.00 0.00 177.00 176.41 3bze s THR 73 N 5.47 2.52 0.45 1.26 2.01 -1.26 -1.57 115.64 124.52 3bze s THR 73 Ca 0.76 -0.86 0.35 0.00 0.31 0.00 0.00 61.69 62.25 3bze s THR 73 Cb -0.28 -2.01 0.53 0.00 0.01 0.00 0.00 72.50 70.75 3bze s THR 73 CO 0.31 0.54 1.54 -0.62 -0.69 0.00 0.00 174.62 175.71 3bze n GLU 74 N 3.48 -0.03 0.07 4.92 1.02 -1.26 0.16 120.64 129.00 3bze n GLU 74 Ca -0.19 1.21 -0.08 0.00 -0.02 0.00 0.00 57.16 58.08 3bze n GLU 74 Cb 0.53 -2.44 -0.12 0.00 -0.02 0.00 0.00 31.44 29.38 3bze n GLU 74 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3bze h LYS 75 N 0.00 0.04 -6.74 3.49 2.10 -2.01 -3.48 116.57 109.98 3bze h LYS 75 Ca 0.88 -0.07 -0.49 0.00 -2.00 0.00 0.00 60.65 58.96 3bze h LYS 75 Cb 2.93 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 34.27 3bze h LYS 75 CO -0.40 1.03 0.28 -0.51 -2.00 0.00 0.00 179.45 177.86 3bze s ASP 76 N -6.78 7.39 0.10 7.07 1.01 0.42 -5.09 116.67 120.79 3bze s ASP 76 Ca 0.00 1.77 0.10 0.00 0.71 0.00 0.00 52.55 55.13 3bze s ASP 76 Cb 0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.44 3bze s ASP 76 CO 0.83 0.06 -0.26 -0.70 0.21 0.00 0.00 175.17 175.31 3bze s GLU 77 N -1.65 1.47 0.09 8.23 2.12 -1.26 -4.72 118.70 122.99 3bze s GLU 77 Ca 0.44 -1.26 0.05 0.00 0.36 0.00 0.00 54.97 54.56 3bze s GLU 77 Cb -0.21 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.29 3bze s GLU 77 CO 0.26 0.45 -0.14 0.71 -0.54 0.00 0.00 175.26 176.01 3bze s TYR 78 N -1.00 1.26 0.20 5.30 2.02 -1.26 -0.66 117.35 123.21 3bze s TYR 78 Ca 0.13 -0.52 -0.23 0.00 -0.37 0.00 0.00 57.07 56.07 3bze s TYR 78 Cb -0.10 -0.69 0.05 0.00 -0.40 0.00 0.00 41.96 40.82 3bze s TYR 78 CO 0.05 0.08 0.81 0.00 -1.57 0.00 0.00 175.55 174.91 3bze s ALA 79 N -1.77 -1.47 -0.14 3.71 0.00 -0.96 0.14 121.76 121.26 3bze s ALA 79 Ca 0.03 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.07 3bze s ALA 79 Cb -0.07 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.80 3bze s ALA 79 CO 0.02 -0.98 -0.20 0.00 0.00 0.00 0.00 175.76 174.61 3bze s ARG 81 N 0.78 3.39 -0.08 0.00 3.52 0.07 -1.40 118.95 125.23 3bze s ARG 81 Ca -0.07 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 54.91 3bze s ARG 81 Cb -0.16 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.91 3bze s ARG 81 CO -0.01 -0.30 -0.20 0.08 -0.81 0.00 0.00 175.30 174.07 3bze s VAL 82 N 1.55 2.52 -0.08 7.11 1.01 -0.07 -1.59 120.40 130.85 3bze s VAL 82 Ca 0.05 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.18 3bze s VAL 82 Cb -0.16 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3bze s VAL 82 CO 0.02 0.56 -0.19 0.21 0.00 0.00 0.00 175.10 175.70 3bze s ASN 83 N -0.06 2.54 -0.01 3.32 3.84 -0.24 -1.22 114.94 123.11 3bze s ASN 83 Ca -0.05 -0.45 -0.16 0.00 0.21 0.00 0.00 52.86 52.42 3bze s ASN 83 Cb -0.14 -1.11 0.03 0.00 -0.55 0.00 0.00 41.25 39.47 3bze s ASN 83 CO 0.04 0.12 0.34 -2.28 -2.79 0.00 0.00 177.10 172.53 3bze s HIS 84 N 0.42 -0.20 0.54 0.43 5.65 -1.26 -1.64 115.29 119.22 3bze s HIS 84 Ca -0.16 0.28 0.31 0.00 0.25 0.00 0.00 55.06 55.74 3bze s HIS 84 Cb -0.17 0.12 1.47 0.00 -1.18 0.00 0.00 32.58 32.83 3bze s HIS 84 CO 0.06 -0.43 1.90 -0.24 -0.65 0.00 0.00 174.74 175.39 3bze h VAL 85 N 3.68 0.57 0.00 0.89 3.04 -1.94 0.31 116.25 122.80 3bze h VAL 85 Ca -0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3bze h VAL 85 Cb 1.18 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3bze h VAL 85 CO 0.41 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.32 3bze n THR 86 N -4.28 0.01 -4.07 3.17 -2.24 -1.26 -4.73 114.28 100.88 3bze n THR 86 Ca 0.17 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.61 3bze n THR 86 Cb 0.92 -0.55 -0.12 0.00 -2.10 0.00 0.00 70.33 68.48 3bze n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3bze s LEU 87 N -2.09 3.29 0.55 3.22 1.43 0.11 -4.97 118.68 120.22 3bze s LEU 87 Ca 0.41 -0.19 0.23 0.00 -1.03 0.00 0.00 54.13 53.56 3bze s LEU 87 Cb 0.20 -1.83 1.54 0.00 0.03 0.00 0.00 46.19 46.13 3bze s LEU 87 CO 0.35 0.07 2.20 0.77 0.23 0.00 0.00 176.35 179.97 3bze h SER 88 N 7.45 0.00 -5.00 2.29 4.64 -1.85 -3.44 113.55 117.65 3bze h SER 88 Ca -0.36 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.89 3bze h SER 88 Cb 1.18 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.08 3bze h SER 88 CO 0.61 0.01 0.12 0.00 -0.87 0.00 0.00 176.83 176.70 3bze s GLN 89 N -4.82 1.01 0.18 4.77 -2.07 -1.26 -5.13 119.66 112.34 3bze s GLN 89 Ca -0.05 0.18 -0.32 0.00 -1.82 0.00 0.00 55.36 53.35 3bze s GLN 89 Cb 0.16 0.47 -0.16 0.00 -1.09 0.00 0.00 33.01 32.39 3bze s GLN 89 CO 0.61 -0.31 1.03 -0.35 -1.32 0.00 0.00 175.29 174.95 3bze n PRO 90 N 0.94 0.93 -3.74 9.60 -0.04 -1.26 -4.93 135.00 136.50 3bze n PRO 90 Ca -0.19 0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 63.23 3bze n PRO 90 Cb 0.57 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 3bze n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3bze s LYS 91 N -0.65 3.99 -0.17 0.54 2.20 -0.35 -4.92 119.74 120.38 3bze s LYS 91 Ca 0.71 -0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 55.97 3bze s LYS 91 Cb -0.87 -3.46 -0.02 0.00 -1.51 0.00 0.00 37.83 31.97 3bze s LYS 91 CO 0.55 0.06 -0.04 0.42 -0.36 0.00 0.00 175.35 175.97 3bze s ILE 92 N 1.03 3.69 -0.19 5.43 1.01 -1.26 -0.89 121.20 130.02 3bze s ILE 92 Ca 0.06 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3bze s ILE 92 Cb -0.14 -2.63 0.04 0.00 0.01 0.00 0.00 42.46 39.74 3bze s ILE 92 CO 0.04 0.47 -0.11 0.54 0.00 0.00 0.00 174.94 175.88 3bze s VAL 93 N 0.72 1.60 0.40 2.92 0.11 -0.49 -4.97 120.40 120.70 3bze s VAL 93 Ca -0.02 -0.94 -0.16 0.00 -2.93 0.00 0.00 61.98 57.93 3bze s VAL 93 Cb -0.15 -1.66 -0.09 0.00 -1.53 0.00 0.00 36.38 32.95 3bze s VAL 93 CO 0.02 0.21 0.85 -1.59 -3.33 0.00 0.00 175.10 171.26 3bze s LYS 94 N 1.42 4.02 -0.11 1.54 -2.85 -1.26 -0.30 119.74 122.20 3bze s LYS 94 Ca -0.00 0.82 -0.29 0.00 -1.00 0.00 0.00 55.97 55.49 3bze s LYS 94 Cb -0.16 -2.30 -0.03 0.00 -2.06 0.00 0.00 37.83 33.28 3bze s LYS 94 CO -0.08 -0.01 1.45 -0.46 0.10 0.00 0.00 175.35 176.34 3bze s TRP 95 N -2.23 2.45 -0.30 1.78 -0.00 0.37 -4.89 118.94 116.12 3bze s TRP 95 Ca 0.57 0.63 -0.02 0.00 -0.00 0.00 0.00 56.10 57.28 3bze s TRP 95 Cb -0.10 -3.70 0.05 0.00 -0.00 0.00 0.00 33.47 29.72 3bze s TRP 95 CO 0.21 -2.71 -0.00 0.34 -0.00 0.00 0.00 176.95 174.79 3bze s ASP 96 N 2.59 4.85 0.49 5.86 -1.08 -1.26 -4.72 116.67 123.40 3bze s ASP 96 Ca 0.64 -1.21 0.29 0.00 -0.52 0.00 0.00 52.55 51.74 3bze s ASP 96 Cb -0.27 -1.72 1.58 0.00 -1.46 0.00 0.00 42.92 41.05 3bze s ASP 96 CO 0.22 -0.25 1.87 0.08 0.52 0.00 0.00 175.17 177.62 3bze h ARG 97 N 8.01 0.00 -0.51 4.34 0.11 -1.95 -1.01 114.38 123.37 3bze h ARG 97 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 3bze h ARG 97 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3bze h ARG 97 CO 0.54 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.36 3bze n ASP 98 N -2.59 2.57 0.00 0.08 8.00 -1.26 -4.90 116.55 118.46 3bze n ASP 98 Ca -0.02 -2.15 0.00 0.00 0.71 0.00 0.00 54.79 53.33 3bze n ASP 98 Cb 0.15 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3bze n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04