#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8u s ILE 1 N 0.00 5.02 -0.09 3.17 1.01 -1.26 -5.06 121.20 124.00 2j8u s ILE 1 Ca 0.00 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.76 2j8u s ILE 1 Cb 0.00 -3.91 0.01 0.00 0.01 0.00 0.00 42.46 38.57 2j8u s ILE 1 CO 0.00 0.08 -0.18 -1.10 0.00 0.00 0.00 174.94 173.74 2j8u s GLN 2 N 2.23 2.38 -0.06 2.79 -0.21 -1.26 -4.60 119.66 120.92 2j8u s GLN 2 Ca 0.26 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 55.04 2j8u s GLN 2 Cb -0.16 -1.87 -0.00 0.00 1.00 0.00 0.00 33.01 31.98 2j8u s GLN 2 CO 0.09 0.09 -0.21 1.03 -2.12 0.00 0.00 175.29 174.17 2j8u s ARG 3 N 0.55 2.33 0.21 2.91 0.52 -0.23 -4.95 118.95 120.29 2j8u s ARG 3 Ca -0.16 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.01 2j8u s ARG 3 Cb -0.17 -1.91 -0.08 0.00 0.52 0.00 0.00 34.95 33.31 2j8u s ARG 3 CO 0.06 0.24 1.03 -0.08 0.02 0.00 0.00 175.30 176.57 2j8u s THR 4 N 0.13 3.94 0.38 0.02 -1.32 -1.26 -2.31 115.64 115.22 2j8u s THR 4 Ca -0.09 1.79 -0.26 0.00 -1.21 0.00 0.00 61.69 61.92 2j8u s THR 4 Cb -0.14 -4.14 -0.09 0.00 -1.51 0.00 0.00 72.50 66.62 2j8u s THR 4 CO 0.05 0.36 1.23 -2.84 -2.21 0.00 0.00 174.62 171.21 2j8u s PRO 5 N -0.78 4.11 -0.25 7.08 0.02 -1.26 -4.47 135.00 139.46 2j8u s PRO 5 Ca 0.46 2.00 -0.10 0.00 0.02 0.00 0.00 61.00 63.37 2j8u s PRO 5 Cb -0.28 -2.80 -0.05 0.00 0.02 0.00 0.00 34.50 31.39 2j8u s PRO 5 CO 0.35 -0.32 0.16 0.15 -0.33 0.00 0.00 177.00 177.01 2j8u s LYS 6 N -2.14 4.03 -0.14 5.54 1.02 0.02 -4.95 119.74 123.13 2j8u s LYS 6 Ca 0.55 -0.29 -0.02 0.00 0.02 0.00 0.00 55.97 56.23 2j8u s LYS 6 Cb -0.35 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.38 2j8u s LYS 6 CO 0.44 0.00 -0.07 0.42 -0.92 0.00 0.00 175.35 175.22 2j8u s ILE 7 N 1.23 3.57 -0.09 2.17 1.01 -1.26 -1.84 121.20 125.98 2j8u s ILE 7 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2j8u s ILE 7 Cb -0.14 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.82 2j8u s ILE 7 CO 0.06 0.52 -0.07 -1.10 0.00 0.00 0.00 174.94 174.35 2j8u s GLN 8 N 0.21 1.31 -0.17 2.79 -0.21 -0.95 -5.01 119.66 117.64 2j8u s GLN 8 Ca -0.05 -0.20 -0.03 0.00 0.02 0.00 0.00 55.36 55.10 2j8u s GLN 8 Cb -0.14 -1.35 -0.02 0.00 1.00 0.00 0.00 33.01 32.50 2j8u s GLN 8 CO 0.04 -0.19 -0.07 0.08 -2.12 0.00 0.00 175.29 173.03 2j8u s VAL 9 N 1.44 3.42 0.12 1.09 1.01 -1.26 -1.21 120.40 125.01 2j8u s VAL 9 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 2j8u s VAL 9 Cb -0.13 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.82 2j8u s VAL 9 CO -0.04 0.48 0.71 -0.72 0.00 0.00 0.00 175.10 175.53 2j8u s TYR 10 N 0.75 -0.44 0.26 5.22 1.13 -0.88 -4.57 117.35 118.83 2j8u s TYR 10 Ca -0.03 0.23 -0.02 0.00 -1.41 0.00 0.00 57.07 55.84 2j8u s TYR 10 Cb -0.15 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.23 2j8u s TYR 10 CO 0.02 -0.78 0.49 -1.54 -2.51 0.00 0.00 175.55 171.23 2j8u s SER 11 N -2.68 6.39 0.03 -0.18 1.04 -1.26 -0.14 113.70 116.90 2j8u s SER 11 Ca 0.03 0.54 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 2j8u s SER 11 Cb -0.01 -2.07 -0.17 0.00 0.10 0.00 0.00 66.02 63.87 2j8u s SER 11 CO -0.10 -0.15 1.38 -0.09 0.98 0.00 0.00 173.24 175.26 2j8u h ARG 12 N 1.64 -0.44 -6.20 4.02 2.43 -1.57 -3.45 114.38 110.81 2j8u h ARG 12 Ca -0.48 0.03 -0.54 0.00 -0.81 0.00 0.00 59.98 58.18 2j8u h ARG 12 Cb 1.20 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 2j8u h ARG 12 CO 0.66 -0.16 -0.55 -1.01 -1.51 0.00 0.00 179.97 177.40 2j8u s HIS 13 N -5.14 3.13 0.13 2.20 3.76 -1.26 -5.06 115.29 113.04 2j8u s HIS 13 Ca -0.15 -0.06 -0.35 0.00 -0.15 0.00 0.00 55.06 54.35 2j8u s HIS 13 Cb 0.03 -1.46 -0.16 0.00 1.11 0.00 0.00 32.58 32.10 2j8u s HIS 13 CO 0.58 0.52 1.35 -2.30 -0.85 0.00 0.00 174.74 174.04 2j8u n PRO 14 N -0.73 1.39 -2.00 8.40 -0.02 -1.26 -4.86 135.00 135.92 2j8u n PRO 14 Ca -0.08 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 2j8u n PRO 14 Cb 0.56 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.88 2j8u n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2j8u s ALA 15 N 0.37 3.68 -0.11 3.55 0.00 -1.26 -5.02 121.76 122.98 2j8u s ALA 15 Ca 0.80 1.33 -0.05 0.00 0.00 0.00 0.00 51.96 54.04 2j8u s ALA 15 Cb -0.86 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 18.73 2j8u s ALA 15 CO 0.47 -0.75 0.23 -2.00 0.00 0.00 0.00 175.76 173.71 2j8u s GLU 16 N 0.34 0.15 0.13 0.00 2.12 -1.26 -5.14 118.70 115.04 2j8u s GLU 16 Ca 0.64 0.60 -0.31 0.00 0.36 0.00 0.00 54.97 56.26 2j8u s GLU 16 Cb -0.42 -0.11 -0.09 0.00 0.26 0.00 0.00 34.13 33.76 2j8u s GLU 16 CO 0.37 -0.23 1.63 -0.80 -0.54 0.00 0.00 175.26 175.69 2j8u s ASN 17 N 1.84 6.57 0.00 -1.70 0.01 -1.26 -2.80 114.94 117.60 2j8u s ASN 17 Ca -0.04 2.59 0.00 0.00 -0.71 0.00 0.00 52.86 54.70 2j8u s ASN 17 Cb -0.11 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 38.97 2j8u s ASN 17 CO -0.08 -0.87 0.00 0.61 -1.51 0.00 0.00 177.10 175.25 2j8u n GLY 18 N 3.89 3.09 3.79 0.66 0.00 -0.64 -5.01 105.19 110.97 2j8u n GLY 18 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2j8u n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j8u s LYS 19 N -0.27 3.97 0.55 1.61 1.02 -1.12 -4.95 119.74 120.55 2j8u s LYS 19 Ca 0.00 0.14 -0.21 0.00 0.02 0.00 0.00 55.97 55.91 2j8u s LYS 19 Cb 0.00 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2j8u s LYS 19 CO 0.00 0.50 1.30 -1.54 -0.92 0.00 0.00 175.35 174.69 2j8u s SER 20 N -0.34 5.30 0.23 2.83 1.04 -1.26 -4.24 113.70 117.27 2j8u s SER 20 Ca 0.18 2.63 -0.05 0.00 0.48 0.00 0.00 55.95 59.20 2j8u s SER 20 Cb -0.14 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.38 2j8u s SER 20 CO 0.07 -1.54 0.39 -3.20 0.98 0.00 0.00 173.24 169.94 2j8u n ASN 21 N -1.13 -1.11 -4.09 7.02 2.85 0.32 -5.00 115.26 114.12 2j8u n ASN 21 Ca 0.11 -2.11 -0.29 0.00 -0.11 0.00 0.00 54.58 52.18 2j8u n ASN 21 Cb 0.46 1.95 -0.17 0.00 1.24 0.00 0.00 39.78 43.27 2j8u n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2j8u s PHE 22 N -4.16 2.11 -0.13 1.20 0.40 -1.26 -0.95 117.98 115.19 2j8u s PHE 22 Ca 0.15 -0.99 -0.19 0.00 -0.60 0.00 0.00 56.93 55.30 2j8u s PHE 22 Cb -0.02 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 2j8u s PHE 22 CO 0.11 -0.48 0.53 -1.17 0.70 0.00 0.00 175.22 174.91 2j8u s LEU 23 N 0.88 4.26 0.03 -0.37 2.96 0.31 -1.29 118.68 125.46 2j8u s LEU 23 Ca -0.08 0.86 0.07 0.00 -0.22 0.00 0.00 54.13 54.76 2j8u s LEU 23 Cb -0.15 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 2j8u s LEU 23 CO -0.00 -0.06 -0.19 0.20 -1.32 0.00 0.00 176.35 174.97 2j8u s ASN 24 N 0.76 3.71 -0.30 3.68 0.01 0.80 -1.81 114.94 121.80 2j8u s ASN 24 Ca 0.28 -0.42 -0.00 0.00 -0.71 0.00 0.00 52.86 52.01 2j8u s ASN 24 Cb -0.16 -0.59 0.09 0.00 0.41 0.00 0.00 41.25 41.01 2j8u s ASN 24 CO 0.12 0.27 0.07 0.00 -1.51 0.00 0.00 177.10 176.05 2j8u s TYR 26 N 1.55 3.17 -0.19 0.00 5.04 -0.35 -1.90 117.35 124.66 2j8u s TYR 26 Ca 0.07 -0.66 -0.09 0.00 -2.44 0.00 0.00 57.07 53.95 2j8u s TYR 26 Cb -0.18 -3.18 -0.05 0.00 0.35 0.00 0.00 41.96 38.90 2j8u s TYR 26 CO -0.20 -0.83 0.13 0.14 -1.34 0.00 0.00 175.55 173.44 2j8u s VAL 27 N 2.06 5.39 0.13 3.14 -7.23 -0.59 -2.24 120.40 121.06 2j8u s VAL 27 Ca 0.09 0.18 -0.10 0.00 -1.81 0.00 0.00 61.98 60.34 2j8u s VAL 27 Cb -0.21 -3.44 0.00 0.00 0.56 0.00 0.00 36.38 33.29 2j8u s VAL 27 CO 0.10 0.47 0.27 -0.94 -0.31 0.00 0.00 175.10 174.69 2j8u s SER 28 N 0.16 0.02 -0.64 4.85 1.04 -0.77 -0.51 113.70 117.84 2j8u s SER 28 Ca 0.09 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2j8u s SER 28 Cb -0.11 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2j8u s SER 28 CO -0.01 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2j8u n GLY 29 N -0.15 0.58 3.74 7.32 0.00 -0.46 -0.80 105.19 115.41 2j8u n GLY 29 Ca -0.12 -0.70 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 2j8u n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2j8u s PHE 30 N -2.28 3.08 -0.24 1.61 -0.71 -1.21 -4.41 117.98 113.82 2j8u s PHE 30 Ca 0.00 0.01 -0.13 0.00 -1.04 0.00 0.00 56.93 55.77 2j8u s PHE 30 Cb 0.00 -1.55 0.08 0.00 -1.21 0.00 0.00 43.02 40.33 2j8u s PHE 30 CO 0.00 0.51 0.58 -1.58 -1.34 0.00 0.00 175.22 173.39 2j8u s HIS 31 N -1.44 -0.91 1.11 3.49 2.46 -0.98 -2.08 115.29 116.94 2j8u s HIS 31 Ca 0.28 1.84 -0.18 0.00 0.47 0.00 0.00 55.06 57.46 2j8u s HIS 31 Cb -0.11 0.51 0.26 0.00 -0.13 0.00 0.00 32.58 33.10 2j8u s HIS 31 CO 0.21 -0.47 1.22 -2.14 -2.47 0.00 0.00 174.74 171.08 2j8u s PRO 32 N 1.65 -0.53 0.51 2.88 0.02 -1.26 -1.07 135.00 137.20 2j8u s PRO 32 Ca -0.09 -0.30 0.30 0.00 0.02 0.00 0.00 61.00 60.93 2j8u s PRO 32 Cb -0.07 -1.70 1.19 0.00 0.02 0.00 0.00 34.50 33.94 2j8u s PRO 32 CO -0.17 -3.21 1.92 0.66 -0.33 0.00 0.00 177.00 175.87 2j8u h SER 33 N -2.22 0.00 -2.22 2.53 4.64 -1.99 -3.44 113.55 110.85 2j8u h SER 33 Ca -0.44 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.30 2j8u h SER 33 Cb 1.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2j8u h SER 33 CO 0.33 0.08 1.42 -0.62 -0.87 0.00 0.00 176.83 177.16 2j8u s ASP 34 N -5.89 5.63 -0.05 4.97 2.15 -1.26 -4.95 116.67 117.27 2j8u s ASP 34 Ca 0.01 1.74 -0.07 0.00 0.43 0.00 0.00 52.55 54.66 2j8u s ASP 34 Cb 0.09 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2j8u s ASP 34 CO 0.58 -1.85 0.17 -0.51 -0.17 0.00 0.00 175.17 173.39 2j8u s ILE 35 N 7.73 0.02 -0.32 4.11 2.07 -1.26 -4.69 121.20 128.86 2j8u s ILE 35 Ca 0.94 -0.19 -0.02 0.00 -1.41 0.00 0.00 60.65 59.98 2j8u s ILE 35 Cb -0.30 -0.31 0.06 0.00 0.13 0.00 0.00 42.46 42.04 2j8u s ILE 35 CO 0.35 -0.10 0.03 -1.61 -1.91 0.00 0.00 174.94 171.70 2j8u s GLU 36 N -0.31 2.31 -0.12 3.50 2.02 -0.92 -5.01 118.70 120.17 2j8u s GLU 36 Ca -0.04 -1.38 0.03 0.00 0.02 0.00 0.00 54.97 53.60 2j8u s GLU 36 Cb -0.03 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2j8u s GLU 36 CO 0.01 -0.70 -0.22 0.08 0.02 0.00 0.00 175.26 174.44 2j8u s VAL 37 N 1.21 2.18 0.01 2.63 1.01 -1.26 -0.86 120.40 125.33 2j8u s VAL 37 Ca -0.02 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2j8u s VAL 37 Cb -0.20 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2j8u s VAL 37 CO -0.02 0.55 -0.12 -1.81 0.00 0.00 0.00 175.10 173.70 2j8u s ASP 38 N 0.50 1.37 -0.17 3.32 1.01 0.39 -5.01 116.67 118.08 2j8u s ASP 38 Ca -0.14 -0.32 -0.10 0.00 0.71 0.00 0.00 52.55 52.70 2j8u s ASP 38 Cb -0.17 -0.11 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 2j8u s ASP 38 CO 0.05 0.07 0.16 -0.76 0.21 0.00 0.00 175.17 174.90 2j8u s LEU 39 N -0.68 4.27 0.07 1.23 1.43 -1.26 -0.08 118.68 123.65 2j8u s LEU 39 Ca 0.02 0.34 0.05 0.00 -1.03 0.00 0.00 54.13 53.52 2j8u s LEU 39 Cb -0.06 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 2j8u s LEU 39 CO 0.00 0.24 -0.07 -0.76 0.23 0.00 0.00 176.35 175.99 2j8u s LEU 40 N -0.04 3.16 -0.25 1.79 1.43 0.16 -0.52 118.68 124.42 2j8u s LEU 40 Ca 0.11 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.93 2j8u s LEU 40 Cb -0.12 -1.90 0.08 0.00 0.03 0.00 0.00 46.19 44.28 2j8u s LEU 40 CO 0.01 0.21 0.04 -0.75 0.23 0.00 0.00 176.35 176.09 2j8u s LYS 41 N -1.99 0.91 -1.47 1.70 2.20 0.11 -2.26 119.74 118.94 2j8u s LYS 41 Ca 0.21 -0.83 -0.06 0.00 -0.36 0.00 0.00 55.97 54.93 2j8u s LYS 41 Cb -0.11 -2.20 0.03 0.00 -1.51 0.00 0.00 37.83 34.04 2j8u s LYS 41 CO 0.13 -0.77 0.59 0.09 -0.36 0.00 0.00 175.35 175.03 2j8u n ASN 42 N 4.87 -5.41 0.00 1.43 3.02 0.33 -1.79 115.26 117.71 2j8u n ASN 42 Ca -0.07 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 2j8u n ASN 42 Cb 0.44 -4.39 0.00 0.00 -0.61 0.00 0.00 39.78 35.22 2j8u n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2j8u n GLY 43 N -1.44 2.79 3.78 7.41 0.00 -1.26 -5.04 105.19 111.43 2j8u n GLY 43 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 2j8u n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2j8u s GLU 44 N -0.67 4.22 0.05 1.61 2.12 -0.74 -5.01 118.70 120.27 2j8u s GLU 44 Ca 0.00 0.60 -0.31 0.00 0.36 0.00 0.00 54.97 55.62 2j8u s GLU 44 Cb 0.00 -3.32 -0.06 0.00 0.26 0.00 0.00 34.13 31.01 2j8u s GLU 44 CO 0.00 0.44 1.34 0.50 -0.54 0.00 0.00 175.26 177.00 2j8u s ARG 45 N -0.35 4.33 -0.02 4.30 3.52 -1.26 0.07 118.95 129.55 2j8u s ARG 45 Ca 0.28 1.94 -0.29 0.00 -0.13 0.00 0.00 55.73 57.53 2j8u s ARG 45 Cb -0.17 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2j8u s ARG 45 CO 0.15 -0.46 0.92 0.42 -0.81 0.00 0.00 175.30 175.52 2j8u s ILE 46 N 1.69 4.91 -0.07 4.11 1.01 0.33 -4.91 121.20 128.26 2j8u s ILE 46 Ca 0.62 1.92 -0.27 0.00 0.00 0.00 0.00 60.65 62.93 2j8u s ILE 46 Cb -0.32 -4.26 -0.23 0.00 0.01 0.00 0.00 42.46 37.66 2j8u s ILE 46 CO 0.28 0.17 1.03 -0.33 0.00 0.00 0.00 174.94 176.09 2j8u h GLU 47 N 6.80 0.03 -3.59 2.79 4.39 -1.95 -3.40 114.58 119.66 2j8u h GLU 47 Ca -0.41 -0.03 -0.69 0.00 0.34 0.00 0.00 59.36 58.57 2j8u h GLU 47 Cb 1.21 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 2j8u h GLU 47 CO 0.75 0.76 3.43 1.63 -1.16 0.00 0.00 179.01 184.42 2j8u n LYS 48 N -4.70 3.18 -4.35 2.33 5.02 -1.26 -4.89 118.16 113.49 2j8u n LYS 48 Ca -0.09 -2.42 -0.34 0.00 -2.02 0.00 0.00 58.31 53.44 2j8u n LYS 48 Cb 0.38 -3.08 -0.14 0.00 -0.02 0.00 0.00 35.03 32.17 2j8u n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2j8u s VAL 49 N 2.80 3.19 -0.04 -0.18 1.01 -1.26 -4.60 120.40 121.32 2j8u s VAL 49 Ca 0.56 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.99 2j8u s VAL 49 Cb 0.16 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.12 2j8u s VAL 49 CO -0.08 0.48 -0.12 -1.61 0.00 0.00 0.00 175.10 173.77 2j8u s GLU 50 N 0.86 2.53 0.20 2.72 2.02 -0.61 -4.95 118.70 121.47 2j8u s GLU 50 Ca -0.03 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.36 2j8u s GLU 50 Cb -0.15 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 2j8u s GLU 50 CO 0.01 0.63 -0.02 -3.38 0.02 0.00 0.00 175.26 172.51 2j8u s HIS 51 N -0.78 2.77 0.94 1.61 -3.43 -1.26 -0.79 115.29 114.34 2j8u s HIS 51 Ca 0.12 -0.17 -0.13 0.00 -0.80 0.00 0.00 55.06 54.08 2j8u s HIS 51 Cb -0.11 -1.32 0.15 0.00 -1.43 0.00 0.00 32.58 29.88 2j8u s HIS 51 CO 0.01 0.54 1.15 -1.54 -2.00 0.00 0.00 174.74 172.91 2j8u s SER 52 N -3.12 3.29 0.10 7.38 1.04 0.17 -4.98 113.70 117.58 2j8u s SER 52 Ca 0.28 0.86 -0.29 0.00 0.48 0.00 0.00 55.95 57.28 2j8u s SER 52 Cb -0.08 -1.35 -0.06 0.00 0.10 0.00 0.00 66.02 64.63 2j8u s SER 52 CO 0.18 -2.68 0.94 -1.81 0.98 0.00 0.00 173.24 170.85 2j8u s ASP 53 N -4.12 7.46 0.07 7.02 1.01 -1.26 -4.76 116.67 122.10 2j8u s ASP 53 Ca 0.65 1.75 -0.33 0.00 0.71 0.00 0.00 52.55 55.33 2j8u s ASP 53 Cb -0.13 -2.57 -0.12 0.00 1.01 0.00 0.00 42.92 41.11 2j8u s ASP 53 CO 0.53 -0.06 1.77 -0.11 0.21 0.00 0.00 175.17 177.51 2j8u n LEU 54 N 2.83 3.60 -4.14 1.23 7.94 -1.26 -4.96 117.00 122.23 2j8u n LEU 54 Ca 0.02 1.01 -0.11 0.00 -1.11 0.00 0.00 56.01 55.82 2j8u n LEU 54 Cb 0.49 -1.46 -0.09 0.00 0.53 0.00 0.00 43.42 42.89 2j8u n LEU 54 CO 0.51 -0.03 -0.19 -0.55 -1.11 0.00 0.00 177.39 176.02 2j8u s SER 55 N 2.58 0.16 0.03 1.96 0.15 -1.23 -5.05 113.70 112.30 2j8u s SER 55 Ca 0.84 -1.24 -0.01 0.00 0.70 0.00 0.00 55.95 56.24 2j8u s SER 55 Cb -0.60 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.07 2j8u s SER 55 CO 0.42 -0.85 -0.02 0.72 1.20 0.00 0.00 173.24 174.71 2j8u s PHE 56 N -4.09 0.34 0.53 3.44 -0.71 -1.26 -0.65 117.98 115.57 2j8u s PHE 56 Ca 0.31 -0.70 -0.09 0.00 -1.04 0.00 0.00 56.93 55.41 2j8u s PHE 56 Cb 0.06 -0.25 0.12 0.00 -1.21 0.00 0.00 43.02 41.74 2j8u s PHE 56 CO 0.08 -0.26 0.68 0.43 -1.34 0.00 0.00 175.22 174.81 2j8u n SER 57 N 1.07 -0.14 0.11 1.98 7.64 -0.42 -4.91 113.62 118.94 2j8u n SER 57 Ca -0.20 -1.20 0.03 0.00 1.01 0.00 0.00 58.87 58.50 2j8u n SER 57 Cb 0.57 -0.53 0.41 0.00 -1.01 0.00 0.00 64.21 63.65 2j8u n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2j8u h LYS 58 N 0.00 0.28 -0.75 1.43 1.57 -2.03 -2.31 116.57 114.76 2j8u h LYS 58 Ca -0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2j8u h LYS 58 Cb 0.63 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2j8u h LYS 58 CO 0.16 0.35 0.00 -0.40 -0.57 0.00 0.00 179.45 178.98 2j8u n ASP 59 N -4.33 1.80 -0.13 0.86 5.75 -1.26 -4.87 116.55 114.37 2j8u n ASP 59 Ca -0.00 -2.16 -0.02 0.00 -0.01 0.00 0.00 54.79 52.60 2j8u n ASP 59 Cb 0.22 -0.45 -0.01 0.00 -1.03 0.00 0.00 41.12 39.85 2j8u n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2j8u n TRP 60 N 0.11 0.00 -3.12 2.11 7.02 -0.87 -4.98 117.44 117.70 2j8u n TRP 60 Ca 0.06 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.15 2j8u n TRP 60 Cb 0.39 -1.38 -0.05 0.00 -2.42 0.00 0.00 31.31 27.85 2j8u n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2j8u s SER 61 N -2.11 6.90 0.61 -0.99 1.04 -1.26 -4.82 113.70 113.07 2j8u s SER 61 Ca 0.00 1.09 -0.16 0.00 0.48 0.00 0.00 55.95 57.36 2j8u s SER 61 Cb 0.00 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.72 2j8u s SER 61 CO 0.00 -0.08 1.08 -0.36 0.98 0.00 0.00 173.24 174.85 2j8u s PHE 62 N 0.74 2.86 -0.04 5.02 0.08 -0.88 -1.31 117.98 124.45 2j8u s PHE 62 Ca 0.34 1.53 -0.05 0.00 0.12 0.00 0.00 56.93 58.87 2j8u s PHE 62 Cb -0.17 -3.07 0.01 0.00 -0.57 0.00 0.00 43.02 39.22 2j8u s PHE 62 CO 0.16 -1.31 0.13 1.52 -0.10 0.00 0.00 175.22 175.62 2j8u s TYR 63 N -2.38 -0.12 0.02 0.36 -0.85 0.17 -1.35 117.35 113.20 2j8u s TYR 63 Ca 0.65 0.29 0.01 0.00 -0.52 0.00 0.00 57.07 57.50 2j8u s TYR 63 Cb -0.18 0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.18 2j8u s TYR 63 CO 0.37 -0.09 -0.05 -0.51 -1.52 0.00 0.00 175.55 173.75 2j8u s LEU 64 N -0.10 2.15 -0.27 -3.49 1.43 0.33 -3.51 118.68 115.22 2j8u s LEU 64 Ca -0.02 -0.35 -0.00 0.00 -1.03 0.00 0.00 54.13 52.73 2j8u s LEU 64 Cb -0.02 -0.10 0.04 0.00 0.03 0.00 0.00 46.19 46.15 2j8u s LEU 64 CO 0.00 -0.13 -0.06 -0.22 0.23 0.00 0.00 176.35 176.17 2j8u s LEU 65 N -0.96 3.49 -0.19 1.79 2.96 -1.26 -1.54 118.68 122.97 2j8u s LEU 65 Ca -0.07 -1.15 -0.10 0.00 -0.22 0.00 0.00 54.13 52.59 2j8u s LEU 65 Cb -0.07 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 2j8u s LEU 65 CO -0.00 -0.19 0.13 -0.31 -1.32 0.00 0.00 176.35 174.66 2j8u s TYR 66 N 1.24 3.43 0.03 5.38 1.51 -0.80 -0.66 117.35 127.48 2j8u s TYR 66 Ca -0.04 0.35 -0.07 0.00 -1.01 0.00 0.00 57.07 56.30 2j8u s TYR 66 Cb -0.19 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.53 2j8u s TYR 66 CO -0.04 0.34 0.12 1.52 -1.11 0.00 0.00 175.55 176.39 2j8u s TYR 67 N 0.19 0.13 -0.03 2.71 1.13 0.03 -0.21 117.35 121.30 2j8u s TYR 67 Ca 0.09 -0.36 -0.15 0.00 -1.41 0.00 0.00 57.07 55.25 2j8u s TYR 67 Cb -0.11 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.68 2j8u s TYR 67 CO -0.01 -0.35 0.32 -0.08 -2.51 0.00 0.00 175.55 172.92 2j8u s THR 68 N -2.19 0.05 0.02 -3.49 -1.32 -0.75 -1.57 115.64 106.38 2j8u s THR 68 Ca -0.08 -0.40 -0.30 0.00 -1.21 0.00 0.00 61.69 59.70 2j8u s THR 68 Cb -0.03 -0.60 -0.04 0.00 -1.51 0.00 0.00 72.50 70.32 2j8u s THR 68 CO -0.02 -0.22 1.05 -0.70 -2.21 0.00 0.00 174.62 172.51 2j8u s GLU 69 N -1.09 4.52 0.07 7.08 2.12 -1.26 -0.53 118.70 129.61 2j8u s GLU 69 Ca -0.11 1.53 -0.10 0.00 0.36 0.00 0.00 54.97 56.64 2j8u s GLU 69 Cb -0.05 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.92 2j8u s GLU 69 CO 0.04 -0.11 0.23 -0.59 -0.54 0.00 0.00 175.26 174.28 2j8u s PHE 70 N 1.03 0.06 -0.39 5.30 -0.71 -0.12 -4.92 117.98 118.22 2j8u s PHE 70 Ca 0.54 -0.39 -0.05 0.00 -1.04 0.00 0.00 56.93 56.00 2j8u s PHE 70 Cb -0.24 -0.00 0.08 0.00 -1.21 0.00 0.00 43.02 41.66 2j8u s PHE 70 CO 0.28 -0.52 0.18 0.99 -1.34 0.00 0.00 175.22 174.81 2j8u s THR 71 N -3.34 3.57 0.40 -4.49 2.01 -1.26 -0.52 115.64 112.01 2j8u s THR 71 Ca 0.01 -1.65 -0.27 0.00 0.31 0.00 0.00 61.69 60.09 2j8u s THR 71 Cb 0.02 -3.26 -0.09 0.00 0.01 0.00 0.00 72.50 69.19 2j8u s THR 71 CO -0.08 -0.48 1.35 -2.16 -0.69 0.00 0.00 174.62 172.56 2j8u s PRO 72 N 1.27 4.00 0.32 4.92 0.04 -1.26 -4.86 135.00 139.43 2j8u s PRO 72 Ca 0.03 2.28 0.04 0.00 0.04 0.00 0.00 61.00 63.39 2j8u s PRO 72 Cb -0.22 -2.82 -0.02 0.00 0.04 0.00 0.00 34.50 31.47 2j8u s PRO 72 CO -0.01 -0.51 0.31 -0.08 0.04 0.00 0.00 177.00 176.75 2j8u s THR 73 N -1.21 0.00 0.08 1.26 -1.32 -1.26 -1.62 115.64 111.57 2j8u s THR 73 Ca 0.56 -1.90 -0.17 0.00 -1.21 0.00 0.00 61.69 58.97 2j8u s THR 73 Cb -0.41 -2.53 -0.10 0.00 -1.51 0.00 0.00 72.50 67.95 2j8u s THR 73 CO 0.53 0.00 1.41 -0.08 -2.21 0.00 0.00 174.62 174.27 2j8u h GLU 74 N 2.18 0.56 0.00 7.08 4.81 -1.98 -3.36 114.58 123.87 2j8u h GLU 74 Ca -0.27 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2j8u h GLU 74 Cb 1.24 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2j8u h GLU 74 CO 0.39 0.86 -1.41 1.63 -0.73 0.00 0.00 179.01 179.75 2j8u n LYS 75 N -4.41 0.38 -2.96 1.92 5.02 -1.26 -4.93 118.16 111.92 2j8u n LYS 75 Ca -0.04 -0.07 -0.40 0.00 -2.02 0.00 0.00 58.31 55.78 2j8u n LYS 75 Cb 0.40 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.80 2j8u n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2j8u s ASP 76 N -4.02 7.30 -0.10 4.39 1.01 -1.26 -5.07 116.67 118.93 2j8u s ASP 76 Ca -0.00 1.55 -0.03 0.00 0.71 0.00 0.00 52.55 54.78 2j8u s ASP 76 Cb 0.14 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 2j8u s ASP 76 CO 0.86 0.08 0.03 -1.61 0.21 0.00 0.00 175.17 174.74 2j8u s GLU 77 N -0.47 3.13 -0.02 8.23 2.02 -1.26 -4.79 118.70 125.54 2j8u s GLU 77 Ca 0.38 -0.35 0.06 0.00 0.02 0.00 0.00 54.97 55.08 2j8u s GLU 77 Cb -0.22 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.11 2j8u s GLU 77 CO 0.25 0.69 -0.20 0.71 0.02 0.00 0.00 175.26 176.72 2j8u s TYR 78 N -0.82 1.85 0.19 1.61 1.51 -1.26 -0.51 117.35 119.91 2j8u s TYR 78 Ca 0.13 -0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 55.72 2j8u s TYR 78 Cb -0.12 -1.20 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 2j8u s TYR 78 CO 0.03 -0.06 0.31 0.00 -1.11 0.00 0.00 175.55 174.72 2j8u s ALA 79 N -0.40 0.10 -0.14 3.71 0.00 -0.96 -0.60 121.76 123.47 2j8u s ALA 79 Ca 0.06 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.04 2j8u s ALA 79 Cb -0.09 0.98 0.02 0.00 0.00 0.00 0.00 23.12 24.03 2j8u s ALA 79 CO -0.00 -0.69 -0.17 0.00 0.00 0.00 0.00 175.76 174.90 2j8u s ARG 81 N 1.12 4.01 -0.07 0.00 3.52 0.88 -1.64 118.95 126.77 2j8u s ARG 81 Ca -0.02 -0.30 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 2j8u s ARG 81 Cb -0.14 -3.52 0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2j8u s ARG 81 CO -0.06 0.02 -0.13 0.08 -0.81 0.00 0.00 175.30 174.41 2j8u s VAL 82 N 1.15 1.22 0.03 7.11 1.01 0.02 -0.46 120.40 130.48 2j8u s VAL 82 Ca 0.07 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.62 2j8u s VAL 82 Cb -0.14 -1.11 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 2j8u s VAL 82 CO 0.05 0.38 -0.26 0.21 0.00 0.00 0.00 175.10 175.48 2j8u s ASN 83 N 0.71 3.08 0.23 3.32 3.04 -0.04 -0.44 114.94 124.84 2j8u s ASN 83 Ca -0.14 -0.55 -0.13 0.00 0.04 0.00 0.00 52.86 52.08 2j8u s ASN 83 Cb -0.16 -0.30 0.00 0.00 -1.54 0.00 0.00 41.25 39.26 2j8u s ASN 83 CO 0.03 0.27 0.45 -2.28 -3.04 0.00 0.00 177.10 172.53 2j8u s HIS 84 N -0.75 0.29 0.30 0.43 2.46 -1.26 -2.17 115.29 114.59 2j8u s HIS 84 Ca 0.11 -0.65 0.13 0.00 0.47 0.00 0.00 55.06 55.12 2j8u s HIS 84 Cb -0.10 0.18 0.56 0.00 -0.13 0.00 0.00 32.58 33.09 2j8u s HIS 84 CO 0.01 -0.94 1.72 -0.39 -2.47 0.00 0.00 174.74 172.67 2j8u h VAL 85 N 2.29 1.29 -0.02 0.89 -1.51 -1.96 -2.94 116.25 114.29 2j8u h VAL 85 Ca -0.27 -1.69 -0.18 0.00 -1.23 0.00 0.00 66.70 63.32 2j8u h VAL 85 Cb 1.25 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 32.32 2j8u h VAL 85 CO 0.38 0.48 -0.80 0.71 -1.23 0.00 0.00 177.57 177.10 2j8u h THR 86 N 0.00 1.45 -3.30 7.19 1.35 -1.93 -3.44 112.91 114.24 2j8u h THR 86 Ca -0.00 -2.42 -0.55 0.00 -0.55 0.00 0.00 66.41 62.89 2j8u h THR 86 Cb 0.89 2.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.60 2j8u h THR 86 CO 0.06 0.71 0.49 -0.76 -0.25 0.00 0.00 175.52 175.77 2j8u s LEU 87 N -7.61 4.32 0.24 3.87 1.43 -1.11 -4.94 118.68 114.88 2j8u s LEU 87 Ca -0.03 1.66 0.10 0.00 -1.03 0.00 0.00 54.13 54.83 2j8u s LEU 87 Cb 0.11 -3.56 0.21 0.00 0.03 0.00 0.00 46.19 42.97 2j8u s LEU 87 CO 0.82 -0.38 1.52 -1.28 0.23 0.00 0.00 176.35 177.26 2j8u h SER 88 N 6.97 0.00 -4.69 2.29 0.87 -1.86 -3.41 113.55 113.73 2j8u h SER 88 Ca -0.37 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 59.89 2j8u h SER 88 Cb 1.19 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.94 2j8u h SER 88 CO 0.81 0.70 -0.74 -1.10 -0.53 0.00 0.00 176.83 175.97 2j8u s GLN 89 N -3.33 0.61 -0.19 2.24 -0.21 -1.26 -5.10 119.66 112.41 2j8u s GLN 89 Ca -0.00 -0.83 -0.28 0.00 0.02 0.00 0.00 55.36 54.26 2j8u s GLN 89 Cb 0.12 -0.41 -0.05 0.00 1.00 0.00 0.00 33.01 33.66 2j8u s GLN 89 CO 0.77 0.08 2.09 -1.25 -2.12 0.00 0.00 175.29 174.86 2j8u s PRO 90 N -1.73 3.36 0.05 2.91 0.04 -1.26 -4.85 135.00 133.52 2j8u s PRO 90 Ca -0.07 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 2j8u s PRO 90 Cb -0.09 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.10 2j8u s PRO 90 CO 0.01 -1.84 1.07 0.21 0.04 0.00 0.00 177.00 176.48 2j8u s LYS 91 N 5.86 4.53 -0.19 4.56 2.20 0.42 -4.78 119.74 132.33 2j8u s LYS 91 Ca 0.94 1.58 -0.04 0.00 -0.36 0.00 0.00 55.97 58.10 2j8u s LYS 91 Cb -0.33 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 2j8u s LYS 91 CO 0.36 -0.09 -0.04 0.42 -0.36 0.00 0.00 175.35 175.63 2j8u s ILE 92 N 0.84 3.54 -0.17 5.43 1.01 -1.26 -0.80 121.20 129.80 2j8u s ILE 92 Ca 0.54 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.75 2j8u s ILE 92 Cb -0.25 -2.59 0.01 0.00 0.01 0.00 0.00 42.46 39.64 2j8u s ILE 92 CO 0.29 0.45 -0.19 -0.69 0.00 0.00 0.00 174.94 174.80 2j8u s VAL 93 N 1.06 2.22 0.45 2.92 1.01 -0.65 -4.96 120.40 122.45 2j8u s VAL 93 Ca 0.01 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.88 2j8u s VAL 93 Cb -0.15 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.21 2j8u s VAL 93 CO 0.00 0.53 0.98 -0.54 0.00 0.00 0.00 175.10 176.07 2j8u s LYS 94 N 1.08 4.09 -0.29 2.72 1.02 -1.26 -0.82 119.74 126.27 2j8u s LYS 94 Ca -0.00 1.17 -0.23 0.00 0.02 0.00 0.00 55.97 56.92 2j8u s LYS 94 Cb -0.14 -2.15 -0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2j8u s LYS 94 CO -0.07 -0.16 0.79 -0.46 -0.92 0.00 0.00 175.35 174.53 2j8u s TRP 95 N -2.16 3.22 -0.37 3.18 -0.00 0.23 -4.83 118.94 118.21 2j8u s TRP 95 Ca 0.63 0.86 -0.03 0.00 -0.00 0.00 0.00 56.10 57.57 2j8u s TRP 95 Cb -0.11 -3.18 0.09 0.00 -0.00 0.00 0.00 33.47 30.27 2j8u s TRP 95 CO 0.16 -0.53 0.14 0.34 -0.00 0.00 0.00 176.95 177.06 2j8u s ASP 96 N 1.57 5.15 0.35 5.86 2.15 -1.26 -4.78 116.67 125.70 2j8u s ASP 96 Ca 0.32 -1.75 0.15 0.00 0.43 0.00 0.00 52.55 51.70 2j8u s ASP 96 Cb -0.14 -1.79 0.64 0.00 -0.30 0.00 0.00 42.92 41.32 2j8u s ASP 96 CO 0.11 -0.44 1.75 0.08 -0.17 0.00 0.00 175.17 176.50 2j8u h ARG 97 N 8.04 0.00 -0.09 4.34 0.11 -1.95 -3.13 114.38 121.69 2j8u h ARG 97 Ca -0.16 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.92 2j8u h ARG 97 Cb 1.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.13 2j8u h ARG 97 CO 0.64 0.44 0.00 -0.25 0.10 0.00 0.00 179.97 180.90 2j8u n ASP 98 N -3.81 1.00 0.00 0.08 8.00 -1.26 -4.94 116.55 115.62 2j8u n ASP 98 Ca -0.01 -1.58 0.02 0.00 0.71 0.00 0.00 54.79 53.93 2j8u n ASP 98 Cb 0.49 -0.06 0.14 0.00 -0.02 0.00 0.00 41.12 41.67 2j8u n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61