#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hjk n GLN 2 N 0.00 0.34 -5.02 0.38 6.02 -1.26 -5.03 117.38 112.81 2hjk n GLN 2 Ca 0.00 0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 56.87 2hjk n GLN 2 Cb 0.00 -2.25 -0.17 0.00 1.02 0.00 0.00 30.24 28.84 2hjk n GLN 2 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2hjk s ARG 3 N -3.58 2.67 0.25 -1.09 0.52 0.32 -4.94 118.95 113.10 2hjk s ARG 3 Ca 0.72 -0.75 -0.22 0.00 -0.52 0.00 0.00 55.73 54.96 2hjk s ARG 3 Cb -0.32 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.01 2hjk s ARG 3 CO 0.52 0.13 0.79 -0.08 0.02 0.00 0.00 175.30 176.68 2hjk s THR 4 N 0.45 4.45 0.29 0.02 -1.32 -1.26 -1.61 115.64 116.67 2hjk s THR 4 Ca -0.17 1.47 -0.29 0.00 -1.21 0.00 0.00 61.69 61.48 2hjk s THR 4 Cb -0.17 -3.92 -0.10 0.00 -1.51 0.00 0.00 72.50 66.79 2hjk s THR 4 CO 0.07 0.21 1.34 -2.16 -2.21 0.00 0.00 174.62 171.87 2hjk s PRO 5 N -1.93 4.34 0.33 7.08 0.04 -1.26 -4.40 135.00 139.20 2hjk s PRO 5 Ca 0.44 2.21 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 2hjk s PRO 5 Cb -0.18 -3.10 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 2hjk s PRO 5 CO 0.22 -0.25 0.75 0.15 0.04 0.00 0.00 177.00 177.91 2hjk s LYS 6 N -1.18 4.02 -0.06 4.56 1.02 -0.06 -4.92 119.74 123.13 2hjk s LYS 6 Ca 0.53 0.70 -0.00 0.00 0.02 0.00 0.00 55.97 57.21 2hjk s LYS 6 Cb -0.40 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2hjk s LYS 6 CO 0.48 0.14 -0.01 0.42 -0.92 0.00 0.00 175.35 175.46 2hjk s ILE 7 N -2.01 0.38 -0.07 2.17 -1.09 -1.26 -2.06 121.20 117.27 2hjk s ILE 7 Ca 0.55 0.05 0.05 0.00 -2.23 0.00 0.00 60.65 59.06 2hjk s ILE 7 Cb -0.10 -0.49 -0.01 0.00 -1.58 0.00 0.00 42.46 40.27 2hjk s ILE 7 CO 0.17 0.23 -0.21 -1.10 -1.23 0.00 0.00 174.94 172.80 2hjk s GLN 8 N 1.49 2.70 -0.13 2.79 -0.21 -0.33 -4.98 119.66 121.00 2hjk s GLN 8 Ca -0.02 -0.84 0.02 0.00 0.02 0.00 0.00 55.36 54.54 2hjk s GLN 8 Cb -0.13 -2.28 -0.00 0.00 1.00 0.00 0.00 33.01 31.60 2hjk s GLN 8 CO -0.03 0.38 -0.19 0.08 -2.12 0.00 0.00 175.29 173.41 2hjk s VAL 9 N -0.15 2.39 0.06 1.09 1.01 -1.26 -0.46 120.40 123.09 2hjk s VAL 9 Ca -0.03 -0.89 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 2hjk s VAL 9 Cb -0.14 -1.96 0.09 0.00 0.00 0.00 0.00 36.38 34.37 2hjk s VAL 9 CO 0.04 0.54 1.04 -0.72 0.00 0.00 0.00 175.10 176.00 2hjk s TYR 10 N 0.56 -0.15 0.18 5.22 1.13 -0.72 -4.48 117.35 119.08 2hjk s TYR 10 Ca -0.12 -0.06 0.04 0.00 -1.41 0.00 0.00 57.07 55.52 2hjk s TYR 10 Cb -0.16 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 2hjk s TYR 10 CO 0.04 -0.61 0.22 -1.54 -2.51 0.00 0.00 175.55 171.15 2hjk s SER 11 N -2.81 5.89 0.16 -0.18 1.04 -1.26 0.09 113.70 116.63 2hjk s SER 11 Ca 0.11 -0.02 -0.14 0.00 0.48 0.00 0.00 55.95 56.39 2hjk s SER 11 Cb 0.00 -1.65 0.05 0.00 0.10 0.00 0.00 66.02 64.52 2hjk s SER 11 CO -0.02 0.04 1.74 -0.09 0.98 0.00 0.00 173.24 175.89 2hjk h ARG 12 N 2.08 0.74 -6.36 4.02 2.43 -1.41 -3.44 114.38 112.43 2hjk h ARG 12 Ca -0.48 -0.11 -0.61 0.00 -0.81 0.00 0.00 59.98 57.96 2hjk h ARG 12 Cb 1.21 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.48 2hjk h ARG 12 CO 0.65 0.61 -0.74 -1.01 -1.51 0.00 0.00 179.97 177.97 2hjk s HIS 13 N -5.71 2.47 0.21 2.20 3.76 -1.26 -5.04 115.29 111.92 2hjk s HIS 13 Ca -0.13 -0.28 -0.32 0.00 -0.15 0.00 0.00 55.06 54.17 2hjk s HIS 13 Cb 0.12 -1.15 -0.14 0.00 1.11 0.00 0.00 32.58 32.52 2hjk s HIS 13 CO 0.77 0.60 1.43 -2.30 -0.85 0.00 0.00 174.74 174.38 2hjk n PRO 14 N -0.31 1.97 -2.21 8.40 -0.02 -1.26 -4.85 135.00 136.72 2hjk n PRO 14 Ca -0.08 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.68 2hjk n PRO 14 Cb 0.58 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2hjk n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hjk s ALA 15 N 0.17 3.54 -0.18 3.55 0.00 -1.26 -5.01 121.76 122.56 2hjk s ALA 15 Ca 0.71 1.11 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 2hjk s ALA 15 Cb -0.68 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.00 2hjk s ALA 15 CO 0.47 -0.55 0.04 -2.00 0.00 0.00 0.00 175.76 173.72 2hjk s GLU 16 N 0.10 0.58 0.17 0.00 2.12 -1.26 -5.11 118.70 115.30 2hjk s GLU 16 Ca 0.58 -0.34 -0.33 0.00 0.36 0.00 0.00 54.97 55.24 2hjk s GLU 16 Cb -0.37 -2.00 -0.16 0.00 0.26 0.00 0.00 34.13 31.87 2hjk s GLU 16 CO 0.37 -0.62 1.19 0.09 -0.54 0.00 0.00 175.26 175.75 2hjk n ASN 17 N 5.08 1.43 0.00 -1.70 3.02 -1.26 -0.67 115.26 121.17 2hjk n ASN 17 Ca -0.09 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.60 2hjk n ASN 17 Cb 0.48 -1.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.42 2hjk n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hjk n GLY 18 N 2.07 1.24 3.51 7.41 0.00 0.13 -4.98 105.19 114.57 2hjk n GLY 18 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2hjk n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hjk s LYS 19 N -0.11 3.41 0.42 1.61 -0.14 0.16 -4.95 119.74 120.14 2hjk s LYS 19 Ca 0.00 -0.54 -0.26 0.00 -1.36 0.00 0.00 55.97 53.82 2hjk s LYS 19 Cb 0.00 -2.81 -0.10 0.00 -1.68 0.00 0.00 37.83 33.25 2hjk s LYS 19 CO 0.00 0.36 1.32 0.45 -0.76 0.00 0.00 175.35 176.72 2hjk n SER 20 N 3.17 2.81 -0.98 2.83 2.88 -1.26 -4.07 113.62 118.99 2hjk n SER 20 Ca -0.18 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.48 2hjk n SER 20 Cb 0.53 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 2hjk n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2hjk n ASN 21 N 0.14 0.00 -4.00 -3.46 2.85 0.17 -4.97 115.26 106.00 2hjk n ASN 21 Ca 0.06 -0.98 -0.22 0.00 -0.11 0.00 0.00 54.58 53.33 2hjk n ASN 21 Cb 0.40 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.26 2hjk n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2hjk s PHE 22 N -7.57 1.12 -0.17 1.20 0.08 -1.26 -1.82 117.98 109.56 2hjk s PHE 22 Ca 0.00 -0.34 -0.16 0.00 0.12 0.00 0.00 56.93 56.56 2hjk s PHE 22 Cb 0.00 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 2hjk s PHE 22 CO 0.00 -0.17 0.39 -1.17 -0.10 0.00 0.00 175.22 174.17 2hjk s LEU 23 N 0.45 4.20 -0.04 -0.37 2.96 0.52 -0.93 118.68 125.47 2hjk s LEU 23 Ca -0.08 0.57 0.05 0.00 -0.22 0.00 0.00 54.13 54.45 2hjk s LEU 23 Cb -0.12 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 2hjk s LEU 23 CO 0.02 -0.02 -0.17 0.20 -1.32 0.00 0.00 176.35 175.05 2hjk s ASN 24 N 0.82 3.77 -0.23 3.68 0.01 0.11 -1.41 114.94 121.69 2hjk s ASN 24 Ca 0.20 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 2hjk s ASN 24 Cb -0.14 -0.73 0.06 0.00 0.41 0.00 0.00 41.25 40.84 2hjk s ASN 24 CO 0.07 0.34 -0.07 0.00 -1.51 0.00 0.00 177.10 175.93 2hjk s TYR 26 N 1.37 3.21 -0.13 0.00 5.04 0.40 -0.95 117.35 126.29 2hjk s TYR 26 Ca -0.05 -0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.18 2hjk s TYR 26 Cb -0.19 -2.44 -0.03 0.00 0.35 0.00 0.00 41.96 39.65 2hjk s TYR 26 CO -0.06 -0.42 -0.05 0.14 -1.34 0.00 0.00 175.55 173.82 2hjk s VAL 27 N 1.68 3.79 0.20 3.14 -7.23 -0.32 -1.18 120.40 120.48 2hjk s VAL 27 Ca 0.05 -0.41 -0.11 0.00 -1.81 0.00 0.00 61.98 59.70 2hjk s VAL 27 Cb -0.17 -2.62 -0.00 0.00 0.56 0.00 0.00 36.38 34.14 2hjk s VAL 27 CO 0.09 0.53 0.39 -0.94 -0.31 0.00 0.00 175.10 174.86 2hjk s SER 28 N -0.01 -0.06 -0.66 4.85 1.04 -0.88 -0.88 113.70 117.10 2hjk s SER 28 Ca 0.00 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2hjk s SER 28 Cb -0.13 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2hjk s SER 28 CO 0.03 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.85 2hjk n GLY 29 N -0.30 0.84 3.80 7.32 0.00 -0.67 -0.88 105.19 115.30 2hjk n GLY 29 Ca -0.05 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 2hjk n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2hjk s PHE 30 N -2.13 3.14 -0.28 1.61 -0.71 -1.20 -4.34 117.98 114.07 2hjk s PHE 30 Ca 0.00 -0.03 -0.19 0.00 -1.04 0.00 0.00 56.93 55.68 2hjk s PHE 30 Cb 0.00 -1.50 0.09 0.00 -1.21 0.00 0.00 43.02 40.40 2hjk s PHE 30 CO 0.00 0.52 0.74 -1.58 -1.34 0.00 0.00 175.22 173.56 2hjk s HIS 31 N -1.79 -0.93 0.37 3.49 2.46 -0.63 -0.87 115.29 117.40 2hjk s HIS 31 Ca 0.31 1.95 -0.06 0.00 0.47 0.00 0.00 55.06 57.73 2hjk s HIS 31 Cb -0.10 0.51 0.09 0.00 -0.13 0.00 0.00 32.58 32.95 2hjk s HIS 31 CO 0.23 -0.46 0.38 -0.35 -2.47 0.00 0.00 174.74 172.07 2hjk n PRO 32 N 3.76 -1.32 0.14 2.88 -0.04 -1.26 -0.52 135.00 138.63 2hjk n PRO 32 Ca -0.18 -0.59 0.05 0.00 -0.04 0.00 0.00 63.50 62.74 2hjk n PRO 32 Cb 0.58 -0.50 0.04 0.00 -0.04 0.00 0.00 33.50 33.57 2hjk n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2hjk h SER 33 N -1.27 0.00 -3.30 3.54 4.64 -1.99 -3.46 113.55 111.71 2hjk h SER 33 Ca -0.13 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.66 2hjk h SER 33 Cb 0.40 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2hjk h SER 33 CO 0.09 0.35 0.62 -1.81 -0.87 0.00 0.00 176.83 175.22 2hjk s ASP 34 N -6.21 6.97 -0.08 4.97 1.01 -1.26 -4.99 116.67 117.08 2hjk s ASP 34 Ca 0.03 2.27 -0.24 0.00 0.71 0.00 0.00 52.55 55.32 2hjk s ASP 34 Cb 0.07 -2.60 0.06 0.00 1.01 0.00 0.00 42.92 41.46 2hjk s ASP 34 CO 0.74 -0.50 0.57 -0.51 0.21 0.00 0.00 175.17 175.68 2hjk s ILE 35 N 0.43 0.01 -0.14 0.77 2.07 -1.26 -4.62 121.20 118.46 2hjk s ILE 35 Ca 0.58 -0.12 0.01 0.00 -1.41 0.00 0.00 60.65 59.70 2hjk s ILE 35 Cb -0.34 -0.86 -0.00 0.00 0.13 0.00 0.00 42.46 41.38 2hjk s ILE 35 CO 0.35 -0.06 -0.16 -0.70 -1.91 0.00 0.00 174.94 172.45 2hjk s GLU 36 N -0.85 3.22 -0.06 3.50 2.12 -0.13 -5.00 118.70 121.50 2hjk s GLU 36 Ca -0.09 -0.75 -0.00 0.00 0.36 0.00 0.00 54.97 54.49 2hjk s GLU 36 Cb -0.02 -2.59 0.02 0.00 0.26 0.00 0.00 34.13 31.80 2hjk s GLU 36 CO 0.06 0.07 -0.03 0.08 -0.54 0.00 0.00 175.26 174.90 2hjk s VAL 37 N 0.68 0.50 0.07 3.70 1.01 -1.26 -1.02 120.40 124.10 2hjk s VAL 37 Ca -0.08 -0.03 0.08 0.00 0.00 0.00 0.00 61.98 61.95 2hjk s VAL 37 Cb -0.16 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2hjk s VAL 37 CO 0.02 0.25 -0.20 -1.81 0.00 0.00 0.00 175.10 173.36 2hjk s ASP 38 N 1.39 3.73 -0.14 3.32 1.01 0.58 -4.96 116.67 121.60 2hjk s ASP 38 Ca -0.04 -0.51 -0.07 0.00 0.71 0.00 0.00 52.55 52.64 2hjk s ASP 38 Cb -0.13 -0.53 -0.04 0.00 1.01 0.00 0.00 42.92 43.23 2hjk s ASP 38 CO -0.03 0.22 0.10 -0.76 0.21 0.00 0.00 175.17 174.92 2hjk s LEU 39 N -1.71 4.12 0.02 1.23 1.43 -1.26 -0.24 118.68 122.26 2hjk s LEU 39 Ca 0.15 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.63 2hjk s LEU 39 Cb -0.10 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2hjk s LEU 39 CO 0.07 0.32 -0.22 -0.76 0.23 0.00 0.00 176.35 175.99 2hjk s LEU 40 N -0.49 2.38 -0.20 1.79 1.43 0.45 -0.34 118.68 123.70 2hjk s LEU 40 Ca 0.11 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2hjk s LEU 40 Cb -0.12 -1.42 0.04 0.00 0.03 0.00 0.00 46.19 44.72 2hjk s LEU 40 CO 0.02 0.28 -0.14 -0.75 0.23 0.00 0.00 176.35 176.00 2hjk s LYS 41 N -1.10 2.37 -1.35 1.70 2.20 0.94 -2.14 119.74 122.36 2hjk s LYS 41 Ca 0.12 -0.92 -0.08 0.00 -0.36 0.00 0.00 55.97 54.73 2hjk s LYS 41 Cb -0.10 -2.53 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2hjk s LYS 41 CO 0.02 -0.38 0.47 0.09 -0.36 0.00 0.00 175.35 175.20 2hjk n ASN 42 N 4.62 -1.60 0.00 1.43 3.02 0.51 -1.40 115.26 121.84 2hjk n ASN 42 Ca -0.17 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 2hjk n ASN 42 Cb 0.47 -2.79 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 2hjk n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2hjk n GLY 43 N -2.01 2.32 3.90 7.41 0.00 -1.26 -5.00 105.19 110.55 2hjk n GLY 43 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2hjk n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hjk s GLU 44 N 0.00 3.41 0.03 1.61 2.56 -0.49 -4.99 118.70 120.83 2hjk s GLU 44 Ca 0.00 -0.37 -0.30 0.00 0.00 0.00 0.00 54.97 54.30 2hjk s GLU 44 Cb 0.00 -3.06 -0.06 0.00 2.00 0.00 0.00 34.13 33.01 2hjk s GLU 44 CO 0.00 0.65 1.41 0.50 -0.56 0.00 0.00 175.26 177.27 2hjk s ARG 45 N -2.10 4.29 0.07 4.30 3.52 -1.26 -0.04 118.95 127.73 2hjk s ARG 45 Ca 0.29 2.01 -0.30 0.00 -0.13 0.00 0.00 55.73 57.60 2hjk s ARG 45 Cb -0.13 -3.51 -0.05 0.00 -1.56 0.00 0.00 34.95 29.70 2hjk s ARG 45 CO 0.21 -0.56 1.11 0.42 -0.81 0.00 0.00 175.30 175.68 2hjk s ILE 46 N 2.15 4.24 0.05 4.11 1.01 0.54 -4.88 121.20 128.43 2hjk s ILE 46 Ca 0.65 1.68 -0.09 0.00 0.00 0.00 0.00 60.65 62.88 2hjk s ILE 46 Cb -0.33 -4.07 -0.32 0.00 0.01 0.00 0.00 42.46 37.75 2hjk s ILE 46 CO 0.28 0.17 1.06 -0.33 0.00 0.00 0.00 174.94 176.12 2hjk h GLU 47 N 6.41 0.39 -4.56 2.79 5.08 -1.94 -3.40 114.58 119.34 2hjk h GLU 47 Ca -0.42 -0.67 -0.74 0.00 -1.00 0.00 0.00 59.36 56.53 2hjk h GLU 47 Cb 1.22 0.25 -0.18 0.00 0.50 0.00 0.00 28.75 30.54 2hjk h GLU 47 CO 0.77 1.31 1.43 1.63 -1.00 0.00 0.00 179.01 183.16 2hjk n LYS 48 N -3.61 3.41 -4.65 2.33 4.01 -1.26 -4.94 118.16 113.45 2hjk n LYS 48 Ca -0.13 -3.82 -0.32 0.00 -0.51 0.00 0.00 58.31 53.53 2hjk n LYS 48 Cb 1.06 -3.01 -0.17 0.00 -0.51 0.00 0.00 35.03 32.40 2hjk n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2hjk s VAL 49 N 1.33 1.94 0.40 -0.18 1.01 -1.26 -4.60 120.40 119.03 2hjk s VAL 49 Ca 0.42 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2hjk s VAL 49 Cb -0.01 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2hjk s VAL 49 CO 0.00 0.53 0.45 -1.61 0.00 0.00 0.00 175.10 174.46 2hjk s GLU 50 N 0.83 2.74 0.01 2.72 2.02 -0.60 -4.92 118.70 121.50 2hjk s GLU 50 Ca -0.07 -1.33 -0.13 0.00 0.02 0.00 0.00 54.97 53.45 2hjk s GLU 50 Cb -0.15 -2.58 0.02 0.00 0.10 0.00 0.00 34.13 31.51 2hjk s GLU 50 CO -0.01 -0.15 0.28 -3.38 0.02 0.00 0.00 175.26 172.02 2hjk s HIS 51 N -2.37 -0.11 0.95 1.61 -3.43 -1.26 -1.15 115.29 109.54 2hjk s HIS 51 Ca 0.49 0.06 -0.12 0.00 -0.80 0.00 0.00 55.06 54.70 2hjk s HIS 51 Cb -0.07 0.07 0.16 0.00 -1.43 0.00 0.00 32.58 31.32 2hjk s HIS 51 CO 0.30 -0.43 1.09 -1.54 -2.00 0.00 0.00 174.74 172.16 2hjk s SER 52 N -1.69 2.89 0.32 7.38 1.04 -0.15 -4.99 113.70 118.50 2hjk s SER 52 Ca -0.10 1.55 -0.28 0.00 0.48 0.00 0.00 55.95 57.61 2hjk s SER 52 Cb -0.03 -2.21 -0.09 0.00 0.10 0.00 0.00 66.02 63.78 2hjk s SER 52 CO 0.00 -3.02 1.05 -1.81 0.98 0.00 0.00 173.24 170.45 2hjk s ASP 53 N -3.17 7.16 0.03 7.02 1.01 -1.26 -4.77 116.67 122.69 2hjk s ASP 53 Ca 0.65 2.13 -0.33 0.00 0.71 0.00 0.00 52.55 55.70 2hjk s ASP 53 Cb -0.20 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.00 2hjk s ASP 53 CO 0.58 -0.21 1.80 -0.11 0.21 0.00 0.00 175.17 177.45 2hjk n LEU 54 N 0.79 3.54 0.00 1.23 7.94 -1.26 -4.93 117.00 124.31 2hjk n LEU 54 Ca 0.01 1.00 -0.20 0.00 -1.11 0.00 0.00 56.01 55.71 2hjk n LEU 54 Cb 0.47 -1.43 -0.07 0.00 0.53 0.00 0.00 43.42 42.92 2hjk n LEU 54 CO 0.50 -0.05 -0.11 -1.20 -1.11 0.00 0.00 177.39 175.42 2hjk n SER 55 N 5.67 0.07 -3.77 1.96 7.64 -1.23 -5.05 113.62 118.91 2hjk n SER 55 Ca 0.20 -2.99 -0.11 0.00 1.01 0.00 0.00 58.87 56.97 2hjk n SER 55 Cb 0.32 1.30 -0.08 0.00 -1.01 0.00 0.00 64.21 64.74 2hjk n SER 55 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 2hjk s PHE 56 N -3.13 -0.08 0.87 1.43 -0.12 -1.26 -1.67 117.98 114.03 2hjk s PHE 56 Ca 0.30 -0.06 -0.11 0.00 -0.05 0.00 0.00 56.93 57.01 2hjk s PHE 56 Cb 0.01 0.07 0.17 0.00 -0.63 0.00 0.00 43.02 42.64 2hjk s PHE 56 CO 0.21 -0.48 1.20 -1.12 -0.05 0.00 0.00 175.22 174.98 2hjk s SER 57 N -2.01 3.62 0.61 1.98 0.01 0.57 -4.91 113.70 113.57 2hjk s SER 57 Ca -0.06 0.09 0.36 0.00 1.31 0.00 0.00 55.95 57.66 2hjk s SER 57 Cb -0.01 -0.28 2.01 0.00 0.21 0.00 0.00 66.02 67.94 2hjk s SER 57 CO -0.03 -2.38 2.27 0.11 0.41 0.00 0.00 173.24 173.61 2hjk h LYS 58 N -1.23 0.00 -0.49 12.44 1.57 -2.03 0.13 116.57 126.97 2hjk h LYS 58 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2hjk h LYS 58 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2hjk h LYS 58 CO 0.41 0.02 0.00 -0.40 -0.57 0.00 0.00 179.45 178.90 2hjk n ASP 59 N -3.45 2.59 0.00 0.86 5.75 -1.26 -4.92 116.55 116.11 2hjk n ASP 59 Ca -0.03 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 2hjk n ASP 59 Cb 0.11 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2hjk n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2hjk n TRP 60 N 0.80 0.00 -2.43 2.11 7.02 0.45 -5.01 117.44 120.38 2hjk n TRP 60 Ca 0.15 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.27 2hjk n TRP 60 Cb 0.43 -0.10 -0.03 0.00 -2.42 0.00 0.00 31.31 29.19 2hjk n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2hjk s SER 61 N -3.58 6.49 0.47 -0.99 1.04 -1.26 -4.69 113.70 111.18 2hjk s SER 61 Ca 0.00 2.13 -0.08 0.00 0.48 0.00 0.00 55.95 58.48 2hjk s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 2hjk s SER 61 CO 0.00 -0.68 0.81 -0.36 0.98 0.00 0.00 173.24 173.98 2hjk s PHE 62 N -1.65 3.53 -0.00 5.02 0.08 -0.05 -0.32 117.98 124.60 2hjk s PHE 62 Ca 0.61 0.95 -0.07 0.00 0.12 0.00 0.00 56.93 58.54 2hjk s PHE 62 Cb -0.24 -2.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2hjk s PHE 62 CO 0.29 -0.26 0.14 1.52 -0.10 0.00 0.00 175.22 176.82 2hjk s TYR 63 N -2.65 0.02 -0.07 0.36 -0.85 -0.67 -1.68 117.35 111.81 2hjk s TYR 63 Ca 0.50 -0.07 -0.10 0.00 -0.52 0.00 0.00 57.07 56.87 2hjk s TYR 63 Cb -0.10 -0.04 0.02 0.00 0.38 0.00 0.00 41.96 42.22 2hjk s TYR 63 CO 0.41 -0.27 0.26 -0.51 -1.52 0.00 0.00 175.55 173.91 2hjk s LEU 64 N -1.25 1.04 -0.23 -3.49 1.43 -0.06 -3.51 118.68 112.60 2hjk s LEU 64 Ca -0.13 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2hjk s LEU 64 Cb -0.07 0.94 -0.03 0.00 0.03 0.00 0.00 46.19 47.06 2hjk s LEU 64 CO 0.02 -0.18 0.04 -0.22 0.23 0.00 0.00 176.35 176.23 2hjk s LEU 65 N -0.28 3.34 -0.03 1.79 2.96 -1.26 -1.17 118.68 124.03 2hjk s LEU 65 Ca -0.04 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 2hjk s LEU 65 Cb -0.03 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 2hjk s LEU 65 CO 0.01 -0.00 0.04 -0.31 -1.32 0.00 0.00 176.35 174.77 2hjk s TYR 66 N 1.43 3.20 0.06 5.38 1.51 -0.13 -0.98 117.35 127.83 2hjk s TYR 66 Ca 0.05 0.18 -0.22 0.00 -1.01 0.00 0.00 57.07 56.07 2hjk s TYR 66 Cb -0.15 -1.74 0.05 0.00 -0.11 0.00 0.00 41.96 40.02 2hjk s TYR 66 CO 0.02 0.51 0.52 1.52 -1.11 0.00 0.00 175.55 177.02 2hjk s TYR 67 N -1.07 -0.42 -0.05 2.71 1.13 -0.30 -0.06 117.35 119.29 2hjk s TYR 67 Ca 0.19 0.42 -0.17 0.00 -1.41 0.00 0.00 57.07 56.10 2hjk s TYR 67 Cb -0.12 0.36 0.03 0.00 -1.10 0.00 0.00 41.96 41.14 2hjk s TYR 67 CO 0.09 -0.67 0.38 -0.08 -2.51 0.00 0.00 175.55 172.76 2hjk s THR 68 N -2.68 0.04 0.24 -3.49 -1.32 -0.50 -1.56 115.64 106.37 2hjk s THR 68 Ca -0.04 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.83 2hjk s THR 68 Cb -0.00 -0.65 -0.10 0.00 -1.51 0.00 0.00 72.50 70.23 2hjk s THR 68 CO -0.04 -0.17 1.48 -1.61 -2.21 0.00 0.00 174.62 172.08 2hjk s GLU 69 N -0.96 4.24 0.07 7.08 2.02 -1.26 -0.36 118.70 129.53 2hjk s GLU 69 Ca -0.10 2.35 -0.07 0.00 0.02 0.00 0.00 54.97 57.16 2hjk s GLU 69 Cb -0.04 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 31.08 2hjk s GLU 69 CO 0.04 -0.48 0.14 -0.59 0.02 0.00 0.00 175.26 174.39 2hjk s PHE 70 N 0.17 0.21 -0.31 1.61 -0.71 -0.75 -4.85 117.98 113.34 2hjk s PHE 70 Ca 0.61 -0.61 0.03 0.00 -1.04 0.00 0.00 56.93 55.93 2hjk s PHE 70 Cb -0.43 -0.12 0.09 0.00 -1.21 0.00 0.00 43.02 41.35 2hjk s PHE 70 CO 0.42 -0.47 0.02 0.99 -1.34 0.00 0.00 175.22 174.83 2hjk s THR 71 N -3.49 2.00 0.68 -4.49 2.01 -1.26 0.44 115.64 111.53 2hjk s THR 71 Ca 0.02 -1.98 -0.14 0.00 0.31 0.00 0.00 61.69 59.90 2hjk s THR 71 Cb 0.04 -2.39 0.01 0.00 0.01 0.00 0.00 72.50 70.16 2hjk s THR 71 CO -0.09 -0.45 1.10 -2.16 -0.69 0.00 0.00 174.62 172.33 2hjk s PRO 72 N 1.08 2.72 0.33 4.92 0.04 -1.26 -4.77 135.00 138.06 2hjk s PRO 72 Ca 0.05 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.47 2hjk s PRO 72 Cb -0.19 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2hjk s PRO 72 CO -0.09 -1.31 0.18 0.95 0.04 0.00 0.00 177.00 176.77 2hjk s THR 73 N -2.46 0.29 0.23 1.26 -4.23 -1.26 0.18 115.64 109.64 2hjk s THR 73 Ca 0.66 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2hjk s THR 73 Cb -0.20 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.19 2hjk s THR 73 CO 0.44 0.00 1.62 -0.08 -0.54 0.00 0.00 174.62 176.07 2hjk h GLU 74 N 2.12 0.61 0.00 3.99 4.81 -1.97 -3.36 114.58 120.79 2hjk h GLU 74 Ca -0.32 -0.28 -0.34 0.00 -0.13 0.00 0.00 59.36 58.29 2hjk h GLU 74 Cb 1.25 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.56 2hjk h GLU 74 CO 0.49 0.86 -2.15 0.36 -0.73 0.00 0.00 179.01 177.84 2hjk n LYS 75 N -4.07 0.67 -1.95 1.92 2.85 -1.26 -4.97 118.16 111.35 2hjk n LYS 75 Ca -0.01 0.11 -0.41 0.00 -1.05 0.00 0.00 58.31 56.95 2hjk n LYS 75 Cb 0.47 -1.62 -0.01 0.00 -0.65 0.00 0.00 35.03 33.22 2hjk n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2hjk s ASP 76 N -5.77 6.56 -0.13 -5.58 1.01 -1.26 -5.00 116.67 106.50 2hjk s ASP 76 Ca -0.10 2.83 -0.04 0.00 0.71 0.00 0.00 52.55 55.96 2hjk s ASP 76 Cb 0.07 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 2hjk s ASP 76 CO 0.82 -0.72 0.01 -1.61 0.21 0.00 0.00 175.17 173.88 2hjk s GLU 77 N -1.48 3.45 0.06 8.23 2.02 -1.26 -4.77 118.70 124.94 2hjk s GLU 77 Ca 0.54 -0.41 0.08 0.00 0.02 0.00 0.00 54.97 55.19 2hjk s GLU 77 Cb -0.43 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 2hjk s GLU 77 CO 0.54 0.47 -0.21 0.71 0.02 0.00 0.00 175.26 176.78 2hjk s TYR 78 N -0.22 1.86 0.13 1.61 2.02 -1.26 -0.36 117.35 121.12 2hjk s TYR 78 Ca 0.06 -0.39 -0.14 0.00 -0.37 0.00 0.00 57.07 56.23 2hjk s TYR 78 Cb -0.12 -1.09 0.02 0.00 -0.40 0.00 0.00 41.96 40.37 2hjk s TYR 78 CO 0.02 0.12 0.36 0.00 -1.57 0.00 0.00 175.55 174.48 2hjk s ALA 79 N -0.88 -0.73 -0.10 3.71 0.00 -0.91 -0.18 121.76 122.67 2hjk s ALA 79 Ca 0.08 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2hjk s ALA 79 Cb -0.09 0.68 -0.01 0.00 0.00 0.00 0.00 23.12 23.69 2hjk s ALA 79 CO 0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 175.76 174.97 2hjk s ARG 81 N 0.13 3.17 -0.07 0.00 3.52 0.67 -0.74 118.95 125.62 2hjk s ARG 81 Ca -0.09 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.78 2hjk s ARG 81 Cb -0.15 -2.63 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 2hjk s ARG 81 CO 0.06 -0.04 -0.18 0.08 -0.81 0.00 0.00 175.30 174.41 2hjk s VAL 82 N 0.94 1.56 0.04 7.11 1.01 0.04 -0.31 120.40 130.78 2hjk s VAL 82 Ca -0.03 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.30 2hjk s VAL 82 Cb -0.15 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 2hjk s VAL 82 CO -0.02 0.45 -0.25 0.21 0.00 0.00 0.00 175.10 175.48 2hjk s ASN 83 N 0.41 2.98 0.13 3.32 2.47 -0.19 -0.22 114.94 123.84 2hjk s ASN 83 Ca -0.14 -0.56 -0.15 0.00 0.42 0.00 0.00 52.86 52.43 2hjk s ASN 83 Cb -0.16 -0.27 0.03 0.00 -1.45 0.00 0.00 41.25 39.40 2hjk s ASN 83 CO 0.05 0.24 0.39 -2.28 -3.72 0.00 0.00 177.10 171.78 2hjk s HIS 84 N -0.79 -0.13 0.43 0.43 5.65 -1.26 -0.96 115.29 118.66 2hjk s HIS 84 Ca 0.11 -0.21 0.22 0.00 0.25 0.00 0.00 55.06 55.43 2hjk s HIS 84 Cb -0.10 0.23 1.19 0.00 -1.18 0.00 0.00 32.58 32.71 2hjk s HIS 84 CO 0.02 -0.71 1.80 0.28 -0.65 0.00 0.00 174.74 175.48 2hjk h VAL 85 N 2.39 0.54 0.00 0.89 2.07 -1.94 -1.72 116.25 118.48 2hjk h VAL 85 Ca -0.33 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2hjk h VAL 85 Cb 1.25 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2hjk h VAL 85 CO 0.47 0.06 0.00 0.35 0.02 0.00 0.00 177.57 178.47 2hjk n THR 86 N -4.52 0.23 -4.25 2.57 -2.24 -1.26 -4.76 114.28 100.04 2hjk n THR 86 Ca 0.24 0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.73 2hjk n THR 86 Cb 0.90 -0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 68.38 2hjk n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2hjk s LEU 87 N -2.77 3.30 0.20 3.22 1.43 -0.65 -4.98 118.68 118.43 2hjk s LEU 87 Ca 0.19 -0.14 -0.09 0.00 -1.03 0.00 0.00 54.13 53.06 2hjk s LEU 87 Cb 0.17 -1.81 0.13 0.00 0.03 0.00 0.00 46.19 44.71 2hjk s LEU 87 CO 0.42 0.13 1.76 0.77 0.23 0.00 0.00 176.35 179.67 2hjk h SER 88 N 6.98 1.00 -4.50 2.29 4.64 -1.86 -3.44 113.55 118.66 2hjk h SER 88 Ca -0.33 -0.17 -0.24 0.00 -0.47 0.00 0.00 61.79 60.58 2hjk h SER 88 Cb 1.18 -0.26 -0.15 0.00 -0.31 0.00 0.00 62.40 62.87 2hjk h SER 88 CO 0.63 0.90 -0.70 0.00 -0.87 0.00 0.00 176.83 176.79 2hjk s GLN 89 N -5.57 0.88 0.21 4.77 -2.07 -1.26 -5.13 119.66 111.49 2hjk s GLN 89 Ca -0.13 -1.36 -0.32 0.00 -1.82 0.00 0.00 55.36 51.74 2hjk s GLN 89 Cb 0.15 -0.27 -0.15 0.00 -1.09 0.00 0.00 33.01 31.65 2hjk s GLN 89 CO 0.82 -0.01 1.26 -2.30 -1.32 0.00 0.00 175.29 173.74 2hjk n PRO 90 N -0.07 1.55 -3.56 9.60 -0.02 -1.26 -4.93 135.00 136.31 2hjk n PRO 90 Ca -0.12 0.55 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 2hjk n PRO 90 Cb 0.61 -2.11 -0.07 0.00 -0.02 0.00 0.00 33.50 31.91 2hjk n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2hjk s LYS 91 N -0.49 4.09 -0.20 -0.52 2.20 0.70 -4.89 119.74 120.63 2hjk s LYS 91 Ca 0.70 0.15 -0.02 0.00 -0.36 0.00 0.00 55.97 56.43 2hjk s LYS 91 Cb -0.75 -3.36 -0.00 0.00 -1.51 0.00 0.00 37.83 32.21 2hjk s LYS 91 CO 0.52 0.39 -0.09 0.42 -0.36 0.00 0.00 175.35 176.23 2hjk s ILE 92 N -0.02 3.00 -0.17 5.43 1.01 -1.26 -0.78 121.20 128.40 2hjk s ILE 92 Ca 0.18 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 2hjk s ILE 92 Cb -0.14 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.00 2hjk s ILE 92 CO 0.06 0.46 -0.13 -0.69 0.00 0.00 0.00 174.94 174.65 2hjk s VAL 93 N 1.29 2.81 0.22 2.92 1.01 0.08 -4.97 120.40 123.76 2hjk s VAL 93 Ca 0.03 -0.71 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 2hjk s VAL 93 Cb -0.14 -2.21 -0.09 0.00 0.00 0.00 0.00 36.38 33.94 2hjk s VAL 93 CO -0.05 0.49 0.86 -0.54 0.00 0.00 0.00 175.10 175.87 2hjk s LYS 94 N 1.03 4.65 0.04 2.72 1.02 -1.26 -0.41 119.74 127.52 2hjk s LYS 94 Ca -0.01 1.29 -0.30 0.00 0.02 0.00 0.00 55.97 56.96 2hjk s LYS 94 Cb -0.15 -3.16 -0.07 0.00 -0.52 0.00 0.00 37.83 33.94 2hjk s LYS 94 CO -0.03 0.49 1.52 -0.46 -0.92 0.00 0.00 175.35 175.96 2hjk s TRP 95 N -1.27 2.66 -0.26 3.18 -0.00 0.75 -4.88 118.94 119.11 2hjk s TRP 95 Ca 0.41 0.58 -0.03 0.00 -0.00 0.00 0.00 56.10 57.06 2hjk s TRP 95 Cb -0.23 -3.81 0.02 0.00 -0.00 0.00 0.00 33.47 29.45 2hjk s TRP 95 CO 0.28 -3.13 -0.03 0.34 -0.00 0.00 0.00 176.95 174.41 2hjk s ASP 96 N 2.11 4.52 0.00 5.86 -1.08 -1.26 -4.78 116.67 122.04 2hjk s ASP 96 Ca 0.69 -0.85 0.03 0.00 -0.52 0.00 0.00 52.55 51.90 2hjk s ASP 96 Cb -0.36 -1.72 0.14 0.00 -1.46 0.00 0.00 42.92 39.52 2hjk s ASP 96 CO 0.29 -0.15 1.02 -2.11 0.52 0.00 0.00 175.17 174.74 2hjk n ARG 97 N 4.71 0.02 -0.60 4.34 1.85 -1.26 -1.52 116.66 124.20 2hjk n ARG 97 Ca -0.16 0.37 0.08 0.00 -1.00 0.00 0.00 57.85 57.14 2hjk n ARG 97 Cb 0.47 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.70 2hjk n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2hjk n ASP 98 N -1.41 4.56 0.00 2.89 8.00 -1.26 -4.79 116.55 124.54 2hjk n ASP 98 Ca 0.01 -2.77 0.00 0.00 0.71 0.00 0.00 54.79 52.74 2hjk n ASP 98 Cb 0.03 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2hjk n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04