#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr7 s ALA 2 N 0.00 3.07 -0.21 3.04 0.00 -1.26 -5.00 121.76 121.39 2jr7 s ALA 2 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 51.96 52.11 2jr7 s ALA 2 Cb 0.00 -3.10 0.43 0.00 0.00 0.00 0.00 23.12 20.45 2jr7 s ALA 2 CO 0.00 -0.50 1.21 0.28 0.00 0.00 0.00 175.76 176.75 2jr7 n VAL 3 N -2.23 2.16 -3.90 0.00 0.31 -1.26 -5.05 118.33 108.36 2jr7 n VAL 3 Ca 0.06 -3.30 -0.25 0.00 -0.01 0.00 0.00 64.34 60.84 2jr7 n VAL 3 Cb 0.54 -0.31 -0.03 0.00 -0.91 0.00 0.00 33.84 33.13 2jr7 n VAL 3 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2jr7 s PHE 4 N -3.16 2.01 -0.09 3.52 0.40 -1.26 -4.99 117.98 114.40 2jr7 s PHE 4 Ca 0.40 -0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 55.96 2jr7 s PHE 4 Cb 0.38 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.94 2jr7 s PHE 4 CO -0.06 -0.27 -0.05 1.25 0.70 0.00 0.00 175.22 176.79 2jr7 h HIS 5 N 0.94 0.00 -1.73 0.36 2.76 -1.83 -3.50 115.15 112.16 2jr7 h HIS 5 Ca -0.39 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 57.81 2jr7 h HIS 5 Cb 1.29 0.00 -0.25 0.00 1.55 0.00 0.00 27.41 30.00 2jr7 h HIS 5 CO 0.85 0.00 0.34 -0.51 -1.30 0.00 0.00 177.93 177.31 2jr7 s ASP 6 N -5.12 -0.55 -0.05 3.26 1.01 -1.26 -5.07 116.67 108.89 2jr7 s ASP 6 Ca -0.04 1.06 -0.19 0.00 0.71 0.00 0.00 52.55 54.08 2jr7 s ASP 6 Cb 0.01 1.08 -0.05 0.00 1.01 0.00 0.00 42.92 44.97 2jr7 s ASP 6 CO 0.06 -0.18 0.54 -1.61 0.21 0.00 0.00 175.17 174.19 2jr7 s GLU 7 N 0.33 4.29 0.00 8.23 8.01 -1.26 -2.94 118.70 135.36 2jr7 s GLU 7 Ca 0.02 0.60 0.02 0.00 0.01 0.00 0.00 54.97 55.62 2jr7 s GLU 7 Cb -0.05 -3.38 -0.01 0.00 -4.31 0.00 0.00 34.13 26.39 2jr7 s GLU 7 CO -0.04 0.29 -0.08 0.08 0.01 0.00 0.00 175.26 175.52 2jr7 s VAL 8 N 0.13 0.62 0.33 2.63 1.01 -0.09 -4.95 120.40 120.07 2jr7 s VAL 8 Ca 0.29 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.53 2jr7 s VAL 8 Cb -0.17 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.56 2jr7 s VAL 8 CO 0.14 0.10 1.30 -1.61 0.00 0.00 0.00 175.10 175.03 2jr7 s GLU 9 N -0.40 4.37 0.50 2.72 2.02 -1.26 -1.42 118.70 125.23 2jr7 s GLU 9 Ca 0.01 2.20 0.23 0.00 0.02 0.00 0.00 54.97 57.44 2jr7 s GLU 9 Cb -0.04 -3.08 1.31 0.00 0.10 0.00 0.00 34.13 32.43 2jr7 s GLU 9 CO -0.00 -0.18 1.96 0.97 0.02 0.00 0.00 175.26 178.04 2jr7 h ILE 10 N 3.05 0.73 -0.46 -1.63 6.09 0.45 0.25 117.51 125.98 2jr7 h ILE 10 Ca -0.49 -0.04 0.02 0.00 -1.37 0.00 0.00 64.86 62.99 2jr7 h ILE 10 Cb 1.23 0.61 -0.02 0.00 0.47 0.00 0.00 36.82 39.10 2jr7 h ILE 10 CO 0.66 0.02 0.31 -0.08 -3.07 0.00 0.00 178.15 175.98 2jr7 h GLU 11 N 0.11 0.53 0.00 2.19 4.81 -1.91 -1.23 114.58 119.08 2jr7 h GLU 11 Ca 0.30 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.38 2jr7 h GLU 11 Cb 1.05 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 2jr7 h GLU 11 CO -0.04 0.35 -0.56 0.22 -0.73 0.00 0.00 179.01 178.25 2jr7 h ASP 12 N 0.55 0.00 -3.63 1.04 3.58 -1.31 -3.45 116.42 113.19 2jr7 h ASP 12 Ca 0.18 0.00 -0.45 0.00 0.42 0.00 0.00 57.03 57.18 2jr7 h ASP 12 Cb 0.05 0.00 0.18 0.00 1.72 0.00 0.00 39.33 41.28 2jr7 h ASP 12 CO -0.04 0.56 0.12 -0.36 -2.88 0.00 0.00 179.24 176.64 2jr7 s PHE 13 N -3.52 1.78 -0.40 0.28 0.40 -0.47 -5.00 117.98 111.07 2jr7 s PHE 13 Ca -0.00 1.08 -0.12 0.00 -0.60 0.00 0.00 56.93 57.29 2jr7 s PHE 13 Cb 0.12 -3.19 0.04 0.00 0.51 0.00 0.00 43.02 40.49 2jr7 s PHE 13 CO 0.74 -3.30 0.25 -0.65 0.70 0.00 0.00 175.22 172.96 2jr7 s GLN 14 N -4.75 2.84 0.11 0.44 -0.21 -1.15 -4.94 119.66 112.00 2jr7 s GLN 14 Ca 0.67 -1.14 -0.31 0.00 0.02 0.00 0.00 55.36 54.59 2jr7 s GLN 14 Cb -0.21 -3.83 -0.09 0.00 1.00 0.00 0.00 33.01 29.88 2jr7 s GLN 14 CO 0.60 -0.77 1.55 -0.47 -2.12 0.00 0.00 175.29 174.08 2jr7 s TYR 15 N 1.57 2.87 -0.63 0.91 5.04 -1.26 -3.45 117.35 122.39 2jr7 s TYR 15 Ca 0.03 0.59 -0.11 0.00 -2.44 0.00 0.00 57.07 55.14 2jr7 s TYR 15 Cb -0.20 -3.88 0.16 0.00 0.35 0.00 0.00 41.96 38.39 2jr7 s TYR 15 CO 0.07 -3.32 0.54 0.34 -1.34 0.00 0.00 175.55 171.84 2jr7 s ASP 16 N 1.61 6.10 0.58 4.32 2.15 0.20 -4.92 116.67 126.70 2jr7 s ASP 16 Ca 0.70 -2.31 0.28 0.00 0.43 0.00 0.00 52.55 51.64 2jr7 s ASP 16 Cb -0.40 -2.10 1.62 0.00 -0.30 0.00 0.00 42.92 41.74 2jr7 s ASP 16 CO 0.31 -0.63 2.10 1.05 -0.17 0.00 0.00 175.17 177.83 2jr7 h GLU 17 N 8.07 0.00 -0.56 4.34 4.11 -1.93 0.48 114.58 129.10 2jr7 h GLU 17 Ca -0.09 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.45 2jr7 h GLU 17 Cb 1.05 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.19 2jr7 h GLU 17 CO 0.84 0.00 -0.22 0.22 0.07 0.00 0.00 179.01 179.92 2jr7 h ASP 18 N 0.00 -0.78 -0.06 3.06 3.58 -1.96 -3.34 116.42 116.91 2jr7 h ASP 18 Ca 0.09 0.19 -0.17 0.00 0.42 0.00 0.00 57.03 57.56 2jr7 h ASP 18 Cb 0.47 0.44 -0.24 0.00 1.72 0.00 0.00 39.33 41.72 2jr7 h ASP 18 CO -0.00 -0.25 -0.60 -0.24 -2.88 0.00 0.00 179.24 175.27 2jr7 n SER 19 N -5.42 -0.22 -3.24 2.28 2.88 -1.04 -5.06 113.62 103.80 2jr7 n SER 19 Ca 0.05 -2.05 -0.14 0.00 -1.33 0.00 0.00 58.87 55.40 2jr7 n SER 19 Cb 0.33 0.12 0.01 0.00 -0.75 0.00 0.00 64.21 63.92 2jr7 n SER 19 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2jr7 n GLU 20 N -0.30 -1.76 -4.02 -1.46 1.02 0.17 -4.82 120.64 109.47 2jr7 n GLU 20 Ca -0.12 1.50 -0.10 0.00 -0.02 0.00 0.00 57.16 58.41 2jr7 n GLU 20 Cb 0.87 -4.38 -0.11 0.00 -0.02 0.00 0.00 31.44 27.79 2jr7 n GLU 20 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2jr7 s THR 21 N -2.64 0.29 -0.04 2.62 2.01 -1.07 -1.66 115.64 115.15 2jr7 s THR 21 Ca 0.13 -1.08 0.06 0.00 0.31 0.00 0.00 61.69 61.12 2jr7 s THR 21 Cb -0.03 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 2jr7 s THR 21 CO 0.81 -0.51 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.69 2jr7 s TYR 22 N -1.71 2.14 0.14 4.92 1.51 0.93 0.58 117.35 125.86 2jr7 s TYR 22 Ca -0.11 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.48 2jr7 s TYR 22 Cb -0.08 -1.40 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2jr7 s TYR 22 CO -0.01 -0.12 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.13 2jr7 s PHE 23 N -0.33 1.35 -0.03 2.71 0.40 -1.22 0.33 117.98 121.19 2jr7 s PHE 23 Ca 0.03 -0.63 -0.01 0.00 -0.60 0.00 0.00 56.93 55.72 2jr7 s PHE 23 Cb -0.11 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 42.75 2jr7 s PHE 23 CO 0.01 0.13 0.05 -0.47 0.70 0.00 0.00 175.22 175.65 2jr7 s TYR 24 N -2.63 -0.04 0.14 0.36 5.04 -1.05 -2.91 117.35 116.27 2jr7 s TYR 24 Ca 0.12 0.18 -0.32 0.00 -2.44 0.00 0.00 57.07 54.61 2jr7 s TYR 24 Cb -0.02 -0.10 -0.12 0.00 0.35 0.00 0.00 41.96 42.07 2jr7 s TYR 24 CO 0.02 -0.07 1.74 -2.30 -1.34 0.00 0.00 175.55 173.60 2jr7 n PRO 25 N 3.70 2.57 -4.05 4.97 -0.02 -1.26 0.60 135.00 141.51 2jr7 n PRO 25 Ca -0.21 0.93 -0.36 0.00 -2.02 0.00 0.00 63.50 61.84 2jr7 n PRO 25 Cb 0.54 -2.77 -0.08 0.00 -0.02 0.00 0.00 33.50 31.17 2jr7 n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jr7 n PRO 27 N 2.33 2.39 0.00 0.00 -0.04 -1.26 -3.23 135.00 135.19 2jr7 n PRO 27 Ca -0.19 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 2jr7 n PRO 27 Cb 0.54 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2jr7 n PRO 27 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jr7 n GLY 29 N -1.07 0.02 3.74 0.00 0.00 -1.20 -5.16 105.19 101.51 2jr7 n GLY 29 Ca 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 2jr7 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jr7 n ASP 30 N 0.00 0.92 -4.17 1.61 8.00 -1.26 -4.88 116.55 116.77 2jr7 n ASP 30 Ca 0.00 -1.90 -0.23 0.00 0.71 0.00 0.00 54.79 53.37 2jr7 n ASP 30 Cb 0.00 -0.74 -0.15 0.00 -0.02 0.00 0.00 41.12 40.22 2jr7 n ASP 30 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 2jr7 s ASN 31 N -5.17 1.98 1.11 -2.24 -0.87 -1.26 -2.04 114.94 106.45 2jr7 s ASN 31 Ca 0.67 -0.38 -0.13 0.00 -1.57 0.00 0.00 52.86 51.45 2jr7 s ASN 31 Cb -0.03 -0.19 0.24 0.00 -0.02 0.00 0.00 41.25 41.25 2jr7 s ASN 31 CO 0.45 0.15 0.92 0.49 -2.57 0.00 0.00 177.10 176.55 2jr7 n PHE 32 N 2.31 -0.85 -3.73 2.20 3.72 0.20 -4.14 117.46 117.17 2jr7 n PHE 32 Ca -0.16 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.11 2jr7 n PHE 32 Cb 0.54 -1.75 -0.10 0.00 -0.94 0.00 0.00 39.48 37.23 2jr7 n PHE 32 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2jr7 s SER 33 N -2.38 -0.42 -0.19 4.37 1.04 -1.22 -2.52 113.70 112.38 2jr7 s SER 33 Ca 0.67 0.80 -0.08 0.00 0.48 0.00 0.00 55.95 57.82 2jr7 s SER 33 Cb -0.24 0.80 0.08 0.00 0.10 0.00 0.00 66.02 66.76 2jr7 s SER 33 CO 0.64 -0.14 0.43 -0.51 0.98 0.00 0.00 173.24 174.63 2jr7 s ILE 34 N 0.32 -0.36 0.51 -1.02 2.07 0.15 -3.63 121.20 119.23 2jr7 s ILE 34 Ca -0.01 0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.16 2jr7 s ILE 34 Cb -0.03 -0.66 -0.07 0.00 0.13 0.00 0.00 42.46 41.83 2jr7 s ILE 34 CO -0.01 0.05 1.09 0.42 -1.91 0.00 0.00 174.94 174.59 2jr7 s THR 35 N 2.07 3.44 0.26 4.00 -4.23 -1.26 -0.05 115.64 119.86 2jr7 s THR 35 Ca -0.05 0.92 -0.05 0.00 -1.18 0.00 0.00 61.69 61.33 2jr7 s THR 35 Cb -0.10 -3.39 0.24 0.00 1.34 0.00 0.00 72.50 70.60 2jr7 s THR 35 CO -0.13 -0.17 1.92 0.50 -0.54 0.00 0.00 174.62 176.20 2jr7 h LYS 36 N 1.49 1.22 -0.73 3.99 3.11 -1.64 -2.32 116.57 121.68 2jr7 h LYS 36 Ca -0.50 -0.10 -0.01 0.00 -2.81 0.00 0.00 60.65 57.24 2jr7 h LYS 36 Cb 1.24 -0.26 -0.04 0.00 -1.00 0.00 0.00 32.23 32.17 2jr7 h LYS 36 CO 0.58 0.83 0.41 1.49 -2.81 0.00 0.00 179.45 179.95 2jr7 h GLU 37 N 1.24 1.01 -0.68 1.90 4.81 -1.93 -2.45 114.58 118.49 2jr7 h GLU 37 Ca 0.33 -0.11 0.06 0.00 -0.13 0.00 0.00 59.36 59.52 2jr7 h GLU 37 Cb -0.09 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.03 2jr7 h GLU 37 CO -0.07 0.74 0.37 -0.44 -0.73 0.00 0.00 179.01 178.88 2jr7 h ASP 38 N 1.02 0.54 -0.74 1.04 5.19 -1.71 -0.64 116.42 121.12 2jr7 h ASP 38 Ca 0.26 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 2jr7 h ASP 38 Cb 0.01 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.42 2jr7 h ASP 38 CO -0.04 0.35 0.40 -0.07 -3.12 0.00 0.00 179.24 176.75 2jr7 h LEU 39 N 0.68 0.93 -1.36 1.55 3.38 -1.40 0.52 115.31 119.61 2jr7 h LEU 39 Ca 0.31 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 2jr7 h LEU 39 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2jr7 h LEU 39 CO -0.20 0.77 -0.31 -0.33 0.09 0.00 0.00 178.44 178.46 2jr7 h GLU 40 N 1.03 0.00 0.18 1.13 5.08 -1.08 -3.16 114.58 117.76 2jr7 h GLU 40 Ca 0.26 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.27 2jr7 h GLU 40 Cb 0.05 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2jr7 h GLU 40 CO -0.04 0.31 -1.77 -0.91 -1.00 0.00 0.00 179.01 175.60 2jr7 h ASN 41 N 0.00 0.59 0.00 1.42 4.21 -0.53 -3.42 115.58 117.85 2jr7 h ASN 41 Ca -0.00 -0.91 0.00 0.00 1.21 0.00 0.00 56.30 56.60 2jr7 h ASN 41 Cb 0.62 -0.19 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 2jr7 h ASN 41 CO 0.04 1.77 0.00 0.61 -1.29 0.00 0.00 177.43 178.56 2jr7 n GLY 42 N 1.86 0.59 3.58 2.83 0.00 0.87 -5.07 105.19 109.85 2jr7 n GLY 42 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 2jr7 n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jr7 s GLU 43 N 0.00 2.69 -0.56 1.61 0.41 0.15 -4.75 118.70 118.25 2jr7 s GLU 43 Ca 0.00 -1.18 -0.02 0.00 -0.41 0.00 0.00 54.97 53.36 2jr7 s GLU 43 Cb 0.00 -5.26 0.37 0.00 -1.78 0.00 0.00 34.13 27.46 2jr7 s GLU 43 CO 0.00 -3.70 2.03 -0.40 -0.49 0.00 0.00 175.26 172.70 2jr7 n ASP 44 N 13.56 7.30 -3.98 -0.19 5.68 -1.26 -3.75 116.55 133.92 2jr7 n ASP 44 Ca 0.45 -3.55 -0.24 0.00 -0.50 0.00 0.00 54.79 50.95 2jr7 n ASP 44 Cb 0.47 -1.00 -0.17 0.00 -1.14 0.00 0.00 41.12 39.28 2jr7 n ASP 44 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2jr7 s VAL 45 N -4.00 0.96 -0.04 2.12 0.11 -1.26 -1.18 120.40 117.11 2jr7 s VAL 45 Ca 0.54 -0.36 0.03 0.00 -2.93 0.00 0.00 61.98 59.26 2jr7 s VAL 45 Cb 0.42 -0.91 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 2jr7 s VAL 45 CO -0.01 0.32 -0.12 0.00 -3.33 0.00 0.00 175.10 171.97 2jr7 s ALA 46 N 0.83 2.79 -0.08 1.54 0.00 -0.70 -4.87 121.76 121.27 2jr7 s ALA 46 Ca -0.12 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2jr7 s ALA 46 Cb -0.15 -1.04 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2jr7 s ALA 46 CO 0.02 0.57 -0.23 0.99 0.00 0.00 0.00 175.76 177.10 2jr7 s THR 47 N -0.80 2.17 0.14 0.00 2.01 -1.24 -2.17 115.64 115.75 2jr7 s THR 47 Ca 0.13 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 2jr7 s THR 47 Cb -0.11 -1.81 -0.07 0.00 0.01 0.00 0.00 72.50 70.52 2jr7 s THR 47 CO 0.02 0.56 1.16 0.00 -0.69 0.00 0.00 174.62 175.68 2jr7 n PRO 49 N 2.97 2.41 0.13 0.00 -0.04 -1.26 -1.52 135.00 137.69 2jr7 n PRO 49 Ca 0.05 -1.31 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 2jr7 n PRO 49 Cb 0.46 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 2jr7 n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jr7 n SER 50 N 2.84 -2.36 -0.01 3.54 2.88 -1.26 -4.94 113.62 114.31 2jr7 n SER 50 Ca 0.52 0.58 0.05 0.00 -1.33 0.00 0.00 58.87 58.69 2jr7 n SER 50 Cb 0.69 2.37 -0.14 0.00 -0.75 0.00 0.00 64.21 66.38 2jr7 n SER 50 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jr7 n SER 52 N -2.48 -3.45 -3.06 0.00 2.88 -0.57 -4.99 113.62 101.95 2jr7 n SER 52 Ca -0.11 -0.22 -0.16 0.00 -1.33 0.00 0.00 58.87 57.05 2jr7 n SER 52 Cb 0.73 -2.33 0.12 0.00 -0.75 0.00 0.00 64.21 61.97 2jr7 n SER 52 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jr7 n LEU 53 N -2.31 0.00 -3.93 2.46 4.32 -1.26 -4.76 117.00 111.52 2jr7 n LEU 53 Ca -0.02 -0.77 -0.12 0.00 -0.02 0.00 0.00 56.01 55.09 2jr7 n LEU 53 Cb 0.53 -0.56 -0.13 0.00 -1.62 0.00 0.00 43.42 41.64 2jr7 n LEU 53 CO 0.26 -1.19 -0.37 0.27 -1.22 0.00 0.00 177.39 175.14 2jr7 s ILE 54 N -2.48 0.13 -0.02 -0.08 -4.36 -1.25 -3.66 121.20 109.48 2jr7 s ILE 54 Ca 0.41 -0.38 -0.11 0.00 -0.26 0.00 0.00 60.65 60.32 2jr7 s ILE 54 Cb -0.02 -0.18 0.01 0.00 1.25 0.00 0.00 42.46 43.53 2jr7 s ILE 54 CO 0.30 -0.16 0.23 0.27 0.24 0.00 0.00 174.94 175.82 2jr7 s ILE 55 N -0.54 0.06 -0.08 8.37 -4.36 -0.92 -2.17 121.20 121.54 2jr7 s ILE 55 Ca -0.05 -0.46 -0.16 0.00 -0.26 0.00 0.00 60.65 59.72 2jr7 s ILE 55 Cb -0.04 -0.49 -0.05 0.00 1.25 0.00 0.00 42.46 43.14 2jr7 s ILE 55 CO -0.00 -0.25 0.42 -0.75 0.24 0.00 0.00 174.94 174.59 2jr7 s LYS 56 N -1.03 4.18 -0.31 0.37 2.36 -1.15 -1.73 119.74 122.42 2jr7 s LYS 56 Ca -0.11 0.37 -0.08 0.00 -2.55 0.00 0.00 55.97 53.60 2jr7 s LYS 56 Cb -0.05 -3.36 0.01 0.00 -1.05 0.00 0.00 37.83 33.38 2jr7 s LYS 56 CO 0.02 0.36 0.11 0.08 1.55 0.00 0.00 175.35 177.48 2jr7 s VAL 57 N -0.01 4.14 -0.10 4.02 1.01 -0.33 -0.92 120.40 128.22 2jr7 s VAL 57 Ca 0.23 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 2jr7 s VAL 57 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2jr7 s VAL 57 CO 0.10 0.01 0.32 -0.63 0.00 0.00 0.00 175.10 174.91 2jr7 s ILE 58 N 1.52 5.23 0.37 2.22 -1.09 -0.50 -4.81 121.20 124.13 2jr7 s ILE 58 Ca 0.02 0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 58.96 2jr7 s ILE 58 Cb -0.18 -3.64 0.04 0.00 -1.58 0.00 0.00 42.46 37.10 2jr7 s ILE 58 CO 0.04 0.48 0.69 -0.72 -1.23 0.00 0.00 174.94 174.20 2jr7 s TYR 59 N -0.28 0.41 -0.79 3.97 -0.85 -1.26 0.11 117.35 118.65 2jr7 s TYR 59 Ca 0.20 -0.94 -0.26 0.00 -0.52 0.00 0.00 57.07 55.55 2jr7 s TYR 59 Cb -0.14 0.54 0.04 0.00 0.38 0.00 0.00 41.96 42.78 2jr7 s TYR 59 CO 0.08 -1.43 1.29 0.34 -1.52 0.00 0.00 175.55 174.31 2jr7 s ASP 60 N -3.12 6.23 0.48 -0.18 -1.08 -1.26 -4.85 116.67 112.90 2jr7 s ASP 60 Ca 0.20 -0.68 0.15 0.00 -0.52 0.00 0.00 52.55 51.70 2jr7 s ASP 60 Cb -0.04 -2.55 1.14 0.00 -1.46 0.00 0.00 42.92 40.01 2jr7 s ASP 60 CO 0.14 -1.75 2.07 0.11 0.52 0.00 0.00 175.17 176.26 2jr7 h LYS 61 N 9.95 0.00 -0.11 4.34 1.79 -1.96 0.29 116.57 130.87 2jr7 h LYS 61 Ca -0.19 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.17 2jr7 h LYS 61 Cb 1.04 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 2jr7 h LYS 61 CO 1.30 0.09 -0.42 0.22 -1.08 0.00 0.00 179.45 179.56 2jr7 h ASP 62 N 0.00 0.27 0.10 0.86 1.82 -1.89 0.53 116.42 118.11 2jr7 h ASP 62 Ca -0.00 -0.11 -0.20 0.00 -0.39 0.00 0.00 57.03 56.33 2jr7 h ASP 62 Cb 0.17 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.11 2jr7 h ASP 62 CO 0.01 0.66 -0.95 1.56 -1.61 0.00 0.00 179.24 178.91 2jr7 h GLN 63 N 0.21 0.22 -0.16 0.28 1.08 -1.70 -3.36 115.11 111.67 2jr7 h GLN 63 Ca 0.02 -0.37 -0.15 0.00 -1.45 0.00 0.00 58.65 56.69 2jr7 h GLN 63 Cb 0.84 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 2jr7 h GLN 63 CO 0.07 1.18 -0.50 0.74 -0.95 0.00 0.00 178.83 179.36 2jr7 h PHE 64 N -0.48 0.82 -3.54 2.96 -1.00 -1.01 -3.38 116.94 111.30 2jr7 h PHE 64 Ca -0.20 -0.33 -0.75 0.00 2.81 0.00 0.00 57.97 59.50 2jr7 h PHE 64 Cb 1.57 -0.14 -0.31 0.00 3.61 0.00 0.00 35.95 40.68 2jr7 h PHE 64 CO 0.18 1.11 0.06 0.08 -1.61 0.00 0.00 178.31 178.13 2jr7 s VAL 65 N -3.87 5.01 -0.26 -0.55 1.01 0.18 -4.68 120.40 117.23 2jr7 s VAL 65 Ca -0.12 -3.28 0.07 0.00 0.00 0.00 0.00 61.98 58.65 2jr7 s VAL 65 Cb 0.07 -4.09 0.23 0.00 0.00 0.00 0.00 36.38 32.59 2jr7 s VAL 65 CO 0.84 -1.07 1.14 -0.24 0.00 0.00 0.00 175.10 175.78 2jr7 n SER 66 N 2.99 -1.11 0.01 3.32 2.88 -1.26 -4.53 113.62 115.94 2jr7 n SER 66 Ca 0.18 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 2jr7 n SER 66 Cb 0.40 0.63 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 2jr7 n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jr7 n GLY 67 N -0.77 -0.08 2.04 0.46 0.00 -1.26 -4.89 105.19 100.68 2jr7 n GLY 67 Ca -0.12 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2jr7 n GLY 67 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2jr7 n GLU 68 N -2.59 2.36 -3.68 1.61 2.13 -1.26 -4.80 120.64 114.42 2jr7 n GLU 68 Ca 0.00 -3.19 -0.35 0.00 0.66 0.00 0.00 57.16 54.28 2jr7 n GLU 68 Cb 0.00 -2.14 -0.07 0.00 0.27 0.00 0.00 31.44 29.49 2jr7 n GLU 68 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2jr7 s THR 69 N -3.77 4.11 -0.29 6.31 2.01 -1.26 -5.00 115.64 117.75 2jr7 s THR 69 Ca 0.56 -3.97 -0.21 0.00 0.31 0.00 0.00 61.69 58.38 2jr7 s THR 69 Cb 0.47 -3.57 0.13 0.00 0.01 0.00 0.00 72.50 69.55 2jr7 s THR 69 CO 0.05 -1.08 1.03 0.54 -0.69 0.00 0.00 174.62 174.47 2jr7 s VAL 70 N -1.41 0.00 0.50 3.82 0.11 -1.26 -5.06 120.40 117.11 2jr7 s VAL 70 Ca 0.27 0.00 -0.19 0.00 -2.93 0.00 0.00 61.98 59.13 2jr7 s VAL 70 Cb -0.06 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.71 2jr7 s VAL 70 CO -0.13 0.00 1.03 -2.16 -3.33 0.00 0.00 175.10 170.50 2jr7 s PRO 71 N 0.68 3.78 0.51 1.54 0.04 -1.26 -5.04 135.00 135.26 2jr7 s PRO 71 Ca -0.02 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.11 2jr7 s PRO 71 Cb -0.04 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 2jr7 s PRO 71 CO -0.10 -0.43 1.06 0.00 0.04 0.00 0.00 177.00 177.57 2jr7 s ALA 72 N -2.12 2.81 -0.84 8.56 0.00 -1.26 -4.87 121.76 124.04 2jr7 s ALA 72 Ca 0.66 0.64 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 2jr7 s ALA 72 Cb -0.15 -3.28 -0.18 0.00 0.00 0.00 0.00 23.12 19.51 2jr7 s ALA 72 CO 0.22 -0.48 2.28 -2.30 0.00 0.00 0.00 175.76 175.48 2jr7 n PRO 73 N -1.15 0.38 -2.40 0.00 -0.02 -1.26 -3.98 135.00 126.56 2jr7 n PRO 73 Ca 0.10 -0.83 -0.05 0.00 -2.02 0.00 0.00 63.50 60.70 2jr7 n PRO 73 Cb 0.52 -3.23 -0.04 0.00 -0.02 0.00 0.00 33.50 30.73 2jr7 n PRO 73 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jr7 n SER 74 N 16.44 -0.86 -4.48 2.55 7.64 -1.26 -5.07 113.62 128.58 2jr7 n SER 74 Ca 0.47 1.15 -0.26 0.00 1.01 0.00 0.00 58.87 61.24 2jr7 n SER 74 Cb 0.39 -4.59 -0.11 0.00 -1.01 0.00 0.00 64.21 58.90 2jr7 n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jr7 s ALA 75 N -0.55 2.69 0.24 -0.43 0.00 -1.26 -5.07 121.76 117.38 2jr7 s ALA 75 Ca -0.24 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2jr7 s ALA 75 Cb 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.68 2jr7 s ALA 75 CO 0.64 0.42 0.00 0.09 0.00 0.00 0.00 175.76 176.91 2jr7 n ASN 76 N 0.09 -6.43 -3.85 0.00 4.13 -1.26 -4.89 115.26 103.05 2jr7 n ASN 76 Ca -0.11 1.11 -0.24 0.00 1.68 0.00 0.00 54.58 57.01 2jr7 n ASN 76 Cb 0.56 -3.12 -0.17 0.00 -1.54 0.00 0.00 39.78 35.51 2jr7 n ASN 76 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2jr7 s LYS 77 N -1.80 1.06 -0.35 3.52 -2.85 -1.26 -5.09 119.74 112.96 2jr7 s LYS 77 Ca 0.00 -0.08 -0.00 0.00 -1.00 0.00 0.00 55.97 54.88 2jr7 s LYS 77 Cb 0.00 -1.24 0.13 0.00 -2.06 0.00 0.00 37.83 34.66 2jr7 s LYS 77 CO 0.00 -0.26 0.19 -2.00 0.10 0.00 0.00 175.35 173.38 2jr7 s GLU 78 N 1.73 0.64 -0.42 1.78 2.12 -1.26 -5.02 118.70 118.28 2jr7 s GLU 78 Ca 0.03 -1.29 0.08 0.00 0.36 0.00 0.00 54.97 54.15 2jr7 s GLU 78 Cb -0.13 -1.55 0.26 0.00 0.26 0.00 0.00 34.13 32.98 2jr7 s GLU 78 CO -0.06 -1.14 0.67 1.47 -0.54 0.00 0.00 175.26 175.66 2jr7 n LEU 79 N 4.25 -0.63 -3.97 2.70 -0.00 -1.26 -5.05 117.00 113.03 2jr7 n LEU 79 Ca 0.07 -4.34 -0.31 0.00 -0.00 0.00 0.00 56.01 51.43 2jr7 n LEU 79 Cb 0.38 0.71 -0.12 0.00 -0.00 0.00 0.00 43.42 44.39 2jr7 n LEU 79 CO 0.14 2.08 -0.07 -0.69 -0.00 0.00 0.00 177.39 178.85 2jr7 s VAL 80 N -0.80 2.98 -0.79 1.47 1.01 -1.26 -5.05 120.40 117.96 2jr7 s VAL 80 Ca 0.34 -3.56 -0.21 0.00 0.00 0.00 0.00 61.98 58.55 2jr7 s VAL 80 Cb 0.21 -2.99 0.09 0.00 0.00 0.00 0.00 36.38 33.69 2jr7 s VAL 80 CO -0.14 -0.89 1.08 -0.75 0.00 0.00 0.00 175.10 174.40 2jr7 s LYS 81 N -0.64 3.33 0.15 2.72 2.20 -1.26 -5.01 119.74 121.23 2jr7 s LYS 81 Ca 0.20 -1.17 -0.31 0.00 -0.36 0.00 0.00 55.97 54.33 2jr7 s LYS 81 Cb -0.18 -4.58 -0.08 0.00 -1.51 0.00 0.00 37.83 31.48 2jr7 s LYS 81 CO -0.06 -1.85 1.32 -1.17 -0.36 0.00 0.00 175.35 173.23 2jr7 s LEU 82 N 3.72 4.40 0.68 5.43 1.98 -1.26 -4.99 118.68 128.63 2jr7 s LEU 82 Ca 0.29 2.33 -0.17 0.00 -2.89 0.00 0.00 54.13 53.69 2jr7 s LEU 82 Cb -0.11 -3.60 0.01 0.00 0.66 0.00 0.00 46.19 43.15 2jr7 s LEU 82 CO 0.01 -0.56 1.23 -0.70 -1.89 0.00 0.00 176.35 174.44 2jr7 s GLU 83 N 0.42 2.45 0.00 1.98 -6.30 -1.26 -5.34 118.70 110.66 2jr7 s GLU 83 Ca 0.59 1.84 0.20 0.00 -2.50 0.00 0.00 54.97 55.11 2jr7 s GLU 83 Cb -0.36 -1.86 0.16 0.00 0.00 0.00 0.00 34.13 32.07 2jr7 s GLU 83 CO 0.34 -1.61 1.14 1.58 0.02 0.00 0.00 175.26 176.73