#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxb n MET 2 N 0.00 0.00 -4.27 1.57 2.00 -1.26 -5.09 117.12 110.07 2jxb n MET 2 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 57.70 57.49 2jxb n MET 2 Cb 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 33.22 32.48 2jxb n MET 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2jxb s LYS 3 N -1.92 1.10 -0.23 0.03 -2.85 -1.26 -5.13 119.74 109.48 2jxb s LYS 3 Ca 0.00 -1.22 -0.07 0.00 -1.00 0.00 0.00 55.97 53.68 2jxb s LYS 3 Cb 0.00 -1.20 -0.03 0.00 -2.06 0.00 0.00 37.83 34.54 2jxb s LYS 3 CO 0.00 0.26 0.07 -1.83 0.10 0.00 0.00 175.35 173.95 2jxb s GLU 4 N -2.28 3.73 0.11 1.78 1.03 -1.26 -5.09 118.70 116.72 2jxb s GLU 4 Ca 0.08 -0.45 0.02 0.00 0.03 0.00 0.00 54.97 54.65 2jxb s GLU 4 Cb -0.08 -3.31 -0.04 0.00 -0.80 0.00 0.00 34.13 29.90 2jxb s GLU 4 CO 0.04 -0.09 -0.06 1.03 -1.33 0.00 0.00 175.26 174.86 2jxb s ARG 5 N 1.34 0.86 0.96 -4.83 0.52 -1.26 -5.16 118.95 111.39 2jxb s ARG 5 Ca 0.05 -1.36 -0.12 0.00 -0.52 0.00 0.00 55.73 53.79 2jxb s ARG 5 Cb -0.15 -0.21 0.17 0.00 0.52 0.00 0.00 34.95 35.28 2jxb s ARG 5 CO 0.04 -0.03 1.09 -1.25 0.02 0.00 0.00 175.30 175.17 2jxb s PRO 6 N -3.84 0.70 0.97 3.54 0.04 -1.26 -5.04 135.00 130.12 2jxb s PRO 6 Ca 0.13 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 2jxb s PRO 6 Cb 0.05 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 33.01 2jxb s PRO 6 CO -0.04 -2.57 1.09 -1.25 0.04 0.00 0.00 177.00 174.27 2jxb s PRO 7 N -4.95 0.64 1.10 0.56 0.04 -1.26 -5.05 135.00 126.09 2jxb s PRO 7 Ca 0.65 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2jxb s PRO 7 Cb -0.18 -1.75 0.27 0.00 0.04 0.00 0.00 34.50 32.87 2jxb s PRO 7 CO 0.57 -2.61 0.97 -0.35 0.04 0.00 0.00 177.00 175.63 2jxb n PRO 8 N -4.10 -2.93 -1.89 0.56 -0.04 -1.26 -4.95 135.00 120.38 2jxb n PRO 8 Ca 0.06 -1.56 -0.41 0.00 -0.04 0.00 0.00 63.50 61.55 2jxb n PRO 8 Cb 0.57 -1.46 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 2jxb n PRO 8 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2jxb s VAL 9 N -2.76 2.31 -0.95 0.52 -7.23 -1.26 -4.86 120.40 106.17 2jxb s VAL 9 Ca 0.63 0.27 -0.23 0.00 -1.81 0.00 0.00 61.98 60.85 2jxb s VAL 9 Cb -0.06 -3.18 -0.13 0.00 0.56 0.00 0.00 36.38 33.57 2jxb s VAL 9 CO 0.49 0.05 1.92 -0.81 -0.31 0.00 0.00 175.10 176.43 2jxb n PRO 10 N 1.88 1.50 -3.28 4.82 -0.04 -1.26 -4.49 135.00 134.13 2jxb n PRO 10 Ca 0.06 -2.13 -0.31 0.00 -0.04 0.00 0.00 63.50 61.09 2jxb n PRO 10 Cb 0.39 -3.30 0.03 0.00 -0.04 0.00 0.00 33.50 30.58 2jxb n PRO 10 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2jxb n ASN 11 N 10.93 -5.24 -4.76 3.54 0.23 -1.26 -4.84 115.26 113.85 2jxb n ASN 11 Ca 0.47 -0.07 -0.41 0.00 -0.53 0.00 0.00 54.58 54.05 2jxb n ASN 11 Cb 0.43 -1.47 -0.03 0.00 -2.08 0.00 0.00 39.78 36.63 2jxb n ASN 11 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2jxb s PRO 12 N -2.04 4.46 -0.29 -0.53 0.04 -1.26 -4.93 135.00 130.45 2jxb s PRO 12 Ca 0.30 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.50 2jxb s PRO 12 Cb -0.03 -3.12 0.47 0.00 0.04 0.00 0.00 34.50 31.86 2jxb s PRO 12 CO 0.68 -0.04 1.16 -0.25 0.04 0.00 0.00 177.00 178.58 2jxb n ASP 13 N 1.09 4.02 -0.39 6.66 9.92 -1.26 -4.76 116.55 131.83 2jxb n ASP 13 Ca 0.00 -3.30 0.09 0.00 -0.53 0.00 0.00 54.79 51.05 2jxb n ASP 13 Cb 0.43 -0.38 0.37 0.00 -0.64 0.00 0.00 41.12 40.89 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2jxb n TYR 14 N -0.66 0.18 -3.65 1.24 0.18 -1.26 -4.61 117.16 108.58 2jxb n TYR 14 Ca 0.34 -0.09 -0.29 0.00 1.88 0.00 0.00 57.90 59.74 2jxb n TYR 14 Cb 0.91 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.72 2jxb n TYR 14 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 2jxb s ASN 15 N -1.46 3.62 -0.33 9.48 0.02 -1.26 -4.96 114.94 120.05 2jxb s ASN 15 Ca 0.28 -1.35 0.15 0.00 -1.02 0.00 0.00 52.86 50.91 2jxb s ASN 15 Cb 0.14 -0.59 0.43 0.00 0.02 0.00 0.00 41.25 41.25 2jxb s ASN 15 CO 0.22 -0.41 1.43 -0.24 0.02 0.00 0.00 177.10 178.12 2jxb n SER 16 N 5.06 -0.86 -3.65 -1.22 2.88 -1.26 -5.12 113.62 109.46 2jxb n SER 16 Ca -0.05 -2.23 -0.05 0.00 -1.33 0.00 0.00 58.87 55.22 2jxb n SER 16 Cb 0.43 0.47 -0.07 0.00 -0.75 0.00 0.00 64.21 64.29 2jxb n SER 16 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jxb s LEU 17 N -3.93 -0.18 1.03 2.46 1.43 -1.26 -5.16 118.68 113.07 2jxb s LEU 17 Ca 0.14 0.34 -0.15 0.00 -1.03 0.00 0.00 54.13 53.43 2jxb s LEU 17 Cb 0.42 1.34 0.10 0.00 0.03 0.00 0.00 46.19 48.08 2jxb s LEU 17 CO -0.10 -0.06 0.38 0.29 0.23 0.00 0.00 176.35 177.09 2jxb n LYS 18 N 1.82 -1.01 -1.62 1.70 4.76 -1.26 -4.76 118.16 117.79 2jxb n LYS 18 Ca -0.11 -0.26 -0.40 0.00 -2.87 0.00 0.00 58.31 54.66 2jxb n LYS 18 Cb 0.57 -1.87 -0.03 0.00 -1.84 0.00 0.00 35.03 31.85 2jxb n LYS 18 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2jxb s LYS 19 N -3.73 2.72 0.10 1.97 2.20 -1.26 -4.85 119.74 116.89 2jxb s LYS 19 Ca 0.59 1.71 -0.20 0.00 -0.36 0.00 0.00 55.97 57.71 2jxb s LYS 19 Cb -0.18 -4.45 0.07 0.00 -1.51 0.00 0.00 37.83 31.76 2jxb s LYS 19 CO 0.66 -2.57 0.93 0.41 -0.36 0.00 0.00 175.35 174.42 2jxb n GLY 20 N 5.84 0.57 1.63 5.54 0.00 -1.26 -5.19 105.19 112.32 2jxb n GLY 20 Ca 0.32 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 2jxb n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jxb n SER 21 N -1.09 1.48 -3.80 1.61 7.64 -1.26 -5.17 113.62 113.03 2jxb n SER 21 Ca 0.00 -2.04 0.03 0.00 1.01 0.00 0.00 58.87 57.87 2jxb n SER 21 Cb 0.49 0.41 0.01 0.00 -1.01 0.00 0.00 64.21 64.11 2jxb n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jxb n LEU 22 N 0.00 0.00 -3.71 -3.43 -0.00 -1.26 -5.17 117.00 103.42 2jxb n LEU 22 Ca -0.05 -0.35 -0.12 0.00 -0.00 0.00 0.00 56.01 55.50 2jxb n LEU 22 Cb 0.29 1.78 -0.11 0.00 -0.00 0.00 0.00 43.42 45.39 2jxb n LEU 22 CO 0.16 -0.12 0.05 0.68 -0.00 0.00 0.00 177.39 178.16 2jxb s VAL 23 N -2.02 -0.02 0.56 1.47 -7.23 -1.26 -5.17 120.40 106.74 2jxb s VAL 23 Ca 0.30 0.06 0.07 0.00 -1.81 0.00 0.00 61.98 60.59 2jxb s VAL 23 Cb -0.01 -0.58 0.06 0.00 0.56 0.00 0.00 36.38 36.41 2jxb s VAL 23 CO -0.01 0.02 0.52 -0.54 -0.31 0.00 0.00 175.10 174.79 2jxb s LYS 24 N 0.92 2.25 0.09 4.82 1.02 -1.26 -5.15 119.74 122.42 2jxb s LYS 24 Ca -0.06 -1.95 0.01 0.00 0.02 0.00 0.00 55.97 54.00 2jxb s LYS 24 Cb -0.06 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 2jxb s LYS 24 CO -0.07 -0.72 0.09 0.27 -0.92 0.00 0.00 175.35 174.00 2jxb n ASN 25 N -1.93 0.82 -1.32 2.83 0.23 -1.26 -5.05 115.26 109.58 2jxb n ASN 25 Ca 0.03 -1.27 0.17 0.00 -0.53 0.00 0.00 54.58 52.98 2jxb n ASN 25 Cb 0.64 -0.04 -0.06 0.00 -2.08 0.00 0.00 39.78 38.24 2jxb n ASN 25 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 2jxb n LEU 26 N 0.00 -0.76 -2.57 -4.53 7.94 -1.26 -4.91 117.00 110.92 2jxb n LEU 26 Ca 0.01 1.72 -0.02 0.00 -1.11 0.00 0.00 56.01 56.61 2jxb n LEU 26 Cb 0.10 -4.20 0.11 0.00 0.53 0.00 0.00 43.42 39.96 2jxb n LEU 26 CO 0.06 -3.00 0.60 0.00 -1.11 0.00 0.00 177.39 173.94 2jxb n HIS 27 N -4.11 -1.83 -2.47 1.96 1.44 -1.26 -5.12 115.22 103.83 2jxb n HIS 27 Ca -0.02 -1.65 -0.43 0.00 -2.01 0.00 0.00 57.72 53.61 2jxb n HIS 27 Cb 0.61 1.44 -0.02 0.00 0.12 0.00 0.00 29.99 32.14 2jxb n HIS 27 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2jxb s MET 28 N -0.01 4.32 0.28 -1.40 0.00 -1.26 -5.01 119.30 116.22 2jxb s MET 28 Ca 0.09 1.64 0.05 0.00 0.00 0.00 0.00 55.69 57.47 2jxb s MET 28 Cb 0.42 -3.62 -0.02 0.00 0.00 0.00 0.00 34.83 31.61 2jxb s MET 28 CO -0.12 -0.53 0.18 0.25 0.00 0.00 0.00 175.02 174.81 2jxb n THR 29 N 4.87 0.00 -3.47 10.11 -2.24 -1.26 -5.14 114.28 117.15 2jxb n THR 29 Ca 0.12 -1.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.00 2jxb n THR 29 Cb 0.46 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 2jxb n THR 29 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2jxb n GLU 30 N -0.59 0.00 -3.23 -0.78 2.13 -1.26 -5.10 120.64 111.81 2jxb n GLU 30 Ca 0.02 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.59 2jxb n GLU 30 Cb 0.48 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.13 2jxb n GLU 30 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2jxb n GLU 31 N 0.00 1.94 -4.16 5.31 1.02 -1.26 -5.02 120.64 118.47 2jxb n GLU 31 Ca 0.00 -4.12 -0.26 0.00 -0.02 0.00 0.00 57.16 52.76 2jxb n GLU 31 Cb 0.00 -1.88 -0.07 0.00 -0.02 0.00 0.00 31.44 29.47 2jxb n GLU 31 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jxb s VAL 32 N -2.50 4.02 -0.01 2.62 1.01 -1.26 -5.03 120.40 119.24 2jxb s VAL 32 Ca 0.40 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2jxb s VAL 32 Cb 0.21 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.57 2jxb s VAL 32 CO -0.07 -0.12 0.02 -0.63 0.00 0.00 0.00 175.10 174.30 2jxb s ILE 33 N -1.76 -0.03 0.50 2.22 1.01 -1.26 -0.08 121.20 121.79 2jxb s ILE 33 Ca 0.29 0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.13 2jxb s ILE 33 Cb -0.09 -0.06 0.02 0.00 0.01 0.00 0.00 42.46 42.34 2jxb s ILE 33 CO 0.21 0.05 0.43 0.54 0.00 0.00 0.00 174.94 176.17 2jxb s VAL 34 N 0.63 2.06 -0.05 2.92 0.11 -0.95 -4.14 120.40 120.97 2jxb s VAL 34 Ca -0.05 -1.40 -0.02 0.00 -2.93 0.00 0.00 61.98 57.58 2jxb s VAL 34 Cb -0.07 -2.46 0.04 0.00 -1.53 0.00 0.00 36.38 32.35 2jxb s VAL 34 CO -0.02 0.00 0.10 -0.63 -3.33 0.00 0.00 175.10 171.22 2jxb s ILE 35 N -2.66 -0.12 -0.31 7.04 1.01 -1.15 -2.55 121.20 122.47 2jxb s ILE 35 Ca 0.42 0.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.09 2jxb s ILE 35 Cb -0.03 -0.19 -0.01 0.00 0.01 0.00 0.00 42.46 42.25 2jxb s ILE 35 CO 0.25 0.13 1.52 0.00 0.00 0.00 0.00 174.94 176.84 2jxb s ALA 36 N 1.72 3.17 0.46 9.38 0.00 0.73 0.00 121.76 137.23 2jxb s ALA 36 Ca -0.02 0.19 0.11 0.00 0.00 0.00 0.00 51.96 52.24 2jxb s ALA 36 Cb -0.12 -3.88 1.05 0.00 0.00 0.00 0.00 23.12 20.17 2jxb s ALA 36 CO -0.04 -2.13 2.10 0.87 0.00 0.00 0.00 175.76 176.56 2jxb h LYS 37 N 10.72 0.29 0.00 0.00 1.57 -1.42 -2.92 116.57 124.80 2jxb h LYS 37 Ca -0.30 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.40 2jxb h LYS 37 Cb 1.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2jxb h LYS 37 CO 1.04 0.19 -0.05 0.91 -0.57 0.00 0.00 179.45 180.97 2jxb n TRP 38 N -4.50 -0.36 -3.97 -1.35 7.02 -1.21 -4.61 117.44 108.46 2jxb n TRP 38 Ca 0.00 -0.39 -0.35 0.00 -1.02 0.00 0.00 57.50 55.74 2jxb n TRP 38 Cb 0.08 0.06 -0.10 0.00 -2.42 0.00 0.00 31.31 28.93 2jxb n TRP 38 CO 0.00 0.00 0.00 0.16 -2.02 0.00 0.00 177.69 175.83 2jxb s ASP 39 N -1.34 5.66 0.21 -0.99 1.47 -1.26 -3.88 116.67 116.54 2jxb s ASP 39 Ca 0.05 0.08 0.08 0.00 1.18 0.00 0.00 52.55 53.94 2jxb s ASP 39 Cb 0.00 -1.97 -0.05 0.00 -0.34 0.00 0.00 42.92 40.56 2jxb s ASP 39 CO 0.04 0.16 -0.15 -0.47 0.68 0.00 0.00 175.17 175.43 2jxb s TYR 40 N 0.44 1.75 -0.15 2.11 5.04 0.92 -4.94 117.35 122.52 2jxb s TYR 40 Ca 0.04 -0.55 0.00 0.00 -2.44 0.00 0.00 57.07 54.11 2jxb s TYR 40 Cb -0.12 -0.81 -0.00 0.00 0.35 0.00 0.00 41.96 41.37 2jxb s TYR 40 CO 0.00 0.39 -0.15 0.99 -1.34 0.00 0.00 175.55 175.44 2jxb s THR 41 N -2.93 2.70 -0.60 4.34 2.01 -1.26 -2.84 115.64 117.05 2jxb s THR 41 Ca 0.23 -0.76 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 2jxb s THR 41 Cb -0.01 -2.13 -0.10 0.00 0.01 0.00 0.00 72.50 70.26 2jxb s THR 41 CO 0.07 0.52 2.48 0.00 -0.69 0.00 0.00 174.62 177.00 2jxb n ALA 42 N 3.95 0.68 0.25 7.40 0.00 -1.26 -4.77 120.51 126.76 2jxb n ALA 42 Ca -0.19 -0.79 0.16 0.00 0.00 0.00 0.00 53.44 52.62 2jxb n ALA 42 Cb 0.52 -3.01 0.86 0.00 0.00 0.00 0.00 19.45 17.83 2jxb n ALA 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2jxb h GLN 43 N 17.94 0.00 0.00 0.00 -0.00 -1.95 -3.44 115.11 127.66 2jxb h GLN 43 Ca -0.20 0.00 -0.32 0.00 -0.00 0.00 0.00 58.65 58.13 2jxb h GLN 43 Cb 1.28 0.00 -0.08 0.00 -0.00 0.00 0.00 27.48 28.68 2jxb h GLN 43 CO 1.21 0.00 -0.30 0.00 -0.00 0.00 0.00 178.83 179.74 2jxb n GLN 44 N -3.85 0.37 0.00 0.06 10.64 -1.26 -5.03 117.38 118.31 2jxb n GLN 44 Ca -0.01 -2.17 0.15 0.00 -1.83 0.00 0.00 57.00 53.14 2jxb n GLN 44 Cb 0.21 1.64 0.71 0.00 -0.86 0.00 0.00 30.24 31.93 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2jxb n ASP 45 N -2.05 0.36 -1.23 2.61 9.92 -1.26 -3.18 116.55 121.72 2jxb n ASP 45 Ca 0.03 -0.66 0.10 0.00 -0.53 0.00 0.00 54.79 53.73 2jxb n ASP 45 Cb 0.39 -0.09 0.29 0.00 -0.64 0.00 0.00 41.12 41.07 2jxb n ASP 45 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2jxb n GLN 46 N -0.94 2.98 -4.04 -1.24 7.27 -1.26 -4.97 117.38 115.19 2jxb n GLN 46 Ca 0.17 -2.58 -0.25 0.00 0.07 0.00 0.00 57.00 54.40 2jxb n GLN 46 Cb 0.24 -1.58 -0.05 0.00 2.41 0.00 0.00 30.24 31.26 2jxb n GLN 46 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2jxb s GLU 47 N -1.23 2.28 -0.08 3.69 -6.30 -1.19 -3.36 118.70 112.51 2jxb s GLU 47 Ca 0.44 -1.90 0.04 0.00 -2.50 0.00 0.00 54.97 51.04 2jxb s GLU 47 Cb 0.24 -2.03 0.00 0.00 0.00 0.00 0.00 34.13 32.34 2jxb s GLU 47 CO 0.27 -0.29 -0.20 -1.17 0.02 0.00 0.00 175.26 173.89 2jxb s LEU 48 N -4.04 1.93 -0.32 2.70 0.20 0.83 -4.36 118.68 115.62 2jxb s LEU 48 Ca 0.37 -0.45 -0.29 0.00 0.69 0.00 0.00 54.13 54.45 2jxb s LEU 48 Cb 0.01 -1.18 0.01 0.00 -0.43 0.00 0.00 46.19 44.59 2jxb s LEU 48 CO 0.21 0.13 1.28 -1.81 -0.29 0.00 0.00 176.35 175.87 2jxb s ASP 49 N 0.37 6.67 -0.00 3.68 1.11 -1.26 -4.46 116.67 122.76 2jxb s ASP 49 Ca -0.15 1.11 0.03 0.00 0.18 0.00 0.00 52.55 53.72 2jxb s ASP 49 Cb -0.16 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.25 2jxb s ASP 49 CO 0.06 -1.10 -0.08 0.27 1.18 0.00 0.00 175.17 175.50 2jxb s ILE 50 N 4.40 3.54 0.30 0.77 -4.36 -1.13 -4.99 121.20 119.74 2jxb s ILE 50 Ca 0.55 -0.77 0.11 0.00 -0.26 0.00 0.00 60.65 60.28 2jxb s ILE 50 Cb -0.15 -2.52 -0.06 0.00 1.25 0.00 0.00 42.46 40.99 2jxb s ILE 50 CO 0.24 0.42 -0.15 -0.75 0.24 0.00 0.00 174.94 174.94 2jxb s LYS 51 N -1.31 1.75 0.11 0.37 2.20 -1.26 -0.05 119.74 121.55 2jxb s LYS 51 Ca 0.16 -1.82 -0.35 0.00 -0.36 0.00 0.00 55.97 53.59 2jxb s LYS 51 Cb -0.11 -1.76 -0.17 0.00 -1.51 0.00 0.00 37.83 34.28 2jxb s LYS 51 CO 0.06 0.26 1.23 1.63 -0.36 0.00 0.00 175.35 178.17 2jxb n LYS 52 N -0.70 0.99 -3.40 4.03 4.76 -1.25 -2.27 118.16 120.32 2jxb n LYS 52 Ca -0.05 0.36 -0.19 0.00 -2.87 0.00 0.00 58.31 55.55 2jxb n LYS 52 Cb 0.61 -1.91 0.05 0.00 -1.84 0.00 0.00 35.03 31.94 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jxb n ASN 53 N 2.21 -6.29 -4.09 4.39 2.85 -1.10 -4.99 115.26 108.24 2jxb n ASN 53 Ca 0.17 -0.74 -0.32 0.00 -0.11 0.00 0.00 54.58 53.58 2jxb n ASN 53 Cb 0.20 -4.45 -0.16 0.00 1.24 0.00 0.00 39.78 36.61 2jxb n ASN 53 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2jxb s GLU 54 N -4.78 2.74 0.01 1.20 2.12 -0.96 -4.94 118.70 114.08 2jxb s GLU 54 Ca 0.39 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2jxb s GLU 54 Cb -0.09 -2.38 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 2jxb s GLU 54 CO 0.79 -0.19 0.05 -0.98 -0.54 0.00 0.00 175.26 174.39 2jxb s ARG 55 N 1.29 2.94 0.32 4.30 3.03 -1.26 -0.19 118.95 129.37 2jxb s ARG 55 Ca 0.03 -0.56 -0.01 0.00 2.03 0.00 0.00 55.73 57.22 2jxb s ARG 55 Cb -0.13 -2.77 -0.01 0.00 -1.03 0.00 0.00 34.95 31.01 2jxb s ARG 55 CO -0.11 0.63 0.40 -0.51 -1.13 0.00 0.00 175.30 174.58 2jxb s LEU 56 N -1.76 1.13 -0.37 -1.89 1.02 -1.06 -4.91 118.68 110.83 2jxb s LEU 56 Ca 0.23 -1.49 -0.21 0.00 0.02 0.00 0.00 54.13 52.68 2jxb s LEU 56 Cb -0.12 1.20 0.01 0.00 0.02 0.00 0.00 46.19 47.29 2jxb s LEU 56 CO 0.14 -1.19 0.65 0.26 0.02 0.00 0.00 176.35 176.23 2jxb s TRP 57 N -3.32 3.13 0.04 0.29 0.51 0.78 -2.25 118.94 118.12 2jxb s TRP 57 Ca 0.33 0.29 -0.30 0.00 -2.12 0.00 0.00 56.10 54.30 2jxb s TRP 57 Cb 0.01 -3.21 -0.07 0.00 -0.81 0.00 0.00 33.47 29.38 2jxb s TRP 57 CO 0.20 -0.69 1.60 -0.51 -0.51 0.00 0.00 176.95 177.05 2jxb s LEU 58 N 2.78 4.35 -0.03 2.99 1.43 0.89 -0.23 118.68 130.85 2jxb s LEU 58 Ca 0.25 2.38 -0.03 0.00 -1.03 0.00 0.00 54.13 55.70 2jxb s LEU 58 Cb -0.14 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 2jxb s LEU 58 CO 0.16 -0.85 -0.06 0.18 0.23 0.00 0.00 176.35 176.00 2jxb n LEU 59 N 5.69 0.36 -3.71 1.79 4.77 0.14 -4.38 117.00 121.66 2jxb n LEU 59 Ca 0.15 0.06 -0.28 0.00 -0.03 0.00 0.00 56.01 55.91 2jxb n LEU 59 Cb 0.41 -0.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 2jxb n LEU 59 CO 0.62 -0.47 -0.35 -0.62 -1.33 0.00 0.00 177.39 175.24 2jxb s ASP 60 N -4.46 3.32 -0.69 -1.43 -1.08 -1.11 -4.88 116.67 106.34 2jxb s ASP 60 Ca -0.05 -1.12 0.05 0.00 -0.52 0.00 0.00 52.55 50.91 2jxb s ASP 60 Cb 0.01 -0.64 0.20 0.00 -1.46 0.00 0.00 42.92 41.02 2jxb s ASP 60 CO 0.07 -0.36 0.59 -0.90 0.52 0.00 0.00 175.17 175.10 2jxb n ASP 61 N 5.02 3.33 -0.06 -0.34 5.68 -1.26 -2.08 116.55 126.84 2jxb n ASP 61 Ca -0.07 -3.30 -0.14 0.00 -0.50 0.00 0.00 54.79 50.79 2jxb n ASP 61 Cb 0.45 -0.73 -0.05 0.00 -1.14 0.00 0.00 41.12 39.65 2jxb n ASP 61 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2jxb n SER 62 N 1.55 1.01 -4.37 -1.12 7.64 -1.26 -5.03 113.62 112.04 2jxb n SER 62 Ca 0.24 0.15 -0.27 0.00 1.01 0.00 0.00 58.87 59.99 2jxb n SER 62 Cb 0.37 -0.37 0.15 0.00 -1.01 0.00 0.00 64.21 63.35 2jxb n SER 62 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2jxb s LYS 63 N -2.24 1.09 0.41 1.43 1.02 -1.26 -4.94 119.74 115.26 2jxb s LYS 63 Ca -0.18 -0.70 0.20 0.00 0.02 0.00 0.00 55.97 55.31 2jxb s LYS 63 Cb 0.07 -2.05 1.15 0.00 -0.52 0.00 0.00 37.83 36.48 2jxb s LYS 63 CO 0.23 -2.00 1.76 0.00 -0.92 0.00 0.00 175.35 174.42 2jxb h THR 64 N -1.17 0.48 -2.84 2.17 1.03 -1.92 -3.39 112.91 107.28 2jxb h THR 64 Ca -0.41 -0.12 -0.64 0.00 -0.01 0.00 0.00 66.41 65.23 2jxb h THR 64 Cb 1.25 0.10 -0.07 0.00 -1.07 0.00 0.00 68.15 68.37 2jxb h THR 64 CO 0.39 0.06 -0.37 0.26 -0.01 0.00 0.00 175.52 175.85 2jxb s TRP 65 N -5.45 3.63 0.17 0.00 0.52 -1.26 -2.40 118.94 114.14 2jxb s TRP 65 Ca -0.08 0.69 0.08 0.00 0.02 0.00 0.00 56.10 56.80 2jxb s TRP 65 Cb 0.26 -2.10 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2jxb s TRP 65 CO 0.80 0.65 -0.03 -1.58 0.02 0.00 0.00 176.95 176.82 2jxb s TRP 66 N -0.88 2.80 -0.22 -1.98 0.51 -0.43 -4.47 118.94 114.26 2jxb s TRP 66 Ca 0.18 -0.15 0.00 0.00 -2.12 0.00 0.00 56.10 54.01 2jxb s TRP 66 Cb -0.14 -1.36 0.03 0.00 -0.81 0.00 0.00 33.47 31.19 2jxb s TRP 66 CO 0.07 0.51 -0.12 0.50 -0.51 0.00 0.00 176.95 177.40 2jxb s ARG 67 N -2.87 2.82 0.38 4.98 3.52 -0.88 -1.62 118.95 125.27 2jxb s ARG 67 Ca 0.27 -0.97 0.08 0.00 -0.13 0.00 0.00 55.73 54.98 2jxb s ARG 67 Cb -0.09 -2.81 -0.07 0.00 -1.56 0.00 0.00 34.95 30.42 2jxb s ARG 67 CO 0.18 -0.35 -0.04 0.14 -0.81 0.00 0.00 175.30 174.42 2jxb s VAL 68 N 1.28 2.11 -0.02 7.11 -7.23 -1.22 0.24 120.40 122.66 2jxb s VAL 68 Ca 0.01 -2.10 0.05 0.00 -1.81 0.00 0.00 61.98 58.13 2jxb s VAL 68 Cb -0.16 -2.84 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 2jxb s VAL 68 CO -0.08 -0.09 -0.18 -0.60 -0.31 0.00 0.00 175.10 173.84 2jxb s ARG 69 N -3.66 1.46 0.54 4.82 3.00 0.68 -2.81 118.95 122.98 2jxb s ARG 69 Ca 0.34 -0.63 -0.03 0.00 -1.00 0.00 0.00 55.73 54.41 2jxb s ARG 69 Cb 0.07 -1.40 0.11 0.00 0.00 0.00 0.00 34.95 33.73 2jxb s ARG 69 CO 0.17 0.37 0.75 0.27 0.00 0.00 0.00 175.30 176.85 2jxb n ASN 70 N 2.69 0.72 0.00 -2.12 0.23 -0.87 -0.16 115.26 115.76 2jxb n ASN 70 Ca -0.15 -1.67 0.08 0.00 -0.53 0.00 0.00 54.58 52.31 2jxb n ASN 70 Cb 0.54 -0.51 0.37 0.00 -2.08 0.00 0.00 39.78 38.10 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jxb n ALA 71 N -3.10 1.80 0.87 -2.53 0.00 -1.26 -2.29 120.51 114.00 2jxb n ALA 71 Ca -0.12 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.31 2jxb n ALA 71 Cb 0.41 -1.27 0.15 0.00 0.00 0.00 0.00 19.45 18.73 2jxb n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jxb n ALA 72 N -1.47 2.51 -1.27 0.00 0.00 -1.26 -4.87 120.51 114.14 2jxb n ALA 72 Ca 0.05 -0.61 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 2jxb n ALA 72 Cb 0.19 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.62 2jxb n ALA 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2jxb n ASN 73 N 0.45 -5.20 -4.87 0.00 4.13 -0.97 -4.97 115.26 103.84 2jxb n ASN 73 Ca 0.11 0.23 -0.34 0.00 1.68 0.00 0.00 54.58 56.26 2jxb n ASN 73 Cb 0.32 -3.53 -0.05 0.00 -1.54 0.00 0.00 39.78 34.97 2jxb n ASN 73 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 2jxb s ARG 74 N -2.62 3.79 0.12 3.52 3.52 -1.26 -4.92 118.95 121.09 2jxb s ARG 74 Ca 0.00 0.21 0.10 0.00 -0.13 0.00 0.00 55.73 55.91 2jxb s ARG 74 Cb 0.00 -2.93 -0.04 0.00 -1.56 0.00 0.00 34.95 30.42 2jxb s ARG 74 CO 0.00 0.51 -0.23 0.95 -0.81 0.00 0.00 175.30 175.72 2jxb s THR 75 N -1.49 2.53 0.00 4.11 -4.23 -1.26 -2.05 115.64 113.25 2jxb s THR 75 Ca 0.36 -1.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 2jxb s THR 75 Cb -0.14 -2.14 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2jxb s THR 75 CO 0.19 0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.98 2jxb n GLY 76 N 0.86 1.97 3.37 3.99 0.00 -1.12 -4.95 105.19 109.30 2jxb n GLY 76 Ca -0.17 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 2jxb n GLY 76 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jxb s TYR 77 N -8.78 2.12 -0.13 1.61 1.51 -1.21 -3.43 117.35 109.03 2jxb s TYR 77 Ca 0.00 -0.40 -0.23 0.00 -1.01 0.00 0.00 57.07 55.43 2jxb s TYR 77 Cb 0.00 -1.11 0.06 0.00 -0.11 0.00 0.00 41.96 40.80 2jxb s TYR 77 CO 0.00 0.35 0.58 0.14 -1.11 0.00 0.00 175.55 175.51 2jxb s VAL 78 N -1.39 0.01 0.01 0.71 -7.23 -0.64 -0.12 120.40 111.75 2jxb s VAL 78 Ca 0.14 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.93 2jxb s VAL 78 Cb -0.09 -0.86 -0.06 0.00 0.56 0.00 0.00 36.38 35.94 2jxb s VAL 78 CO 0.07 -0.04 1.43 -2.16 -0.31 0.00 0.00 175.10 174.09 2jxb s PRO 79 N -0.46 4.27 0.48 4.82 0.04 -1.26 -1.31 135.00 141.58 2jxb s PRO 79 Ca -0.06 2.02 0.32 0.00 0.04 0.00 0.00 61.00 63.32 2jxb s PRO 79 Cb -0.03 -3.56 1.73 0.00 0.04 0.00 0.00 34.50 32.68 2jxb s PRO 79 CO 0.05 -0.59 1.99 0.66 0.04 0.00 0.00 177.00 179.14 2jxb h SER 80 N 7.86 0.00 0.62 6.66 4.64 -1.80 -0.64 113.55 130.89 2jxb h SER 80 Ca -0.39 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 2jxb h SER 80 Cb 1.18 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2jxb h SER 80 CO 0.90 0.00 -0.60 0.78 -0.87 0.00 0.00 176.83 177.04 2jxb h ASN 81 N 0.00 0.00 -0.26 4.97 4.21 -1.90 -2.88 115.58 119.72 2jxb h ASN 81 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2jxb h ASN 81 Cb 0.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2jxb h ASN 81 CO 0.00 0.60 0.00 -1.22 -1.29 0.00 0.00 177.43 175.52 2jxb n TYR 82 N -3.81 0.33 -4.33 1.19 4.02 -0.27 -4.93 117.16 109.36 2jxb n TYR 82 Ca -0.01 -0.16 -0.18 0.00 -0.01 0.00 0.00 57.90 57.53 2jxb n TYR 82 Cb 0.61 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.82 2jxb n TYR 82 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jxb s VAL 83 N -1.67 1.65 -0.30 -0.72 0.11 -1.09 -1.10 120.40 117.28 2jxb s VAL 83 Ca 0.35 -2.16 -0.02 0.00 -2.93 0.00 0.00 61.98 57.22 2jxb s VAL 83 Cb 0.21 -1.99 0.18 0.00 -1.53 0.00 0.00 36.38 33.26 2jxb s VAL 83 CO 0.31 -0.59 0.60 -0.70 -3.33 0.00 0.00 175.10 171.39 2jxb s GLU 84 N -3.57 0.57 0.79 1.54 2.12 0.10 -4.77 118.70 115.47 2jxb s GLU 84 Ca 0.21 1.07 -0.12 0.00 0.36 0.00 0.00 54.97 56.49 2jxb s GLU 84 Cb -0.01 0.58 0.07 0.00 0.26 0.00 0.00 34.13 35.04 2jxb s GLU 84 CO 0.06 -0.55 1.13 -0.98 -0.54 0.00 0.00 175.26 174.37 2jxb s ARG 85 N 2.86 1.97 0.00 4.30 1.04 -1.26 -2.91 118.95 124.95 2jxb s ARG 85 Ca 0.17 1.40 0.00 0.00 -1.04 0.00 0.00 55.73 56.26 2jxb s ARG 85 Cb -0.15 -1.85 0.00 0.00 -2.04 0.00 0.00 34.95 30.92 2jxb s ARG 85 CO -0.21 -1.89 0.00 1.17 -0.04 0.00 0.00 175.30 174.33