#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxb s MET 2 N 0.00 0.28 0.04 -0.41 1.00 -1.26 -5.18 119.30 113.78 2jxb s MET 2 Ca 0.00 0.41 0.05 0.00 0.00 0.00 0.00 55.69 56.14 2jxb s MET 2 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 34.83 34.91 2jxb s MET 2 CO 0.00 -0.05 -0.13 -1.59 0.00 0.00 0.00 175.02 173.25 2jxb s LYS 3 N 0.68 0.88 0.09 2.03 0.00 -1.26 -5.14 119.74 117.02 2jxb s LYS 3 Ca -0.02 -0.75 -0.10 0.00 0.00 0.00 0.00 55.97 55.10 2jxb s LYS 3 Cb -0.04 -0.87 0.04 0.00 0.00 0.00 0.00 37.83 36.96 2jxb s LYS 3 CO -0.12 0.21 0.50 -1.91 0.00 0.00 0.00 175.35 174.04 2jxb n GLU 4 N 1.87 0.32 -2.16 1.78 2.13 -1.26 -5.17 120.64 118.15 2jxb n GLU 4 Ca -0.18 -0.73 -0.29 0.00 0.66 0.00 0.00 57.16 56.62 2jxb n GLU 4 Cb 0.55 0.98 0.01 0.00 0.27 0.00 0.00 31.44 33.25 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2jxb s ARG 5 N -2.02 3.45 0.96 5.31 3.00 -1.26 -5.07 118.95 123.32 2jxb s ARG 5 Ca 0.11 0.48 -0.12 0.00 0.00 0.00 0.00 55.73 56.20 2jxb s ARG 5 Cb -0.01 -2.19 0.17 0.00 0.00 0.00 0.00 34.95 32.92 2jxb s ARG 5 CO 0.03 -0.51 1.09 -1.25 0.00 0.00 0.00 175.30 174.66 2jxb s PRO 6 N -5.04 0.75 0.97 3.54 0.04 -1.26 -5.04 135.00 128.97 2jxb s PRO 6 Ca 0.53 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.07 2jxb s PRO 6 Cb -0.11 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2jxb s PRO 6 CO 0.50 -2.54 1.09 -1.25 0.04 0.00 0.00 177.00 174.84 2jxb s PRO 7 N -4.96 0.63 1.05 0.56 0.04 -1.26 -5.05 135.00 126.00 2jxb s PRO 7 Ca 0.65 0.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.11 2jxb s PRO 7 Cb -0.18 -1.75 0.26 0.00 0.04 0.00 0.00 34.50 32.86 2jxb s PRO 7 CO 0.57 -2.62 0.93 -0.35 0.04 0.00 0.00 177.00 175.58 2jxb n PRO 8 N -4.11 -2.84 -1.68 0.56 -0.04 -1.26 -4.96 135.00 120.67 2jxb n PRO 8 Ca 0.06 -1.49 -0.40 0.00 -0.04 0.00 0.00 63.50 61.62 2jxb n PRO 8 Cb 0.57 -1.40 0.02 0.00 -0.04 0.00 0.00 33.50 32.65 2jxb n PRO 8 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2jxb n VAL 9 N -4.52 2.92 -1.37 0.52 0.24 -1.26 -4.81 118.33 110.05 2jxb n VAL 9 Ca 0.13 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.54 2jxb n VAL 9 Cb 0.50 -1.47 -0.06 0.00 -1.47 0.00 0.00 33.84 31.34 2jxb n VAL 9 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jxb n PRO 10 N -0.27 1.46 -3.13 7.34 -0.04 -1.26 -4.53 135.00 134.56 2jxb n PRO 10 Ca 0.09 -1.97 -0.21 0.00 -0.04 0.00 0.00 63.50 61.36 2jxb n PRO 10 Cb 0.41 -3.12 0.02 0.00 -0.04 0.00 0.00 33.50 30.78 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 9.42 -5.31 -4.74 3.54 6.94 -1.26 -4.83 115.26 119.02 2jxb n ASN 11 Ca 0.48 0.05 -0.41 0.00 -0.02 0.00 0.00 54.58 54.68 2jxb n ASN 11 Cb 0.42 -1.42 -0.03 0.00 -2.36 0.00 0.00 39.78 36.39 2jxb n ASN 11 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2jxb s PRO 12 N -1.68 4.41 -0.46 -0.53 0.04 -1.26 -4.96 135.00 130.57 2jxb s PRO 12 Ca 0.21 2.05 0.09 0.00 0.04 0.00 0.00 61.00 63.39 2jxb s PRO 12 Cb -0.02 -3.18 0.35 0.00 0.04 0.00 0.00 34.50 31.70 2jxb s PRO 12 CO 0.47 -0.20 0.85 -3.47 0.04 0.00 0.00 177.00 174.70 2jxb n ASP 13 N 2.23 2.55 -0.07 6.66 2.03 -1.26 -4.79 116.55 123.88 2jxb n ASP 13 Ca 0.04 -3.31 0.05 0.00 0.52 0.00 0.00 54.79 52.09 2jxb n ASP 13 Cb 0.43 -0.58 -0.04 0.00 -0.72 0.00 0.00 41.12 40.21 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jxb n TYR 14 N 0.01 0.00 -0.43 -0.67 0.18 -1.26 -5.03 117.16 109.96 2jxb n TYR 14 Ca 0.27 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.76 2jxb n TYR 14 Cb 0.56 0.00 0.26 0.00 -0.38 0.00 0.00 39.34 39.77 2jxb n TYR 14 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2jxb n ASN 15 N -0.89 -2.57 -4.55 9.48 5.03 -1.26 -4.86 115.26 115.64 2jxb n ASN 15 Ca 0.03 -0.37 -0.41 0.00 0.87 0.00 0.00 54.58 54.70 2jxb n ASN 15 Cb 0.16 -1.13 -0.03 0.00 -1.02 0.00 0.00 39.78 37.77 2jxb n ASN 15 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2jxb s SER 16 N -2.44 6.02 0.06 6.41 0.15 -1.26 -4.92 113.70 117.72 2jxb s SER 16 Ca 0.65 -0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.98 2jxb s SER 16 Cb -0.20 -2.55 -0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2jxb s SER 16 CO 0.63 -1.90 0.18 -1.48 1.20 0.00 0.00 173.24 171.86 2jxb s LEU 17 N 6.28 1.43 -1.53 3.45 0.05 -1.26 -4.87 118.68 122.24 2jxb s LEU 17 Ca 0.42 -0.52 0.00 0.00 0.05 0.00 0.00 54.13 54.08 2jxb s LEU 17 Cb -0.09 0.97 0.00 0.00 -2.05 0.00 0.00 46.19 45.02 2jxb s LEU 17 CO 0.17 -0.64 0.00 0.29 -0.55 0.00 0.00 176.35 175.62 2jxb n LYS 18 N 0.32 -1.77 -3.50 1.48 4.76 -1.26 -1.28 118.16 116.92 2jxb n LYS 18 Ca -0.17 0.86 -0.21 0.00 -2.87 0.00 0.00 58.31 55.92 2jxb n LYS 18 Cb 0.61 -5.39 0.08 0.00 -1.84 0.00 0.00 35.03 28.49 2jxb n LYS 18 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jxb n LYS 19 N -2.64 -7.26 0.00 1.97 5.02 -1.26 -4.64 118.16 109.34 2jxb n LYS 19 Ca -0.19 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 2jxb n LYS 19 Cb 0.61 -5.78 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 2jxb n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jxb n GLY 20 N -1.65 3.83 3.19 0.72 0.00 -0.40 -4.58 105.19 106.30 2jxb n GLY 20 Ca -0.10 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2jxb n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jxb s SER 21 N -4.00 2.38 -0.10 1.61 0.01 -1.26 -4.92 113.70 107.41 2jxb s SER 21 Ca 0.00 -0.38 0.19 0.00 1.31 0.00 0.00 55.95 57.07 2jxb s SER 21 Cb 0.00 -0.43 -0.25 0.00 0.21 0.00 0.00 66.02 65.54 2jxb s SER 21 CO 0.00 0.22 0.33 0.00 0.41 0.00 0.00 173.24 174.20 2jxb n LEU 22 N 2.80 0.18 -3.80 2.44 -0.00 -1.26 -4.92 117.00 112.44 2jxb n LEU 22 Ca -0.16 0.08 -0.17 0.00 -0.00 0.00 0.00 56.01 55.76 2jxb n LEU 22 Cb 0.53 0.28 -0.16 0.00 -0.00 0.00 0.00 43.42 44.06 2jxb n LEU 22 CO 0.24 0.30 -0.37 0.54 -0.00 0.00 0.00 177.39 178.10 2jxb s VAL 23 N -2.85 0.14 -0.23 1.47 0.11 -1.26 -5.12 120.40 112.67 2jxb s VAL 23 Ca -0.08 0.12 -0.04 0.00 -2.93 0.00 0.00 61.98 59.06 2jxb s VAL 23 Cb 0.09 -0.26 0.12 0.00 -1.53 0.00 0.00 36.38 34.80 2jxb s VAL 23 CO 0.85 0.15 0.35 -0.75 -3.33 0.00 0.00 175.10 172.37 2jxb s LYS 24 N 1.15 0.31 0.39 1.54 2.20 -1.26 -5.16 119.74 118.91 2jxb s LYS 24 Ca -0.08 0.56 0.04 0.00 -0.36 0.00 0.00 55.97 56.13 2jxb s LYS 24 Cb -0.13 -0.46 -0.03 0.00 -1.51 0.00 0.00 37.83 35.69 2jxb s LYS 24 CO -0.02 -0.58 0.11 1.21 -0.36 0.00 0.00 175.35 175.71 2jxb s ASN 25 N 2.51 2.65 -0.11 1.43 3.84 -1.26 -5.16 114.94 118.86 2jxb s ASN 25 Ca 0.09 -1.60 -0.04 0.00 0.21 0.00 0.00 52.86 51.52 2jxb s ASN 25 Cb -0.15 0.38 0.06 0.00 -0.55 0.00 0.00 41.25 40.98 2jxb s ASN 25 CO -0.14 -0.86 0.18 -0.22 -2.79 0.00 0.00 177.10 173.27 2jxb s LEU 26 N -3.57 -0.11 0.03 3.21 0.20 -1.26 -5.15 118.68 112.02 2jxb s LEU 26 Ca 0.27 0.30 0.05 0.00 0.69 0.00 0.00 54.13 55.44 2jxb s LEU 26 Cb 0.04 0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 46.13 2jxb s LEU 26 CO 0.14 -0.25 -0.16 -1.00 -0.29 0.00 0.00 176.35 174.79 2jxb s HIS 27 N 2.32 1.38 -0.23 5.38 3.76 -1.26 -4.97 115.29 121.67 2jxb s HIS 27 Ca 0.03 -0.33 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 2jxb s HIS 27 Cb -0.12 -0.84 0.03 0.00 1.11 0.00 0.00 32.58 32.76 2jxb s HIS 27 CO -0.07 0.03 0.17 -0.12 -0.85 0.00 0.00 174.74 173.90 2jxb n MET 28 N 2.13 -4.21 -2.30 1.40 0.00 -1.26 -4.97 117.12 107.90 2jxb n MET 28 Ca -0.17 3.22 -0.32 0.00 -0.00 0.00 0.00 57.70 60.44 2jxb n MET 28 Cb 0.54 -5.12 -0.02 0.00 0.00 0.00 0.00 33.22 28.62 2jxb n MET 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 2jxb s THR 29 N -0.99 4.45 0.00 1.12 -1.32 -1.26 -5.07 115.64 112.57 2jxb s THR 29 Ca -0.19 1.14 0.00 0.00 -1.21 0.00 0.00 61.69 61.43 2jxb s THR 29 Cb 0.01 -3.69 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 2jxb s THR 29 CO 0.78 -0.70 0.00 -0.62 -2.21 0.00 0.00 174.62 171.87 2jxb n GLU 30 N -1.75 0.00 -3.19 7.08 4.71 -1.26 -5.13 120.64 121.10 2jxb n GLU 30 Ca 0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.16 57.04 2jxb n GLU 30 Cb 0.54 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.91 2jxb n GLU 30 CO 0.00 0.00 0.00 -2.00 0.09 0.00 0.00 177.13 175.22 2jxb s GLU 31 N -1.48 0.89 0.16 3.49 2.12 -1.26 -5.12 118.70 117.51 2jxb s GLU 31 Ca 0.00 -1.50 0.06 0.00 0.36 0.00 0.00 54.97 53.89 2jxb s GLU 31 Cb 0.00 -0.83 -0.04 0.00 0.26 0.00 0.00 34.13 33.52 2jxb s GLU 31 CO 0.00 -1.33 0.10 0.08 -0.54 0.00 0.00 175.26 173.57 2jxb s VAL 32 N 0.63 4.28 -0.01 3.70 1.01 -1.26 -5.03 120.40 123.72 2jxb s VAL 32 Ca 0.28 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2jxb s VAL 32 Cb -0.02 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.20 2jxb s VAL 32 CO -0.11 -0.10 0.00 -0.63 0.00 0.00 0.00 175.10 174.26 2jxb s ILE 33 N -1.73 0.08 0.47 2.22 1.01 -1.26 -0.09 121.20 121.89 2jxb s ILE 33 Ca 0.30 0.06 0.07 0.00 0.00 0.00 0.00 60.65 61.07 2jxb s ILE 33 Cb -0.10 -0.13 -0.00 0.00 0.01 0.00 0.00 42.46 42.23 2jxb s ILE 33 CO 0.22 0.07 0.35 0.54 0.00 0.00 0.00 174.94 176.12 2jxb s VAL 34 N 0.54 2.19 -0.03 2.92 0.11 -0.81 -4.17 120.40 121.15 2jxb s VAL 34 Ca -0.05 -1.47 0.00 0.00 -2.93 0.00 0.00 61.98 57.53 2jxb s VAL 34 Cb -0.07 -2.66 0.03 0.00 -1.53 0.00 0.00 36.38 32.14 2jxb s VAL 34 CO -0.01 0.00 0.00 -0.63 -3.33 0.00 0.00 175.10 171.13 2jxb s ILE 35 N -2.62 0.14 -0.23 7.04 1.01 -1.02 -2.36 121.20 123.16 2jxb s ILE 35 Ca 0.41 0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.86 2jxb s ILE 35 Cb -0.01 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.23 2jxb s ILE 35 CO 0.24 0.13 1.16 0.00 0.00 0.00 0.00 174.94 176.47 2jxb s ALA 36 N 0.93 3.60 0.19 9.38 0.00 0.73 0.07 121.76 136.66 2jxb s ALA 36 Ca -0.09 0.22 0.17 0.00 0.00 0.00 0.00 51.96 52.25 2jxb s ALA 36 Cb -0.13 -3.63 0.59 0.00 0.00 0.00 0.00 23.12 19.95 2jxb s ALA 36 CO -0.02 -1.27 1.70 0.87 0.00 0.00 0.00 175.76 177.04 2jxb h LYS 37 N 8.08 0.00 0.00 0.00 1.57 -1.60 -1.93 116.57 122.68 2jxb h LYS 37 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2jxb h LYS 37 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2jxb h LYS 37 CO 0.99 0.44 0.00 0.91 -0.57 0.00 0.00 179.45 181.22 2jxb n TRP 38 N -3.59 -0.19 -4.24 -1.35 7.02 -1.21 -4.64 117.44 109.23 2jxb n TRP 38 Ca -0.00 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.13 2jxb n TRP 38 Cb 0.54 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 29.30 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 -0.81 4.46 -0.04 -0.99 3.84 -1.26 -2.51 116.67 119.36 2jxb s ASP 39 Ca 0.00 -0.28 0.05 0.00 -0.00 0.00 0.00 52.55 52.32 2jxb s ASP 39 Cb 0.00 -1.74 -0.01 0.00 -1.38 0.00 0.00 42.92 39.79 2jxb s ASP 39 CO 0.00 0.08 -0.18 -0.47 -0.00 0.00 0.00 175.17 174.60 2jxb s TYR 40 N 0.88 1.72 -0.11 2.11 5.04 0.92 -4.92 117.35 123.00 2jxb s TYR 40 Ca -0.01 -0.45 -0.16 0.00 -2.44 0.00 0.00 57.07 54.01 2jxb s TYR 40 Cb -0.15 -1.15 -0.05 0.00 0.35 0.00 0.00 41.96 40.97 2jxb s TYR 40 CO 0.01 -0.13 0.39 -0.08 -1.34 0.00 0.00 175.55 174.41 2jxb s THR 41 N -0.11 5.21 -0.58 4.34 -1.32 -1.26 -0.83 115.64 121.09 2jxb s THR 41 Ca -0.01 0.77 -0.27 0.00 -1.21 0.00 0.00 61.69 60.97 2jxb s THR 41 Cb -0.10 -3.72 -0.10 0.00 -1.51 0.00 0.00 72.50 67.06 2jxb s THR 41 CO 0.01 0.40 2.47 0.00 -2.21 0.00 0.00 174.62 175.29 2jxb n ALA 42 N 3.31 0.71 0.19 11.08 0.00 -1.26 -4.77 120.51 129.76 2jxb n ALA 42 Ca -0.10 -0.78 0.15 0.00 0.00 0.00 0.00 53.44 52.71 2jxb n ALA 42 Cb 0.52 -3.00 0.75 0.00 0.00 0.00 0.00 19.45 17.72 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 17.86 0.00 0.00 0.00 -0.00 -1.92 -3.44 115.11 127.61 2jxb h GLN 43 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2jxb h GLN 43 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2jxb h GLN 43 CO 1.20 0.00 0.00 1.04 -0.00 0.00 0.00 178.83 181.07 2jxb n GLN 44 N -4.16 0.00 0.07 0.06 6.02 -1.26 -5.05 117.38 113.06 2jxb n GLN 44 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.95 2jxb n GLN 44 Cb 0.29 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.47 2jxb n GLN 44 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 2jxb h ASP 45 N 0.00 0.00 -0.29 1.08 3.04 -2.03 -3.28 116.42 114.95 2jxb h ASP 45 Ca 0.00 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.65 2jxb h ASP 45 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 2jxb h ASP 45 CO 0.00 0.92 -0.35 1.56 -2.04 0.00 0.00 179.24 179.33 2jxb h GLN 46 N 0.00 0.82 -7.54 4.15 4.20 -1.96 -3.45 115.11 111.32 2jxb h GLN 46 Ca -0.01 -0.40 -0.46 0.00 0.06 0.00 0.00 58.65 57.84 2jxb h GLN 46 Cb 1.67 -0.00 0.12 0.00 0.30 0.00 0.00 27.48 29.57 2jxb h GLN 46 CO 0.12 1.04 0.34 -1.21 -0.67 0.00 0.00 178.83 178.45 2jxb s GLU 47 N -4.42 1.42 -0.00 1.46 0.41 -1.24 -2.94 118.70 113.39 2jxb s GLU 47 Ca -0.10 0.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.71 2jxb s GLU 47 Cb 0.12 -1.88 -0.01 0.00 -1.78 0.00 0.00 34.13 30.58 2jxb s GLU 47 CO 0.86 -1.99 -0.13 -1.17 -0.49 0.00 0.00 175.26 172.33 2jxb s LEU 48 N -5.87 2.04 -0.35 1.80 0.20 -0.87 -4.63 118.68 111.01 2jxb s LEU 48 Ca 0.63 -0.27 -0.29 0.00 0.69 0.00 0.00 54.13 54.90 2jxb s LEU 48 Cb -0.13 -0.67 0.02 0.00 -0.43 0.00 0.00 46.19 44.97 2jxb s LEU 48 CO 0.52 0.15 1.13 -1.81 -0.29 0.00 0.00 176.35 176.04 2jxb s ASP 49 N -0.42 6.83 0.01 3.68 1.11 -1.26 -4.17 116.67 122.45 2jxb s ASP 49 Ca 0.05 0.96 0.05 0.00 0.18 0.00 0.00 52.55 53.78 2jxb s ASP 49 Cb -0.05 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2jxb s ASP 49 CO -0.00 -0.99 -0.11 0.27 1.18 0.00 0.00 175.17 175.51 2jxb s ILE 50 N 3.94 3.28 0.03 0.77 -4.36 -0.01 -4.92 121.20 119.93 2jxb s ILE 50 Ca 0.48 -0.90 0.04 0.00 -0.26 0.00 0.00 60.65 60.00 2jxb s ILE 50 Cb -0.12 -2.40 -0.04 0.00 1.25 0.00 0.00 42.46 41.16 2jxb s ILE 50 CO 0.20 0.40 -0.06 -0.54 0.24 0.00 0.00 174.94 175.18 2jxb s LYS 51 N -1.33 2.48 0.71 0.37 1.02 -1.26 -0.05 119.74 121.67 2jxb s LYS 51 Ca 0.15 -0.79 -0.17 0.00 0.02 0.00 0.00 55.97 55.18 2jxb s LYS 51 Cb -0.11 -2.47 -0.12 0.00 -0.52 0.00 0.00 37.83 34.61 2jxb s LYS 51 CO 0.06 0.58 -0.16 0.36 -0.92 0.00 0.00 175.35 175.26 2jxb n LYS 52 N 1.26 0.07 -3.74 1.68 -0.00 -1.05 -2.85 118.16 113.53 2jxb n LYS 52 Ca -0.14 0.03 -0.28 0.00 -0.00 0.00 0.00 58.31 57.92 2jxb n LYS 52 Cb 0.52 -1.21 0.03 0.00 -0.00 0.00 0.00 35.03 34.37 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 2jxb n ASN 53 N 2.06 -3.39 -4.03 -5.58 2.85 -0.72 -4.96 115.26 101.49 2jxb n ASN 53 Ca 0.05 -0.97 -0.24 0.00 -0.11 0.00 0.00 54.58 53.31 2jxb n ASN 53 Cb 0.50 -3.46 -0.16 0.00 1.24 0.00 0.00 39.78 37.90 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 -6.08 1.64 0.02 1.20 2.12 -1.13 -4.94 118.70 111.53 2jxb s GLU 54 Ca 0.28 -0.42 0.03 0.00 0.36 0.00 0.00 54.97 55.21 2jxb s GLU 54 Cb -0.10 -1.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.89 2jxb s GLU 54 CO 0.86 0.06 -0.02 -0.98 -0.54 0.00 0.00 175.26 174.64 2jxb s ARG 55 N 0.56 2.67 0.28 4.30 1.70 -1.26 -0.19 118.95 127.01 2jxb s ARG 55 Ca -0.13 -0.70 -0.04 0.00 -0.47 0.00 0.00 55.73 54.39 2jxb s ARG 55 Cb -0.15 -2.60 -0.01 0.00 -0.57 0.00 0.00 34.95 31.63 2jxb s ARG 55 CO 0.03 0.60 0.39 -0.51 -1.08 0.00 0.00 175.30 174.73 2jxb s LEU 56 N -1.71 0.90 -0.36 -1.89 1.02 -0.99 -4.88 118.68 110.76 2jxb s LEU 56 Ca 0.20 -1.33 -0.21 0.00 0.02 0.00 0.00 54.13 52.82 2jxb s LEU 56 Cb -0.11 1.26 0.00 0.00 0.02 0.00 0.00 46.19 47.36 2jxb s LEU 56 CO 0.12 -1.14 0.64 0.26 0.02 0.00 0.00 176.35 176.25 2jxb s TRP 57 N -3.59 3.15 -0.05 0.29 0.51 0.07 -1.93 118.94 117.39 2jxb s TRP 57 Ca 0.31 0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 54.33 2jxb s TRP 57 Cb 0.01 -3.16 -0.06 0.00 -0.81 0.00 0.00 33.47 29.46 2jxb s TRP 57 CO 0.16 -0.64 1.67 -0.51 -0.51 0.00 0.00 176.95 177.12 2jxb s LEU 58 N 2.73 4.33 0.00 2.99 1.43 0.87 -1.11 118.68 129.92 2jxb s LEU 58 Ca 0.25 2.26 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2jxb s LEU 58 Cb -0.14 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.54 2jxb s LEU 58 CO 0.15 -0.93 0.00 0.18 0.23 0.00 0.00 176.35 175.98 2jxb n LEU 59 N 7.12 0.17 -3.72 1.79 4.77 0.13 -4.38 117.00 122.88 2jxb n LEU 59 Ca 0.17 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.98 2jxb n LEU 59 Cb 0.43 -0.38 -0.17 0.00 -2.33 0.00 0.00 43.42 40.96 2jxb n LEU 59 CO 0.63 -0.38 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.32 2jxb s ASP 60 N -3.12 2.53 -0.69 -1.43 2.15 -1.11 -5.00 116.67 110.00 2jxb s ASP 60 Ca 0.00 -0.63 0.05 0.00 0.43 0.00 0.00 52.55 52.40 2jxb s ASP 60 Cb 0.00 -0.50 0.17 0.00 -0.30 0.00 0.00 42.92 42.29 2jxb s ASP 60 CO 0.00 -0.29 0.51 -0.90 -0.17 0.00 0.00 175.17 174.32 2jxb n ASP 61 N 5.11 2.95 -0.07 -0.34 5.68 -1.26 -2.16 116.55 126.46 2jxb n ASP 61 Ca -0.08 -3.20 -0.14 0.00 -0.50 0.00 0.00 54.79 50.86 2jxb n ASP 61 Cb 0.48 -0.75 -0.05 0.00 -1.14 0.00 0.00 41.12 39.66 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 1.91 1.00 -4.52 -1.12 7.64 -1.26 -5.04 113.62 112.24 2jxb n SER 62 Ca 0.21 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.99 2jxb n SER 62 Cb 0.36 -0.39 0.13 0.00 -1.01 0.00 0.00 64.21 63.29 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 -2.25 1.38 0.36 1.43 1.02 -1.26 -4.95 119.74 115.47 2jxb s LYS 63 Ca -0.19 -0.85 0.15 0.00 0.02 0.00 0.00 55.97 55.10 2jxb s LYS 63 Cb 0.07 -2.17 1.05 0.00 -0.52 0.00 0.00 37.83 36.26 2jxb s LYS 63 CO 0.24 -1.74 1.72 0.00 -0.92 0.00 0.00 175.35 174.65 2jxb h THR 64 N -0.88 0.45 -2.99 2.17 1.03 -1.93 -3.38 112.91 107.38 2jxb h THR 64 Ca -0.39 -0.15 -0.62 0.00 -0.01 0.00 0.00 66.41 65.24 2jxb h THR 64 Cb 1.26 -0.01 -0.07 0.00 -1.07 0.00 0.00 68.15 68.26 2jxb h THR 64 CO 0.41 0.08 -0.28 0.26 -0.01 0.00 0.00 175.52 175.97 2jxb s TRP 65 N -5.62 3.65 0.17 0.00 0.52 -1.26 -2.46 118.94 113.94 2jxb s TRP 65 Ca -0.10 0.83 0.08 0.00 0.02 0.00 0.00 56.10 56.93 2jxb s TRP 65 Cb 0.27 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.32 2jxb s TRP 65 CO 0.80 0.58 -0.05 -1.58 0.02 0.00 0.00 176.95 176.72 2jxb s TRP 66 N -0.75 2.76 -0.14 -1.98 0.51 -0.55 -4.51 118.94 114.28 2jxb s TRP 66 Ca 0.21 -0.17 0.01 0.00 -2.12 0.00 0.00 56.10 54.03 2jxb s TRP 66 Cb -0.15 -1.35 -0.00 0.00 -0.81 0.00 0.00 33.47 31.16 2jxb s TRP 66 CO 0.10 0.51 -0.17 0.50 -0.51 0.00 0.00 176.95 177.38 2jxb s ARG 67 N -2.83 3.22 0.33 4.98 3.52 -0.92 -1.86 118.95 125.39 2jxb s ARG 67 Ca 0.26 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 55.13 2jxb s ARG 67 Cb -0.09 -2.55 -0.04 0.00 -1.56 0.00 0.00 34.95 30.71 2jxb s ARG 67 CO 0.17 0.10 0.14 0.14 -0.81 0.00 0.00 175.30 175.03 2jxb s VAL 68 N 0.61 0.49 0.00 7.11 -7.23 -1.17 0.22 120.40 120.42 2jxb s VAL 68 Ca -0.09 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.11 2jxb s VAL 68 Cb -0.16 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 2jxb s VAL 68 CO 0.03 0.00 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.10 2jxb s ARG 69 N -3.81 0.91 0.44 4.82 3.52 -0.27 -2.67 118.95 121.89 2jxb s ARG 69 Ca 0.33 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2jxb s ARG 69 Cb 0.05 -0.88 0.09 0.00 -1.56 0.00 0.00 34.95 32.64 2jxb s ARG 69 CO 0.17 0.24 0.60 0.27 -0.81 0.00 0.00 175.30 175.76 2jxb n ASN 70 N 2.60 0.85 0.00 -2.12 0.23 -0.77 -0.75 115.26 115.30 2jxb n ASN 70 Ca -0.15 -1.71 0.09 0.00 -0.53 0.00 0.00 54.58 52.28 2jxb n ASN 70 Cb 0.56 -0.38 0.41 0.00 -2.08 0.00 0.00 39.78 38.28 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 -2.92 1.88 0.71 -2.53 0.00 -1.26 -2.39 120.51 114.00 2jxb n ALA 71 Ca -0.10 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.32 2jxb n ALA 71 Cb 0.36 -1.30 0.17 0.00 0.00 0.00 0.00 19.45 18.68 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 -1.44 2.57 -1.30 0.00 0.00 -1.26 -4.87 120.51 114.21 2jxb n ALA 72 Ca 0.06 -0.69 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 2jxb n ALA 72 Cb 0.19 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.61 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 0.52 -5.22 -4.87 0.00 4.13 -1.00 -4.97 115.26 103.85 2jxb n ASN 73 Ca 0.12 0.26 -0.35 0.00 1.68 0.00 0.00 54.58 56.30 2jxb n ASN 73 Cb 0.38 -3.64 -0.05 0.00 -1.54 0.00 0.00 39.78 34.93 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 -2.74 3.73 -0.04 3.52 6.06 -1.26 -4.92 118.95 123.29 2jxb s ARG 74 Ca 0.00 0.14 0.05 0.00 -2.50 0.00 0.00 55.73 53.42 2jxb s ARG 74 Cb 0.00 -3.02 -0.01 0.00 0.06 0.00 0.00 34.95 31.98 2jxb s ARG 74 CO 0.00 0.58 -0.21 0.95 -2.50 0.00 0.00 175.30 174.13 2jxb s THR 75 N -1.37 1.69 0.25 4.11 -4.23 -1.26 -1.85 115.64 112.97 2jxb s THR 75 Ca 0.32 -0.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2jxb s THR 75 Cb -0.14 -1.43 0.01 0.00 1.34 0.00 0.00 72.50 72.28 2jxb s THR 75 CO 0.17 0.48 0.36 0.61 -0.54 0.00 0.00 174.62 175.70 2jxb n GLY 76 N 2.96 2.30 3.60 3.99 0.00 -1.09 -4.99 105.19 111.96 2jxb n GLY 76 Ca -0.17 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.66 2.78 -0.05 1.61 2.02 -1.15 -3.06 117.35 115.84 2jxb s TYR 77 Ca 0.19 -0.13 -0.21 0.00 -0.37 0.00 0.00 57.07 56.55 2jxb s TYR 77 Cb -0.01 -1.46 0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2jxb s TYR 77 CO 0.14 0.43 0.46 0.14 -1.57 0.00 0.00 175.55 175.15 2jxb s VAL 78 N -1.22 0.03 -0.01 0.71 -7.23 -0.77 -2.04 120.40 109.86 2jxb s VAL 78 Ca 0.22 -0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 59.84 2jxb s VAL 78 Cb -0.11 -0.76 -0.06 0.00 0.56 0.00 0.00 36.38 36.02 2jxb s VAL 78 CO 0.14 -0.13 1.46 -2.16 -0.31 0.00 0.00 175.10 174.10 2jxb s PRO 79 N -1.06 4.25 0.50 4.82 0.04 -1.26 -1.48 135.00 140.81 2jxb s PRO 79 Ca -0.11 2.02 0.34 0.00 0.04 0.00 0.00 61.00 63.29 2jxb s PRO 79 Cb -0.03 -3.65 1.83 0.00 0.04 0.00 0.00 34.50 32.68 2jxb s PRO 79 CO 0.06 -0.65 2.03 0.66 0.04 0.00 0.00 177.00 179.14 2jxb h SER 80 N 8.17 0.00 0.64 6.66 4.64 -1.80 -0.28 113.55 131.58 2jxb h SER 80 Ca -0.38 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.82 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 0.92 0.00 -0.57 0.78 -0.87 0.00 0.00 176.83 177.09 2jxb h ASN 81 N 0.00 0.00 -0.26 4.97 4.21 -1.90 -2.83 115.58 119.77 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 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2jxb h ASN 81 CO 0.00 0.57 0.00 -1.22 -1.29 0.00 0.00 177.43 175.49 2jxb n TYR 82 N -3.78 0.32 -4.26 1.19 4.02 -0.13 -4.93 117.16 109.60 2jxb n TYR 82 Ca -0.01 -0.16 -0.16 0.00 -0.01 0.00 0.00 57.90 57.56 2jxb n TYR 82 Cb 0.59 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.81 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 -1.68 1.30 -0.30 -0.72 0.11 -1.07 -1.56 120.40 116.48 2jxb s VAL 83 Ca 0.35 -2.01 -0.09 0.00 -2.93 0.00 0.00 61.98 57.31 2jxb s VAL 83 Cb 0.21 -1.80 0.14 0.00 -1.53 0.00 0.00 36.38 33.40 2jxb s VAL 83 CO 0.30 -0.65 0.66 -0.70 -3.33 0.00 0.00 175.10 171.38 2jxb s GLU 84 N -3.48 0.56 0.81 1.54 -6.30 0.11 -4.82 118.70 107.12 2jxb s GLU 84 Ca 0.16 1.35 -0.11 0.00 -2.50 0.00 0.00 54.97 53.87 2jxb s GLU 84 Cb 0.00 0.81 0.08 0.00 0.00 0.00 0.00 34.13 35.02 2jxb s GLU 84 CO 0.02 -0.26 1.09 -0.98 0.02 0.00 0.00 175.26 175.15 2jxb s ARG 85 N 2.88 1.98 0.00 4.30 1.70 -1.26 -2.45 118.95 126.10 2jxb s ARG 85 Ca -0.02 1.11 0.00 0.00 -0.47 0.00 0.00 55.73 56.35 2jxb s ARG 85 Cb -0.12 -1.87 0.00 0.00 -0.57 0.00 0.00 34.95 32.39 2jxb s ARG 85 CO -0.19 -1.82 0.30 0.36 -1.08 0.00 0.00 175.30 172.87