#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 1.59 -0.09 -0.41 0.00 -1.26 -5.16 119.30 113.97 2jxb s MET 2 Ca 0.00 -1.91 0.02 0.00 0.00 0.00 0.00 55.69 53.81 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 -0.51 -0.16 -1.59 0.00 0.00 0.00 175.02 172.76 2jxb s LYS 3 N -3.75 2.89 0.02 3.16 0.00 -1.26 -5.10 119.74 115.71 2jxb s LYS 3 Ca 0.37 -0.73 -0.03 0.00 0.00 0.00 0.00 55.97 55.59 2jxb s LYS 3 Cb 0.04 -2.45 0.01 0.00 0.00 0.00 0.00 37.83 35.43 2jxb s LYS 3 CO 0.20 0.41 0.16 -1.91 0.00 0.00 0.00 175.35 174.21 2jxb n GLU 4 N 2.93 0.08 -1.79 1.78 2.13 -1.26 -5.17 120.64 119.34 2jxb n GLU 4 Ca -0.18 -0.19 -0.31 0.00 0.66 0.00 0.00 57.16 57.14 2jxb n GLU 4 Cb 0.52 0.27 0.03 0.00 0.27 0.00 0.00 31.44 32.53 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 -2.01 3.26 0.98 5.31 0.52 -1.26 -5.06 118.95 120.70 2jxb s ARG 5 Ca 0.04 0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 55.87 2jxb s ARG 5 Cb -0.00 -2.04 0.18 0.00 0.52 0.00 0.00 34.95 33.60 2jxb s ARG 5 CO 0.01 -0.81 1.09 -1.25 0.02 0.00 0.00 175.30 174.36 2jxb s PRO 6 N -5.18 0.61 0.96 3.54 0.04 -1.26 -5.04 135.00 128.68 2jxb s PRO 6 Ca 0.56 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 2jxb s PRO 6 Cb -0.12 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2jxb s PRO 6 CO 0.54 -2.63 1.09 -1.25 0.04 0.00 0.00 177.00 174.79 2jxb s PRO 7 N -4.95 0.70 1.22 0.56 0.04 -1.26 -5.05 135.00 126.26 2jxb s PRO 7 Ca 0.65 0.62 -0.21 0.00 0.04 0.00 0.00 61.00 62.10 2jxb s PRO 7 Cb -0.18 -1.76 0.30 0.00 0.04 0.00 0.00 34.50 32.90 2jxb s PRO 7 CO 0.57 -2.57 1.08 -0.35 0.04 0.00 0.00 177.00 175.77 2jxb n PRO 8 N -4.08 -3.16 -1.67 0.56 -0.04 -1.26 -4.96 135.00 120.40 2jxb n PRO 8 Ca 0.06 -1.72 -0.40 0.00 -0.04 0.00 0.00 63.50 61.39 2jxb n PRO 8 Cb 0.57 -1.62 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 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 -4.86 2.76 -1.40 0.52 0.24 -1.26 -4.81 118.33 109.53 2jxb n VAL 9 Ca 0.15 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.56 2jxb n VAL 9 Cb 0.58 -1.39 -0.06 0.00 -1.47 0.00 0.00 33.84 31.50 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 -0.13 1.46 -3.10 7.34 -0.04 -1.26 -4.53 135.00 134.74 2jxb n PRO 10 Ca 0.09 -2.00 -0.21 0.00 -0.04 0.00 0.00 63.50 61.33 2jxb n PRO 10 Cb 0.41 -3.15 0.02 0.00 -0.04 0.00 0.00 33.50 30.74 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 9.67 -5.24 -4.75 3.54 6.94 -1.26 -4.83 115.26 119.32 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 -1.41 -0.03 0.00 -2.36 0.00 0.00 39.78 36.41 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 -1.66 4.43 -0.09 -0.53 0.04 -1.26 -4.94 135.00 130.97 2jxb s PRO 12 Ca 0.21 2.05 0.14 0.00 0.04 0.00 0.00 61.00 63.43 2jxb s PRO 12 Cb -0.02 -3.16 0.29 0.00 0.04 0.00 0.00 34.50 31.64 2jxb s PRO 12 CO 0.47 -0.15 1.14 -3.47 0.04 0.00 0.00 177.00 175.03 2jxb n ASP 13 N 1.88 1.35 0.21 6.66 2.03 -1.26 -4.75 116.55 122.67 2jxb n ASP 13 Ca 0.03 -2.83 0.14 0.00 0.52 0.00 0.00 54.79 52.65 2jxb n ASP 13 Cb 0.43 -0.38 0.44 0.00 -0.72 0.00 0.00 41.12 40.90 2jxb n ASP 13 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2jxb h TYR 14 N 0.48 0.00 -3.69 -0.67 -0.00 -2.01 -3.43 116.97 107.65 2jxb h TYR 14 Ca -0.05 0.00 -0.67 0.00 0.00 0.00 0.00 58.73 58.01 2jxb h TYR 14 Cb 1.28 0.00 -0.25 0.00 0.00 0.00 0.00 36.73 37.77 2jxb h TYR 14 CO 0.26 0.00 -0.76 -0.80 -0.00 0.00 0.00 178.16 176.86 2jxb s ASN 15 N -5.45 4.07 0.01 0.10 0.02 -1.26 -4.91 114.94 107.52 2jxb s ASN 15 Ca 0.05 -0.24 0.00 0.00 -1.02 0.00 0.00 52.86 51.65 2jxb s ASN 15 Cb 0.08 -1.22 0.00 0.00 0.02 0.00 0.00 41.25 40.14 2jxb s ASN 15 CO 0.57 0.27 0.00 -0.24 0.02 0.00 0.00 177.10 177.71 2jxb n SER 16 N 2.85 -0.12 -4.63 -1.22 2.88 -1.26 -5.11 113.62 107.01 2jxb n SER 16 Ca -0.18 0.03 -0.36 0.00 -1.33 0.00 0.00 58.87 57.03 2jxb n SER 16 Cb 0.52 0.51 -0.10 0.00 -0.75 0.00 0.00 64.21 64.39 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 -4.88 3.97 -0.49 2.46 1.02 -1.26 -4.99 118.68 114.52 2jxb s LEU 17 Ca 0.00 0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.25 2jxb s LEU 17 Cb 0.00 -2.05 0.45 0.00 0.02 0.00 0.00 46.19 44.61 2jxb s LEU 17 CO 0.00 0.09 1.58 1.17 0.02 0.00 0.00 176.35 179.20 2jxb n LYS 18 N 4.13 3.18 -0.03 1.70 4.81 -1.26 -4.65 118.16 126.04 2jxb n LYS 18 Ca -0.16 -3.80 -0.06 0.00 -0.87 0.00 0.00 58.31 53.42 2jxb n LYS 18 Cb 0.52 -2.28 -0.02 0.00 0.02 0.00 0.00 35.03 33.27 2jxb n LYS 18 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2jxb n LYS 19 N -0.77 0.29 0.00 1.64 4.81 -1.26 -5.09 118.16 117.78 2jxb n LYS 19 Ca 0.52 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 2jxb n LYS 19 Cb 0.78 -1.01 0.00 0.00 0.02 0.00 0.00 35.03 34.82 2jxb n LYS 19 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jxb n GLY 20 N 2.37 -0.18 3.31 3.14 0.00 -1.26 -5.16 105.19 107.41 2jxb n GLY 20 Ca -0.09 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 3.48 0.13 1.61 0.01 -1.26 -5.13 113.70 112.55 2jxb s SER 21 Ca 0.00 -0.43 0.05 0.00 1.31 0.00 0.00 55.95 56.88 2jxb s SER 21 Cb 0.00 -1.22 -0.04 0.00 0.21 0.00 0.00 66.02 64.97 2jxb s SER 21 CO 0.00 0.21 0.09 -0.76 0.41 0.00 0.00 173.24 173.19 2jxb s LEU 22 N 0.04 3.71 -0.03 2.44 1.02 -1.26 -5.12 118.68 119.49 2jxb s LEU 22 Ca -0.08 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 53.94 2jxb s LEU 22 Cb -0.15 -2.36 0.03 0.00 0.02 0.00 0.00 46.19 43.73 2jxb s LEU 22 CO 0.05 0.11 0.04 0.68 0.02 0.00 0.00 176.35 177.26 2jxb s VAL 23 N -1.60 -0.08 0.31 -1.59 -7.23 -1.26 -5.16 120.40 103.79 2jxb s VAL 23 Ca 0.30 0.29 0.09 0.00 -1.81 0.00 0.00 61.98 60.84 2jxb s VAL 23 Cb -0.11 -0.11 -0.04 0.00 0.56 0.00 0.00 36.38 36.68 2jxb s VAL 23 CO 0.22 0.12 0.06 -0.54 -0.31 0.00 0.00 175.10 174.64 2jxb s LYS 24 N 1.43 2.30 0.36 4.82 1.02 -1.26 -5.15 119.74 123.26 2jxb s LYS 24 Ca -0.05 -1.51 -0.05 0.00 0.02 0.00 0.00 55.97 54.39 2jxb s LYS 24 Cb -0.13 -2.13 0.01 0.00 -0.52 0.00 0.00 37.83 35.06 2jxb s LYS 24 CO -0.03 0.23 0.54 -0.80 -0.92 0.00 0.00 175.35 174.38 2jxb s ASN 25 N -3.75 0.81 0.04 2.83 -0.87 -1.26 -5.15 114.94 107.59 2jxb s ASN 25 Ca 0.34 -1.45 -0.27 0.00 -1.57 0.00 0.00 52.86 49.92 2jxb s ASN 25 Cb -0.04 0.71 -0.05 0.00 -0.02 0.00 0.00 41.25 41.85 2jxb s ASN 25 CO 0.21 -1.39 0.83 -0.76 -2.57 0.00 0.00 177.10 173.42 2jxb s LEU 26 N -3.22 4.43 0.50 0.60 1.43 -1.26 -5.06 118.68 116.10 2jxb s LEU 26 Ca 0.28 1.52 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2jxb s LEU 26 Cb -0.01 -3.34 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2jxb s LEU 26 CO 0.19 -0.06 0.12 -1.00 0.23 0.00 0.00 176.35 175.82 2jxb s HIS 27 N 0.24 1.92 -1.28 0.29 3.76 -1.26 -4.79 115.29 114.17 2jxb s HIS 27 Ca 0.42 -0.88 -0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2jxb s HIS 27 Cb -0.21 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.76 2jxb s HIS 27 CO 0.24 0.07 0.98 -1.33 -0.85 0.00 0.00 174.74 173.86 2jxb n MET 28 N -1.36 -6.53 -1.38 1.40 2.81 -1.26 -4.90 117.12 105.90 2jxb n MET 28 Ca -0.12 0.78 -0.02 0.00 -1.81 0.00 0.00 57.70 56.53 2jxb n MET 28 Cb 0.66 -5.71 -0.02 0.00 -0.71 0.00 0.00 33.22 27.45 2jxb n MET 28 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2jxb n THR 29 N -4.41 0.05 -3.64 2.03 -1.04 -1.26 -5.11 114.28 100.90 2jxb n THR 29 Ca -0.20 -0.62 -0.03 0.00 -2.04 0.00 0.00 64.05 61.17 2jxb n THR 29 Cb 0.63 0.78 -0.05 0.00 -1.82 0.00 0.00 70.33 69.87 2jxb n THR 29 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2jxb s GLU 30 N -0.16 0.08 -0.41 -2.82 2.02 -1.26 -5.11 118.70 111.03 2jxb s GLU 30 Ca 0.17 0.04 0.05 0.00 0.02 0.00 0.00 54.97 55.25 2jxb s GLU 30 Cb 0.21 0.04 0.20 0.00 0.10 0.00 0.00 34.13 34.67 2jxb s GLU 30 CO -0.08 -0.02 0.40 0.39 0.02 0.00 0.00 175.26 175.97 2jxb n GLU 31 N 0.90 0.41 -4.28 1.61 -0.58 -1.26 -5.07 120.64 112.37 2jxb n GLU 31 Ca -0.04 -3.24 -0.26 0.00 -0.42 0.00 0.00 57.16 53.21 2jxb n GLU 31 Cb 0.58 -1.55 -0.09 0.00 -0.57 0.00 0.00 31.44 29.81 2jxb n GLU 31 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jxb s VAL 32 N -0.39 3.33 -0.01 2.62 1.01 -1.26 -5.03 120.40 120.67 2jxb s VAL 32 Ca 0.33 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.63 2jxb s VAL 32 Cb 0.08 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2jxb s VAL 32 CO -0.17 -0.17 0.01 -0.63 0.00 0.00 0.00 175.10 174.13 2jxb s ILE 33 N -1.86 0.03 0.45 2.22 1.01 -1.26 -0.08 121.20 121.70 2jxb s ILE 33 Ca 0.27 0.09 0.07 0.00 0.00 0.00 0.00 60.65 61.08 2jxb s ILE 33 Cb -0.08 -0.10 -0.02 0.00 0.01 0.00 0.00 42.46 42.27 2jxb s ILE 33 CO 0.17 0.07 0.31 0.54 0.00 0.00 0.00 174.94 176.02 2jxb s VAL 34 N 0.58 2.27 -0.03 2.92 0.11 -0.95 -4.06 120.40 121.25 2jxb s VAL 34 Ca -0.05 -1.51 0.02 0.00 -2.93 0.00 0.00 61.98 57.51 2jxb s VAL 34 Cb -0.07 -2.78 0.01 0.00 -1.53 0.00 0.00 36.38 32.00 2jxb s VAL 34 CO -0.01 0.00 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.05 2jxb s ILE 35 N -2.59 0.70 -0.45 7.04 -1.09 -0.46 -2.45 121.20 121.90 2jxb s ILE 35 Ca 0.42 -0.30 -0.29 0.00 -2.23 0.00 0.00 60.65 58.25 2jxb s ILE 35 Cb -0.00 -0.64 0.03 0.00 -1.58 0.00 0.00 42.46 40.26 2jxb s ILE 35 CO 0.24 0.23 1.15 0.00 -1.23 0.00 0.00 174.94 175.33 2jxb s ALA 36 N 0.33 3.20 0.41 9.38 0.00 0.83 -0.02 121.76 135.88 2jxb s ALA 36 Ca -0.05 -0.39 0.08 0.00 0.00 0.00 0.00 51.96 51.61 2jxb s ALA 36 Cb -0.09 -3.86 0.85 0.00 0.00 0.00 0.00 23.12 20.01 2jxb s ALA 36 CO 0.00 -2.14 2.00 0.87 0.00 0.00 0.00 175.76 176.49 2jxb h LYS 37 N 9.14 0.39 0.00 0.00 1.57 -1.50 -2.56 116.57 123.60 2jxb h LYS 37 Ca -0.23 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2jxb h LYS 37 Cb 1.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2jxb h LYS 37 CO 1.11 0.35 0.00 0.91 -0.57 0.00 0.00 179.45 181.25 2jxb n TRP 38 N -4.40 -0.23 -4.13 -1.35 7.02 -1.21 -4.65 117.44 108.49 2jxb n TRP 38 Ca 0.01 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.15 2jxb n TRP 38 Cb 0.15 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 28.92 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 -0.54 5.05 0.01 -0.99 1.47 -1.26 -2.97 116.67 117.44 2jxb s ASP 39 Ca 0.00 -0.11 0.06 0.00 1.18 0.00 0.00 52.55 53.68 2jxb s ASP 39 Cb 0.00 -1.86 -0.02 0.00 -0.34 0.00 0.00 42.92 40.71 2jxb s ASP 39 CO 0.00 0.12 -0.19 -0.47 0.68 0.00 0.00 175.17 175.30 2jxb s TYR 40 N 0.70 1.72 -0.17 2.11 5.04 0.88 -4.92 117.35 122.71 2jxb s TYR 40 Ca 0.00 -0.34 -0.13 0.00 -2.44 0.00 0.00 57.07 54.17 2jxb s TYR 40 Cb -0.14 -1.08 -0.05 0.00 0.35 0.00 0.00 41.96 41.05 2jxb s TYR 40 CO 0.02 0.01 0.25 0.99 -1.34 0.00 0.00 175.55 175.48 2jxb s THR 41 N -0.58 5.33 -0.59 4.34 2.01 -1.26 -0.92 115.64 123.98 2jxb s THR 41 Ca 0.07 0.45 -0.27 0.00 0.31 0.00 0.00 61.69 62.24 2jxb s THR 41 Cb -0.08 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 2jxb s THR 41 CO 0.00 0.41 2.47 0.00 -0.69 0.00 0.00 174.62 176.81 2jxb n ALA 42 N 3.48 0.71 0.23 7.40 0.00 -1.26 -4.78 120.51 126.29 2jxb n ALA 42 Ca -0.13 -0.77 0.06 0.00 0.00 0.00 0.00 53.44 52.60 2jxb n ALA 42 Cb 0.52 -3.00 0.52 0.00 0.00 0.00 0.00 19.45 17.49 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 17.80 0.00 0.00 0.00 -0.00 -1.92 -3.46 115.11 127.53 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 0.18 0.00 1.04 -0.00 0.00 0.00 178.83 181.25 2jxb n GLN 44 N -4.29 0.22 0.09 0.06 6.02 -1.26 -5.05 117.38 113.17 2jxb n GLN 44 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.80 2jxb n GLN 44 Cb 0.24 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.40 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2jxb h ASP 45 N 0.00 0.55 0.36 1.08 5.19 -2.03 -3.22 116.42 118.36 2jxb h ASP 45 Ca 0.00 -0.52 -0.05 0.00 -0.62 0.00 0.00 57.03 55.84 2jxb h ASP 45 Cb 0.00 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 2jxb h ASP 45 CO 0.00 1.35 -0.25 1.56 -3.12 0.00 0.00 179.24 178.78 2jxb h GLN 46 N 0.17 0.00 -7.16 3.56 7.50 -1.97 -3.44 115.11 113.78 2jxb h GLN 46 Ca -0.13 0.00 -0.47 0.00 0.50 0.00 0.00 58.65 58.56 2jxb h GLN 46 Cb 1.81 0.00 0.06 0.00 0.05 0.00 0.00 27.48 29.40 2jxb h GLN 46 CO 0.20 0.25 0.18 -1.21 -1.50 0.00 0.00 178.83 176.75 2jxb s GLU 47 N -4.25 2.70 -0.01 1.46 0.41 -1.22 -1.03 118.70 116.75 2jxb s GLU 47 Ca -0.03 -0.11 0.03 0.00 -0.41 0.00 0.00 54.97 54.46 2jxb s GLU 47 Cb 0.14 -2.25 -0.01 0.00 -1.78 0.00 0.00 34.13 30.23 2jxb s GLU 47 CO 0.67 -0.86 -0.10 -1.17 -0.49 0.00 0.00 175.26 173.32 2jxb s LEU 48 N -5.06 2.01 -0.35 1.80 0.20 -1.06 -4.63 118.68 111.60 2jxb s LEU 48 Ca 0.56 -0.18 -0.29 0.00 0.69 0.00 0.00 54.13 54.91 2jxb s LEU 48 Cb -0.11 -0.51 0.01 0.00 -0.43 0.00 0.00 46.19 45.15 2jxb s LEU 48 CO 0.45 0.12 1.31 -1.81 -0.29 0.00 0.00 176.35 176.13 2jxb s ASP 49 N -0.22 6.59 0.03 3.68 1.11 -1.26 -4.23 116.67 122.36 2jxb s ASP 49 Ca 0.04 1.02 0.04 0.00 0.18 0.00 0.00 52.55 53.83 2jxb s ASP 49 Cb -0.04 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 2jxb s ASP 49 CO -0.00 -1.19 -0.06 0.27 1.18 0.00 0.00 175.17 175.37 2jxb s ILE 50 N 4.65 3.67 0.05 0.77 -4.36 -0.09 -4.92 121.20 120.96 2jxb s ILE 50 Ca 0.56 -0.87 0.05 0.00 -0.26 0.00 0.00 60.65 60.14 2jxb s ILE 50 Cb -0.15 -2.63 -0.04 0.00 1.25 0.00 0.00 42.46 40.89 2jxb s ILE 50 CO 0.26 0.32 -0.08 -0.54 0.24 0.00 0.00 174.94 175.14 2jxb s LYS 51 N -1.65 2.38 0.79 0.37 1.02 -1.26 -0.08 119.74 121.31 2jxb s LYS 51 Ca 0.19 -0.85 -0.17 0.00 0.02 0.00 0.00 55.97 55.16 2jxb s LYS 51 Cb -0.11 -2.42 -0.11 0.00 -0.52 0.00 0.00 37.83 34.67 2jxb s LYS 51 CO 0.10 0.56 -0.19 0.36 -0.92 0.00 0.00 175.35 175.25 2jxb n LYS 52 N 1.17 0.04 -3.79 1.68 -0.00 -1.16 -2.93 118.16 113.17 2jxb n LYS 52 Ca -0.14 0.03 -0.30 0.00 -0.00 0.00 0.00 58.31 57.89 2jxb n LYS 52 Cb 0.52 -1.27 0.02 0.00 -0.00 0.00 0.00 35.03 34.30 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 1.89 -3.54 -4.06 -5.58 2.85 -0.96 -4.96 115.26 100.90 2jxb n ASN 53 Ca 0.04 -1.03 -0.24 0.00 -0.11 0.00 0.00 54.58 53.25 2jxb n ASN 53 Cb 0.52 -3.19 -0.16 0.00 1.24 0.00 0.00 39.78 38.19 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 -6.26 1.52 0.03 1.20 2.12 -1.15 -4.95 118.70 111.22 2jxb s GLU 54 Ca 0.31 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 55.24 2jxb s GLU 54 Cb -0.12 -1.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.92 2jxb s GLU 54 CO 0.88 0.13 -0.10 -0.98 -0.54 0.00 0.00 175.26 174.64 2jxb s ARG 55 N 0.31 2.36 0.33 4.30 1.70 -1.26 -0.12 118.95 126.57 2jxb s ARG 55 Ca -0.08 -0.84 -0.00 0.00 -0.47 0.00 0.00 55.73 54.34 2jxb s ARG 55 Cb -0.12 -2.39 -0.01 0.00 -0.57 0.00 0.00 34.95 31.86 2jxb s ARG 55 CO 0.02 0.57 0.41 -0.51 -1.08 0.00 0.00 175.30 174.71 2jxb s LEU 56 N -1.56 1.19 -0.36 -1.89 1.02 -1.02 -4.85 118.68 111.21 2jxb s LEU 56 Ca 0.17 -1.54 -0.18 0.00 0.02 0.00 0.00 54.13 52.60 2jxb s LEU 56 Cb -0.11 1.18 -0.00 0.00 0.02 0.00 0.00 46.19 47.28 2jxb s LEU 56 CO 0.08 -1.21 0.51 0.26 0.02 0.00 0.00 176.35 176.01 2jxb s TRP 57 N -3.24 3.17 0.00 0.29 0.51 -0.82 -2.23 118.94 116.63 2jxb s TRP 57 Ca 0.33 0.11 -0.30 0.00 -2.12 0.00 0.00 56.10 54.13 2jxb s TRP 57 Cb 0.01 -2.93 -0.07 0.00 -0.81 0.00 0.00 33.47 29.67 2jxb s TRP 57 CO 0.21 -0.56 1.60 -0.51 -0.51 0.00 0.00 176.95 177.18 2jxb s LEU 58 N 2.38 4.34 0.00 2.99 1.43 0.88 -0.64 118.68 130.06 2jxb s LEU 58 Ca 0.18 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.59 2jxb s LEU 58 Cb -0.16 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2jxb s LEU 58 CO 0.14 -0.87 0.00 0.18 0.23 0.00 0.00 176.35 176.03 2jxb n LEU 59 N 6.17 0.04 -3.71 1.79 4.77 0.16 -4.35 117.00 121.86 2jxb n LEU 59 Ca 0.16 0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.90 2jxb n LEU 59 Cb 0.42 -0.43 -0.17 0.00 -2.33 0.00 0.00 43.42 40.92 2jxb n LEU 59 CO 0.62 -0.43 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.27 2jxb s ASP 60 N -3.49 2.81 -0.69 -1.43 -1.08 -1.07 -5.00 116.67 106.72 2jxb s ASP 60 Ca 0.00 -0.78 0.05 0.00 -0.52 0.00 0.00 52.55 51.30 2jxb s ASP 60 Cb 0.00 -0.53 0.18 0.00 -1.46 0.00 0.00 42.92 41.11 2jxb s ASP 60 CO 0.00 -0.31 0.54 -0.90 0.52 0.00 0.00 175.17 175.01 2jxb n ASP 61 N 5.09 3.07 -0.07 -0.34 5.75 -1.26 -2.09 116.55 126.70 2jxb n ASP 61 Ca -0.09 -3.23 -0.14 0.00 -0.01 0.00 0.00 54.79 51.32 2jxb n ASP 61 Cb 0.47 -0.74 -0.05 0.00 -1.03 0.00 0.00 41.12 39.78 2jxb n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jxb n SER 62 N 1.78 0.99 -4.44 -1.12 7.64 -1.26 -5.03 113.62 112.18 2jxb n SER 62 Ca 0.22 0.15 -0.26 0.00 1.01 0.00 0.00 58.87 59.99 2jxb n SER 62 Cb 0.36 -0.38 0.14 0.00 -1.01 0.00 0.00 64.21 63.32 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 1.22 0.35 1.43 1.02 -1.26 -4.94 119.74 115.31 2jxb s LYS 63 Ca -0.18 -0.77 0.14 0.00 0.02 0.00 0.00 55.97 55.18 2jxb s LYS 63 Cb 0.07 -2.10 1.02 0.00 -0.52 0.00 0.00 37.83 36.30 2jxb s LYS 63 CO 0.23 -1.88 1.72 0.00 -0.92 0.00 0.00 175.35 174.50 2jxb h THR 64 N -1.04 0.45 -2.87 2.17 1.03 -1.93 -3.39 112.91 107.33 2jxb h THR 64 Ca -0.40 -0.15 -0.63 0.00 -0.01 0.00 0.00 66.41 65.21 2jxb h THR 64 Cb 1.25 -0.03 -0.06 0.00 -1.07 0.00 0.00 68.15 68.24 2jxb h THR 64 CO 0.40 0.08 -0.31 0.26 -0.01 0.00 0.00 175.52 175.94 2jxb s TRP 65 N -5.65 3.68 0.21 0.00 0.52 -1.26 -2.46 118.94 113.98 2jxb s TRP 65 Ca -0.10 0.82 0.09 0.00 0.02 0.00 0.00 56.10 56.93 2jxb s TRP 65 Cb 0.28 -2.16 -0.04 0.00 -1.15 0.00 0.00 33.47 30.40 2jxb s TRP 65 CO 0.80 0.68 -0.03 -1.58 0.02 0.00 0.00 176.95 176.84 2jxb s TRP 66 N -1.06 2.72 -0.13 -1.98 0.51 -0.54 -4.49 118.94 113.97 2jxb s TRP 66 Ca 0.20 -0.20 0.03 0.00 -2.12 0.00 0.00 56.10 54.02 2jxb s TRP 66 Cb -0.15 -1.28 0.01 0.00 -0.81 0.00 0.00 33.47 31.24 2jxb s TRP 66 CO 0.10 0.55 -0.22 0.50 -0.51 0.00 0.00 176.95 177.37 2jxb s ARG 67 N -3.18 2.97 0.37 4.98 3.52 -0.89 -1.82 118.95 124.91 2jxb s ARG 67 Ca 0.28 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 2jxb s ARG 67 Cb -0.08 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.89 2jxb s ARG 67 CO 0.18 0.00 0.10 0.14 -0.81 0.00 0.00 175.30 174.91 2jxb s VAL 68 N 0.77 0.82 -0.01 7.11 -7.23 -1.22 0.36 120.40 121.01 2jxb s VAL 68 Ca -0.08 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.17 2jxb s VAL 68 Cb -0.16 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2jxb s VAL 68 CO -0.01 0.00 -0.26 -0.60 -0.31 0.00 0.00 175.10 173.93 2jxb s ARG 69 N -3.80 2.06 0.66 4.82 3.52 0.19 -3.49 118.95 122.90 2jxb s ARG 69 Ca 0.29 -0.96 -0.06 0.00 -0.13 0.00 0.00 55.73 54.87 2jxb s ARG 69 Cb 0.05 -2.04 0.04 0.00 -1.56 0.00 0.00 34.95 31.44 2jxb s ARG 69 CO 0.14 0.55 0.96 1.21 -0.81 0.00 0.00 175.30 177.36 2jxb s ASN 70 N -0.76 5.07 0.46 -2.12 2.47 0.77 -1.94 114.94 118.89 2jxb s ASN 70 Ca 0.10 0.48 0.30 0.00 0.42 0.00 0.00 52.86 54.17 2jxb s ASN 70 Cb -0.10 -1.25 1.16 0.00 -1.45 0.00 0.00 41.25 39.61 2jxb s ASN 70 CO -0.00 -1.41 1.88 0.00 -3.72 0.00 0.00 177.10 173.85 2jxb h ALA 71 N -0.42 1.00 -0.53 1.71 0.00 -1.88 -2.75 119.26 116.39 2jxb h ALA 71 Ca -0.44 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2jxb h ALA 71 Cb 1.30 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 2jxb h ALA 71 CO 0.60 0.00 0.18 0.00 0.00 0.00 0.00 179.25 180.02 2jxb n ALA 72 N -2.01 3.97 -1.43 0.00 0.00 -1.26 -4.85 120.51 114.93 2jxb n ALA 72 Ca 0.01 -1.64 -0.13 0.00 0.00 0.00 0.00 53.44 51.68 2jxb n ALA 72 Cb 0.32 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.53 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 0.03 -4.60 -4.87 0.00 3.02 -1.04 -4.99 115.26 102.81 2jxb n ASN 73 Ca 0.29 0.32 -0.30 0.00 -0.03 0.00 0.00 54.58 54.85 2jxb n ASN 73 Cb 1.09 -3.30 -0.03 0.00 -0.61 0.00 0.00 39.78 36.93 2jxb n ASN 73 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2jxb s ARG 74 N -3.21 3.79 -0.00 3.52 6.06 -1.25 -4.86 118.95 123.00 2jxb s ARG 74 Ca 0.00 0.51 -0.01 0.00 -2.50 0.00 0.00 55.73 53.74 2jxb s ARG 74 Cb 0.00 -2.36 -0.00 0.00 0.06 0.00 0.00 34.95 32.65 2jxb s ARG 74 CO 0.00 -0.07 0.01 0.95 -2.50 0.00 0.00 175.30 173.69 2jxb s THR 75 N -2.42 0.02 0.08 4.11 -4.23 -1.26 -0.16 115.64 111.77 2jxb s THR 75 Ca 0.52 -0.16 -0.21 0.00 -1.18 0.00 0.00 61.69 60.66 2jxb s THR 75 Cb -0.10 -0.08 0.07 0.00 1.34 0.00 0.00 72.50 73.73 2jxb s THR 75 CO 0.32 -0.09 0.98 0.61 -0.54 0.00 0.00 174.62 175.91 2jxb n GLY 76 N 2.81 0.51 3.63 3.99 0.00 -1.23 -4.90 105.19 110.00 2jxb n GLY 76 Ca -0.14 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.43 2.77 -0.03 1.61 1.51 -0.20 -3.36 117.35 117.21 2jxb s TYR 77 Ca 0.23 -0.16 -0.21 0.00 -1.01 0.00 0.00 57.07 55.91 2jxb s TYR 77 Cb -0.02 -1.35 0.04 0.00 -0.11 0.00 0.00 41.96 40.53 2jxb s TYR 77 CO 0.02 0.52 0.45 0.14 -1.11 0.00 0.00 175.55 175.57 2jxb s VAL 78 N -1.71 0.03 -0.00 0.71 -7.23 -0.76 -2.55 120.40 108.89 2jxb s VAL 78 Ca 0.26 -0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 2jxb s VAL 78 Cb -0.09 -0.75 -0.06 0.00 0.56 0.00 0.00 36.38 36.04 2jxb s VAL 78 CO 0.17 -0.16 1.45 -2.16 -0.31 0.00 0.00 175.10 174.10 2jxb s PRO 79 N -1.21 4.26 0.45 4.82 0.04 -1.26 -1.47 135.00 140.62 2jxb s PRO 79 Ca -0.12 2.02 0.30 0.00 0.04 0.00 0.00 61.00 63.25 2jxb s PRO 79 Cb -0.03 -3.62 1.65 0.00 0.04 0.00 0.00 34.50 32.53 2jxb s PRO 79 CO 0.06 -0.63 1.93 0.66 0.04 0.00 0.00 177.00 179.07 2jxb h SER 80 N 8.07 0.00 0.77 6.66 4.64 -1.80 -0.24 113.55 131.65 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 0.91 0.00 -0.55 0.78 -0.87 0.00 0.00 176.83 177.10 2jxb h ASN 81 N 0.00 0.00 -0.26 4.97 4.21 -1.90 -2.92 115.58 119.68 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 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2jxb h ASN 81 CO 0.00 0.55 0.00 -1.22 -1.29 0.00 0.00 177.43 175.47 2jxb n TYR 82 N -3.64 0.32 -4.26 1.19 4.02 -0.12 -4.94 117.16 109.74 2jxb n TYR 82 Ca -0.01 -0.16 -0.15 0.00 -0.01 0.00 0.00 57.90 57.58 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 -1.68 1.22 -0.29 -0.72 0.11 -1.10 -1.28 120.40 116.67 2jxb s VAL 83 Ca 0.35 -2.05 -0.14 0.00 -2.93 0.00 0.00 61.98 57.21 2jxb s VAL 83 Cb 0.22 -1.84 0.10 0.00 -1.53 0.00 0.00 36.38 33.33 2jxb s VAL 83 CO 0.31 -0.71 0.69 -1.83 -3.33 0.00 0.00 175.10 170.22 2jxb s GLU 84 N -3.66 0.66 0.71 1.54 4.04 0.97 -4.81 118.70 118.14 2jxb s GLU 84 Ca 0.16 1.28 -0.11 0.00 0.04 0.00 0.00 54.97 56.35 2jxb s GLU 84 Cb 0.02 0.37 0.02 0.00 0.02 0.00 0.00 34.13 34.55 2jxb s GLU 84 CO 0.01 -0.16 1.06 -0.98 -1.84 0.00 0.00 175.26 173.35 2jxb s ARG 85 N 2.03 2.82 0.00 -4.83 1.04 -1.26 -1.36 118.95 117.39 2jxb s ARG 85 Ca -0.09 0.93 0.28 0.00 -1.04 0.00 0.00 55.73 55.81 2jxb s ARG 85 Cb -0.07 -1.98 0.96 0.00 -2.04 0.00 0.00 34.95 31.82 2jxb s ARG 85 CO -0.20 -1.18 1.69 0.36 -0.04 0.00 0.00 175.30 175.94