#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 0.47 -0.01 -1.40 1.00 -1.26 -5.16 119.30 112.94 2jxb s MET 2 Ca 0.00 0.63 0.01 0.00 0.00 0.00 0.00 55.69 56.33 2jxb s MET 2 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 34.83 35.01 2jxb s MET 2 CO 0.00 -0.08 -0.02 -1.59 0.00 0.00 0.00 175.02 173.33 2jxb s LYS 3 N 0.48 0.19 0.49 2.03 -2.85 -1.26 -5.11 119.74 113.71 2jxb s LYS 3 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 55.97 54.89 2jxb s LYS 3 Cb -0.04 -0.21 0.00 0.00 -2.06 0.00 0.00 37.83 35.52 2jxb s LYS 3 CO -0.02 0.02 0.00 -1.91 0.10 0.00 0.00 175.35 173.54 2jxb n GLU 4 N 3.18 -2.17 -0.72 1.78 2.13 -1.26 -4.82 120.64 118.76 2jxb n GLU 4 Ca -0.14 1.43 -0.31 0.00 0.66 0.00 0.00 57.16 58.79 2jxb n GLU 4 Cb 0.58 -2.64 0.17 0.00 0.27 0.00 0.00 31.44 29.82 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 -1.78 0.95 0.96 5.31 3.00 -1.26 -5.00 118.95 121.13 2jxb s ARG 5 Ca 0.00 1.47 -0.12 0.00 0.00 0.00 0.00 55.73 57.08 2jxb s ARG 5 Cb 0.00 -1.73 0.17 0.00 0.00 0.00 0.00 34.95 33.39 2jxb s ARG 5 CO 0.00 -2.65 1.09 -1.25 0.00 0.00 0.00 175.30 172.49 2jxb s PRO 6 N -4.65 0.72 0.98 3.54 0.04 -1.26 -5.04 135.00 129.32 2jxb s PRO 6 Ca 0.66 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.21 2jxb s PRO 6 Cb -0.23 -1.76 0.18 0.00 0.04 0.00 0.00 34.50 32.73 2jxb s PRO 6 CO 0.58 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.90 2jxb s PRO 7 N -4.95 0.60 1.13 0.56 0.04 -1.26 -5.04 135.00 126.08 2jxb s PRO 7 Ca 0.65 0.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.11 2jxb s PRO 7 Cb -0.18 -1.75 0.25 0.00 0.04 0.00 0.00 34.50 32.86 2jxb s PRO 7 CO 0.57 -2.63 1.11 -1.25 0.04 0.00 0.00 177.00 174.84 2jxb s PRO 8 N -4.95 -0.68 0.46 0.56 0.04 -1.26 -4.96 135.00 124.21 2jxb s PRO 8 Ca 0.65 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 61.57 2jxb s PRO 8 Cb -0.18 -1.64 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 2jxb s PRO 8 CO 0.58 -3.39 1.11 1.33 0.04 0.00 0.00 177.00 176.67 2jxb n VAL 9 N -4.57 2.75 -1.39 -0.36 0.24 -1.26 -4.80 118.33 108.94 2jxb n VAL 9 Ca 0.10 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.51 2jxb n VAL 9 Cb 0.59 -1.32 -0.06 0.00 -1.47 0.00 0.00 33.84 31.57 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 1.45 -3.12 7.34 -0.04 -1.26 -4.53 135.00 134.71 2jxb n PRO 10 Ca 0.09 -1.99 -0.22 0.00 -0.04 0.00 0.00 63.50 61.34 2jxb n PRO 10 Cb 0.41 -3.14 0.02 0.00 -0.04 0.00 0.00 33.50 30.75 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 9.68 -5.24 -4.75 3.54 6.94 -1.26 -4.83 115.26 119.34 2jxb n ASN 11 Ca 0.48 0.04 -0.41 0.00 -0.02 0.00 0.00 54.58 54.67 2jxb n ASN 11 Cb 0.42 -1.41 -0.03 0.00 -2.36 0.00 0.00 39.78 36.40 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 -1.70 4.42 -0.41 -0.53 0.04 -1.26 -4.96 135.00 130.61 2jxb s PRO 12 Ca 0.22 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.42 2jxb s PRO 12 Cb -0.02 -3.16 0.40 0.00 0.04 0.00 0.00 34.50 31.76 2jxb s PRO 12 CO 0.49 -0.15 0.93 -0.25 0.04 0.00 0.00 177.00 178.06 2jxb n ASP 13 N 1.91 2.56 -0.00 6.66 8.00 -1.26 -4.80 116.55 129.61 2jxb n ASP 13 Ca 0.03 -3.19 0.08 0.00 0.71 0.00 0.00 54.79 52.42 2jxb n ASP 13 Cb 0.43 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jxb n TYR 14 N -0.10 0.00 -1.76 1.24 0.18 -1.26 -4.97 117.16 110.49 2jxb n TYR 14 Ca 0.24 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.60 2jxb n TYR 14 Cb 0.67 -0.21 -0.03 0.00 -0.38 0.00 0.00 39.34 39.39 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 -3.24 6.46 -0.16 9.48 0.02 -1.26 -4.98 114.94 121.26 2jxb s ASN 15 Ca -0.01 2.70 -0.06 0.00 -1.02 0.00 0.00 52.86 54.47 2jxb s ASN 15 Cb 0.10 -2.57 -0.04 0.00 0.02 0.00 0.00 41.25 38.77 2jxb s ASN 15 CO 0.63 -0.98 0.03 -0.55 0.02 0.00 0.00 177.10 176.26 2jxb s SER 16 N 2.64 5.41 -0.05 -1.22 0.15 -1.26 -4.97 113.70 114.40 2jxb s SER 16 Ca 0.79 0.06 0.24 0.00 0.70 0.00 0.00 55.95 57.74 2jxb s SER 16 Cb -0.45 -1.87 0.43 0.00 -1.71 0.00 0.00 66.02 62.43 2jxb s SER 16 CO 0.35 0.21 1.16 0.00 1.20 0.00 0.00 173.24 176.16 2jxb n LEU 17 N 3.29 1.00 -4.19 3.45 -0.00 -1.26 -5.10 117.00 114.20 2jxb n LEU 17 Ca -0.17 -2.21 -0.13 0.00 -0.00 0.00 0.00 56.01 53.49 2jxb n LEU 17 Cb 0.53 0.09 -0.10 0.00 -0.00 0.00 0.00 43.42 43.93 2jxb n LEU 17 CO 0.34 0.66 -0.41 -1.59 -0.00 0.00 0.00 177.39 176.38 2jxb s LYS 18 N -0.73 0.88 0.11 1.47 -2.85 -1.26 -5.06 119.74 112.30 2jxb s LYS 18 Ca 0.31 -1.25 -0.19 0.00 -1.00 0.00 0.00 55.97 53.84 2jxb s LYS 18 Cb 0.36 -0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 35.60 2jxb s LYS 18 CO -0.14 0.06 1.68 0.87 0.10 0.00 0.00 175.35 177.92 2jxb h LYS 19 N 3.29 0.38 0.00 1.78 1.57 -2.06 -3.48 116.57 118.05 2jxb h LYS 19 Ca -0.37 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2jxb h LYS 19 Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2jxb h LYS 19 CO 0.57 0.39 0.00 0.41 -0.57 0.00 0.00 179.45 180.25 2jxb n GLY 20 N -0.81 0.13 0.66 3.86 0.00 -1.26 -5.00 105.19 102.76 2jxb n GLY 20 Ca -0.02 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2jxb n GLY 20 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jxb n SER 21 N -2.11 0.00 -1.29 1.61 3.41 -1.26 -5.17 113.62 108.80 2jxb n SER 21 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 2jxb n SER 21 Cb 0.00 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.05 2jxb n SER 21 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2jxb n LEU 22 N -1.54 -0.82 0.00 1.04 4.77 -1.26 -4.91 117.00 114.28 2jxb n LEU 22 Ca 0.00 1.88 0.00 0.00 -0.03 0.00 0.00 56.01 57.86 2jxb n LEU 22 Cb 0.00 -3.86 0.00 0.00 -2.33 0.00 0.00 43.42 37.23 2jxb n LEU 22 CO 0.00 -2.52 -0.47 0.55 -1.33 0.00 0.00 177.39 173.62 2jxb n VAL 23 N -4.12 0.00 0.00 4.08 3.14 -1.26 -5.07 118.33 115.11 2jxb n VAL 23 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2jxb n VAL 23 Cb 0.60 -0.72 0.00 0.00 -1.06 0.00 0.00 33.84 32.67 2jxb n VAL 23 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2jxb n LYS 24 N -2.14 0.00 -2.48 1.45 4.76 -1.26 -5.17 118.16 113.32 2jxb n LYS 24 Ca 0.00 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2jxb n LYS 24 Cb 0.47 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 2jxb n LYS 24 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jxb n ASN 25 N -1.87 -0.26 -4.71 4.39 2.85 -1.26 -5.18 115.26 109.22 2jxb n ASN 25 Ca 0.00 -1.02 -0.24 0.00 -0.11 0.00 0.00 54.58 53.22 2jxb n ASN 25 Cb 0.00 0.39 0.10 0.00 1.24 0.00 0.00 39.78 41.51 2jxb n ASN 25 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2jxb s LEU 26 N 0.00 2.99 -0.43 1.20 1.43 -1.26 -5.04 118.68 117.57 2jxb s LEU 26 Ca 0.08 -0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 2jxb s LEU 26 Cb -0.00 -2.29 0.42 0.00 0.03 0.00 0.00 46.19 44.35 2jxb s LEU 26 CO -0.01 -1.79 1.10 0.00 0.23 0.00 0.00 176.35 175.89 2jxb n HIS 27 N -2.84 3.27 -3.89 0.29 1.44 -1.26 -5.00 115.22 107.22 2jxb n HIS 27 Ca 0.13 -3.08 -0.25 0.00 -2.01 0.00 0.00 57.72 52.52 2jxb n HIS 27 Cb 0.60 -0.10 -0.17 0.00 0.12 0.00 0.00 29.99 30.44 2jxb n HIS 27 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 2jxb s MET 28 N -3.52 1.12 0.05 -1.40 -1.94 -1.26 -5.14 119.30 107.22 2jxb s MET 28 Ca 0.47 -0.10 0.03 0.00 -1.71 0.00 0.00 55.69 54.38 2jxb s MET 28 Cb 0.40 -1.29 -0.02 0.00 2.01 0.00 0.00 34.83 35.93 2jxb s MET 28 CO -0.17 -0.26 -0.10 0.95 -0.01 0.00 0.00 175.02 175.43 2jxb s THR 29 N 1.73 0.78 0.00 2.05 -4.23 -1.26 -5.08 115.64 109.63 2jxb s THR 29 Ca 0.03 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2jxb s THR 29 Cb -0.13 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2jxb s THR 29 CO -0.06 -0.26 0.00 1.21 -0.54 0.00 0.00 174.62 174.97 2jxb n GLU 30 N 1.55 0.00 -3.29 3.99 2.13 -1.26 -5.11 120.64 118.65 2jxb n GLU 30 Ca -0.21 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.36 2jxb n GLU 30 Cb 0.55 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.18 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 1.38 -4.17 5.31 1.02 -1.26 -5.05 120.64 117.87 2jxb n GLU 31 Ca 0.00 -3.77 -0.27 0.00 -0.02 0.00 0.00 57.16 53.10 2jxb n GLU 31 Cb 0.00 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 29.73 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 -1.64 3.92 -0.01 2.62 1.01 -1.26 -5.03 120.40 120.01 2jxb s VAL 32 Ca 0.37 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2jxb s VAL 32 Cb 0.16 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2jxb s VAL 32 CO -0.08 -0.08 0.01 -0.63 0.00 0.00 0.00 175.10 174.32 2jxb s ILE 33 N -1.67 0.05 0.47 2.22 1.01 -1.26 -0.09 121.20 121.93 2jxb s ILE 33 Ca 0.28 0.07 0.07 0.00 0.00 0.00 0.00 60.65 61.06 2jxb s ILE 33 Cb -0.10 -0.11 0.00 0.00 0.01 0.00 0.00 42.46 42.26 2jxb s ILE 33 CO 0.20 0.07 0.35 0.54 0.00 0.00 0.00 174.94 176.10 2jxb s VAL 34 N 0.54 2.13 -0.03 2.92 0.11 -0.86 -4.19 120.40 121.01 2jxb s VAL 34 Ca -0.05 -1.48 -0.01 0.00 -2.93 0.00 0.00 61.98 57.52 2jxb s VAL 34 Cb -0.07 -2.61 0.03 0.00 -1.53 0.00 0.00 36.38 32.20 2jxb s VAL 34 CO -0.01 0.00 0.03 -0.63 -3.33 0.00 0.00 175.10 171.15 2jxb s ILE 35 N -2.64 0.05 -0.31 7.04 1.01 -1.14 -2.36 121.20 122.86 2jxb s ILE 35 Ca 0.41 0.22 -0.29 0.00 0.00 0.00 0.00 60.65 60.99 2jxb s ILE 35 Cb -0.01 -0.21 -0.00 0.00 0.01 0.00 0.00 42.46 42.24 2jxb s ILE 35 CO 0.24 0.15 1.40 0.00 0.00 0.00 0.00 174.94 176.73 2jxb s ALA 36 N 1.46 3.26 0.46 9.38 0.00 0.73 0.12 121.76 137.17 2jxb s ALA 36 Ca -0.04 0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.15 2jxb s ALA 36 Cb -0.13 -3.84 1.04 0.00 0.00 0.00 0.00 23.12 20.20 2jxb s ALA 36 CO -0.03 -1.98 2.09 0.87 0.00 0.00 0.00 175.76 176.72 2jxb h LYS 37 N 10.01 0.30 -4.06 0.00 1.57 -1.37 -0.46 116.57 122.57 2jxb h LYS 37 Ca -0.28 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.23 2jxb h LYS 37 Cb 1.11 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 2jxb h LYS 37 CO 1.04 0.20 -0.19 -1.58 -0.57 0.00 0.00 179.45 178.35 2jxb s TRP 38 N -5.31 0.98 -0.04 -1.35 0.52 -1.21 -4.53 118.94 107.99 2jxb s TRP 38 Ca -0.07 -1.23 -0.19 0.00 0.02 0.00 0.00 56.10 54.63 2jxb s TRP 38 Cb 0.17 -0.05 -0.05 0.00 -1.15 0.00 0.00 33.47 32.39 2jxb s TRP 38 CO 0.71 -1.12 0.54 0.16 0.02 0.00 0.00 176.95 177.26 2jxb s ASP 39 N -3.21 6.86 0.11 2.95 -4.77 -1.26 -3.90 116.67 113.46 2jxb s ASP 39 Ca 0.30 1.03 0.08 0.00 -3.30 0.00 0.00 52.55 50.65 2jxb s ASP 39 Cb -0.00 -2.33 -0.04 0.00 -1.09 0.00 0.00 42.92 39.46 2jxb s ASP 39 CO 0.19 0.08 -0.19 -0.47 0.70 0.00 0.00 175.17 175.48 2jxb s TYR 40 N 0.03 1.71 -0.19 2.11 5.04 0.92 -4.94 117.35 122.04 2jxb s TYR 40 Ca 0.29 -0.44 -0.07 0.00 -2.44 0.00 0.00 57.07 54.41 2jxb s TYR 40 Cb -0.17 -0.92 -0.04 0.00 0.35 0.00 0.00 41.96 41.18 2jxb s TYR 40 CO 0.15 0.21 0.05 0.99 -1.34 0.00 0.00 175.55 175.61 2jxb s THR 41 N -1.42 4.63 -0.56 4.34 2.01 -1.26 -1.90 115.64 121.48 2jxb s THR 41 Ca 0.08 -0.09 -0.27 0.00 0.31 0.00 0.00 61.69 61.72 2jxb s THR 41 Cb -0.09 -3.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 2jxb s THR 41 CO 0.04 0.45 2.45 0.00 -0.69 0.00 0.00 174.62 176.87 2jxb n ALA 42 N 3.72 0.76 0.03 7.40 0.00 -1.26 -4.79 120.51 126.37 2jxb n ALA 42 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.52 2jxb n ALA 42 Cb 0.52 -3.00 0.32 0.00 0.00 0.00 0.00 19.45 17.28 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 17.75 0.45 0.00 0.00 -0.00 -1.91 -3.46 115.11 127.94 2jxb h GLN 43 Ca -0.22 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.31 2jxb h GLN 43 Cb 1.28 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.69 2jxb h GLN 43 CO 1.19 0.51 -0.02 1.04 -0.00 0.00 0.00 178.83 181.55 2jxb n GLN 44 N -4.27 0.38 0.08 0.06 6.02 -1.26 -5.05 117.38 113.34 2jxb n GLN 44 Ca 0.01 -0.17 -0.21 0.00 -0.01 0.00 0.00 57.00 56.62 2jxb n GLN 44 Cb 0.26 0.12 -0.12 0.00 1.02 0.00 0.00 30.24 31.52 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 0.09 0.86 0.21 1.08 3.45 -2.03 -3.21 116.42 116.87 2jxb h ASP 45 Ca -0.01 -0.77 -0.02 0.00 0.43 0.00 0.00 57.03 56.66 2jxb h ASP 45 Cb 0.06 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 2jxb h ASP 45 CO 0.02 1.57 -0.09 1.56 -1.57 0.00 0.00 179.24 180.73 2jxb h GLN 46 N 0.30 0.00 -7.02 3.56 1.08 -1.97 -3.43 115.11 107.62 2jxb h GLN 46 Ca -0.17 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.57 2jxb h GLN 46 Cb 1.86 0.00 0.05 0.00 -0.05 0.00 0.00 27.48 29.34 2jxb h GLN 46 CO 0.23 0.09 0.09 -1.21 -0.95 0.00 0.00 178.83 177.09 2jxb s GLU 47 N -4.45 2.74 0.02 1.46 0.41 -1.21 -2.38 118.70 115.29 2jxb s GLU 47 Ca -0.04 -0.29 0.04 0.00 -0.41 0.00 0.00 54.97 54.27 2jxb s GLU 47 Cb 0.14 -2.35 -0.02 0.00 -1.78 0.00 0.00 34.13 30.13 2jxb s GLU 47 CO 0.60 -0.72 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.36 2jxb s LEU 48 N -4.91 2.12 -0.32 1.80 0.20 -1.04 -4.67 118.68 111.84 2jxb s LEU 48 Ca 0.55 -0.35 -0.29 0.00 0.69 0.00 0.00 54.13 54.73 2jxb s LEU 48 Cb -0.10 -0.51 0.02 0.00 -0.43 0.00 0.00 46.19 45.16 2jxb s LEU 48 CO 0.42 0.04 1.11 -1.81 -0.29 0.00 0.00 176.35 175.83 2jxb s ASP 49 N -0.81 6.88 0.29 3.68 1.11 -1.26 -4.30 116.67 122.27 2jxb s ASP 49 Ca 0.01 1.05 0.09 0.00 0.18 0.00 0.00 52.55 53.88 2jxb s ASP 49 Cb -0.06 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 2jxb s ASP 49 CO 0.00 -0.92 0.04 0.27 1.18 0.00 0.00 175.17 175.74 2jxb s ILE 50 N 3.78 3.27 0.32 0.77 -4.36 -0.80 -4.94 121.20 119.25 2jxb s ILE 50 Ca 0.47 -1.86 0.01 0.00 -0.26 0.00 0.00 60.65 59.01 2jxb s ILE 50 Cb -0.13 -2.88 0.01 0.00 1.25 0.00 0.00 42.46 40.71 2jxb s ILE 50 CO 0.17 -0.31 0.07 0.29 0.24 0.00 0.00 174.94 175.41 2jxb n LYS 51 N -0.97 1.17 -3.01 0.37 4.01 -1.26 -0.05 118.16 118.42 2jxb n LYS 51 Ca -0.05 -2.22 -0.36 0.00 -0.51 0.00 0.00 58.31 55.16 2jxb n LYS 51 Cb 0.60 0.50 -0.06 0.00 -0.51 0.00 0.00 35.03 35.55 2jxb n LYS 51 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2jxb s LYS 52 N -3.20 4.35 -1.29 1.97 3.01 -1.25 -3.61 119.74 119.72 2jxb s LYS 52 Ca 0.06 1.00 0.00 0.00 -1.01 0.00 0.00 55.97 56.02 2jxb s LYS 52 Cb -0.00 -2.86 0.00 0.00 -1.01 0.00 0.00 37.83 33.95 2jxb s LYS 52 CO 0.03 0.36 0.00 -1.71 0.51 0.00 0.00 175.35 174.55 2jxb n ASN 53 N 0.69 -5.34 -4.72 2.83 5.15 -0.18 -4.95 115.26 108.74 2jxb n ASN 53 Ca -0.01 0.30 -0.40 0.00 -0.60 0.00 0.00 54.58 53.87 2jxb n ASN 53 Cb 0.51 -3.91 -0.05 0.00 -0.53 0.00 0.00 39.78 35.80 2jxb n ASN 53 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2jxb s GLU 54 N -2.95 4.44 0.07 1.20 2.12 -1.24 -4.84 118.70 117.50 2jxb s GLU 54 Ca 0.00 0.91 0.04 0.00 0.36 0.00 0.00 54.97 56.28 2jxb s GLU 54 Cb 0.00 -3.43 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 2jxb s GLU 54 CO 0.00 0.12 -0.03 -0.98 -0.54 0.00 0.00 175.26 173.84 2jxb s ARG 55 N 0.59 2.51 0.30 4.30 3.03 -1.26 -0.19 118.95 128.23 2jxb s ARG 55 Ca 0.37 -0.82 -0.03 0.00 2.03 0.00 0.00 55.73 57.29 2jxb s ARG 55 Cb -0.18 -2.51 -0.01 0.00 -1.03 0.00 0.00 34.95 31.21 2jxb s ARG 55 CO 0.19 0.56 0.40 -0.51 -1.13 0.00 0.00 175.30 174.80 2jxb s LEU 56 N -2.05 0.99 -0.36 -1.89 1.02 -0.99 -4.89 118.68 110.50 2jxb s LEU 56 Ca 0.23 -1.39 -0.21 0.00 0.02 0.00 0.00 54.13 52.78 2jxb s LEU 56 Cb -0.11 1.24 0.00 0.00 0.02 0.00 0.00 46.19 47.34 2jxb s LEU 56 CO 0.15 -1.16 0.66 0.26 0.02 0.00 0.00 176.35 176.27 2jxb s TRP 57 N -3.47 3.14 0.00 0.29 0.51 0.33 -2.03 118.94 117.72 2jxb s TRP 57 Ca 0.32 0.35 -0.30 0.00 -2.12 0.00 0.00 56.10 54.34 2jxb s TRP 57 Cb 0.01 -3.19 -0.07 0.00 -0.81 0.00 0.00 33.47 29.42 2jxb s TRP 57 CO 0.18 -0.66 1.63 -0.51 -0.51 0.00 0.00 176.95 177.08 2jxb s LEU 58 N 2.77 4.34 0.00 2.99 1.43 0.87 -0.72 118.68 130.36 2jxb s LEU 58 Ca 0.25 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 2jxb s LEU 58 Cb -0.14 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.53 2jxb s LEU 58 CO 0.15 -0.89 0.00 0.18 0.23 0.00 0.00 176.35 176.03 2jxb n LEU 59 N 6.33 0.05 -3.72 1.79 4.77 0.14 -4.40 117.00 121.95 2jxb n LEU 59 Ca 0.16 0.03 -0.27 0.00 -0.03 0.00 0.00 56.01 55.91 2jxb n LEU 59 Cb 0.42 -0.41 -0.17 0.00 -2.33 0.00 0.00 43.42 40.94 2jxb n LEU 59 CO 0.62 -0.41 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.29 2jxb s ASP 60 N -3.37 2.63 -0.70 -1.43 3.68 -1.12 -4.94 116.67 111.42 2jxb s ASP 60 Ca 0.00 -0.69 0.05 0.00 2.13 0.00 0.00 52.55 54.04 2jxb s ASP 60 Cb 0.00 -0.51 0.17 0.00 -1.45 0.00 0.00 42.92 41.13 2jxb s ASP 60 CO 0.00 -0.30 0.50 -0.90 0.13 0.00 0.00 175.17 174.60 2jxb n ASP 61 N 5.10 2.97 -0.07 -0.34 5.68 -1.26 -2.18 116.55 126.45 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 1.95 1.00 -4.50 -1.12 7.64 -1.26 -5.04 113.62 112.29 2jxb n SER 62 Ca 0.20 0.16 -0.26 0.00 1.01 0.00 0.00 58.87 59.98 2jxb n SER 62 Cb 0.35 -0.39 0.13 0.00 -1.01 0.00 0.00 64.21 63.30 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 1.33 0.40 1.43 1.02 -1.26 -4.95 119.74 115.47 2jxb s LYS 63 Ca -0.19 -0.87 0.19 0.00 0.02 0.00 0.00 55.97 55.13 2jxb s LYS 63 Cb 0.07 -2.17 1.13 0.00 -0.52 0.00 0.00 37.83 36.35 2jxb s LYS 63 CO 0.24 -1.77 1.75 0.00 -0.92 0.00 0.00 175.35 174.64 2jxb h THR 64 N -0.90 0.47 -2.99 2.17 1.03 -1.93 -3.38 112.91 107.38 2jxb h THR 64 Ca -0.39 -0.12 -0.62 0.00 -0.01 0.00 0.00 66.41 65.26 2jxb h THR 64 Cb 1.26 0.08 -0.07 0.00 -1.07 0.00 0.00 68.15 68.34 2jxb h THR 64 CO 0.40 0.07 -0.32 0.26 -0.01 0.00 0.00 175.52 175.91 2jxb s TRP 65 N -5.48 3.61 0.15 0.00 0.52 -1.26 -2.38 118.94 114.09 2jxb s TRP 65 Ca -0.09 0.74 0.07 0.00 0.02 0.00 0.00 56.10 56.85 2jxb s TRP 65 Cb 0.26 -2.20 -0.04 0.00 -1.15 0.00 0.00 33.47 30.34 2jxb s TRP 65 CO 0.80 0.55 -0.05 -1.58 0.02 0.00 0.00 176.95 176.69 2jxb s TRP 66 N -0.60 2.78 -0.16 -1.98 0.51 -0.62 -4.49 118.94 114.37 2jxb s TRP 66 Ca 0.19 -0.15 -0.01 0.00 -2.12 0.00 0.00 56.10 54.01 2jxb s TRP 66 Cb -0.14 -1.39 -0.00 0.00 -0.81 0.00 0.00 33.47 31.13 2jxb s TRP 66 CO 0.08 0.49 -0.13 0.50 -0.51 0.00 0.00 176.95 177.37 2jxb s ARG 67 N -2.66 3.26 0.29 4.98 3.52 -0.93 -1.90 118.95 125.50 2jxb s ARG 67 Ca 0.25 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 55.15 2jxb s ARG 67 Cb -0.10 -2.69 -0.06 0.00 -1.56 0.00 0.00 34.95 30.54 2jxb s ARG 67 CO 0.16 -0.00 0.08 0.14 -0.81 0.00 0.00 175.30 174.88 2jxb s VAL 68 N 0.88 0.81 0.12 7.11 -7.23 -1.15 0.24 120.40 121.18 2jxb s VAL 68 Ca -0.03 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.23 2jxb s VAL 68 Cb -0.15 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 2jxb s VAL 68 CO -0.01 0.00 -0.22 -0.60 -0.31 0.00 0.00 175.10 173.96 2jxb s ARG 69 N -3.97 1.22 0.53 4.82 3.52 0.10 -2.35 118.95 122.81 2jxb s ARG 69 Ca 0.37 -1.25 0.07 0.00 -0.13 0.00 0.00 55.73 54.79 2jxb s ARG 69 Cb 0.08 -1.51 0.07 0.00 -1.56 0.00 0.00 34.95 32.02 2jxb s ARG 69 CO 0.14 0.35 0.54 0.27 -0.81 0.00 0.00 175.30 175.79 2jxb n ASN 70 N 0.92 2.36 0.17 -2.12 6.94 -0.76 -0.51 115.26 122.26 2jxb n ASN 70 Ca -0.18 -2.63 0.12 0.00 -0.02 0.00 0.00 54.58 51.88 2jxb n ASN 70 Cb 0.54 -0.19 0.60 0.00 -2.36 0.00 0.00 39.78 38.37 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jxb h ALA 71 N 0.45 1.00 -0.12 -2.53 0.00 -1.90 -1.05 119.26 115.11 2jxb h ALA 71 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jxb h ALA 71 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2jxb h ALA 71 CO 0.45 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2jxb n ALA 72 N -1.81 2.52 -1.18 0.00 0.00 -1.26 -4.86 120.51 113.92 2jxb n ALA 72 Ca -0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.09 2jxb n ALA 72 Cb 0.13 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.17 -5.04 -4.84 0.00 3.02 -0.40 -4.97 115.26 102.86 2jxb n ASN 73 Ca 0.10 0.16 -0.37 0.00 -0.03 0.00 0.00 54.58 54.44 2jxb n ASN 73 Cb 0.16 -3.10 -0.06 0.00 -0.61 0.00 0.00 39.78 36.17 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 -2.22 3.88 -0.13 3.52 6.06 -1.26 -4.89 118.95 123.92 2jxb s ARG 74 Ca 0.00 0.36 0.01 0.00 -2.50 0.00 0.00 55.73 53.61 2jxb s ARG 74 Cb 0.00 -3.17 -0.01 0.00 0.06 0.00 0.00 34.95 31.83 2jxb s ARG 74 CO 0.00 0.66 -0.17 0.95 -2.50 0.00 0.00 175.30 174.25 2jxb s THR 75 N -1.15 2.66 0.25 4.11 -4.23 -1.26 -1.82 115.64 114.20 2jxb s THR 75 Ca 0.26 -0.79 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 2jxb s THR 75 Cb -0.16 -2.10 -0.02 0.00 1.34 0.00 0.00 72.50 71.56 2jxb s THR 75 CO 0.14 0.53 0.18 0.61 -0.54 0.00 0.00 174.62 175.55 2jxb n GLY 76 N 3.71 3.27 3.54 3.99 0.00 -0.99 -5.02 105.19 113.69 2jxb n GLY 76 Ca -0.19 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 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 -2.92 2.70 -0.03 1.61 2.02 -1.00 -2.93 117.35 116.80 2jxb s TYR 77 Ca 0.26 -0.17 -0.19 0.00 -0.37 0.00 0.00 57.07 56.60 2jxb s TYR 77 Cb 0.01 -1.47 0.04 0.00 -0.40 0.00 0.00 41.96 40.14 2jxb s TYR 77 CO 0.18 0.36 0.42 0.14 -1.57 0.00 0.00 175.55 175.09 2jxb s VAL 78 N -1.08 0.04 -0.03 0.71 -7.23 -0.80 -2.51 120.40 109.50 2jxb s VAL 78 Ca 0.18 -0.32 -0.30 0.00 -1.81 0.00 0.00 61.98 59.73 2jxb s VAL 78 Cb -0.11 -0.72 -0.05 0.00 0.56 0.00 0.00 36.38 36.06 2jxb s VAL 78 CO 0.10 -0.17 1.47 -2.16 -0.31 0.00 0.00 175.10 174.02 2jxb s PRO 79 N -1.19 4.24 0.61 4.82 0.04 -1.26 -1.59 135.00 140.67 2jxb s PRO 79 Ca -0.12 2.01 0.38 0.00 0.04 0.00 0.00 61.00 63.31 2jxb s PRO 79 Cb -0.04 -3.70 2.05 0.00 0.04 0.00 0.00 34.50 32.86 2jxb s PRO 79 CO 0.06 -0.67 2.15 0.66 0.04 0.00 0.00 177.00 179.24 2jxb h SER 80 N 8.33 0.00 0.34 6.66 4.64 -1.80 0.05 113.55 131.78 2jxb h SER 80 Ca -0.37 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.83 2jxb h SER 80 Cb 1.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2jxb h SER 80 CO 0.93 0.00 -0.49 0.78 -0.87 0.00 0.00 176.83 177.18 2jxb h ASN 81 N 0.00 0.19 -0.18 4.97 4.21 -1.90 -2.66 115.58 120.21 2jxb h ASN 81 Ca 0.00 -0.09 0.00 0.00 1.21 0.00 0.00 56.30 57.42 2jxb h ASN 81 Cb 0.16 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 2jxb h ASN 81 CO 0.00 0.65 0.00 -1.22 -1.29 0.00 0.00 177.43 175.57 2jxb n TYR 82 N -3.96 0.23 -4.32 1.19 4.02 -0.01 -4.91 117.16 109.39 2jxb n TYR 82 Ca -0.02 -0.11 -0.18 0.00 -0.01 0.00 0.00 57.90 57.58 2jxb n TYR 82 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.77 1.63 -0.30 -0.72 0.11 -1.00 -1.03 120.40 117.32 2jxb s VAL 83 Ca 0.34 -2.15 -0.03 0.00 -2.93 0.00 0.00 61.98 57.21 2jxb s VAL 83 Cb 0.20 -1.97 0.18 0.00 -1.53 0.00 0.00 36.38 33.25 2jxb s VAL 83 CO 0.29 -0.59 0.63 -0.70 -3.33 0.00 0.00 175.10 171.40 2jxb s GLU 84 N -3.56 0.56 0.88 1.54 2.12 0.12 -4.78 118.70 115.58 2jxb s GLU 84 Ca 0.20 1.07 -0.11 0.00 0.36 0.00 0.00 54.97 56.50 2jxb s GLU 84 Cb -0.01 0.61 0.12 0.00 0.26 0.00 0.00 34.13 35.12 2jxb s GLU 84 CO 0.06 -0.52 1.11 -0.98 -0.54 0.00 0.00 175.26 174.39 2jxb s ARG 85 N 2.87 1.32 0.00 4.30 1.04 -1.26 -2.89 118.95 124.33 2jxb s ARG 85 Ca 0.15 1.29 0.00 0.00 -1.04 0.00 0.00 55.73 56.13 2jxb s ARG 85 Cb -0.14 -1.78 0.00 0.00 -2.04 0.00 0.00 34.95 30.99 2jxb s ARG 85 CO -0.20 -2.34 0.00 1.17 -0.04 0.00 0.00 175.30 173.89