#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 -1.43 -1.46 -0.41 0.00 -1.26 -4.99 117.12 107.58 2jxb n MET 2 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 57.70 58.51 2jxb n MET 2 Cb 0.00 -4.45 0.00 0.00 0.00 0.00 0.00 33.22 28.78 2jxb n MET 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 2jxb n LYS 3 N -3.20 0.16 -0.91 0.03 5.02 -1.26 -5.15 118.16 112.85 2jxb n LYS 3 Ca -0.10 -0.34 0.12 0.00 -2.02 0.00 0.00 58.31 55.97 2jxb n LYS 3 Cb 0.59 0.41 -0.03 0.00 -0.02 0.00 0.00 35.03 35.98 2jxb n LYS 3 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jxb n GLU 4 N -0.08 -1.84 -1.19 1.97 2.13 -1.26 -4.82 120.64 115.54 2jxb n GLU 4 Ca -0.01 1.21 -0.31 0.00 0.66 0.00 0.00 57.16 58.71 2jxb n GLU 4 Cb 0.09 -2.24 0.11 0.00 0.27 0.00 0.00 31.44 29.66 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 -1.49 2.00 0.96 5.31 0.52 -1.26 -5.03 118.95 119.96 2jxb s ARG 5 Ca 0.00 1.16 -0.12 0.00 -0.52 0.00 0.00 55.73 56.25 2jxb s ARG 5 Cb 0.00 -1.87 0.17 0.00 0.52 0.00 0.00 34.95 33.77 2jxb s ARG 5 CO 0.00 -1.82 1.09 -1.25 0.02 0.00 0.00 175.30 173.34 2jxb s PRO 6 N -4.88 0.72 0.98 3.54 0.04 -1.26 -5.04 135.00 129.09 2jxb s PRO 6 Ca 0.62 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2jxb s PRO 6 Cb -0.18 -1.76 0.18 0.00 0.04 0.00 0.00 34.50 32.78 2jxb s PRO 6 CO 0.56 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.88 2jxb s PRO 7 N -4.95 0.60 1.15 0.56 0.04 -1.26 -5.05 135.00 126.10 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 0.26 0.00 0.04 0.00 0.00 34.50 32.87 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 -0.78 0.45 0.56 0.04 -1.26 -4.96 135.00 124.10 2jxb s PRO 8 Ca 0.65 0.09 -0.24 0.00 0.04 0.00 0.00 61.00 61.53 2jxb s PRO 8 Cb -0.18 -1.63 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 2jxb s PRO 8 CO 0.57 -3.45 1.20 1.33 0.04 0.00 0.00 177.00 176.70 2jxb n VAL 9 N -4.60 2.76 -1.39 -0.36 0.24 -1.26 -4.81 118.33 108.91 2jxb n VAL 9 Ca 0.11 -0.50 -0.39 0.00 -2.04 0.00 0.00 64.34 61.52 2jxb n VAL 9 Cb 0.59 -1.46 -0.06 0.00 -1.47 0.00 0.00 33.84 31.44 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 -3.11 7.34 -0.04 -1.26 -4.53 135.00 134.73 2jxb n PRO 10 Ca 0.08 -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 9.62 -5.24 -4.74 3.54 6.94 -1.26 -4.83 115.26 119.28 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 -1.67 4.40 -0.37 -0.53 0.04 -1.26 -4.95 135.00 130.65 2jxb s PRO 12 Ca 0.21 2.05 0.12 0.00 0.04 0.00 0.00 61.00 63.43 2jxb s PRO 12 Cb -0.02 -3.18 0.37 0.00 0.04 0.00 0.00 34.50 31.70 2jxb s PRO 12 CO 0.48 -0.21 0.78 -3.47 0.04 0.00 0.00 177.00 174.61 2jxb n ASP 13 N 2.31 1.14 -0.01 6.66 2.03 -1.26 -4.85 116.55 122.57 2jxb n ASP 13 Ca 0.05 -3.01 0.08 0.00 0.52 0.00 0.00 54.79 52.42 2jxb n ASP 13 Cb 0.43 -0.60 -0.12 0.00 -0.72 0.00 0.00 41.12 40.11 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 0.20 0.00 -3.96 -0.67 0.18 -1.26 -4.89 117.16 106.75 2jxb n TYR 14 Ca 0.23 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.67 2jxb n TYR 14 Cb 0.67 -0.33 -0.14 0.00 -0.38 0.00 0.00 39.34 39.16 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 -3.68 4.47 0.00 9.48 0.02 -1.26 -4.63 114.94 119.34 2jxb s ASN 15 Ca -0.05 -1.06 0.00 0.00 -1.02 0.00 0.00 52.86 50.73 2jxb s ASN 15 Cb 0.10 -1.66 0.00 0.00 0.02 0.00 0.00 41.25 39.71 2jxb s ASN 15 CO 0.64 -0.17 0.00 -0.24 0.02 0.00 0.00 177.10 177.35 2jxb n SER 16 N 4.62 0.00 -1.23 -1.22 2.88 -1.26 -4.97 113.62 112.44 2jxb n SER 16 Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 2jxb n SER 16 Cb 0.45 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 2jxb n SER 16 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jxb n LEU 17 N -0.20 0.27 0.00 2.46 -0.00 -1.26 -4.97 117.00 113.29 2jxb n LEU 17 Ca 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 56.01 54.13 2jxb n LEU 17 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jxb n LEU 17 CO 0.00 0.81 0.00 0.29 -0.00 0.00 0.00 177.39 178.49 2jxb n LYS 18 N 0.29 0.00 -3.07 1.47 4.76 -1.26 -5.07 118.16 115.27 2jxb n LYS 18 Ca -0.05 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.22 2jxb n LYS 18 Cb 0.95 -0.29 0.02 0.00 -1.84 0.00 0.00 35.03 33.87 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 -2.25 -2.22 0.00 1.97 5.02 -1.26 -4.88 118.16 114.54 2jxb n LYS 19 Ca 0.00 1.88 0.00 0.00 -2.02 0.00 0.00 58.31 58.17 2jxb n LYS 19 Cb 0.00 -4.13 0.00 0.00 -0.02 0.00 0.00 35.03 30.88 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 -0.02 0.70 0.12 0.72 0.00 -1.26 -5.12 105.19 100.33 2jxb n GLY 20 Ca 0.03 -1.75 -0.01 0.00 0.00 0.00 0.00 46.02 44.29 2jxb n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxb n SER 21 N 0.00 1.96 -4.53 1.61 2.88 -1.26 -5.04 113.62 109.25 2jxb n SER 21 Ca 0.00 -1.07 -0.29 0.00 -1.33 0.00 0.00 58.87 56.18 2jxb n SER 21 Cb 0.00 0.01 0.20 0.00 -0.75 0.00 0.00 64.21 63.67 2jxb n SER 21 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2jxb s LEU 22 N 0.00 1.28 0.00 2.46 1.02 -1.26 -5.08 118.68 117.11 2jxb s LEU 22 Ca 0.00 1.12 -0.00 0.00 0.02 0.00 0.00 54.13 55.27 2jxb s LEU 22 Cb -0.00 -3.18 0.00 0.00 0.02 0.00 0.00 46.19 43.03 2jxb s LEU 22 CO 0.00 -3.47 0.11 1.33 0.02 0.00 0.00 176.35 174.34 2jxb n VAL 23 N -4.39 0.00 -1.80 -1.59 0.24 -1.26 -5.15 118.33 104.38 2jxb n VAL 23 Ca 0.06 -0.42 -0.37 0.00 -2.04 0.00 0.00 64.34 61.57 2jxb n VAL 23 Cb 0.57 0.26 0.06 0.00 -1.47 0.00 0.00 33.84 33.26 2jxb n VAL 23 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2jxb s LYS 24 N -2.19 2.65 0.00 7.34 3.01 -1.26 -5.01 119.74 124.28 2jxb s LYS 24 Ca 0.07 2.02 -0.00 0.00 -1.01 0.00 0.00 55.97 57.05 2jxb s LYS 24 Cb -0.00 -1.87 0.00 0.00 -1.01 0.00 0.00 37.83 34.95 2jxb s LYS 24 CO 0.05 -1.51 0.00 -1.71 0.51 0.00 0.00 175.35 172.69 2jxb n ASN 25 N -1.82 -0.01 -4.31 2.83 2.85 -1.26 -5.16 115.26 108.38 2jxb n ASN 25 Ca 0.15 -1.00 -0.33 0.00 -0.11 0.00 0.00 54.58 53.29 2jxb n ASN 25 Cb 0.48 0.01 0.16 0.00 1.24 0.00 0.00 39.78 41.67 2jxb n ASN 25 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jxb n LEU 26 N 0.00 -1.77 -1.36 1.20 -0.00 -1.26 -4.92 117.00 108.89 2jxb n LEU 26 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 2jxb n LEU 26 Cb 0.00 -1.02 0.23 0.00 -0.00 0.00 0.00 43.42 42.63 2jxb n LEU 26 CO 0.00 -3.25 0.83 0.00 -0.00 0.00 0.00 177.39 174.96 2jxb n HIS 27 N -4.19 1.51 -3.49 1.47 1.44 -1.26 -4.94 115.22 105.76 2jxb n HIS 27 Ca 0.02 -1.41 -0.42 0.00 -2.01 0.00 0.00 57.72 53.91 2jxb n HIS 27 Cb 0.60 -0.54 -0.10 0.00 0.12 0.00 0.00 29.99 30.07 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 -3.12 3.24 0.45 -1.40 -1.94 -1.26 -5.07 119.30 110.20 2jxb s MET 28 Ca 0.47 -0.83 0.04 0.00 -1.71 0.00 0.00 55.69 53.66 2jxb s MET 28 Cb 0.41 -3.89 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 2jxb s MET 28 CO 0.05 -0.59 0.02 0.99 -0.01 0.00 0.00 175.02 175.48 2jxb s THR 29 N 1.70 1.39 0.00 2.05 2.01 -1.26 -5.17 115.64 116.37 2jxb s THR 29 Ca 0.06 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.06 2jxb s THR 29 Cb -0.18 -2.52 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2jxb s THR 29 CO 0.10 0.00 0.00 1.21 -0.69 0.00 0.00 174.62 175.24 2jxb n GLU 30 N -1.08 0.00 -3.27 4.92 2.13 -1.26 -5.12 120.64 116.96 2jxb n GLU 30 Ca -0.12 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.45 2jxb n GLU 30 Cb 0.67 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.30 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 0.49 -4.34 5.31 4.71 -1.26 -5.07 120.64 120.47 2jxb n GLU 31 Ca 0.00 -3.19 -0.25 0.00 -0.01 0.00 0.00 57.16 53.71 2jxb n GLU 31 Cb 0.00 -1.41 -0.09 0.00 -1.01 0.00 0.00 31.44 28.93 2jxb n GLU 31 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2jxb s VAL 32 N -0.64 3.04 -0.01 2.62 1.01 -1.26 -5.03 120.40 120.12 2jxb s VAL 32 Ca 0.34 -1.93 -0.00 0.00 0.00 0.00 0.00 61.98 60.39 2jxb s VAL 32 Cb 0.11 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2jxb s VAL 32 CO -0.15 -0.25 0.02 -0.63 0.00 0.00 0.00 175.10 174.09 2jxb s ILE 33 N -2.06 -0.02 0.47 2.22 1.01 -1.26 -0.08 121.20 121.48 2jxb s ILE 33 Ca 0.28 0.07 0.06 0.00 0.00 0.00 0.00 60.65 61.05 2jxb s ILE 33 Cb -0.07 -0.05 -0.02 0.00 0.01 0.00 0.00 42.46 42.34 2jxb s ILE 33 CO 0.16 0.03 0.22 0.54 0.00 0.00 0.00 174.94 175.89 2jxb s VAL 34 N 0.35 1.91 -0.06 2.92 0.11 -0.75 -4.42 120.40 120.46 2jxb s VAL 34 Ca -0.03 -1.68 0.00 0.00 -2.93 0.00 0.00 61.98 57.35 2jxb s VAL 34 Cb -0.04 -2.59 0.02 0.00 -1.53 0.00 0.00 36.38 32.24 2jxb s VAL 34 CO -0.01 0.00 -0.04 -0.63 -3.33 0.00 0.00 175.10 171.09 2jxb s ILE 35 N -2.70 0.58 -0.43 7.04 -1.09 -0.74 -2.57 121.20 121.28 2jxb s ILE 35 Ca 0.33 -0.11 -0.28 0.00 -2.23 0.00 0.00 60.65 58.36 2jxb s ILE 35 Cb 0.01 -0.63 -0.01 0.00 -1.58 0.00 0.00 42.46 40.26 2jxb s ILE 35 CO 0.19 0.25 1.71 0.00 -1.23 0.00 0.00 174.94 175.86 2jxb s ALA 36 N 1.19 2.73 0.45 9.38 0.00 0.81 0.14 121.76 136.46 2jxb s ALA 36 Ca -0.07 -0.12 0.22 0.00 0.00 0.00 0.00 51.96 52.00 2jxb s ALA 36 Cb -0.14 -4.08 1.20 0.00 0.00 0.00 0.00 23.12 20.11 2jxb s ALA 36 CO -0.01 -2.91 1.84 0.87 0.00 0.00 0.00 175.76 175.54 2jxb h LYS 37 N 12.81 0.28 0.00 0.00 1.57 -1.36 -2.57 116.57 127.30 2jxb h LYS 37 Ca -0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2jxb h LYS 37 Cb 1.15 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2jxb h LYS 37 CO 1.10 0.19 0.00 0.91 -0.57 0.00 0.00 179.45 181.08 2jxb n TRP 38 N -4.47 -0.55 -3.64 -1.35 7.02 -1.22 -4.66 117.44 108.58 2jxb n TRP 38 Ca 0.21 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.30 2jxb n TRP 38 Cb 0.84 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.61 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 -0.91 5.61 -0.07 -0.99 -4.77 -1.26 -3.46 116.67 110.82 2jxb s ASP 39 Ca 0.00 -0.53 0.05 0.00 -3.30 0.00 0.00 52.55 48.77 2jxb s ASP 39 Cb 0.00 -2.02 -0.00 0.00 -1.09 0.00 0.00 42.92 39.81 2jxb s ASP 39 CO 0.00 -0.20 -0.22 -0.47 0.70 0.00 0.00 175.17 174.97 2jxb s TYR 40 N 1.62 2.26 0.03 2.11 5.04 0.03 -4.94 117.35 123.51 2jxb s TYR 40 Ca 0.05 -0.76 -0.24 0.00 -2.44 0.00 0.00 57.07 53.68 2jxb s TYR 40 Cb -0.17 -1.51 -0.06 0.00 0.35 0.00 0.00 41.96 40.58 2jxb s TYR 40 CO 0.07 -0.27 0.71 0.99 -1.34 0.00 0.00 175.55 175.71 2jxb s THR 41 N 0.08 4.77 0.82 4.34 2.01 -1.26 -1.59 115.64 124.81 2jxb s THR 41 Ca -0.09 1.51 -0.14 0.00 0.31 0.00 0.00 61.69 63.28 2jxb s THR 41 Cb -0.15 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.34 2jxb s THR 41 CO 0.05 0.39 0.83 0.00 -0.69 0.00 0.00 174.62 175.19 2jxb n ALA 42 N 2.73 -1.04 -0.01 7.40 0.00 -1.26 -4.92 120.51 123.41 2jxb n ALA 42 Ca -0.04 -0.37 -0.01 0.00 0.00 0.00 0.00 53.44 53.03 2jxb n ALA 42 Cb 0.50 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.89 2jxb n ALA 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jxb n GLN 43 N -2.18 2.31 -4.02 0.00 0.00 -1.26 -4.99 117.38 107.24 2jxb n GLN 43 Ca 0.11 -0.01 -0.08 0.00 0.00 0.00 0.00 57.00 57.02 2jxb n GLN 43 Cb 0.51 -1.10 -0.09 0.00 0.00 0.00 0.00 30.24 29.55 2jxb n GLN 43 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2jxb s GLN 44 N -2.16 0.69 0.57 2.61 -0.21 -1.26 -5.02 119.66 114.88 2jxb s GLN 44 Ca -0.02 -1.15 0.28 0.00 0.02 0.00 0.00 55.36 54.49 2jxb s GLN 44 Cb 0.02 0.25 1.52 0.00 1.00 0.00 0.00 33.01 35.80 2jxb s GLN 44 CO 0.17 -0.16 2.00 -0.44 -2.12 0.00 0.00 175.29 174.75 2jxb h ASP 45 N 3.03 0.00 0.71 5.90 3.32 -2.03 0.20 116.42 127.55 2jxb h ASP 45 Ca -0.34 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.54 2jxb h ASP 45 Cb 1.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 2jxb h ASP 45 CO 0.63 0.00 -0.80 1.56 -1.72 0.00 0.00 179.24 178.91 2jxb h GLN 46 N 0.00 0.06 -7.36 3.56 7.50 -1.96 -3.46 115.11 113.46 2jxb h GLN 46 Ca 0.17 -0.07 -0.46 0.00 0.50 0.00 0.00 58.65 58.79 2jxb h GLN 46 Cb 0.85 0.02 0.08 0.00 0.05 0.00 0.00 27.48 28.48 2jxb h GLN 46 CO -0.00 0.83 0.27 -1.21 -1.50 0.00 0.00 178.83 177.22 2jxb s GLU 47 N -3.24 2.22 0.12 1.46 0.41 0.70 -1.99 118.70 118.38 2jxb s GLU 47 Ca -0.01 -0.14 0.05 0.00 -0.41 0.00 0.00 54.97 54.46 2jxb s GLU 47 Cb 0.11 -2.13 -0.04 0.00 -1.78 0.00 0.00 34.13 30.30 2jxb s GLU 47 CO 0.80 -1.27 -0.12 -1.17 -0.49 0.00 0.00 175.26 173.01 2jxb s LEU 48 N -5.30 2.42 -0.24 1.80 0.20 0.90 -4.42 118.68 114.03 2jxb s LEU 48 Ca 0.60 -0.83 -0.16 0.00 0.69 0.00 0.00 54.13 54.43 2jxb s LEU 48 Cb -0.11 -0.45 -0.04 0.00 -0.43 0.00 0.00 46.19 45.17 2jxb s LEU 48 CO 0.46 -0.20 0.41 -1.81 -0.29 0.00 0.00 176.35 174.92 2jxb s ASP 49 N -2.53 6.36 0.10 3.68 1.01 -1.26 -4.10 116.67 119.92 2jxb s ASP 49 Ca 0.09 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.81 2jxb s ASP 49 Cb -0.03 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 2jxb s ASP 49 CO 0.02 -0.17 0.03 0.27 0.21 0.00 0.00 175.17 175.53 2jxb s ILE 50 N 1.85 4.18 0.34 0.77 -4.36 -0.62 -4.94 121.20 118.42 2jxb s ILE 50 Ca 0.18 -0.96 0.09 0.00 -0.26 0.00 0.00 60.65 59.69 2jxb s ILE 50 Cb -0.15 -3.02 -0.05 0.00 1.25 0.00 0.00 42.46 40.49 2jxb s ILE 50 CO 0.09 0.09 0.05 -0.75 0.24 0.00 0.00 174.94 174.66 2jxb s LYS 51 N -2.44 2.17 0.27 0.37 2.20 -1.26 -0.79 119.74 120.26 2jxb s LYS 51 Ca 0.27 -1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 53.90 2jxb s LYS 51 Cb -0.12 -2.00 -0.10 0.00 -1.51 0.00 0.00 37.83 34.10 2jxb s LYS 51 CO 0.20 0.13 1.46 -1.59 -0.36 0.00 0.00 175.35 175.19 2jxb s LYS 52 N -3.75 4.24 -1.78 4.03 -2.85 -1.22 -1.93 119.74 116.48 2jxb s LYS 52 Ca 0.36 2.35 0.00 0.00 -1.00 0.00 0.00 55.97 57.68 2jxb s LYS 52 Cb -0.01 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 2jxb s LYS 52 CO 0.20 -0.44 0.00 -1.71 0.10 0.00 0.00 175.35 173.50 2jxb n ASN 53 N 2.12 -5.09 -4.72 0.03 5.15 -0.97 -4.96 115.26 106.82 2jxb n ASN 53 Ca 0.06 0.36 -0.39 0.00 -0.60 0.00 0.00 54.58 54.01 2jxb n ASN 53 Cb 0.40 -4.12 -0.05 0.00 -0.53 0.00 0.00 39.78 35.47 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 -3.68 4.39 0.00 1.20 2.56 -0.81 -4.86 118.70 117.51 2jxb s GLU 54 Ca 0.00 0.73 0.02 0.00 0.00 0.00 0.00 54.97 55.72 2jxb s GLU 54 Cb 0.00 -3.43 -0.04 0.00 2.00 0.00 0.00 34.13 32.66 2jxb s GLU 54 CO 0.00 0.13 -0.03 -0.98 -0.56 0.00 0.00 175.26 173.83 2jxb s ARG 55 N 0.61 2.68 0.21 4.30 1.70 -1.26 -0.13 118.95 127.06 2jxb s ARG 55 Ca 0.33 -0.66 -0.06 0.00 -0.47 0.00 0.00 55.73 54.86 2jxb s ARG 55 Cb -0.17 -2.60 -0.02 0.00 -0.57 0.00 0.00 34.95 31.59 2jxb s ARG 55 CO 0.16 0.61 0.27 -0.51 -1.08 0.00 0.00 175.30 174.75 2jxb s LEU 56 N -1.52 0.87 -0.37 -1.89 1.02 -1.06 -4.85 118.68 110.88 2jxb s LEU 56 Ca 0.19 -1.15 -0.26 0.00 0.02 0.00 0.00 54.13 52.93 2jxb s LEU 56 Cb -0.11 0.97 0.01 0.00 0.02 0.00 0.00 46.19 47.08 2jxb s LEU 56 CO 0.09 -0.95 0.91 0.26 0.02 0.00 0.00 176.35 176.69 2jxb s TRP 57 N -4.08 3.09 -0.10 0.29 0.51 -0.23 -1.82 118.94 116.60 2jxb s TRP 57 Ca 0.30 0.76 -0.29 0.00 -2.12 0.00 0.00 56.10 54.74 2jxb s TRP 57 Cb 0.04 -3.61 -0.05 0.00 -0.81 0.00 0.00 33.47 29.03 2jxb s TRP 57 CO 0.09 -0.81 1.70 -1.17 -0.51 0.00 0.00 176.95 176.25 2jxb s LEU 58 N 3.43 4.17 0.00 2.99 0.20 0.89 -1.50 118.68 128.86 2jxb s LEU 58 Ca 0.37 2.09 0.00 0.00 0.69 0.00 0.00 54.13 57.29 2jxb s LEU 58 Cb -0.12 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.11 2jxb s LEU 58 CO 0.18 -1.08 0.00 0.18 -0.29 0.00 0.00 176.35 175.34 2jxb n LEU 59 N 7.78 0.23 -3.70 -0.68 4.77 0.12 -4.33 117.00 121.20 2jxb n LEU 59 Ca 0.19 0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 2jxb n LEU 59 Cb 0.43 -0.36 -0.17 0.00 -2.33 0.00 0.00 43.42 41.00 2jxb n LEU 59 CO 0.64 -0.36 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.36 2jxb s ASP 60 N -2.94 2.53 -0.67 -1.43 2.15 -1.11 -4.95 116.67 110.24 2jxb s ASP 60 Ca 0.00 -0.64 0.05 0.00 0.43 0.00 0.00 52.55 52.39 2jxb s ASP 60 Cb 0.00 -0.46 0.19 0.00 -0.30 0.00 0.00 42.92 42.35 2jxb s ASP 60 CO 0.00 -0.30 0.54 -0.90 -0.17 0.00 0.00 175.17 174.34 2jxb n ASP 61 N 5.14 2.93 -0.06 -0.34 5.75 -1.26 -2.18 116.55 126.52 2jxb n ASP 61 Ca -0.08 -3.21 -0.14 0.00 -0.01 0.00 0.00 54.79 51.36 2jxb n ASP 61 Cb 0.48 -0.73 -0.05 0.00 -1.03 0.00 0.00 41.12 39.80 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 1.75 0.91 -4.44 -1.12 7.64 -1.26 -5.03 113.62 112.08 2jxb n SER 62 Ca 0.23 0.16 -0.27 0.00 1.01 0.00 0.00 58.87 59.99 2jxb n SER 62 Cb 0.37 -0.38 0.14 0.00 -1.01 0.00 0.00 64.21 63.33 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 0.34 1.43 1.02 -1.26 -4.94 119.74 115.32 2jxb s LYS 63 Ca -0.18 -0.62 0.13 0.00 0.02 0.00 0.00 55.97 55.32 2jxb s LYS 63 Cb 0.07 -2.06 1.01 0.00 -0.52 0.00 0.00 37.83 36.33 2jxb s LYS 63 CO 0.23 -1.92 1.71 0.00 -0.92 0.00 0.00 175.35 174.45 2jxb h THR 64 N -1.12 0.44 -2.89 2.17 1.03 -1.93 -3.39 112.91 107.23 2jxb h THR 64 Ca -0.42 -0.15 -0.63 0.00 -0.01 0.00 0.00 66.41 65.20 2jxb h THR 64 Cb 1.26 -0.05 -0.06 0.00 -1.07 0.00 0.00 68.15 68.22 2jxb h THR 64 CO 0.42 0.08 -0.32 0.26 -0.01 0.00 0.00 175.52 175.95 2jxb s TRP 65 N -5.67 3.66 0.33 0.00 0.52 -1.26 -2.42 118.94 114.09 2jxb s TRP 65 Ca -0.10 0.78 0.08 0.00 0.02 0.00 0.00 56.10 56.88 2jxb s TRP 65 Cb 0.28 -2.16 -0.03 0.00 -1.15 0.00 0.00 33.47 30.41 2jxb s TRP 65 CO 0.80 0.65 0.21 -1.58 0.02 0.00 0.00 176.95 177.04 2jxb s TRP 66 N -0.93 2.81 -0.09 -1.98 0.51 -0.27 -4.51 118.94 114.48 2jxb s TRP 66 Ca 0.20 -0.33 0.01 0.00 -2.12 0.00 0.00 56.10 53.85 2jxb s TRP 66 Cb -0.15 -1.70 0.02 0.00 -0.81 0.00 0.00 33.47 30.84 2jxb s TRP 66 CO 0.09 0.28 -0.10 0.50 -0.51 0.00 0.00 176.95 177.21 2jxb s ARG 67 N -3.91 1.61 0.30 4.98 3.52 -0.92 -1.64 118.95 122.89 2jxb s ARG 67 Ca 0.39 -0.34 0.03 0.00 -0.13 0.00 0.00 55.73 55.68 2jxb s ARG 67 Cb -0.04 -1.47 -0.04 0.00 -1.56 0.00 0.00 34.95 31.84 2jxb s ARG 67 CO 0.24 -0.10 0.16 0.14 -0.81 0.00 0.00 175.30 174.93 2jxb s VAL 68 N 1.11 0.30 -0.01 7.11 -7.23 -1.21 0.13 120.40 120.61 2jxb s VAL 68 Ca -0.06 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.15 2jxb s VAL 68 Cb -0.14 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2jxb s VAL 68 CO -0.02 0.00 -0.15 -0.60 -0.31 0.00 0.00 175.10 174.02 2jxb s ARG 69 N -3.83 1.21 0.54 4.82 3.52 -0.56 -2.83 118.95 121.82 2jxb s ARG 69 Ca 0.36 -0.54 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 2jxb s ARG 69 Cb 0.05 -1.17 0.11 0.00 -1.56 0.00 0.00 34.95 32.38 2jxb s ARG 69 CO 0.17 0.32 0.74 0.27 -0.81 0.00 0.00 175.30 176.00 2jxb n ASN 70 N 2.69 0.87 0.05 -2.12 6.94 -0.77 -1.07 115.26 121.86 2jxb n ASN 70 Ca -0.14 -1.76 0.09 0.00 -0.02 0.00 0.00 54.58 52.74 2jxb n ASN 70 Cb 0.55 -0.49 0.39 0.00 -2.36 0.00 0.00 39.78 37.86 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jxb n ALA 71 N -3.01 1.68 1.03 -2.53 0.00 -1.26 -2.12 120.51 114.29 2jxb n ALA 71 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.36 2jxb n ALA 71 Cb 0.42 -1.30 0.13 0.00 0.00 0.00 0.00 19.45 18.70 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 -1.61 2.51 -1.23 0.00 0.00 -1.26 -4.86 120.51 114.05 2jxb n ALA 72 Ca 0.03 -0.52 -0.08 0.00 0.00 0.00 0.00 53.44 52.88 2jxb n ALA 72 Cb 0.20 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 0.32 -5.13 -4.84 0.00 4.13 -0.90 -4.97 115.26 103.87 2jxb n ASN 73 Ca 0.10 0.19 -0.36 0.00 1.68 0.00 0.00 54.58 56.19 2jxb n ASN 73 Cb 0.27 -3.32 -0.06 0.00 -1.54 0.00 0.00 39.78 35.13 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 -2.43 3.98 -0.07 3.52 6.06 -1.26 -4.91 118.95 123.85 2jxb s ARG 74 Ca 0.00 0.48 0.05 0.00 -2.50 0.00 0.00 55.73 53.76 2jxb s ARG 74 Cb 0.00 -3.06 -0.00 0.00 0.06 0.00 0.00 34.95 31.95 2jxb s ARG 74 CO 0.00 0.56 -0.21 0.95 -2.50 0.00 0.00 175.30 174.10 2jxb s THR 75 N -1.31 1.80 0.00 4.11 -4.23 -1.26 -1.84 115.64 112.90 2jxb s THR 75 Ca 0.33 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2jxb s THR 75 Cb -0.16 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2jxb s THR 75 CO 0.18 0.50 0.00 0.61 -0.54 0.00 0.00 174.62 175.37 2jxb n GLY 76 N 3.29 3.11 3.57 3.99 0.00 -1.13 -4.97 105.19 113.06 2jxb n GLY 76 Ca -0.19 -1.36 -0.26 0.00 0.00 0.00 0.00 46.02 44.21 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 -5.17 2.63 -0.10 1.61 2.02 -0.84 -3.29 117.35 114.21 2jxb s TYR 77 Ca 0.00 -0.23 -0.25 0.00 -0.37 0.00 0.00 57.07 56.23 2jxb s TYR 77 Cb 0.00 -1.26 0.06 0.00 -0.40 0.00 0.00 41.96 40.35 2jxb s TYR 77 CO 0.00 0.53 0.59 0.14 -1.57 0.00 0.00 175.55 175.24 2jxb s VAL 78 N -1.81 0.01 0.03 0.71 -7.23 -0.65 -0.07 120.40 111.39 2jxb s VAL 78 Ca 0.26 -0.09 -0.30 0.00 -1.81 0.00 0.00 61.98 60.04 2jxb s VAL 78 Cb -0.08 -0.88 -0.06 0.00 0.56 0.00 0.00 36.38 35.91 2jxb s VAL 78 CO 0.16 -0.05 1.42 -2.16 -0.31 0.00 0.00 175.10 174.16 2jxb s PRO 79 N -0.71 4.29 0.62 4.82 0.04 -1.26 -1.11 135.00 141.69 2jxb s PRO 79 Ca -0.08 2.02 0.39 0.00 0.04 0.00 0.00 61.00 63.38 2jxb s PRO 79 Cb -0.02 -3.50 2.12 0.00 0.04 0.00 0.00 34.50 33.14 2jxb s PRO 79 CO 0.06 -0.55 2.19 0.66 0.04 0.00 0.00 177.00 179.40 2jxb h SER 80 N 7.64 0.00 0.11 6.66 4.64 -1.79 -0.27 113.55 130.53 2jxb h SER 80 Ca -0.39 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 2jxb h SER 80 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2jxb h SER 80 CO 0.89 0.00 -0.37 0.78 -0.87 0.00 0.00 176.83 177.27 2jxb h ASN 81 N 0.00 0.37 -0.26 4.97 4.21 -1.90 -2.69 115.58 120.29 2jxb h ASN 81 Ca 0.00 -0.15 0.00 0.00 1.21 0.00 0.00 56.30 57.36 2jxb h ASN 81 Cb 0.14 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2jxb h ASN 81 CO 0.00 0.72 0.00 -1.22 -1.29 0.00 0.00 177.43 175.64 2jxb n TYR 82 N -4.05 0.32 -4.56 1.19 4.02 -0.14 -4.91 117.16 109.02 2jxb n TYR 82 Ca -0.01 -0.16 -0.26 0.00 -0.01 0.00 0.00 57.90 57.45 2jxb n TYR 82 Cb 0.47 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.65 2jxb n TYR 82 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2jxb s VAL 83 N -1.68 1.82 -0.30 -0.72 1.01 -1.01 -1.02 120.40 118.50 2jxb s VAL 83 Ca 0.35 -1.38 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 2jxb s VAL 83 Cb 0.21 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 35.11 2jxb s VAL 83 CO 0.30 0.15 0.67 -0.70 0.00 0.00 0.00 175.10 175.53 2jxb s GLU 84 N -1.48 0.58 0.89 2.72 -6.30 0.12 -4.77 118.70 110.47 2jxb s GLU 84 Ca 0.09 1.39 -0.11 0.00 -2.50 0.00 0.00 54.97 53.84 2jxb s GLU 84 Cb -0.09 0.75 0.13 0.00 0.00 0.00 0.00 34.13 34.92 2jxb s GLU 84 CO 0.03 -0.19 1.12 -0.98 0.02 0.00 0.00 175.26 175.26 2jxb s ARG 85 N 2.69 1.25 0.00 4.30 1.04 -1.26 -1.80 118.95 125.17 2jxb s ARG 85 Ca -0.06 1.32 0.00 0.00 -1.04 0.00 0.00 55.73 55.95 2jxb s ARG 85 Cb -0.11 -1.77 0.00 0.00 -2.04 0.00 0.00 34.95 31.03 2jxb s ARG 85 CO -0.19 -2.40 0.00 1.17 -0.04 0.00 0.00 175.30 173.84