#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 1.48 -3.99 -1.40 1.56 -1.26 -5.12 117.12 108.39 2jxb n MET 2 Ca 0.00 -2.29 -0.30 0.00 -0.27 0.00 0.00 57.70 54.85 2jxb n MET 2 Cb 0.00 -0.51 -0.05 0.00 2.15 0.00 0.00 33.22 34.81 2jxb n MET 2 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2jxb s LYS 3 N -1.61 3.17 0.89 2.12 -2.85 -1.26 -5.00 119.74 115.20 2jxb s LYS 3 Ca 0.18 -0.59 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2jxb s LYS 3 Cb 0.40 -2.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.29 2jxb s LYS 3 CO -0.08 0.57 0.00 0.39 0.10 0.00 0.00 175.35 176.33 2jxb n GLU 4 N 0.21 -1.62 -1.42 1.78 -0.58 -1.26 -4.82 120.64 112.93 2jxb n GLU 4 Ca -0.07 1.07 -0.31 0.00 -0.42 0.00 0.00 57.16 57.43 2jxb n GLU 4 Cb 0.52 -1.98 0.07 0.00 -0.57 0.00 0.00 31.44 29.49 2jxb n GLU 4 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2jxb s ARG 5 N -1.30 2.50 0.95 3.49 0.52 -1.26 -5.04 118.95 118.82 2jxb s ARG 5 Ca 0.00 1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 56.11 2jxb s ARG 5 Cb 0.00 -1.94 0.16 0.00 0.52 0.00 0.00 34.95 33.70 2jxb s ARG 5 CO 0.00 -1.43 1.09 -1.25 0.02 0.00 0.00 175.30 173.74 2jxb s PRO 6 N -4.99 0.78 0.97 3.54 0.04 -1.26 -5.04 135.00 129.05 2jxb s PRO 6 Ca 0.60 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 62.16 2jxb s PRO 6 Cb -0.16 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.79 2jxb s PRO 6 CO 0.55 -2.52 1.09 -1.25 0.04 0.00 0.00 177.00 174.92 2jxb s PRO 7 N -4.95 0.68 1.24 0.56 0.04 -1.26 -5.05 135.00 126.26 2jxb s PRO 7 Ca 0.64 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.09 2jxb s PRO 7 Cb -0.18 -1.76 0.31 0.00 0.04 0.00 0.00 34.50 32.90 2jxb s PRO 7 CO 0.57 -2.59 1.11 -1.25 0.04 0.00 0.00 177.00 174.89 2jxb s PRO 8 N -4.96 -1.55 0.50 0.56 0.04 -1.26 -4.96 135.00 123.38 2jxb s PRO 8 Ca 0.65 -0.18 -0.22 0.00 0.04 0.00 0.00 61.00 61.29 2jxb s PRO 8 Cb -0.18 -1.57 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 2jxb s PRO 8 CO 0.57 -3.91 1.07 1.33 0.04 0.00 0.00 177.00 176.10 2jxb n VAL 9 N -4.88 3.07 -1.39 -0.36 0.24 -1.26 -4.80 118.33 108.95 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 0.60 -1.28 -0.06 0.00 -1.47 0.00 0.00 33.84 31.63 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 -0.43 1.45 -3.06 7.34 -0.04 -1.26 -4.53 135.00 134.47 2jxb n PRO 10 Ca 0.11 -1.98 -0.20 0.00 -0.04 0.00 0.00 63.50 61.38 2jxb n PRO 10 Cb 0.43 -3.14 0.02 0.00 -0.04 0.00 0.00 33.50 30.77 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 9.61 -5.19 -4.75 3.54 6.94 -1.26 -4.83 115.26 119.32 2jxb n ASN 11 Ca 0.48 0.06 -0.41 0.00 -0.02 0.00 0.00 54.58 54.69 2jxb n ASN 11 Cb 0.42 -1.38 -0.03 0.00 -2.36 0.00 0.00 39.78 36.43 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 -1.61 4.42 -0.41 -0.53 0.04 -1.26 -4.95 135.00 130.70 2jxb s PRO 12 Ca 0.20 2.05 0.11 0.00 0.04 0.00 0.00 61.00 63.40 2jxb s PRO 12 Cb -0.02 -3.16 0.39 0.00 0.04 0.00 0.00 34.50 31.75 2jxb s PRO 12 CO 0.44 -0.16 0.90 -3.47 0.04 0.00 0.00 177.00 174.76 2jxb n ASP 13 N 1.92 2.41 -0.01 6.66 -0.08 -1.26 -4.81 116.55 121.39 2jxb n ASP 13 Ca 0.03 -3.18 0.09 0.00 -1.51 0.00 0.00 54.79 50.22 2jxb n ASP 13 Cb 0.43 -0.55 -0.13 0.00 2.34 0.00 0.00 41.12 43.20 2jxb n ASP 13 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2jxb n TYR 14 N -0.05 0.00 -2.52 -0.67 0.18 -1.26 -4.92 117.16 107.92 2jxb n TYR 14 Ca 0.24 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.59 2jxb n TYR 14 Cb 0.65 -0.35 -0.02 0.00 -0.38 0.00 0.00 39.34 39.23 2jxb n TYR 14 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2jxb s ASN 15 N -3.86 6.90 0.18 9.48 3.04 -1.26 -5.00 114.94 124.42 2jxb s ASN 15 Ca -0.05 1.36 -0.07 0.00 0.04 0.00 0.00 52.86 54.14 2jxb s ASN 15 Cb 0.11 -2.54 -0.02 0.00 -1.54 0.00 0.00 41.25 37.27 2jxb s ASN 15 CO 0.73 -0.86 0.26 -0.94 -3.04 0.00 0.00 177.10 173.25 2jxb s SER 16 N 1.97 0.08 0.12 -4.21 1.04 -1.26 -5.06 113.70 106.38 2jxb s SER 16 Ca 0.51 -1.03 -0.19 0.00 0.48 0.00 0.00 55.95 55.72 2jxb s SER 16 Cb -0.17 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 2jxb s SER 16 CO 0.15 -0.91 1.73 -0.07 0.98 0.00 0.00 173.24 175.12 2jxb h LEU 17 N 2.55 0.32 -0.28 2.42 3.38 -2.04 -3.48 115.31 118.17 2jxb h LEU 17 Ca -0.32 -0.07 0.34 0.00 0.09 0.00 0.00 57.88 57.92 2jxb h LEU 17 Cb 1.23 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 2jxb h LEU 17 CO 0.48 0.30 -0.56 0.29 0.09 0.00 0.00 178.44 179.04 2jxb n LYS 18 N -4.86 -2.63 0.08 1.13 5.02 -1.26 -4.98 118.16 110.67 2jxb n LYS 18 Ca -0.02 1.81 0.00 0.00 -2.02 0.00 0.00 58.31 58.07 2jxb n LYS 18 Cb 0.07 -3.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.89 2jxb n LYS 18 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2jxb n LYS 19 N -3.93 0.00 -3.64 1.97 4.81 -1.26 -5.14 118.16 110.96 2jxb n LYS 19 Ca -0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 2jxb n LYS 19 Cb 0.59 -0.09 -0.07 0.00 0.02 0.00 0.00 35.03 35.48 2jxb n LYS 19 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2jxb s GLY 20 N -4.90 0.15 0.03 3.14 0.00 -1.26 -5.07 107.32 99.41 2jxb s GLY 20 Ca 0.00 3.19 -0.27 0.00 0.00 0.00 0.00 44.72 47.65 2jxb s GLY 20 CO 0.00 2.01 1.21 1.76 0.00 0.00 0.00 173.10 178.08 2jxb h SER 21 N 3.90 -0.81 -2.54 1.64 0.02 -2.03 -3.49 113.55 110.24 2jxb h SER 21 Ca -0.28 0.03 0.27 0.00 -0.84 0.00 0.00 61.79 60.98 2jxb h SER 21 Cb 1.19 0.21 -0.07 0.00 0.14 0.00 0.00 62.40 63.87 2jxb h SER 21 CO 0.16 -0.50 -0.36 0.18 -1.14 0.00 0.00 176.83 175.17 2jxb n LEU 22 N -5.02 0.00 -3.86 5.07 4.77 -1.26 -4.87 117.00 111.82 2jxb n LEU 22 Ca -0.12 1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 56.73 2jxb n LEU 22 Cb 0.38 -3.03 -0.17 0.00 -2.33 0.00 0.00 43.42 38.27 2jxb n LEU 22 CO 0.29 -2.45 -0.40 0.54 -1.33 0.00 0.00 177.39 174.04 2jxb s VAL 23 N -1.53 0.49 0.02 4.08 0.11 -1.26 -5.14 120.40 117.17 2jxb s VAL 23 Ca 0.00 -0.06 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2jxb s VAL 23 Cb 0.00 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 2jxb s VAL 23 CO 0.00 0.23 0.03 1.17 -3.33 0.00 0.00 175.10 173.20 2jxb n LYS 24 N 4.31 0.04 -0.44 1.54 4.81 -1.26 -5.17 118.16 121.99 2jxb n LYS 24 Ca -0.21 -0.15 -0.28 0.00 -0.87 0.00 0.00 58.31 56.80 2jxb n LYS 24 Cb 0.51 0.15 0.26 0.00 0.02 0.00 0.00 35.03 35.96 2jxb n LYS 24 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2jxb n ASN 25 N -2.04 -3.37 -4.15 3.14 5.03 -1.26 -5.08 115.26 107.54 2jxb n ASN 25 Ca 0.00 -0.90 -0.23 0.00 0.87 0.00 0.00 54.58 54.32 2jxb n ASN 25 Cb 0.03 -0.91 -0.09 0.00 -1.02 0.00 0.00 39.78 37.79 2jxb n ASN 25 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2jxb s LEU 26 N 0.00 1.94 0.00 3.41 1.02 -1.26 -5.17 118.68 118.62 2jxb s LEU 26 Ca 0.62 -1.58 -0.00 0.00 0.02 0.00 0.00 54.13 53.19 2jxb s LEU 26 Cb -0.09 -0.08 0.06 0.00 0.02 0.00 0.00 46.19 46.10 2jxb s LEU 26 CO 0.51 -0.85 0.41 1.41 0.02 0.00 0.00 176.35 177.85 2jxb n HIS 27 N -0.77 -3.20 0.16 0.29 8.25 -1.26 -5.00 115.22 113.69 2jxb n HIS 27 Ca -0.03 -0.73 0.04 0.00 -0.26 0.00 0.00 57.72 56.74 2jxb n HIS 27 Cb 0.65 -0.30 0.14 0.00 1.12 0.00 0.00 29.99 31.60 2jxb n HIS 27 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2jxb h MET 28 N 0.00 0.00 0.00 -0.41 2.86 -2.04 -3.49 114.93 111.85 2jxb h MET 28 Ca -0.14 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2jxb h MET 28 Cb 0.51 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2jxb h MET 28 CO 0.15 0.45 -0.10 2.41 1.06 0.00 0.00 176.91 180.88 2jxb n THR 29 N -3.32 0.00 -3.58 2.22 -1.04 -1.26 -5.01 114.28 102.29 2jxb n THR 29 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2jxb n THR 29 Cb 0.65 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2jxb n THR 29 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jxb n GLU 30 N -2.10 0.00 -3.06 -2.82 1.02 -1.26 -5.10 120.64 107.32 2jxb n GLU 30 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2jxb n GLU 30 Cb 0.13 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.52 2jxb n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jxb n GLU 31 N 0.00 2.10 -4.09 3.49 1.02 -1.26 -5.01 120.64 116.89 2jxb n GLU 31 Ca 0.00 -4.11 -0.24 0.00 -0.02 0.00 0.00 57.16 52.79 2jxb n GLU 31 Cb 0.00 -1.97 -0.05 0.00 -0.02 0.00 0.00 31.44 29.41 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 -3.45 4.55 -0.02 2.62 1.01 -1.26 -5.01 120.40 118.83 2jxb s VAL 32 Ca 0.44 -1.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2jxb s VAL 32 Cb 0.32 -3.40 0.02 0.00 0.00 0.00 0.00 36.38 33.31 2jxb s VAL 32 CO -0.11 -0.25 0.04 -0.63 0.00 0.00 0.00 175.10 174.15 2jxb s ILE 33 N -1.96 -0.03 0.30 2.22 1.01 -1.26 0.09 121.20 121.56 2jxb s ILE 33 Ca 0.32 0.13 0.10 0.00 0.00 0.00 0.00 60.65 61.20 2jxb s ILE 33 Cb -0.09 -0.08 -0.05 0.00 0.01 0.00 0.00 42.46 42.25 2jxb s ILE 33 CO 0.25 0.05 -0.03 0.54 0.00 0.00 0.00 174.94 175.75 2jxb s VAL 34 N 0.66 2.97 -0.10 2.92 0.11 -1.05 -4.11 120.40 121.80 2jxb s VAL 34 Ca -0.05 -2.02 0.01 0.00 -2.93 0.00 0.00 61.98 56.99 2jxb s VAL 34 Cb -0.08 -2.73 0.02 0.00 -1.53 0.00 0.00 36.38 32.06 2jxb s VAL 34 CO -0.02 -0.31 -0.13 -0.63 -3.33 0.00 0.00 175.10 170.68 2jxb s ILE 35 N -2.43 1.29 -0.34 7.04 -1.09 -1.01 -1.86 121.20 122.80 2jxb s ILE 35 Ca 0.33 -0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 57.94 2jxb s ILE 35 Cb -0.04 -1.20 -0.01 0.00 -1.58 0.00 0.00 42.46 39.63 2jxb s ILE 35 CO 0.19 0.40 1.60 0.00 -1.23 0.00 0.00 174.94 175.90 2jxb s ALA 36 N 1.04 3.04 0.43 9.38 0.00 -0.42 0.19 121.76 135.42 2jxb s ALA 36 Ca -0.07 0.15 0.20 0.00 0.00 0.00 0.00 51.96 52.24 2jxb s ALA 36 Cb -0.15 -3.94 1.14 0.00 0.00 0.00 0.00 23.12 20.17 2jxb s ALA 36 CO -0.01 -2.37 1.84 0.87 0.00 0.00 0.00 175.76 176.08 2jxb h LYS 37 N 11.50 0.34 0.00 0.00 1.57 -1.27 -2.64 116.57 126.07 2jxb h LYS 37 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 2jxb h LYS 37 Cb 1.14 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.37 2jxb h LYS 37 CO 1.04 0.23 0.00 0.91 -0.57 0.00 0.00 179.45 181.06 2jxb n TRP 38 N -4.50 -0.17 -3.86 -1.35 7.02 -1.22 -4.49 117.44 108.87 2jxb n TRP 38 Ca 0.21 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.34 2jxb n TRP 38 Cb 0.79 0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.59 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 -0.78 5.96 0.18 -0.99 1.47 -1.26 -3.66 116.67 117.60 2jxb s ASP 39 Ca 0.00 0.18 0.08 0.00 1.18 0.00 0.00 52.55 53.99 2jxb s ASP 39 Cb 0.00 -2.03 -0.04 0.00 -0.34 0.00 0.00 42.92 40.51 2jxb s ASP 39 CO 0.00 0.19 -0.16 -0.47 0.68 0.00 0.00 175.17 175.41 2jxb s TYR 40 N 0.30 1.73 -0.14 2.11 5.04 0.95 -4.91 117.35 122.43 2jxb s TYR 40 Ca 0.06 -0.53 0.00 0.00 -2.44 0.00 0.00 57.07 54.17 2jxb s TYR 40 Cb -0.12 -0.83 -0.01 0.00 0.35 0.00 0.00 41.96 41.35 2jxb s TYR 40 CO -0.01 0.34 -0.14 0.99 -1.34 0.00 0.00 175.55 175.39 2jxb s THR 41 N -2.55 2.86 -0.57 4.34 2.01 -1.26 -2.64 115.64 117.81 2jxb s THR 41 Ca 0.19 -0.72 -0.27 0.00 0.31 0.00 0.00 61.69 61.20 2jxb s THR 41 Cb -0.03 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.18 2jxb s THR 41 CO 0.07 0.52 2.46 0.00 -0.69 0.00 0.00 174.62 176.97 2jxb n ALA 42 N 3.77 0.73 0.14 7.40 0.00 -1.25 -4.78 120.51 126.53 2jxb n ALA 42 Ca -0.18 -0.77 0.14 0.00 0.00 0.00 0.00 53.44 52.63 2jxb n ALA 42 Cb 0.52 -3.00 0.68 0.00 0.00 0.00 0.00 19.45 17.65 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 17.81 0.00 0.00 0.00 -0.00 -1.90 -3.44 115.11 127.58 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 1.19 0.00 0.00 1.04 -0.00 0.00 0.00 178.83 181.06 2jxb n GLN 44 N -4.41 0.35 0.12 0.06 6.02 -1.26 -5.05 117.38 113.21 2jxb n GLN 44 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.06 2jxb n GLN 44 Cb 0.33 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.60 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 0.00 0.20 1.08 5.19 -2.03 -3.31 116.42 117.55 2jxb h ASP 45 Ca 0.00 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.18 2jxb h ASP 45 Cb 0.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.52 2jxb h ASP 45 CO 0.00 0.38 -0.94 1.56 -3.12 0.00 0.00 179.24 177.13 2jxb h GLN 46 N 0.00 0.52 -7.54 3.56 7.50 -1.96 -3.46 115.11 113.73 2jxb h GLN 46 Ca -0.04 -0.53 -0.47 0.00 0.50 0.00 0.00 58.65 58.11 2jxb h GLN 46 Cb 1.33 0.14 0.12 0.00 0.05 0.00 0.00 27.48 29.12 2jxb h GLN 46 CO 0.04 1.16 0.35 -1.21 -1.50 0.00 0.00 178.83 177.68 2jxb s GLU 47 N -3.36 1.57 0.27 1.46 8.01 -1.25 -3.14 118.70 122.27 2jxb s GLU 47 Ca -0.07 0.24 0.12 0.00 0.01 0.00 0.00 54.97 55.27 2jxb s GLU 47 Cb 0.08 -1.89 -0.05 0.00 -4.31 0.00 0.00 34.13 27.96 2jxb s GLU 47 CO 0.88 -1.89 -0.17 -1.17 0.01 0.00 0.00 175.26 172.92 2jxb s LEU 48 N -5.82 2.67 -0.21 1.80 0.20 0.87 -4.53 118.68 113.67 2jxb s LEU 48 Ca 0.63 -0.95 -0.04 0.00 0.69 0.00 0.00 54.13 54.46 2jxb s LEU 48 Cb -0.13 -1.21 -0.01 0.00 -0.43 0.00 0.00 46.19 44.41 2jxb s LEU 48 CO 0.52 0.04 -0.04 1.51 -0.29 0.00 0.00 176.35 178.09 2jxb s ASP 49 N -3.46 4.36 0.17 3.68 1.47 -1.26 -3.75 116.67 117.88 2jxb s ASP 49 Ca 0.29 -0.36 0.10 0.00 1.18 0.00 0.00 52.55 53.76 2jxb s ASP 49 Cb -0.05 -1.74 -0.04 0.00 -0.34 0.00 0.00 42.92 40.74 2jxb s ASP 49 CO 0.15 0.00 -0.21 0.27 0.68 0.00 0.00 175.17 176.07 2jxb s ILE 50 N 1.33 2.04 0.38 2.11 -5.25 -1.08 -4.95 121.20 115.78 2jxb s ILE 50 Ca 0.04 -1.95 0.08 0.00 -0.99 0.00 0.00 60.65 57.83 2jxb s ILE 50 Cb -0.14 -1.95 -0.03 0.00 2.95 0.00 0.00 42.46 43.29 2jxb s ILE 50 CO -0.02 -0.22 0.28 -0.75 -1.79 0.00 0.00 174.94 172.44 2jxb s LYS 51 N -2.71 2.49 0.32 0.37 2.36 -1.26 -0.04 119.74 121.28 2jxb s LYS 51 Ca 0.17 -1.54 -0.28 0.00 -2.55 0.00 0.00 55.97 51.78 2jxb s LYS 51 Cb -0.07 -2.29 -0.13 0.00 -1.05 0.00 0.00 37.83 34.29 2jxb s LYS 51 CO 0.08 -0.06 1.14 1.63 1.55 0.00 0.00 175.35 179.69 2jxb n LYS 52 N -1.38 1.71 -3.68 4.03 5.02 -1.24 -2.63 118.16 119.99 2jxb n LYS 52 Ca 0.00 0.60 -0.28 0.00 -2.02 0.00 0.00 58.31 56.61 2jxb n LYS 52 Cb 0.62 -2.08 0.04 0.00 -0.02 0.00 0.00 35.03 33.58 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jxb n ASN 53 N 0.95 -4.35 -4.22 4.39 5.15 -0.99 -4.95 115.26 111.24 2jxb n ASN 53 Ca 0.07 -0.97 -0.33 0.00 -0.60 0.00 0.00 54.58 52.75 2jxb n ASN 53 Cb 0.34 -3.58 -0.16 0.00 -0.53 0.00 0.00 39.78 35.86 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 -5.91 3.14 0.04 1.20 2.56 -1.08 -4.94 118.70 113.71 2jxb s GLU 54 Ca 0.36 -0.78 -0.05 0.00 0.00 0.00 0.00 54.97 54.50 2jxb s GLU 54 Cb -0.12 -2.60 -0.05 0.00 2.00 0.00 0.00 34.13 33.36 2jxb s GLU 54 CO 0.85 -0.05 0.28 -0.98 -0.56 0.00 0.00 175.26 174.79 2jxb s ARG 55 N 0.97 3.56 0.32 4.30 1.70 -1.26 -1.30 118.95 127.24 2jxb s ARG 55 Ca -0.03 -0.15 -0.04 0.00 -0.47 0.00 0.00 55.73 55.05 2jxb s ARG 55 Cb -0.15 -3.03 -0.00 0.00 -0.57 0.00 0.00 34.95 31.20 2jxb s ARG 55 CO -0.03 0.61 0.44 -0.51 -1.08 0.00 0.00 175.30 174.72 2jxb s LEU 56 N -2.06 0.95 -0.45 -1.89 1.02 -0.78 -4.90 118.68 110.56 2jxb s LEU 56 Ca 0.31 -1.40 -0.18 0.00 0.02 0.00 0.00 54.13 52.87 2jxb s LEU 56 Cb -0.13 1.39 0.03 0.00 0.02 0.00 0.00 46.19 47.51 2jxb s LEU 56 CO 0.20 -1.23 0.53 0.26 0.02 0.00 0.00 176.35 176.13 2jxb s TRP 57 N -3.30 3.12 0.07 0.29 0.51 0.80 -2.53 118.94 117.89 2jxb s TRP 57 Ca 0.30 -0.38 -0.31 0.00 -2.12 0.00 0.00 56.10 53.60 2jxb s TRP 57 Cb 0.00 -3.19 -0.08 0.00 -0.81 0.00 0.00 33.47 29.40 2jxb s TRP 57 CO 0.18 -0.84 1.57 -0.51 -0.51 0.00 0.00 176.95 176.85 2jxb s LEU 58 N 2.40 4.35 -0.02 2.99 1.43 0.11 -0.08 118.68 129.87 2jxb s LEU 58 Ca 0.15 2.40 -0.02 0.00 -1.03 0.00 0.00 54.13 55.63 2jxb s LEU 58 Cb -0.17 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.47 2jxb s LEU 58 CO 0.14 -0.83 -0.04 0.18 0.23 0.00 0.00 176.35 176.03 2jxb n LEU 59 N 5.28 0.21 -3.74 1.79 4.77 0.16 -4.15 117.00 121.32 2jxb n LEU 59 Ca 0.15 0.04 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 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 0.61 -0.48 -0.37 -0.62 -1.33 0.00 0.00 177.39 175.21 2jxb s ASP 60 N -4.29 3.00 -0.69 -1.43 -1.08 -1.12 -4.75 116.67 106.32 2jxb s ASP 60 Ca -0.03 -0.87 0.05 0.00 -0.52 0.00 0.00 52.55 51.18 2jxb s ASP 60 Cb 0.00 -0.62 0.19 0.00 -1.46 0.00 0.00 42.92 41.03 2jxb s ASP 60 CO 0.04 -0.31 0.56 -0.90 0.52 0.00 0.00 175.17 175.09 2jxb n ASP 61 N 5.03 3.19 -0.06 -0.34 5.75 -1.26 -2.02 116.55 126.84 2jxb n ASP 61 Ca -0.09 -3.27 -0.14 0.00 -0.01 0.00 0.00 54.79 51.29 2jxb n ASP 61 Cb 0.47 -0.73 -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 1.66 0.94 -4.40 -1.12 7.64 -1.26 -5.03 113.62 112.05 2jxb n SER 62 Ca 0.23 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 63.34 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 -2.23 1.14 0.34 1.43 1.02 -1.26 -4.94 119.74 115.23 2jxb s LYS 63 Ca -0.18 -0.75 0.12 0.00 0.02 0.00 0.00 55.97 55.19 2jxb s LYS 63 Cb 0.07 -2.08 0.97 0.00 -0.52 0.00 0.00 37.83 36.27 2jxb s LYS 63 CO 0.23 -1.95 1.72 0.00 -0.92 0.00 0.00 175.35 174.42 2jxb h THR 64 N -1.11 0.47 -2.91 2.17 1.03 -1.93 -3.39 112.91 107.24 2jxb h THR 64 Ca -0.40 -0.17 -0.63 0.00 -0.01 0.00 0.00 66.41 65.20 2jxb h THR 64 Cb 1.25 -0.06 -0.06 0.00 -1.07 0.00 0.00 68.15 68.20 2jxb h THR 64 CO 0.39 0.09 -0.31 0.26 -0.01 0.00 0.00 175.52 175.94 2jxb s TRP 65 N -5.70 3.66 0.13 0.00 0.52 -1.26 -2.39 118.94 113.89 2jxb s TRP 65 Ca -0.10 0.79 0.07 0.00 0.02 0.00 0.00 56.10 56.88 2jxb s TRP 65 Cb 0.28 -2.17 -0.04 0.00 -1.15 0.00 0.00 33.47 30.38 2jxb s TRP 65 CO 0.80 0.64 -0.08 -1.58 0.02 0.00 0.00 176.95 176.75 2jxb s TRP 66 N -0.90 2.76 -0.27 -1.98 0.51 -0.40 -4.51 118.94 114.16 2jxb s TRP 66 Ca 0.20 -0.15 -0.04 0.00 -2.12 0.00 0.00 56.10 53.98 2jxb s TRP 66 Cb -0.15 -1.41 0.02 0.00 -0.81 0.00 0.00 33.47 31.12 2jxb s TRP 66 CO 0.09 0.46 0.00 0.50 -0.51 0.00 0.00 176.95 177.50 2jxb s ARG 67 N -2.44 3.00 0.32 4.98 3.52 -0.85 -1.64 118.95 125.84 2jxb s ARG 67 Ca 0.23 -0.89 0.07 0.00 -0.13 0.00 0.00 55.73 55.01 2jxb s ARG 67 Cb -0.10 -3.16 -0.06 0.00 -1.56 0.00 0.00 34.95 30.06 2jxb s ARG 67 CO 0.15 -0.40 -0.05 0.14 -0.81 0.00 0.00 175.30 174.33 2jxb s VAL 68 N 1.42 1.82 0.16 7.11 -7.23 -1.18 0.39 120.40 122.88 2jxb s VAL 68 Ca 0.02 -2.12 0.11 0.00 -1.81 0.00 0.00 61.98 58.18 2jxb s VAL 68 Cb -0.17 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 2jxb s VAL 68 CO -0.01 -0.19 -0.25 -0.60 -0.31 0.00 0.00 175.10 173.74 2jxb s ARG 69 N -3.71 1.50 0.50 4.82 3.52 0.89 -2.72 118.95 123.75 2jxb s ARG 69 Ca 0.32 -1.41 0.03 0.00 -0.13 0.00 0.00 55.73 54.55 2jxb s ARG 69 Cb 0.05 -1.90 0.03 0.00 -1.56 0.00 0.00 34.95 31.57 2jxb s ARG 69 CO 0.15 0.43 0.27 0.27 -0.81 0.00 0.00 175.30 175.61 2jxb n ASN 70 N 0.62 2.83 0.00 -2.12 2.04 -1.07 -0.14 115.26 117.41 2jxb n ASN 70 Ca -0.15 -2.85 0.07 0.00 -0.44 0.00 0.00 54.58 51.21 2jxb n ASN 70 Cb 0.54 0.07 0.33 0.00 -2.53 0.00 0.00 39.78 38.19 2jxb n ASN 70 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2jxb n ALA 71 N -1.81 1.73 1.92 -2.53 0.00 -1.26 -2.22 120.51 116.34 2jxb n ALA 71 Ca -0.17 -0.06 0.10 0.00 0.00 0.00 0.00 53.44 53.31 2jxb n ALA 71 Cb 0.59 -1.24 0.57 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.42 2.61 -1.19 0.00 0.00 -1.26 -4.85 120.51 114.40 2jxb n ALA 72 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 2jxb n ALA 72 Cb 0.15 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 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 -0.69 -4.96 -4.67 0.00 3.02 -0.94 -4.98 115.26 102.05 2jxb n ASN 73 Ca 0.15 0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 54.55 2jxb n ASN 73 Cb 0.10 -3.04 -0.08 0.00 -0.61 0.00 0.00 39.78 36.15 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 2.59 -0.06 3.52 3.52 -1.26 -4.98 118.95 120.06 2jxb s ARG 74 Ca 0.00 -0.78 0.05 0.00 -0.13 0.00 0.00 55.73 54.87 2jxb s ARG 74 Cb 0.00 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.82 2jxb s ARG 74 CO 0.00 0.56 -0.21 0.95 -0.81 0.00 0.00 175.30 175.80 2jxb s THR 75 N -1.22 2.45 0.00 4.11 -4.23 -1.26 -2.59 115.64 112.89 2jxb s THR 75 Ca 0.23 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.81 2jxb s THR 75 Cb -0.12 -1.92 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2jxb s THR 75 CO 0.15 0.57 0.00 0.61 -0.54 0.00 0.00 174.62 175.41 2jxb n GLY 76 N 2.79 3.74 3.53 3.99 0.00 -1.10 -5.01 105.19 113.13 2jxb n GLY 76 Ca -0.17 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.04 2.57 -0.10 1.61 2.02 -1.19 -3.10 117.35 116.11 2jxb s TYR 77 Ca 0.00 -0.25 -0.23 0.00 -0.37 0.00 0.00 57.07 56.22 2jxb s TYR 77 Cb 0.00 -1.28 0.05 0.00 -0.40 0.00 0.00 41.96 40.34 2jxb s TYR 77 CO 0.00 0.49 0.56 0.14 -1.57 0.00 0.00 175.55 175.16 2jxb s VAL 78 N -1.59 0.01 -0.01 0.71 -7.23 -0.65 -0.09 120.40 111.54 2jxb s VAL 78 Ca 0.23 -0.11 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 2jxb s VAL 78 Cb -0.09 -0.84 -0.06 0.00 0.56 0.00 0.00 36.38 35.96 2jxb s VAL 78 CO 0.13 -0.06 1.46 -2.16 -0.31 0.00 0.00 175.10 174.16 2jxb s PRO 79 N -0.66 4.25 0.50 4.82 0.04 -1.26 -1.27 135.00 141.42 2jxb s PRO 79 Ca -0.07 2.02 0.34 0.00 0.04 0.00 0.00 61.00 63.32 2jxb s PRO 79 Cb -0.03 -3.64 1.80 0.00 0.04 0.00 0.00 34.50 32.67 2jxb s PRO 79 CO 0.05 -0.64 2.03 0.66 0.04 0.00 0.00 177.00 179.14 2jxb h SER 80 N 8.14 0.00 0.62 6.66 4.64 -1.80 -0.67 113.55 131.14 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 -0.58 0.78 -0.87 0.00 0.00 176.83 177.07 2jxb h ASN 81 N 0.00 0.00 -0.24 4.97 4.21 -1.90 -2.85 115.58 119.77 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 0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.23 2jxb h ASN 81 CO 0.00 0.58 0.00 -1.22 -1.29 0.00 0.00 177.43 175.50 2jxb n TYR 82 N -3.80 0.29 -4.38 1.19 4.02 -0.28 -4.93 117.16 109.26 2jxb n TYR 82 Ca -0.01 -0.15 -0.20 0.00 -0.01 0.00 0.00 57.90 57.53 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 -1.71 1.87 -0.30 -0.72 0.11 -1.08 -0.82 120.40 117.75 2jxb s VAL 83 Ca 0.35 -2.23 -0.05 0.00 -2.93 0.00 0.00 61.98 57.12 2jxb s VAL 83 Cb 0.21 -2.17 0.17 0.00 -1.53 0.00 0.00 36.38 33.06 2jxb s VAL 83 CO 0.31 -0.51 0.64 -0.70 -3.33 0.00 0.00 175.10 171.51 2jxb s GLU 84 N -3.63 0.56 0.88 1.54 2.56 0.13 -4.72 118.70 116.00 2jxb s GLU 84 Ca 0.25 1.13 -0.11 0.00 0.00 0.00 0.00 54.97 56.25 2jxb s GLU 84 Cb -0.01 0.65 0.12 0.00 2.00 0.00 0.00 34.13 36.89 2jxb s GLU 84 CO 0.09 -0.46 1.11 -0.98 -0.56 0.00 0.00 175.26 174.47 2jxb s ARG 85 N 2.87 1.38 0.00 4.30 1.70 -1.26 -2.41 118.95 125.53 2jxb s ARG 85 Ca 0.11 1.27 0.00 0.00 -0.47 0.00 0.00 55.73 56.64 2jxb s ARG 85 Cb -0.14 -1.79 0.00 0.00 -0.57 0.00 0.00 34.95 32.45 2jxb s ARG 85 CO -0.20 -2.29 0.00 1.63 -1.08 0.00 0.00 175.30 173.36