#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 -2.71 -4.71 -0.41 0.00 -1.26 -4.67 117.12 103.37 2jxb n MET 2 Ca 0.00 1.81 -0.25 0.00 0.00 0.00 0.00 57.70 59.26 2jxb n MET 2 Cb 0.00 -3.29 -0.14 0.00 0.00 0.00 0.00 33.22 29.78 2jxb n MET 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2jxb s LYS 3 N -2.24 1.39 -0.14 2.12 -2.85 -1.26 -4.97 119.74 111.79 2jxb s LYS 3 Ca 0.00 -0.83 -0.10 0.00 -1.00 0.00 0.00 55.97 54.05 2jxb s LYS 3 Cb 0.00 -1.44 0.04 0.00 -2.06 0.00 0.00 37.83 34.37 2jxb s LYS 3 CO 0.00 0.38 0.19 0.39 0.10 0.00 0.00 175.35 176.41 2jxb n GLU 4 N 2.12 -4.34 -1.28 1.78 1.02 -1.26 -4.92 120.64 113.77 2jxb n GLU 4 Ca -0.16 3.28 0.00 0.00 -0.02 0.00 0.00 57.16 60.26 2jxb n GLU 4 Cb 0.53 -4.66 0.00 0.00 -0.02 0.00 0.00 31.44 27.29 2jxb n GLU 4 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jxb n ARG 5 N 1.58 -3.63 -1.19 3.49 3.00 -1.26 -4.97 116.66 113.68 2jxb n ARG 5 Ca -0.32 2.68 -0.29 0.00 -0.00 0.00 0.00 57.85 59.91 2jxb n ARG 5 Cb 0.50 -2.99 0.16 0.00 0.00 0.00 0.00 32.46 30.13 2jxb n ARG 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2jxb s PRO 6 N -3.69 0.78 0.97 -0.14 0.04 -1.26 -4.95 135.00 126.76 2jxb s PRO 6 Ca 0.00 0.65 -0.12 0.00 0.04 0.00 0.00 61.00 61.56 2jxb s PRO 6 Cb 0.00 -1.77 0.17 0.00 0.04 0.00 0.00 34.50 32.94 2jxb s PRO 6 CO 0.00 -2.52 1.09 -1.25 0.04 0.00 0.00 177.00 174.36 2jxb s PRO 7 N -4.95 0.68 1.11 0.56 0.04 -1.26 -5.04 135.00 126.13 2jxb s PRO 7 Ca 0.64 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 2jxb s PRO 7 Cb -0.18 -1.76 0.24 0.00 0.04 0.00 0.00 34.50 32.84 2jxb s PRO 7 CO 0.57 -2.58 1.10 -1.25 0.04 0.00 0.00 177.00 174.88 2jxb s PRO 8 N -4.96 -0.45 0.48 0.56 0.04 -1.26 -4.96 135.00 124.45 2jxb s PRO 8 Ca 0.65 0.22 -0.23 0.00 0.04 0.00 0.00 61.00 61.68 2jxb s PRO 8 Cb -0.18 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.62 2jxb s PRO 8 CO 0.57 -3.26 1.17 1.33 0.04 0.00 0.00 177.00 176.86 2jxb n VAL 9 N -4.49 3.01 -1.33 -0.36 0.24 -1.26 -4.81 118.33 109.33 2jxb n VAL 9 Ca 0.09 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.34 61.49 2jxb n VAL 9 Cb 0.58 -1.42 -0.06 0.00 -1.47 0.00 0.00 33.84 31.47 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 -0.35 1.44 -3.17 7.34 -0.04 -1.26 -4.53 135.00 134.42 2jxb n PRO 10 Ca 0.09 -1.94 -0.22 0.00 -0.04 0.00 0.00 63.50 61.39 2jxb n PRO 10 Cb 0.42 -3.09 0.02 0.00 -0.04 0.00 0.00 33.50 30.82 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 9.20 -5.43 -4.75 3.54 0.23 -1.26 -4.83 115.26 111.96 2jxb n ASN 11 Ca 0.48 0.06 -0.41 0.00 -0.53 0.00 0.00 54.58 54.18 2jxb n ASN 11 Cb 0.42 -1.45 -0.03 0.00 -2.08 0.00 0.00 39.78 36.64 2jxb n ASN 11 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2jxb s PRO 12 N -1.70 4.41 -0.21 -0.53 0.04 -1.26 -4.95 135.00 130.80 2jxb s PRO 12 Ca 0.21 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.44 2jxb s PRO 12 Cb -0.02 -3.17 0.45 0.00 0.04 0.00 0.00 34.50 31.80 2jxb s PRO 12 CO 0.47 -0.18 1.18 -3.47 0.04 0.00 0.00 177.00 175.04 2jxb n ASP 13 N 2.13 2.66 0.23 6.66 2.03 -1.26 -4.77 116.55 124.23 2jxb n ASP 13 Ca 0.04 -3.15 0.14 0.00 0.52 0.00 0.00 54.79 52.35 2jxb n ASP 13 Cb 0.43 -0.42 0.43 0.00 -0.72 0.00 0.00 41.12 40.84 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 1.73 0.00 -0.91 -0.67 -0.00 -2.01 -3.18 116.97 111.93 2jxb h TYR 14 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 58.73 58.89 2jxb h TYR 14 Cb 1.39 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 38.05 2jxb h TYR 14 CO 0.64 0.00 0.58 -0.91 -0.00 0.00 0.00 178.16 178.47 2jxb h ASN 15 N 0.00 0.81 -3.36 0.10 -0.26 -2.01 -3.48 115.58 107.37 2jxb h ASN 15 Ca 0.00 0.03 0.35 0.00 -0.56 0.00 0.00 56.30 56.12 2jxb h ASN 15 Cb 0.72 -0.14 -0.09 0.00 -1.06 0.00 0.00 38.32 37.76 2jxb h ASN 15 CO 0.00 0.46 -0.47 -0.24 -1.06 0.00 0.00 177.43 176.12 2jxb n SER 16 N -4.54 -7.63 -0.07 5.81 2.88 -1.20 -4.83 113.62 104.02 2jxb n SER 16 Ca 0.16 0.51 -0.15 0.00 -1.33 0.00 0.00 58.87 58.07 2jxb n SER 16 Cb 0.33 -3.89 -0.06 0.00 -0.75 0.00 0.00 64.21 59.85 2jxb n SER 16 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jxb n LEU 17 N -3.89 1.46 -4.82 2.46 4.32 -1.26 -5.03 117.00 110.25 2jxb n LEU 17 Ca 0.01 0.13 -0.32 0.00 -0.02 0.00 0.00 56.01 55.81 2jxb n LEU 17 Cb 0.59 -0.45 0.02 0.00 -1.62 0.00 0.00 43.42 41.96 2jxb n LEU 17 CO 0.01 0.40 0.71 -0.75 -1.22 0.00 0.00 177.39 176.54 2jxb s LYS 18 N -2.27 3.24 0.38 3.23 2.20 -1.26 -5.08 119.74 120.18 2jxb s LYS 18 Ca -0.20 1.02 0.05 0.00 -0.36 0.00 0.00 55.97 56.47 2jxb s LYS 18 Cb 0.07 -2.03 0.05 0.00 -1.51 0.00 0.00 37.83 34.41 2jxb s LYS 18 CO 0.27 -0.86 0.38 0.36 -0.36 0.00 0.00 175.35 175.15 2jxb n LYS 19 N -2.55 0.86 0.00 4.03 2.85 -1.26 -5.14 118.16 116.95 2jxb n LYS 19 Ca 0.08 -2.24 0.00 0.00 -1.05 0.00 0.00 58.31 55.10 2jxb n LYS 19 Cb 0.53 0.08 0.00 0.00 -0.65 0.00 0.00 35.03 35.00 2jxb n LYS 19 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jxb n GLY 20 N 0.41 1.17 3.69 2.58 0.00 -1.26 -5.14 105.19 106.64 2jxb n GLY 20 Ca 0.04 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 2jxb n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jxb s SER 21 N 0.00 6.52 0.39 1.61 0.15 -1.26 -4.94 113.70 116.17 2jxb s SER 21 Ca 0.00 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2jxb s SER 21 Cb 0.00 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.06 2jxb s SER 21 CO 0.00 -0.04 0.00 0.18 1.20 0.00 0.00 173.24 174.58 2jxb n LEU 22 N 4.16 -0.74 -3.67 3.45 4.77 -1.26 -4.97 117.00 118.74 2jxb n LEU 22 Ca -0.08 1.67 -0.08 0.00 -0.03 0.00 0.00 56.01 57.49 2jxb n LEU 22 Cb 0.51 -4.09 -0.09 0.00 -2.33 0.00 0.00 43.42 37.43 2jxb n LEU 22 CO 0.41 -2.95 0.12 0.54 -1.33 0.00 0.00 177.39 174.18 2jxb s VAL 23 N -2.80 -0.42 0.09 4.08 0.11 -1.26 -5.04 120.40 115.16 2jxb s VAL 23 Ca 0.00 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 2jxb s VAL 23 Cb 0.00 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2jxb s VAL 23 CO 0.00 0.04 0.00 0.29 -3.33 0.00 0.00 175.10 172.10 2jxb n LYS 24 N 4.91 0.00 -2.86 1.54 5.02 -1.26 -5.11 118.16 120.40 2jxb n LYS 24 Ca -0.15 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.13 2jxb n LYS 24 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2jxb n LYS 24 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2jxb n ASN 25 N -2.77 -7.63 -3.60 4.39 4.13 -1.26 -4.90 115.26 103.62 2jxb n ASN 25 Ca 0.00 1.11 -0.29 0.00 1.68 0.00 0.00 54.58 57.08 2jxb n ASN 25 Cb 0.00 -4.31 -0.12 0.00 -1.54 0.00 0.00 39.78 33.81 2jxb n ASN 25 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2jxb s LEU 26 N -1.52 2.09 -0.17 3.41 1.43 -1.26 -4.91 118.68 117.75 2jxb s LEU 26 Ca 0.02 -2.59 0.16 0.00 -1.03 0.00 0.00 54.13 50.69 2jxb s LEU 26 Cb -0.00 -0.79 0.36 0.00 0.03 0.00 0.00 46.19 45.79 2jxb s LEU 26 CO 0.58 -0.26 1.22 1.57 0.23 0.00 0.00 176.35 179.69 2jxb n HIS 27 N 3.55 -0.20 -0.68 0.29 -0.00 -1.26 -5.13 115.22 111.79 2jxb n HIS 27 Ca 0.13 -1.33 -0.31 0.00 0.46 0.00 0.00 57.72 56.66 2jxb n HIS 27 Cb 0.37 0.43 0.17 0.00 -0.12 0.00 0.00 29.99 30.84 2jxb n HIS 27 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jxb n MET 28 N -0.50 -0.69 -1.22 1.57 0.00 -1.26 -4.98 117.12 110.03 2jxb n MET 28 Ca -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 57.70 57.46 2jxb n MET 28 Cb 0.88 -2.20 -0.03 0.00 0.00 0.00 0.00 33.22 31.86 2jxb n MET 28 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 2jxb n THR 29 N -4.19 0.01 -3.30 3.17 5.66 -1.26 -5.13 114.28 109.23 2jxb n THR 29 Ca 0.09 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 2jxb n THR 29 Cb 0.53 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 70.02 2jxb n THR 29 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2jxb n GLU 30 N 0.20 0.00 -3.16 1.09 2.13 -1.26 -5.12 120.64 114.52 2jxb n GLU 30 Ca -0.14 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.46 2jxb n GLU 30 Cb 0.89 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.54 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 0.68 -4.17 5.31 -0.58 -1.26 -5.08 120.64 115.54 2jxb n GLU 31 Ca 0.00 -3.07 -0.25 0.00 -0.42 0.00 0.00 57.16 53.42 2jxb n GLU 31 Cb 0.00 -1.27 -0.06 0.00 -0.57 0.00 0.00 31.44 29.54 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 -0.91 4.03 -0.05 2.62 1.01 -1.26 -5.02 120.40 120.82 2jxb s VAL 32 Ca 0.35 -1.42 -0.03 0.00 0.00 0.00 0.00 61.98 60.88 2jxb s VAL 32 Cb 0.17 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.48 2jxb s VAL 32 CO -0.13 -0.21 0.11 -0.63 0.00 0.00 0.00 175.10 174.25 2jxb s ILE 33 N -1.93 -0.03 0.30 2.22 1.01 -1.26 -0.07 121.20 121.44 2jxb s ILE 33 Ca 0.30 0.10 0.11 0.00 0.00 0.00 0.00 60.65 61.17 2jxb s ILE 33 Cb -0.09 -0.18 -0.05 0.00 0.01 0.00 0.00 42.46 42.15 2jxb s ILE 33 CO 0.21 0.04 -0.14 0.54 0.00 0.00 0.00 174.94 175.60 2jxb s VAL 34 N 0.66 2.52 -0.08 2.92 0.11 -1.04 -4.21 120.40 121.27 2jxb s VAL 34 Ca -0.05 -2.28 0.01 0.00 -2.93 0.00 0.00 61.98 56.73 2jxb s VAL 34 Cb -0.07 -2.47 0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2jxb s VAL 34 CO -0.03 -0.33 -0.11 -0.63 -3.33 0.00 0.00 175.10 170.66 2jxb s ILE 35 N -2.52 1.15 -0.27 7.04 1.01 -0.91 -1.82 121.20 124.87 2jxb s ILE 35 Ca 0.31 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 60.23 2jxb s ILE 35 Cb -0.03 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 2jxb s ILE 35 CO 0.16 0.37 1.70 0.00 0.00 0.00 0.00 174.94 177.17 2jxb s ALA 36 N 1.01 3.09 0.42 9.38 0.00 -0.56 0.09 121.76 135.18 2jxb s ALA 36 Ca -0.08 0.37 0.20 0.00 0.00 0.00 0.00 51.96 52.45 2jxb s ALA 36 Cb -0.15 -3.93 1.15 0.00 0.00 0.00 0.00 23.12 20.19 2jxb s ALA 36 CO -0.01 -2.26 1.81 0.87 0.00 0.00 0.00 175.76 176.17 2jxb h LYS 37 N 11.69 0.34 -3.53 0.00 1.57 -0.88 -2.84 116.57 122.92 2jxb h LYS 37 Ca -0.34 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.38 2jxb h LYS 37 Cb 1.16 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.30 2jxb h LYS 37 CO 1.02 0.23 -0.08 -1.58 -0.57 0.00 0.00 179.45 178.46 2jxb s TRP 38 N -5.41 0.18 0.28 -1.35 0.52 -1.21 -4.51 118.94 107.44 2jxb s TRP 38 Ca -0.08 -0.55 -0.30 0.00 0.02 0.00 0.00 56.10 55.19 2jxb s TRP 38 Cb 0.24 0.25 -0.12 0.00 -1.15 0.00 0.00 33.47 32.69 2jxb s TRP 38 CO 0.79 -0.95 1.61 -0.40 0.02 0.00 0.00 176.95 178.03 2jxb n ASP 39 N -0.35 3.85 -4.22 2.95 5.68 -1.26 -4.45 116.55 118.75 2jxb n ASP 39 Ca -0.05 1.13 -0.31 0.00 -0.50 0.00 0.00 54.79 55.06 2jxb n ASP 39 Cb 0.62 -1.58 -0.17 0.00 -1.14 0.00 0.00 41.12 38.85 2jxb n ASP 39 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2jxb s TYR 40 N 0.20 2.37 -0.39 2.11 5.04 -0.33 -4.87 117.35 121.48 2jxb s TYR 40 Ca 0.66 -0.85 -0.09 0.00 -2.44 0.00 0.00 57.07 54.34 2jxb s TYR 40 Cb -0.50 -1.58 0.05 0.00 0.35 0.00 0.00 41.96 40.28 2jxb s TYR 40 CO 0.46 -0.32 0.21 -0.08 -1.34 0.00 0.00 175.55 174.48 2jxb s THR 41 N 0.16 4.27 0.13 4.34 -1.32 -1.26 -1.15 115.64 120.81 2jxb s THR 41 Ca -0.12 -1.17 -0.34 0.00 -1.21 0.00 0.00 61.69 58.85 2jxb s THR 41 Cb -0.16 -3.50 -0.13 0.00 -1.51 0.00 0.00 72.50 67.20 2jxb s THR 41 CO 0.06 -0.36 1.62 0.00 -2.21 0.00 0.00 174.62 173.74 2jxb n ALA 42 N 4.93 1.36 -0.02 11.08 0.00 -1.21 -4.91 120.51 131.74 2jxb n ALA 42 Ca -0.11 0.42 -0.21 0.00 0.00 0.00 0.00 53.44 53.54 2jxb n ALA 42 Cb 0.44 -2.38 -0.13 0.00 0.00 0.00 0.00 19.45 17.38 2jxb n ALA 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jxb h GLN 43 N 6.39 0.18 0.00 0.00 7.50 -1.91 -3.48 115.11 123.79 2jxb h GLN 43 Ca -0.45 -0.30 0.00 0.00 0.50 0.00 0.00 58.65 58.40 2jxb h GLN 43 Cb 1.25 0.11 0.00 0.00 0.05 0.00 0.00 27.48 28.90 2jxb h GLN 43 CO 0.90 1.14 0.00 1.04 -1.50 0.00 0.00 178.83 180.41 2jxb n GLN 44 N -4.03 1.20 0.00 1.46 1.13 -1.26 -5.02 117.38 110.85 2jxb n GLN 44 Ca -0.26 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 54.91 2jxb n GLN 44 Cb 0.84 0.00 0.19 0.00 0.11 0.00 0.00 30.24 31.38 2jxb n GLN 44 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2jxb n ASP 45 N -2.64 0.58 0.02 1.08 9.92 -1.26 -4.14 116.55 120.12 2jxb n ASP 45 Ca 0.00 -0.36 -0.19 0.00 -0.53 0.00 0.00 54.79 53.71 2jxb n ASP 45 Cb 0.00 0.37 -0.14 0.00 -0.64 0.00 0.00 41.12 40.71 2jxb n ASP 45 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 2jxb h GLN 46 N 0.00 0.26 -7.69 -1.24 4.20 -1.97 -3.47 115.11 105.21 2jxb h GLN 46 Ca 0.00 -0.42 -0.44 0.00 0.06 0.00 0.00 58.65 57.86 2jxb h GLN 46 Cb 0.50 0.15 0.17 0.00 0.30 0.00 0.00 27.48 28.60 2jxb h GLN 46 CO 0.00 1.18 0.33 -1.21 -0.67 0.00 0.00 178.83 178.46 2jxb s GLU 47 N -2.53 0.12 0.30 1.46 8.01 -1.26 -3.20 118.70 121.60 2jxb s GLU 47 Ca -0.14 -0.28 0.05 0.00 0.01 0.00 0.00 54.97 54.60 2jxb s GLU 47 Cb 0.01 -1.77 -0.06 0.00 -4.31 0.00 0.00 34.13 27.99 2jxb s GLU 47 CO 0.81 -2.78 0.01 -1.17 0.01 0.00 0.00 175.26 172.13 2jxb s LEU 48 N -6.20 2.32 -0.15 1.80 0.20 -0.99 -4.63 118.68 111.04 2jxb s LEU 48 Ca 0.73 -1.29 -0.02 0.00 0.69 0.00 0.00 54.13 54.24 2jxb s LEU 48 Cb -0.06 -0.48 -0.02 0.00 -0.43 0.00 0.00 46.19 45.20 2jxb s LEU 48 CO 0.54 -0.50 -0.09 -0.62 -0.29 0.00 0.00 176.35 175.40 2jxb s ASP 49 N -3.46 4.35 0.29 3.68 3.68 -1.26 -3.31 116.67 120.63 2jxb s ASP 49 Ca 0.33 -0.25 0.02 0.00 2.13 0.00 0.00 52.55 54.78 2jxb s ASP 49 Cb 0.07 -1.69 -0.05 0.00 -1.45 0.00 0.00 42.92 39.79 2jxb s ASP 49 CO 0.13 0.15 0.09 0.27 0.13 0.00 0.00 175.17 175.95 2jxb s ILE 50 N 0.44 0.75 0.34 4.11 -4.36 -0.30 -4.97 121.20 117.21 2jxb s ILE 50 Ca -0.07 -2.00 0.09 0.00 -0.26 0.00 0.00 60.65 58.41 2jxb s ILE 50 Cb -0.15 -2.68 -0.05 0.00 1.25 0.00 0.00 42.46 40.83 2jxb s ILE 50 CO 0.04 0.00 0.03 -0.75 0.24 0.00 0.00 174.94 174.50 2jxb s LYS 51 N -3.97 2.12 0.20 0.37 2.20 -1.26 -1.19 119.74 118.21 2jxb s LYS 51 Ca 0.37 -1.72 -0.32 0.00 -0.36 0.00 0.00 55.97 53.94 2jxb s LYS 51 Cb 0.08 -1.96 -0.15 0.00 -1.51 0.00 0.00 37.83 34.29 2jxb s LYS 51 CO 0.14 0.14 1.29 0.36 -0.36 0.00 0.00 175.35 176.92 2jxb n LYS 52 N -0.98 1.59 -2.80 4.03 2.85 -1.26 -3.20 118.16 118.38 2jxb n LYS 52 Ca -0.04 0.57 -0.03 0.00 -1.05 0.00 0.00 58.31 57.76 2jxb n LYS 52 Cb 0.62 -2.15 0.01 0.00 -0.65 0.00 0.00 35.03 32.87 2jxb n LYS 52 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2jxb n ASN 53 N 2.13 -6.52 -3.93 -5.58 5.15 -1.07 -4.88 115.26 100.55 2jxb n ASN 53 Ca 0.14 -0.17 -0.28 0.00 -0.60 0.00 0.00 54.58 53.67 2jxb n ASN 53 Cb 0.28 -4.47 -0.17 0.00 -0.53 0.00 0.00 39.78 34.89 2jxb n ASN 53 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2jxb s GLU 54 N -3.24 1.71 0.00 1.20 8.01 -1.20 -4.95 118.70 120.24 2jxb s GLU 54 Ca 0.08 -0.34 -0.06 0.00 0.01 0.00 0.00 54.97 54.65 2jxb s GLU 54 Cb -0.01 -1.74 -0.05 0.00 -4.31 0.00 0.00 34.13 28.02 2jxb s GLU 54 CO 0.61 -0.27 0.26 -0.98 0.01 0.00 0.00 175.26 174.89 2jxb s ARG 55 N 1.65 3.57 0.32 1.61 1.70 -1.26 -1.50 118.95 125.05 2jxb s ARG 55 Ca 0.05 -0.08 -0.03 0.00 -0.47 0.00 0.00 55.73 55.20 2jxb s ARG 55 Cb -0.13 -3.08 -0.00 0.00 -0.57 0.00 0.00 34.95 31.17 2jxb s ARG 55 CO -0.09 0.65 0.44 -0.51 -1.08 0.00 0.00 175.30 174.71 2jxb s LEU 56 N -1.74 1.01 -0.44 -1.89 1.02 -0.76 -4.90 118.68 110.97 2jxb s LEU 56 Ca 0.27 -1.45 -0.20 0.00 0.02 0.00 0.00 54.13 52.77 2jxb s LEU 56 Cb -0.13 1.36 0.03 0.00 0.02 0.00 0.00 46.19 47.47 2jxb s LEU 56 CO 0.16 -1.24 0.62 0.26 0.02 0.00 0.00 176.35 176.17 2jxb s TRP 57 N -3.25 3.07 0.03 0.29 0.51 0.55 -2.51 118.94 117.63 2jxb s TRP 57 Ca 0.31 -0.15 -0.30 0.00 -2.12 0.00 0.00 56.10 53.84 2jxb s TRP 57 Cb 0.00 -3.31 -0.07 0.00 -0.81 0.00 0.00 33.47 29.28 2jxb s TRP 57 CO 0.19 -0.87 1.66 -0.51 -0.51 0.00 0.00 176.95 176.91 2jxb s LEU 58 N 2.73 4.35 0.00 2.99 1.43 0.90 -0.65 118.68 130.44 2jxb s LEU 58 Ca 0.21 2.40 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 2jxb s LEU 58 Cb -0.15 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2jxb s LEU 58 CO 0.18 -0.90 0.00 0.18 0.23 0.00 0.00 176.35 176.04 2jxb n LEU 59 N 6.18 0.00 -3.86 1.79 4.77 0.15 -4.22 117.00 121.81 2jxb n LEU 59 Ca 0.16 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 2jxb n LEU 59 Cb 0.41 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 2jxb n LEU 59 CO 0.63 -0.50 -0.36 -0.62 -1.33 0.00 0.00 177.39 175.21 2jxb s ASP 60 N -3.99 4.02 -0.66 -1.43 2.15 -1.12 -4.87 116.67 110.77 2jxb s ASP 60 Ca 0.00 -1.53 0.06 0.00 0.43 0.00 0.00 52.55 51.51 2jxb s ASP 60 Cb 0.00 -1.10 0.23 0.00 -0.30 0.00 0.00 42.92 41.75 2jxb s ASP 60 CO 0.00 -0.34 0.70 -0.90 -0.17 0.00 0.00 175.17 174.45 2jxb n ASP 61 N 4.69 3.63 -0.07 -0.34 5.68 -1.26 -2.09 116.55 126.78 2jxb n ASP 61 Ca -0.05 -3.39 -0.14 0.00 -0.50 0.00 0.00 54.79 50.71 2jxb n ASP 61 Cb 0.43 -0.70 -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 1.12 1.04 -4.41 -1.12 7.64 -1.26 -5.03 113.62 111.61 2jxb n SER 62 Ca 0.27 0.15 -0.27 0.00 1.01 0.00 0.00 58.87 60.03 2jxb n SER 62 Cb 0.39 -0.38 0.15 0.00 -1.01 0.00 0.00 64.21 63.36 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 1.17 0.41 1.43 1.02 -1.26 -4.94 119.74 115.32 2jxb s LYS 63 Ca -0.19 -0.65 0.20 0.00 0.02 0.00 0.00 55.97 55.35 2jxb s LYS 63 Cb 0.07 -2.05 1.14 0.00 -0.52 0.00 0.00 37.83 36.47 2jxb s LYS 63 CO 0.24 -1.95 1.77 0.00 -0.92 0.00 0.00 175.35 174.48 2jxb h THR 64 N -1.14 0.50 -2.88 2.17 1.03 -1.93 -3.39 112.91 107.26 2jxb h THR 64 Ca -0.41 -0.12 -0.64 0.00 -0.01 0.00 0.00 66.41 65.22 2jxb h THR 64 Cb 1.25 0.11 -0.08 0.00 -1.07 0.00 0.00 68.15 68.36 2jxb h THR 64 CO 0.41 0.07 -0.41 0.26 -0.01 0.00 0.00 175.52 175.84 2jxb s TRP 65 N -5.46 3.58 0.21 0.00 0.52 -1.26 -2.25 118.94 114.28 2jxb s TRP 65 Ca -0.08 0.60 0.08 0.00 0.02 0.00 0.00 56.10 56.72 2jxb s TRP 65 Cb 0.25 -2.09 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 2jxb s TRP 65 CO 0.80 0.59 -0.01 -1.58 0.02 0.00 0.00 176.95 176.78 2jxb s TRP 66 N -0.65 2.78 -0.20 -1.98 0.51 -0.41 -4.51 118.94 114.47 2jxb s TRP 66 Ca 0.16 -0.18 0.01 0.00 -2.12 0.00 0.00 56.10 53.98 2jxb s TRP 66 Cb -0.13 -1.31 0.04 0.00 -0.81 0.00 0.00 33.47 31.26 2jxb s TRP 66 CO 0.05 0.55 -0.15 0.50 -0.51 0.00 0.00 176.95 177.39 2jxb s ARG 67 N -3.20 2.51 0.34 4.98 3.52 -0.89 -1.56 118.95 124.65 2jxb s ARG 67 Ca 0.29 -0.95 0.08 0.00 -0.13 0.00 0.00 55.73 55.01 2jxb s ARG 67 Cb -0.08 -2.59 -0.07 0.00 -1.56 0.00 0.00 34.95 30.65 2jxb s ARG 67 CO 0.19 -0.36 -0.05 0.14 -0.81 0.00 0.00 175.30 174.41 2jxb s VAL 68 N 1.28 1.97 0.11 7.11 -7.23 -1.16 0.34 120.40 122.83 2jxb s VAL 68 Ca -0.00 -2.12 0.10 0.00 -1.81 0.00 0.00 61.98 58.14 2jxb s VAL 68 Cb -0.16 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.05 2jxb s VAL 68 CO -0.10 -0.16 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.70 2jxb s ARG 69 N -3.68 1.28 0.55 4.82 3.52 0.18 -2.44 118.95 123.17 2jxb s ARG 69 Ca 0.33 -1.25 0.08 0.00 -0.13 0.00 0.00 55.73 54.75 2jxb s ARG 69 Cb 0.05 -1.66 0.08 0.00 -1.56 0.00 0.00 34.95 31.86 2jxb s ARG 69 CO 0.16 0.39 0.64 0.27 -0.81 0.00 0.00 175.30 175.95 2jxb n ASN 70 N 1.03 2.25 0.19 -2.12 6.94 -0.76 -0.33 115.26 122.47 2jxb n ASN 70 Ca -0.19 -2.59 0.14 0.00 -0.02 0.00 0.00 54.58 51.92 2jxb n ASN 70 Cb 0.53 -0.28 0.68 0.00 -2.36 0.00 0.00 39.78 38.35 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 0.32 1.00 -0.09 -2.53 0.00 -1.90 -0.81 119.26 115.25 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 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2jxb h ALA 71 CO 0.42 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.67 2jxb n ALA 72 N -1.85 2.54 -1.17 0.00 0.00 -1.26 -4.86 120.51 113.90 2jxb n ALA 72 Ca -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.12 2jxb n ALA 72 Cb 0.11 -1.13 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 -0.27 -5.00 -4.84 0.00 3.02 -0.31 -4.97 115.26 102.89 2jxb n ASN 73 Ca 0.11 0.15 -0.37 0.00 -0.03 0.00 0.00 54.58 54.43 2jxb n ASN 73 Cb 0.15 -3.03 -0.06 0.00 -0.61 0.00 0.00 39.78 36.23 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 -2.16 3.86 -0.07 3.52 6.06 -1.26 -4.88 118.95 124.02 2jxb s ARG 74 Ca 0.00 0.34 0.03 0.00 -2.50 0.00 0.00 55.73 53.60 2jxb s ARG 74 Cb 0.00 -3.17 -0.02 0.00 0.06 0.00 0.00 34.95 31.82 2jxb s ARG 74 CO 0.00 0.67 -0.15 0.95 -2.50 0.00 0.00 175.30 174.27 2jxb s THR 75 N -1.14 2.94 0.10 4.11 -4.23 -1.26 -1.82 115.64 114.33 2jxb s THR 75 Ca 0.25 -0.75 -0.09 0.00 -1.18 0.00 0.00 61.69 59.93 2jxb s THR 75 Cb -0.16 -2.17 -0.00 0.00 1.34 0.00 0.00 72.50 71.51 2jxb s THR 75 CO 0.14 0.57 0.20 -0.83 -0.54 0.00 0.00 174.62 174.16 2jxb s GLY 76 N -0.36 0.14 0.19 3.99 0.00 -1.02 -4.97 107.32 105.28 2jxb s GLY 76 Ca 0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 2jxb s GLY 76 CO 0.02 -0.81 0.52 -0.19 0.00 0.00 0.00 173.10 172.65 2jxb s TYR 77 N -3.87 3.49 -0.07 1.90 1.51 -1.19 -2.97 117.35 116.15 2jxb s TYR 77 Ca 0.07 0.90 -0.22 0.00 -1.01 0.00 0.00 57.07 56.80 2jxb s TYR 77 Cb 0.05 -2.26 0.05 0.00 -0.11 0.00 0.00 41.96 39.68 2jxb s TYR 77 CO -0.10 0.35 0.50 0.14 -1.11 0.00 0.00 175.55 175.34 2jxb s VAL 78 N -1.67 0.02 -0.00 0.71 -7.23 -0.60 -2.34 120.40 109.29 2jxb s VAL 78 Ca 0.43 -0.19 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 2jxb s VAL 78 Cb -0.13 -0.79 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 2jxb s VAL 78 CO 0.20 -0.10 1.45 -2.16 -0.31 0.00 0.00 175.10 174.18 2jxb s PRO 79 N -0.94 4.26 0.42 4.82 0.04 -1.26 -1.29 135.00 141.05 2jxb s PRO 79 Ca -0.10 2.02 0.29 0.00 0.04 0.00 0.00 61.00 63.25 2jxb s PRO 79 Cb -0.03 -3.62 1.51 0.00 0.04 0.00 0.00 34.50 32.40 2jxb s PRO 79 CO 0.06 -0.63 1.88 1.03 0.04 0.00 0.00 177.00 179.38 2jxb h SER 80 N 8.07 0.00 0.26 6.66 0.87 -1.78 -1.26 113.55 126.37 2jxb h SER 80 Ca -0.38 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.06 2jxb h SER 80 Cb 1.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2jxb h SER 80 CO 0.91 0.00 -0.47 0.78 -0.53 0.00 0.00 176.83 177.53 2jxb h ASN 81 N 0.00 0.27 -0.26 6.23 4.21 -1.90 -2.72 115.58 121.41 2jxb h ASN 81 Ca 0.00 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.38 2jxb h ASN 81 Cb 0.07 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 2jxb h ASN 81 CO 0.00 0.70 0.00 -1.22 -1.29 0.00 0.00 177.43 175.62 2jxb n TYR 82 N -3.98 0.32 -4.41 1.19 4.01 -0.49 -4.92 117.16 108.89 2jxb n TYR 82 Ca -0.02 -0.16 -0.22 0.00 -0.16 0.00 0.00 57.90 57.34 2jxb n TYR 82 Cb 0.52 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.45 2jxb n TYR 82 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jxb s VAL 83 N -1.68 2.12 -0.30 -0.72 0.11 -1.03 -0.22 120.40 118.68 2jxb s VAL 83 Ca 0.35 -2.28 -0.10 0.00 -2.93 0.00 0.00 61.98 57.02 2jxb s VAL 83 Cb 0.21 -2.15 0.14 0.00 -1.53 0.00 0.00 36.38 33.04 2jxb s VAL 83 CO 0.30 -0.46 0.70 -0.70 -3.33 0.00 0.00 175.10 171.60 2jxb s GLU 84 N -3.48 0.54 0.00 1.54 2.12 0.11 -4.71 118.70 114.83 2jxb s GLU 84 Ca 0.25 1.33 -0.34 0.00 0.36 0.00 0.00 54.97 56.57 2jxb s GLU 84 Cb -0.03 0.80 -0.13 0.00 0.26 0.00 0.00 34.13 35.03 2jxb s GLU 84 CO 0.11 -0.21 1.77 0.54 -0.54 0.00 0.00 175.26 176.93 2jxb n ARG 85 N 5.38 2.16 0.00 4.30 3.00 -1.26 -2.15 116.66 128.09 2jxb n ARG 85 Ca -0.11 0.79 0.00 0.00 -0.01 0.00 0.00 57.85 58.52 2jxb n ARG 85 Cb 0.50 -2.61 0.00 0.00 0.00 0.00 0.00 32.46 30.35 2jxb n ARG 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26