#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxt n LYS 2 N 0.00 -1.74 -2.49 3.17 5.02 -1.26 -4.93 118.16 115.93 2jxt n LYS 2 Ca 0.00 0.88 -0.40 0.00 -2.02 0.00 0.00 58.31 56.76 2jxt n LYS 2 Cb 0.00 -5.39 -0.04 0.00 -0.02 0.00 0.00 35.03 29.57 2jxt n LYS 2 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2jxt s MET 3 N -4.45 4.65 0.05 1.97 1.75 -1.26 -4.97 119.30 117.04 2jxt s MET 3 Ca 0.00 1.78 -0.30 0.00 -1.25 0.00 0.00 55.69 55.92 2jxt s MET 3 Cb 0.00 -3.20 -0.08 0.00 2.84 0.00 0.00 34.83 34.39 2jxt s MET 3 CO 0.00 0.22 1.72 0.21 -0.65 0.00 0.00 175.02 176.52 2jxt s LYS 4 N -1.34 4.18 0.74 4.11 2.36 -1.26 -4.91 119.74 123.61 2jxt s LYS 4 Ca 0.45 2.39 -0.14 0.00 -2.55 0.00 0.00 55.97 56.11 2jxt s LYS 4 Cb -0.31 -3.73 0.04 0.00 -1.05 0.00 0.00 37.83 32.78 2jxt s LYS 4 CO 0.40 -0.80 1.17 -0.08 1.55 0.00 0.00 175.35 177.59 2jxt s THR 5 N 3.11 2.54 0.19 3.43 -1.32 -1.26 -4.91 115.64 117.42 2jxt s THR 5 Ca 0.77 0.25 0.10 0.00 -1.21 0.00 0.00 61.69 61.59 2jxt s THR 5 Cb -0.40 -2.73 -0.04 0.00 -1.51 0.00 0.00 72.50 67.81 2jxt s THR 5 CO 0.34 -0.16 -0.21 -0.54 -2.21 0.00 0.00 174.62 171.84 2jxt s LYS 6 N -4.10 1.41 -0.26 7.08 1.02 0.07 -4.90 119.74 120.06 2jxt s LYS 6 Ca 0.71 -1.49 -0.14 0.00 0.02 0.00 0.00 55.97 55.07 2jxt s LYS 6 Cb -0.26 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.44 2jxt s LYS 6 CO 0.47 0.33 0.33 0.42 -0.92 0.00 0.00 175.35 175.97 2jxt s ILE 7 N -1.94 5.22 -0.21 2.17 1.09 -1.22 -0.16 121.20 126.15 2jxt s ILE 7 Ca 0.19 0.49 -0.04 0.00 -1.10 0.00 0.00 60.65 60.20 2jxt s ILE 7 Cb -0.06 -3.66 -0.01 0.00 -1.06 0.00 0.00 42.46 37.66 2jxt s ILE 7 CO 0.09 0.20 -0.04 -0.36 -0.10 0.00 0.00 174.94 174.73 2jxt s PHE 8 N 1.82 2.96 -0.68 3.97 0.08 0.22 -0.88 117.98 125.46 2jxt s PHE 8 Ca 0.14 -0.81 -0.21 0.00 0.12 0.00 0.00 56.93 56.18 2jxt s PHE 8 Cb -0.15 -2.08 0.09 0.00 -0.57 0.00 0.00 43.02 40.31 2jxt s PHE 8 CO 0.09 -0.45 0.90 0.50 -0.10 0.00 0.00 175.22 176.16 2jxt s ARG 9 N 1.28 3.18 -0.21 0.44 3.52 0.13 -1.26 118.95 126.03 2jxt s ARG 9 Ca 0.03 -1.18 -0.22 0.00 -0.13 0.00 0.00 55.73 54.24 2jxt s ARG 9 Cb -0.14 -4.36 -0.02 0.00 -1.56 0.00 0.00 34.95 28.87 2jxt s ARG 9 CO -0.01 -1.71 0.67 0.08 -0.81 0.00 0.00 175.30 173.52 2jxt s VAL 10 N 3.30 4.98 -0.24 7.11 1.01 0.32 -1.05 120.40 135.83 2jxt s VAL 10 Ca 0.20 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.35 2jxt s VAL 10 Cb -0.17 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2jxt s VAL 10 CO 0.05 0.07 0.16 -0.75 0.00 0.00 0.00 175.10 174.63 2jxt s LYS 11 N 2.13 4.06 0.00 2.72 2.47 0.30 -0.88 119.74 130.55 2jxt s LYS 11 Ca 0.30 -0.27 0.00 0.00 -1.56 0.00 0.00 55.97 54.44 2jxt s LYS 11 Cb -0.16 -3.54 0.00 0.00 -1.46 0.00 0.00 37.83 32.67 2jxt s LYS 11 CO 0.10 0.05 0.00 0.41 0.16 0.00 0.00 175.35 176.07 2jxt n GLY 12 N 4.31 1.92 3.12 5.54 0.00 -0.83 -0.43 105.19 118.81 2jxt n GLY 12 Ca -0.15 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.70 2jxt n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jxt s LYS 13 N -1.51 1.22 -0.02 1.61 1.02 0.57 0.71 119.74 123.34 2jxt s LYS 13 Ca 0.00 -0.53 0.05 0.00 0.02 0.00 0.00 55.97 55.51 2jxt s LYS 13 Cb 0.00 -1.17 -0.01 0.00 -0.52 0.00 0.00 37.83 36.13 2jxt s LYS 13 CO 0.00 0.31 -0.19 -0.59 -0.92 0.00 0.00 175.35 173.97 2jxt s PHE 14 N -0.33 1.73 -0.92 3.18 -0.71 0.01 -1.35 117.98 119.59 2jxt s PHE 14 Ca 0.05 -0.38 -0.23 0.00 -1.04 0.00 0.00 56.93 55.33 2jxt s PHE 14 Cb -0.06 -1.13 0.06 0.00 -1.21 0.00 0.00 43.02 40.68 2jxt s PHE 14 CO -0.00 -0.07 1.34 -1.17 -1.34 0.00 0.00 175.22 173.97 2jxt s LEU 15 N -0.30 3.67 -0.10 -1.99 1.98 0.06 -1.85 118.68 120.14 2jxt s LEU 15 Ca 0.04 -1.26 0.01 0.00 -2.89 0.00 0.00 54.13 50.03 2jxt s LEU 15 Cb -0.09 -2.54 -0.02 0.00 0.66 0.00 0.00 46.19 44.21 2jxt s LEU 15 CO 0.00 -1.53 -0.13 -0.32 -1.89 0.00 0.00 176.35 172.48 2jxt s MET 16 N 4.82 3.08 -1.57 1.98 1.75 0.54 -4.59 119.30 125.32 2jxt s MET 16 Ca 0.40 -0.68 -0.03 0.00 -1.25 0.00 0.00 55.69 54.13 2jxt s MET 16 Cb -0.04 -2.56 0.00 0.00 2.84 0.00 0.00 34.83 35.08 2jxt s MET 16 CO -0.03 0.37 0.42 0.41 -0.65 0.00 0.00 175.02 175.55 2jxt n GLY 17 N 3.07 -0.47 2.75 2.11 0.00 -1.26 -1.10 105.19 110.28 2jxt n GLY 17 Ca -0.18 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 2jxt n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jxt n ASP 18 N -2.22 -5.26 -4.45 1.61 8.00 -1.26 -4.98 116.55 107.98 2jxt n ASP 18 Ca -0.15 0.01 -0.23 0.00 0.71 0.00 0.00 54.79 55.14 2jxt n ASP 18 Cb 0.64 -2.82 -0.10 0.00 -0.02 0.00 0.00 41.12 38.82 2jxt n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2jxt s LYS 19 N -1.59 1.62 -0.39 -1.24 1.02 -0.26 -5.09 119.74 113.81 2jxt s LYS 19 Ca 0.00 -1.76 -0.16 0.00 0.02 0.00 0.00 55.97 54.07 2jxt s LYS 19 Cb 0.00 -1.59 0.01 0.00 -0.52 0.00 0.00 37.83 35.73 2jxt s LYS 19 CO 0.00 0.25 0.37 -0.51 -0.92 0.00 0.00 175.35 174.54 2jxt s LEU 20 N -3.48 4.77 -0.16 3.17 1.43 -1.26 -0.34 118.68 122.81 2jxt s LEU 20 Ca 0.29 -0.58 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2jxt s LEU 20 Cb -0.02 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 2jxt s LEU 20 CO 0.13 -0.46 -0.06 -1.10 0.23 0.00 0.00 176.35 175.10 2jxt s GLN 21 N 1.97 3.58 -0.30 1.70 1.11 -0.77 -4.93 119.66 122.01 2jxt s GLN 21 Ca 0.10 -0.57 -0.29 0.00 0.01 0.00 0.00 55.36 54.61 2jxt s GLN 21 Cb -0.17 -2.87 0.01 0.00 -1.01 0.00 0.00 33.01 28.97 2jxt s GLN 21 CO 0.12 0.18 1.12 -1.25 0.01 0.00 0.00 175.29 175.48 2jxt s PRO 22 N 0.50 4.06 0.45 2.91 0.04 -1.26 -0.81 135.00 140.89 2jxt s PRO 22 Ca -0.05 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.22 2jxt s PRO 22 Cb -0.15 -3.76 0.02 0.00 0.04 0.00 0.00 34.50 30.66 2jxt s PRO 22 CO 0.03 -0.92 0.60 -0.59 0.04 0.00 0.00 177.00 176.16 2jxt s PHE 23 N 3.76 2.49 -0.29 0.56 -0.12 0.22 -4.94 117.98 119.66 2jxt s PHE 23 Ca 0.48 -0.48 -0.01 0.00 -0.05 0.00 0.00 56.93 56.87 2jxt s PHE 23 Cb -0.14 -2.32 0.13 0.00 -0.63 0.00 0.00 43.02 40.06 2jxt s PHE 23 CO 0.16 -0.56 0.28 0.99 -0.05 0.00 0.00 175.22 176.05 2jxt s THR 24 N -2.43 -0.38 -0.17 -4.49 2.01 -1.26 -1.97 115.64 106.95 2jxt s THR 24 Ca 0.56 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 2jxt s THR 24 Cb -0.08 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 2jxt s THR 24 CO 0.34 -0.48 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.15 2jxt s LYS 25 N 2.34 3.36 -0.13 4.92 -0.14 -0.05 -4.89 119.74 125.15 2jxt s LYS 25 Ca 0.09 -0.66 -0.18 0.00 -1.36 0.00 0.00 55.97 53.86 2jxt s LYS 25 Cb -0.14 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 33.17 2jxt s LYS 25 CO -0.33 0.00 0.49 -1.21 -0.76 0.00 0.00 175.35 173.54 2jxt s GLU 26 N 0.92 4.32 0.02 1.68 2.02 -1.26 -0.52 118.70 125.88 2jxt s GLU 26 Ca -0.02 0.45 -0.13 0.00 0.02 0.00 0.00 54.97 55.29 2jxt s GLU 26 Cb -0.15 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.64 2jxt s GLU 26 CO -0.00 0.11 0.28 -0.48 0.02 0.00 0.00 175.26 175.19 2jxt s LEU 27 N 0.78 0.96 -0.08 1.80 2.34 -0.39 -4.89 118.68 119.20 2jxt s LEU 27 Ca 0.26 -0.13 -0.20 0.00 0.06 0.00 0.00 54.13 54.12 2jxt s LEU 27 Cb -0.15 1.25 -0.04 0.00 -0.56 0.00 0.00 46.19 46.68 2jxt s LEU 27 CO 0.10 -0.55 0.56 0.54 -1.06 0.00 0.00 176.35 175.95 2jxt s ASN 28 N -1.82 6.83 0.18 1.48 4.22 -1.26 -0.61 114.94 123.97 2jxt s ASN 28 Ca -0.08 0.99 -0.18 0.00 -2.14 0.00 0.00 52.86 51.45 2jxt s ASN 28 Cb -0.02 -2.34 0.03 0.00 1.28 0.00 0.00 41.25 40.20 2jxt s ASN 28 CO -0.01 -0.01 0.51 0.00 -2.04 0.00 0.00 177.10 175.56 2jxt s ALA 29 N 0.49 -0.97 -0.03 3.54 0.00 0.77 -4.90 121.76 120.66 2jxt s ALA 29 Ca 0.30 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.94 2jxt s ALA 29 Cb -0.16 0.84 -0.33 0.00 0.00 0.00 0.00 23.12 23.47 2jxt s ALA 29 CO 0.14 -0.78 0.84 0.82 0.00 0.00 0.00 175.76 176.77 2jxt h ILE 30 N 2.20 1.23 -3.00 0.00 5.03 -1.91 0.25 117.51 121.31 2jxt h ILE 30 Ca -0.30 -2.58 -0.08 0.00 -0.12 0.00 0.00 64.86 61.78 2jxt h ILE 30 Cb 1.26 2.98 -0.01 0.00 -3.03 0.00 0.00 36.82 38.02 2jxt h ILE 30 CO 0.38 0.78 0.10 -2.11 -0.68 0.00 0.00 178.15 176.63 2jxt n ARG 31 N -3.82 0.74 -0.18 2.37 0.00 -1.26 -4.83 116.66 109.68 2jxt n ARG 31 Ca -0.19 -1.81 0.00 0.00 -0.00 0.00 0.00 57.85 55.85 2jxt n ARG 31 Cb 1.00 2.06 0.25 0.00 -0.00 0.00 0.00 32.46 35.77 2jxt n ARG 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 2jxt h GLU 32 N 0.00 0.92 -0.82 2.89 5.08 -1.99 -2.37 114.58 118.28 2jxt h GLU 32 Ca -0.24 -0.08 0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2jxt h GLU 32 Cb 0.91 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.87 2jxt h GLU 32 CO 0.30 0.65 0.39 0.93 -1.00 0.00 0.00 179.01 180.29 2jxt h GLU 33 N 0.94 0.54 -0.51 2.33 3.07 -2.00 -0.03 114.58 118.90 2jxt h GLU 33 Ca 0.24 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.99 2jxt h GLU 33 Cb -0.03 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.74 2jxt h GLU 33 CO -0.05 0.36 -0.01 0.93 -1.40 0.00 0.00 179.01 178.85 2jxt h GLU 34 N 0.56 0.91 -0.00 2.33 4.39 -1.85 -3.16 114.58 117.76 2jxt h GLU 34 Ca 0.45 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2jxt h GLU 34 Cb 0.67 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2jxt h GLU 34 CO -0.38 0.94 -0.02 0.82 -1.16 0.00 0.00 179.01 179.21 2jxt h ILE 35 N 0.78 0.94 -0.16 3.13 2.04 -0.90 -1.91 117.51 121.42 2jxt h ILE 35 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.06 2jxt h ILE 35 Cb 0.53 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 2jxt h ILE 35 CO 0.03 0.00 -0.29 1.88 0.00 0.00 0.00 178.15 179.77 2jxt h TYR 36 N -0.04 -0.80 -0.32 1.37 0.05 -1.10 0.79 116.97 116.94 2jxt h TYR 36 Ca 0.01 0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.84 2jxt h TYR 36 Cb 0.05 0.38 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 2jxt h TYR 36 CO -0.10 -0.37 0.19 0.93 -1.05 0.00 0.00 178.16 177.76 2jxt h GLU 37 N -0.35 0.37 0.00 4.88 5.08 -1.50 -2.26 114.58 120.81 2jxt h GLU 37 Ca 0.11 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2jxt h GLU 37 Cb 0.51 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2jxt h GLU 37 CO -0.36 0.25 -0.74 0.00 -1.00 0.00 0.00 179.01 177.16 2jxt h ARG 38 N 0.38 0.00 0.19 2.33 2.47 -0.99 -1.15 114.38 117.61 2jxt h ARG 38 Ca 0.12 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.83 2jxt h ARG 38 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2jxt h ARG 38 CO -0.05 0.74 -0.09 -0.07 0.56 0.00 0.00 179.97 181.05 2jxt h LEU 39 N 0.00 -0.22 -1.11 3.04 3.38 -0.78 0.24 115.31 119.86 2jxt h LEU 39 Ca -0.01 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.85 2jxt h LEU 39 Cb 1.34 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 42.07 2jxt h LEU 39 CO 0.10 0.11 0.61 1.88 0.09 0.00 0.00 178.44 181.23 2jxt h TYR 40 N -0.57 1.05 -0.27 1.13 0.05 -1.37 -1.03 116.97 115.96 2jxt h TYR 40 Ca -0.03 0.03 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 2jxt h TYR 40 Cb 0.42 -0.34 -0.00 0.00 1.01 0.00 0.00 36.73 37.83 2jxt h TYR 40 CO 0.02 0.46 -0.52 1.03 -1.05 0.00 0.00 178.16 178.10 2jxt h SER 41 N 0.95 0.86 0.75 3.88 0.87 -1.16 -2.71 113.55 116.99 2jxt h SER 41 Ca 0.45 -0.45 -0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2jxt h SER 41 Cb 0.44 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.16 2jxt h SER 41 CO -0.21 1.22 -0.36 -0.08 -0.53 0.00 0.00 176.83 176.87 2jxt h GLU 42 N 0.61 -0.97 -0.84 2.24 4.81 0.64 0.17 114.58 121.23 2jxt h GLU 42 Ca 0.02 0.07 0.11 0.00 -0.13 0.00 0.00 59.36 59.43 2jxt h GLU 42 Cb 1.11 0.22 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 2jxt h GLU 42 CO 0.11 -0.63 0.47 0.74 -0.73 0.00 0.00 179.01 178.97 2jxt h PHE 43 N -1.09 0.84 -0.66 0.92 -1.00 -1.35 -0.01 116.94 114.59 2jxt h PHE 43 Ca -0.10 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.62 2jxt h PHE 43 Cb 0.79 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 40.07 2jxt h PHE 43 CO -0.01 0.30 0.07 0.78 -1.61 0.00 0.00 178.31 177.84 2jxt h GLY 44 N 0.75 1.20 0.08 -1.45 0.00 -1.19 0.36 103.07 102.83 2jxt h GLY 44 Ca 0.42 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 2jxt h GLY 44 CO -0.28 0.77 -0.04 0.23 0.00 0.00 0.00 176.54 177.22 2jxt h SER 45 N 1.03 -0.09 1.21 0.19 0.87 0.26 -2.99 113.55 114.03 2jxt h SER 45 Ca 0.19 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 2jxt h SER 45 Cb 0.49 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 2jxt h SER 45 CO 0.02 0.11 -0.82 0.07 -0.53 0.00 0.00 176.83 175.68 2jxt h LYS 46 N -0.47 0.00 0.00 2.24 2.10 -1.20 -3.35 116.57 115.89 2jxt h LYS 46 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2jxt h LYS 46 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2jxt h LYS 46 CO 0.02 0.48 -0.56 1.58 -2.00 0.00 0.00 179.45 178.97 2jxt n HIS 47 N -3.13 0.00 -1.95 0.07 -0.00 -0.78 -5.00 115.22 104.43 2jxt n HIS 47 Ca -0.02 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.96 2jxt n HIS 47 Cb 0.79 -0.01 -0.05 0.00 -0.12 0.00 0.00 29.99 30.59 2jxt n HIS 47 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jxt n ARG 48 N -1.28 -1.50 -3.50 1.57 1.74 0.10 -4.92 116.66 108.87 2jxt n ARG 48 Ca 0.02 1.11 -0.37 0.00 -0.77 0.00 0.00 57.85 57.84 2jxt n ARG 48 Cb 0.17 -5.59 -0.08 0.00 -1.02 0.00 0.00 32.46 25.95 2jxt n ARG 48 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jxt s VAL 49 N -2.87 5.27 0.35 1.55 1.01 0.11 -4.89 120.40 120.94 2jxt s VAL 49 Ca 0.00 0.55 -0.29 0.00 0.00 0.00 0.00 61.98 62.25 2jxt s VAL 49 Cb 0.00 -3.65 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 2jxt s VAL 49 CO 0.00 0.33 1.45 -2.16 0.00 0.00 0.00 175.10 174.72 2jxt s PRO 50 N 0.87 4.19 0.54 2.72 0.04 -1.26 -2.54 135.00 139.56 2jxt s PRO 50 Ca 0.16 2.46 0.20 0.00 0.04 0.00 0.00 61.00 63.87 2jxt s PRO 50 Cb -0.14 -3.01 1.42 0.00 0.04 0.00 0.00 34.50 32.82 2jxt s PRO 50 CO 0.05 -0.44 2.16 0.07 0.04 0.00 0.00 177.00 178.88 2jxt h ARG 51 N 3.39 0.00 -0.02 4.56 0.11 -1.95 0.21 114.38 120.68 2jxt h ARG 51 Ca -0.50 0.00 0.01 0.00 0.10 0.00 0.00 59.98 59.59 2jxt h ARG 51 Cb 1.23 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.31 2jxt h ARG 51 CO 0.67 0.00 0.07 1.03 0.10 0.00 0.00 179.97 181.84 2jxt h SER 52 N 0.00 0.00 -0.63 0.08 0.87 -1.97 -1.30 113.55 110.60 2jxt h SER 52 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2jxt h SER 52 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2jxt h SER 52 CO -0.00 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.59 2jxt n LYS 53 N -3.25 3.92 -4.50 2.24 4.76 0.06 -4.89 118.16 116.50 2jxt n LYS 53 Ca -0.02 -2.94 -0.31 0.00 -2.87 0.00 0.00 58.31 52.17 2jxt n LYS 53 Cb 0.14 -1.95 -0.17 0.00 -1.84 0.00 0.00 35.03 31.22 2jxt n LYS 53 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2jxt s VAL 54 N -2.01 1.79 -0.01 -0.18 1.01 -0.49 -0.76 120.40 119.74 2jxt s VAL 54 Ca 0.52 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2jxt s VAL 54 Cb 0.34 -1.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 2jxt s VAL 54 CO 0.23 0.50 -0.07 -0.75 0.00 0.00 0.00 175.10 175.01 2jxt s LYS 55 N 0.97 0.60 0.04 2.72 2.20 -0.46 -5.01 119.74 120.80 2jxt s LYS 55 Ca -0.05 -0.24 -0.10 0.00 -0.36 0.00 0.00 55.97 55.23 2jxt s LYS 55 Cb -0.15 -0.58 -0.05 0.00 -1.51 0.00 0.00 37.83 35.53 2jxt s LYS 55 CO -0.03 0.13 0.36 0.42 -0.36 0.00 0.00 175.35 175.86 2jxt s ILE 56 N -0.05 5.16 -0.22 5.43 1.01 -1.26 -0.31 121.20 130.95 2jxt s ILE 56 Ca 0.01 0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.92 2jxt s ILE 56 Cb -0.04 -3.62 -0.09 0.00 0.01 0.00 0.00 42.46 38.72 2jxt s ILE 56 CO -0.00 0.36 -0.35 -0.62 0.00 0.00 0.00 174.94 174.33 2jxt n GLU 57 N 1.13 0.55 -3.67 2.79 1.02 0.43 -4.89 120.64 118.00 2jxt n GLU 57 Ca -0.10 0.23 -0.13 0.00 -0.02 0.00 0.00 57.16 57.14 2jxt n GLU 57 Cb 0.53 -1.45 -0.08 0.00 -0.02 0.00 0.00 31.44 30.41 2jxt n GLU 57 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2jxt s GLU 58 N -2.72 0.67 -0.20 3.49 2.12 -0.39 -5.03 118.70 116.65 2jxt s GLU 58 Ca -0.33 0.83 -0.04 0.00 0.36 0.00 0.00 54.97 55.79 2jxt s GLU 58 Cb 0.09 0.31 -0.02 0.00 0.26 0.00 0.00 34.13 34.77 2jxt s GLU 58 CO 0.45 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.47 2jxt s ILE 59 N 0.41 3.61 -0.13 -3.70 1.01 -1.26 -0.54 121.20 120.60 2jxt s ILE 59 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 2jxt s ILE 59 Cb -0.04 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 2jxt s ILE 59 CO -0.01 0.44 0.22 -0.70 0.00 0.00 0.00 174.94 174.89 2jxt s GLU 60 N 1.11 3.87 -0.25 2.79 2.56 -0.21 -4.95 118.70 123.62 2jxt s GLU 60 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 54.97 54.91 2jxt s GLU 60 Cb -0.15 -3.30 -0.03 0.00 2.00 0.00 0.00 34.13 32.65 2jxt s GLU 60 CO 0.00 0.53 0.08 -2.00 -0.56 0.00 0.00 175.26 173.32 2jxt s GLU 61 N -0.39 3.70 0.11 4.30 2.12 -1.26 0.22 118.70 127.51 2jxt s GLU 61 Ca 0.15 -0.45 0.06 0.00 0.36 0.00 0.00 54.97 55.09 2jxt s GLU 61 Cb -0.13 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2jxt s GLU 61 CO 0.04 -0.15 -0.14 0.96 -0.54 0.00 0.00 175.26 175.43 2jxt s ILE 62 N 1.53 1.31 0.56 -3.70 -4.36 -0.06 -4.99 121.20 111.49 2jxt s ILE 62 Ca 0.06 -1.66 -0.16 0.00 -0.26 0.00 0.00 60.65 58.63 2jxt s ILE 62 Cb -0.15 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.03 2jxt s ILE 62 CO 0.04 -0.38 1.04 -0.44 0.24 0.00 0.00 174.94 175.44 2jxt s SER 63 N -2.35 6.07 0.24 4.36 0.01 -1.26 -3.36 113.70 117.41 2jxt s SER 63 Ca 0.07 1.76 -0.05 0.00 1.31 0.00 0.00 55.95 59.05 2jxt s SER 63 Cb -0.06 -2.53 0.44 0.00 0.21 0.00 0.00 66.02 64.08 2jxt s SER 63 CO 0.03 -0.97 1.71 -0.65 0.41 0.00 0.00 173.24 173.77 2jxt h PRO 64 N 0.69 0.36 0.00 12.44 0.11 -1.96 0.98 132.00 144.62 2jxt h PRO 64 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jxt h PRO 64 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2jxt h PRO 64 CO 0.59 0.24 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76 2jxt n GLU 65 N -5.06 0.75 0.00 1.05 0.28 -1.26 -2.71 120.64 113.68 2jxt n GLU 65 Ca 0.14 0.01 0.08 0.00 -0.16 0.00 0.00 57.16 57.22 2jxt n GLU 65 Cb 0.42 -1.50 0.04 0.00 1.43 0.00 0.00 31.44 31.83 2jxt n GLU 65 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2jxt n GLU 66 N -1.09 1.47 -2.03 3.44 -0.58 0.31 -5.01 120.64 117.15 2jxt n GLU 66 Ca 0.19 -1.22 -0.41 0.00 -0.42 0.00 0.00 57.16 55.30 2jxt n GLU 66 Cb 0.14 -1.30 -0.02 0.00 -0.57 0.00 0.00 31.44 29.69 2jxt n GLU 66 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2jxt s VAL 67 N -1.59 2.64 0.01 2.62 1.01 -1.03 -4.88 120.40 119.18 2jxt s VAL 67 Ca 0.17 0.58 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 2jxt s VAL 67 Cb 0.13 -3.37 -0.28 0.00 0.00 0.00 0.00 36.38 32.87 2jxt s VAL 67 CO 0.28 0.11 0.88 1.56 0.00 0.00 0.00 175.10 177.94 2jxt h GLN 68 N 4.32 0.24 -6.38 2.72 4.20 -1.93 -3.45 115.11 114.83 2jxt h GLN 68 Ca -0.47 -0.42 -0.54 0.00 0.06 0.00 0.00 58.65 57.27 2jxt h GLN 68 Cb 1.22 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 29.13 2jxt h GLN 68 CO 0.72 1.11 0.42 0.34 -0.67 0.00 0.00 178.83 180.76 2jxt s ASP 69 N -6.98 7.33 0.13 1.46 2.15 -1.26 -4.98 116.67 114.53 2jxt s ASP 69 Ca -0.08 1.64 -0.14 0.00 0.43 0.00 0.00 52.55 54.40 2jxt s ASP 69 Cb 0.07 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 40.11 2jxt s ASP 69 CO 0.85 -0.31 1.57 1.55 -0.17 0.00 0.00 175.17 178.66 2jxt h PRO 70 N 6.87 0.78 -0.04 4.34 0.13 -2.00 -2.64 132.00 139.45 2jxt h PRO 70 Ca -0.39 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.47 2jxt h PRO 70 Cb 1.20 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jxt h PRO 70 CO 0.78 0.87 -0.02 0.28 -0.23 0.00 0.00 178.00 179.68 2jxt h VAL 71 N 0.61 1.32 -0.95 1.56 2.07 -1.99 -0.85 116.25 118.03 2jxt h VAL 71 Ca 0.12 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2jxt h VAL 71 Cb 0.54 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.19 2jxt h VAL 71 CO 0.03 0.27 0.58 0.58 0.02 0.00 0.00 177.57 179.05 2jxt h VAL 72 N -0.31 1.26 0.13 2.57 2.07 -1.91 -0.14 116.25 119.91 2jxt h VAL 72 Ca 0.01 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.96 2jxt h VAL 72 Cb 0.44 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 2jxt h VAL 72 CO 0.01 0.27 -0.06 0.50 0.02 0.00 0.00 177.57 178.30 2jxt h LYS 73 N 1.31 -0.17 -0.73 1.57 3.64 -1.38 -2.98 116.57 117.83 2jxt h LYS 73 Ca 0.34 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.73 2jxt h LYS 73 Cb -0.06 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 2jxt h LYS 73 CO -0.06 -0.06 0.43 0.00 -2.27 0.00 0.00 179.45 177.49 2jxt h ALA 74 N 0.63 1.39 -0.61 5.00 0.00 -0.90 -0.65 119.26 124.12 2jxt h ALA 74 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2jxt h ALA 74 Cb 0.19 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 2jxt h ALA 74 CO 0.03 0.52 0.41 1.25 0.00 0.00 0.00 179.25 181.46 2jxt h LEU 75 N 1.01 0.37 0.04 0.00 6.46 -0.88 -1.57 115.31 120.75 2jxt h LEU 75 Ca 0.26 0.01 -0.28 0.00 -0.12 0.00 0.00 57.88 57.76 2jxt h LEU 75 Cb -0.03 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 2jxt h LEU 75 CO -0.05 0.22 -1.50 0.58 -0.62 0.00 0.00 178.44 177.08 2jxt h VAL 76 N 0.41 0.83 -0.00 1.05 2.07 -1.32 -3.39 116.25 115.90 2jxt h VAL 76 Ca 0.29 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.57 2jxt h VAL 76 Cb 0.57 2.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 2jxt h VAL 76 CO -0.08 0.50 0.00 1.56 0.02 0.00 0.00 177.57 179.58 2jxt h GLN 77 N -0.65 0.00 -0.85 1.57 4.20 -0.94 -2.53 115.11 115.91 2jxt h GLN 77 Ca -0.37 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.45 2jxt h GLN 77 Cb 1.55 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.26 2jxt h GLN 77 CO -0.11 0.00 0.55 0.07 -0.67 0.00 0.00 178.83 178.67 2jxt h ARG 78 N 0.00 0.73 0.00 1.46 0.11 -1.48 -2.74 114.38 112.46 2jxt h ARG 78 Ca 0.00 -0.04 -0.19 0.00 0.10 0.00 0.00 59.98 59.85 2jxt h ARG 78 Cb 0.00 -0.16 -0.03 0.00 1.11 0.00 0.00 29.97 30.89 2jxt h ARG 78 CO -0.00 0.48 -1.81 1.47 0.10 0.00 0.00 179.97 180.21 2jxt n LEU 79 N -4.53 0.44 -4.62 0.08 -0.00 -0.96 -4.87 117.00 102.53 2jxt n LEU 79 Ca 0.15 0.19 -0.43 0.00 -0.00 0.00 0.00 56.01 55.93 2jxt n LEU 79 Cb 0.38 0.18 -0.02 0.00 -0.00 0.00 0.00 43.42 43.95 2jxt n LEU 79 CO 0.31 0.21 1.13 -1.61 -0.00 0.00 0.00 177.39 177.43 2jxt s GLU 80 N -2.93 3.83 -1.11 1.47 2.02 -1.04 -4.95 118.70 116.00 2jxt s GLU 80 Ca -0.06 1.08 -0.22 0.00 0.02 0.00 0.00 54.97 55.80 2jxt s GLU 80 Cb 0.09 -3.90 0.01 0.00 0.10 0.00 0.00 34.13 30.43 2jxt s GLU 80 CO 0.84 -1.23 1.74 -1.58 0.02 0.00 0.00 175.26 175.05 2jxt s HIS 81 N 4.54 2.34 0.79 1.61 5.65 -1.26 -4.89 115.29 124.06 2jxt s HIS 81 Ca 0.55 -0.50 -0.11 0.00 0.25 0.00 0.00 55.06 55.25 2jxt s HIS 81 Cb -0.14 -4.44 0.07 0.00 -1.18 0.00 0.00 32.58 26.89 2jxt s HIS 81 CO 0.25 -1.70 1.09 -1.01 -0.65 0.00 0.00 174.74 172.72 2jxt s HIS 82 N 7.07 2.76 -0.43 3.88 3.76 -1.26 -4.99 115.29 126.08 2jxt s HIS 82 Ca 0.58 1.26 -0.28 0.00 -0.15 0.00 0.00 55.06 56.47 2jxt s HIS 82 Cb -0.00 -3.08 0.02 0.00 1.11 0.00 0.00 32.58 30.63 2jxt s HIS 82 CO 0.02 -1.79 1.06 -1.01 -0.85 0.00 0.00 174.74 172.17 2jxt s HIS 83 N -3.07 2.94 -0.14 1.40 3.76 -1.26 -5.01 115.29 113.91 2jxt s HIS 83 Ca 0.61 0.77 -0.02 0.00 -0.15 0.00 0.00 55.06 56.27 2jxt s HIS 83 Cb -0.15 -4.10 0.04 0.00 1.11 0.00 0.00 32.58 29.48 2jxt s HIS 83 CO 0.55 -1.08 0.02 -3.38 -0.85 0.00 0.00 174.74 170.00 2jxt s HIS 84 N 4.05 0.84 0.00 1.40 -3.43 -1.26 -5.10 115.29 111.79 2jxt s HIS 84 Ca 0.44 -0.52 0.00 0.00 -0.80 0.00 0.00 55.06 54.19 2jxt s HIS 84 Cb -0.09 -0.91 0.00 0.00 -1.43 0.00 0.00 32.58 30.14 2jxt s HIS 84 CO 0.26 -0.48 0.00 1.58 -2.00 0.00 0.00 174.74 174.10 2jxt n HIS 85 N 5.10 0.00 0.42 0.38 -0.00 -1.26 -5.31 115.22 114.56 2jxt n HIS 85 Ca -0.08 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.15 2jxt n HIS 85 Cb 0.49 0.00 0.04 0.00 -0.12 0.00 0.00 29.99 30.40 2jxt n HIS 85 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38