#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jxt s LYS 2 N 0.00 2.34 0.12 0.03 2.47 -1.26 -4.96 119.74 118.48 2jxt s LYS 2 Ca 0.00 0.32 0.02 0.00 -1.56 0.00 0.00 55.97 54.75 2jxt s LYS 2 Cb 0.00 -4.76 -0.04 0.00 -1.46 0.00 0.00 37.83 31.57 2jxt s LYS 2 CO 0.00 -3.38 0.22 1.41 0.16 0.00 0.00 175.35 173.76 2jxt s MET 3 N 7.52 3.32 0.43 4.03 -2.45 -1.26 -5.13 119.30 125.76 2jxt s MET 3 Ca 0.77 -0.59 0.05 0.00 -1.25 0.00 0.00 55.69 54.67 2jxt s MET 3 Cb -0.11 -2.92 0.01 0.00 1.25 0.00 0.00 34.83 33.06 2jxt s MET 3 CO 0.10 0.55 0.61 0.15 1.05 0.00 0.00 175.02 177.48 2jxt s LYS 4 N -2.91 2.85 -0.18 4.11 1.02 -1.26 -5.12 119.74 118.26 2jxt s LYS 4 Ca 0.34 -1.01 0.01 0.00 0.02 0.00 0.00 55.97 55.33 2jxt s LYS 4 Cb -0.12 -2.69 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2jxt s LYS 4 CO 0.27 -0.30 -0.14 -0.08 -0.92 0.00 0.00 175.35 174.18 2jxt s THR 5 N -2.43 1.75 0.24 2.17 -1.32 -1.26 -4.67 115.64 110.12 2jxt s THR 5 Ca 0.53 -0.88 -0.26 0.00 -1.21 0.00 0.00 61.69 59.87 2jxt s THR 5 Cb -0.10 -1.69 -0.09 0.00 -1.51 0.00 0.00 72.50 69.11 2jxt s THR 5 CO 0.34 0.37 0.86 -0.54 -2.21 0.00 0.00 174.62 173.44 2jxt s LYS 6 N 1.39 4.61 -0.10 7.08 1.02 0.46 -4.59 119.74 129.61 2jxt s LYS 6 Ca 0.02 1.26 -0.18 0.00 0.02 0.00 0.00 55.97 57.09 2jxt s LYS 6 Cb -0.14 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.03 2jxt s LYS 6 CO -0.10 0.46 0.50 0.42 -0.92 0.00 0.00 175.35 175.70 2jxt s ILE 7 N -1.33 5.15 -0.10 2.17 1.09 -1.23 -0.13 121.20 126.81 2jxt s ILE 7 Ca 0.42 1.00 0.03 0.00 -1.10 0.00 0.00 60.65 61.00 2jxt s ILE 7 Cb -0.22 -3.83 -0.01 0.00 -1.06 0.00 0.00 42.46 37.34 2jxt s ILE 7 CO 0.27 0.35 -0.20 -0.36 -0.10 0.00 0.00 174.94 174.90 2jxt s PHE 8 N 0.45 2.65 -0.75 3.97 0.08 0.67 -0.42 117.98 124.62 2jxt s PHE 8 Ca 0.27 -0.82 -0.18 0.00 0.12 0.00 0.00 56.93 56.31 2jxt s PHE 8 Cb -0.16 -1.74 0.13 0.00 -0.57 0.00 0.00 43.02 40.68 2jxt s PHE 8 CO 0.12 -0.29 0.88 0.50 -0.10 0.00 0.00 175.22 176.32 2jxt s ARG 9 N 0.24 3.32 -0.06 0.44 3.52 0.99 -2.25 118.95 125.15 2jxt s ARG 9 Ca -0.13 -1.61 -0.14 0.00 -0.13 0.00 0.00 55.73 53.72 2jxt s ARG 9 Cb -0.16 -4.50 -0.05 0.00 -1.56 0.00 0.00 34.95 28.68 2jxt s ARG 9 CO 0.07 -1.60 0.35 0.08 -0.81 0.00 0.00 175.30 173.39 2jxt s VAL 10 N 2.38 5.17 -0.12 7.11 1.01 0.12 -1.68 120.40 134.39 2jxt s VAL 10 Ca 0.20 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.91 2jxt s VAL 10 Cb -0.15 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 2jxt s VAL 10 CO -0.01 0.53 -0.21 -0.75 0.00 0.00 0.00 175.10 174.66 2jxt s LYS 11 N -0.63 3.11 0.00 2.72 2.47 0.10 -0.61 119.74 126.90 2jxt s LYS 11 Ca 0.21 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.79 2jxt s LYS 11 Cb -0.15 -2.41 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 2jxt s LYS 11 CO 0.10 0.13 0.00 0.41 0.16 0.00 0.00 175.35 176.15 2jxt n GLY 12 N 3.69 2.64 3.13 5.54 0.00 -0.68 -0.89 105.19 118.63 2jxt n GLY 12 Ca -0.19 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 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 0.51 0.71 -0.08 1.61 1.02 0.39 -0.67 119.74 123.23 2jxt s LYS 13 Ca 0.00 -0.98 -0.00 0.00 0.02 0.00 0.00 55.97 55.01 2jxt s LYS 13 Cb 0.00 -0.44 0.02 0.00 -0.52 0.00 0.00 37.83 36.89 2jxt s LYS 13 CO 0.00 0.07 -0.05 -0.59 -0.92 0.00 0.00 175.35 173.86 2jxt s PHE 14 N -1.96 1.11 -0.85 3.18 -0.71 0.06 -0.43 117.98 118.38 2jxt s PHE 14 Ca -0.01 -0.45 -0.25 0.00 -1.04 0.00 0.00 56.93 55.17 2jxt s PHE 14 Cb -0.06 -0.99 -0.02 0.00 -1.21 0.00 0.00 43.02 40.74 2jxt s PHE 14 CO -0.00 -0.37 1.83 -1.17 -1.34 0.00 0.00 175.22 174.16 2jxt s LEU 15 N 1.52 3.24 -0.16 -1.99 1.98 0.02 -2.25 118.68 121.03 2jxt s LEU 15 Ca -0.00 -0.55 -0.02 0.00 -2.89 0.00 0.00 54.13 50.67 2jxt s LEU 15 Cb -0.13 -2.55 -0.02 0.00 0.66 0.00 0.00 46.19 44.15 2jxt s LEU 15 CO -0.04 -2.45 -0.07 -0.32 -1.89 0.00 0.00 176.35 171.57 2jxt s MET 16 N 6.68 3.49 -1.33 1.98 1.75 0.71 -4.61 119.30 127.97 2jxt s MET 16 Ca 0.64 -0.61 -0.08 0.00 -1.25 0.00 0.00 55.69 54.40 2jxt s MET 16 Cb -0.07 -2.84 0.01 0.00 2.84 0.00 0.00 34.83 34.77 2jxt s MET 16 CO 0.03 0.11 1.07 0.41 -0.65 0.00 0.00 175.02 176.00 2jxt n GLY 17 N 3.87 -0.48 2.46 2.11 0.00 -1.26 -1.66 105.19 110.23 2jxt n GLY 17 Ca -0.18 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.77 -5.55 -4.03 1.61 8.00 -1.26 -4.98 116.55 107.57 2jxt n ASP 18 Ca -0.00 0.22 -0.16 0.00 0.71 0.00 0.00 54.79 55.55 2jxt n ASP 18 Cb 0.56 -4.74 -0.13 0.00 -0.02 0.00 0.00 41.12 36.79 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 -4.46 0.59 -0.59 -1.24 1.02 -0.66 -5.12 119.74 109.27 2jxt s LYS 19 Ca 0.00 -0.47 -0.21 0.00 0.02 0.00 0.00 55.97 55.31 2jxt s LYS 19 Cb 0.00 -0.51 0.07 0.00 -0.52 0.00 0.00 37.83 36.87 2jxt s LYS 19 CO 0.00 0.13 0.81 -0.51 -0.92 0.00 0.00 175.35 174.86 2jxt s LEU 20 N -0.73 4.76 -0.22 3.17 1.43 -1.26 -0.21 118.68 125.62 2jxt s LEU 20 Ca -0.01 -1.00 -0.12 0.00 -1.03 0.00 0.00 54.13 51.97 2jxt s LEU 20 Cb -0.06 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.66 2jxt s LEU 20 CO 0.00 -1.19 0.20 -1.10 0.23 0.00 0.00 176.35 174.49 2jxt s GLN 21 N 3.33 4.13 0.70 1.70 1.11 -0.96 -4.90 119.66 124.77 2jxt s GLN 21 Ca 0.19 -0.15 -0.13 0.00 0.01 0.00 0.00 55.36 55.28 2jxt s GLN 21 Cb -0.19 -3.50 0.02 0.00 -1.01 0.00 0.00 33.01 28.33 2jxt s GLN 21 CO 0.11 0.12 1.10 -2.14 0.01 0.00 0.00 175.29 174.48 2jxt s PRO 22 N 0.87 2.65 -0.01 2.91 0.02 -1.26 -0.76 135.00 139.41 2jxt s PRO 22 Ca 0.10 1.26 -0.08 0.00 0.02 0.00 0.00 61.00 62.30 2jxt s PRO 22 Cb -0.13 -1.94 0.01 0.00 0.02 0.00 0.00 34.50 32.46 2jxt s PRO 22 CO 0.03 -1.35 0.18 -0.59 -0.33 0.00 0.00 177.00 174.94 2jxt s PHE 23 N -2.60 -0.04 -0.23 6.54 -0.12 0.15 -4.86 117.98 116.82 2jxt s PHE 23 Ca 0.64 0.06 0.02 0.00 -0.05 0.00 0.00 56.93 57.59 2jxt s PHE 23 Cb -0.18 -0.00 0.05 0.00 -0.63 0.00 0.00 43.02 42.25 2jxt s PHE 23 CO 0.47 -0.27 -0.10 0.99 -0.05 0.00 0.00 175.22 176.26 2jxt s THR 24 N -1.09 1.85 0.07 -4.49 2.01 -1.26 -1.68 115.64 111.05 2jxt s THR 24 Ca -0.12 -1.29 0.09 0.00 0.31 0.00 0.00 61.69 60.68 2jxt s THR 24 Cb -0.06 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2jxt s THR 24 CO 0.02 0.06 -0.24 -0.54 -0.69 0.00 0.00 174.62 173.23 2jxt s LYS 25 N 1.27 1.52 -0.09 4.92 -0.14 0.22 -4.97 119.74 122.48 2jxt s LYS 25 Ca -0.05 -1.12 0.02 0.00 -1.36 0.00 0.00 55.97 53.46 2jxt s LYS 25 Cb -0.18 -1.76 -0.02 0.00 -1.68 0.00 0.00 37.83 34.19 2jxt s LYS 25 CO -0.07 0.44 -0.14 -1.21 -0.76 0.00 0.00 175.35 173.61 2jxt s GLU 26 N -1.48 2.93 0.24 1.68 2.02 -1.26 0.15 118.70 122.99 2jxt s GLU 26 Ca 0.10 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 2jxt s GLU 26 Cb -0.10 -2.50 0.01 0.00 0.10 0.00 0.00 34.13 31.64 2jxt s GLU 26 CO 0.03 0.43 0.54 -0.48 0.02 0.00 0.00 175.26 175.79 2jxt s LEU 27 N -0.21 0.16 -0.09 1.80 2.34 -0.95 -4.94 118.68 116.79 2jxt s LEU 27 Ca 0.01 -0.76 -0.00 0.00 0.06 0.00 0.00 54.13 53.43 2jxt s LEU 27 Cb -0.13 2.05 -0.03 0.00 -0.56 0.00 0.00 46.19 47.52 2jxt s LEU 27 CO 0.03 -1.16 -0.05 0.54 -1.06 0.00 0.00 176.35 174.64 2jxt s ASN 28 N -2.96 4.74 -0.11 1.48 4.22 -1.26 -0.24 114.94 120.81 2jxt s ASN 28 Ca 0.17 -0.02 -0.26 0.00 -2.14 0.00 0.00 52.86 50.61 2jxt s ASN 28 Cb -0.02 -1.33 0.06 0.00 1.28 0.00 0.00 41.25 41.25 2jxt s ASN 28 CO 0.06 0.33 0.61 0.00 -2.04 0.00 0.00 177.10 176.06 2jxt s ALA 29 N -0.60 -1.55 0.01 3.54 0.00 0.82 -4.91 121.76 119.06 2jxt s ALA 29 Ca 0.09 1.33 -0.21 0.00 0.00 0.00 0.00 51.96 53.17 2jxt s ALA 29 Cb -0.12 -0.35 -0.18 0.00 0.00 0.00 0.00 23.12 22.47 2jxt s ALA 29 CO 0.02 -0.33 1.21 0.82 0.00 0.00 0.00 175.76 177.48 2jxt h ILE 30 N 3.52 1.42 -3.58 0.00 5.03 -1.83 0.13 117.51 122.19 2jxt h ILE 30 Ca -0.28 -1.61 -0.31 0.00 -0.12 0.00 0.00 64.86 62.54 2jxt h ILE 30 Cb 1.15 2.24 -0.15 0.00 -3.03 0.00 0.00 36.82 37.04 2jxt h ILE 30 CO 0.29 0.46 -0.67 0.00 -0.68 0.00 0.00 178.15 177.55 2jxt s ARG 31 N -3.80 1.14 0.48 2.37 3.03 -1.26 -4.69 118.95 116.22 2jxt s ARG 31 Ca -0.14 -1.54 0.17 0.00 2.03 0.00 0.00 55.73 56.25 2jxt s ARG 31 Cb 0.04 -0.42 1.18 0.00 -1.03 0.00 0.00 34.95 34.72 2jxt s ARG 31 CO 0.76 -0.07 2.03 0.93 -1.13 0.00 0.00 175.30 177.82 2jxt h GLU 32 N 2.68 0.19 -0.64 3.89 3.07 -2.00 -1.28 114.58 120.49 2jxt h GLU 32 Ca -0.37 -0.01 0.14 0.00 -0.50 0.00 0.00 59.36 58.62 2jxt h GLU 32 Cb 1.20 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.03 2jxt h GLU 32 CO 0.63 0.13 0.44 0.93 -1.40 0.00 0.00 179.01 179.74 2jxt h GLU 33 N 0.20 0.24 -0.05 2.33 5.08 -2.00 -1.48 114.58 118.91 2jxt h GLU 33 Ca 0.19 -0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.32 2jxt h GLU 33 Cb 0.49 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2jxt h GLU 33 CO -0.03 0.16 -0.86 0.93 -1.00 0.00 0.00 179.01 178.21 2jxt h GLU 34 N 0.25 0.49 -0.63 2.33 4.39 -1.65 -3.34 114.58 116.43 2jxt h GLU 34 Ca 0.31 -0.47 0.13 0.00 0.34 0.00 0.00 59.36 59.67 2jxt h GLU 34 Cb 0.86 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.52 2jxt h GLU 34 CO -0.07 1.11 0.01 0.82 -1.16 0.00 0.00 179.01 179.72 2jxt h ILE 35 N 0.31 0.49 0.31 3.13 2.04 -1.32 -0.26 117.51 122.20 2jxt h ILE 35 Ca -0.06 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2jxt h ILE 35 Cb 1.48 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2jxt h ILE 35 CO 0.15 0.02 -0.51 1.88 0.00 0.00 0.00 178.15 179.70 2jxt h TYR 36 N 0.13 -1.45 -0.32 1.37 0.05 -1.67 -0.44 116.97 114.63 2jxt h TYR 36 Ca 0.33 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.10 2jxt h TYR 36 Cb 0.54 0.59 -0.02 0.00 1.01 0.00 0.00 36.73 38.86 2jxt h TYR 36 CO -0.36 -0.63 0.02 0.93 -1.05 0.00 0.00 178.16 177.07 2jxt h GLU 37 N -0.87 0.48 0.05 4.88 4.39 -1.64 -1.07 114.58 120.79 2jxt h GLU 37 Ca -0.03 -0.09 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 2jxt h GLU 37 Cb 0.81 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2jxt h GLU 37 CO -0.17 0.49 -0.02 0.00 -1.16 0.00 0.00 179.01 178.15 2jxt h ARG 38 N 0.46 -0.06 -0.17 2.33 2.47 -0.61 -0.37 114.38 118.43 2jxt h ARG 38 Ca 0.10 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2jxt h ARG 38 Cb 0.28 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 2jxt h ARG 38 CO 0.01 0.06 0.07 -0.07 0.56 0.00 0.00 179.97 180.59 2jxt h LEU 39 N -0.16 0.24 -0.92 3.04 3.38 -0.85 -0.47 115.31 119.57 2jxt h LEU 39 Ca -0.01 -0.17 0.13 0.00 0.09 0.00 0.00 57.88 57.93 2jxt h LEU 39 Cb 0.14 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.74 2jxt h LEU 39 CO 0.01 0.34 0.54 1.88 0.09 0.00 0.00 178.44 181.30 2jxt h TYR 40 N 0.12 0.97 -0.07 1.13 0.05 -1.16 0.80 116.97 118.82 2jxt h TYR 40 Ca 0.06 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 2jxt h TYR 40 Cb 0.18 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 2jxt h TYR 40 CO -0.01 0.33 -0.02 1.03 -1.05 0.00 0.00 178.16 178.44 2jxt h SER 41 N 0.82 0.13 0.24 3.88 0.87 -0.83 -2.50 113.55 116.17 2jxt h SER 41 Ca 0.48 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 2jxt h SER 41 Cb 0.56 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2jxt h SER 41 CO -0.30 0.47 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.28 2jxt h GLU 42 N -0.21 -0.31 -0.70 2.24 4.81 -0.43 -2.25 114.58 117.73 2jxt h GLU 42 Ca 0.02 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 2jxt h GLU 42 Cb 0.42 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 2jxt h GLU 42 CO 0.01 -0.18 0.46 0.74 -0.73 0.00 0.00 179.01 179.31 2jxt h PHE 43 N -0.36 0.55 -0.11 0.92 -1.00 -0.96 0.18 116.94 116.16 2jxt h PHE 43 Ca -0.03 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 2jxt h PHE 43 Cb 0.28 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 39.65 2jxt h PHE 43 CO -0.05 0.25 0.05 0.78 -1.61 0.00 0.00 178.31 177.73 2jxt h GLY 44 N 0.51 0.15 0.00 -1.45 0.00 -0.94 0.70 103.07 102.05 2jxt h GLY 44 Ca 0.33 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.54 2jxt h GLY 44 CO -0.11 0.06 -0.43 0.23 0.00 0.00 0.00 176.54 176.29 2jxt h SER 45 N 0.14 0.00 -0.49 0.19 0.87 -0.35 -2.70 113.55 111.21 2jxt h SER 45 Ca 0.04 -0.40 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2jxt h SER 45 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2jxt h SER 45 CO -0.01 0.94 0.00 2.29 -0.53 0.00 0.00 176.83 179.52 2jxt n LYS 46 N -4.61 3.92 0.00 2.24 2.85 -0.30 -4.36 118.16 117.89 2jxt n LYS 46 Ca -0.12 -2.51 0.00 0.00 -1.05 0.00 0.00 58.31 54.62 2jxt n LYS 46 Cb 0.36 -2.03 0.00 0.00 -0.65 0.00 0.00 35.03 32.71 2jxt n LYS 46 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jxt n HIS 47 N 0.63 0.00 -3.43 5.58 8.25 0.19 -4.98 115.22 121.46 2jxt n HIS 47 Ca 0.22 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.49 2jxt n HIS 47 Cb 0.95 0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.13 2jxt n HIS 47 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2jxt n ARG 48 N -0.47 -6.82 -4.38 -0.41 1.74 0.22 -4.95 116.66 101.59 2jxt n ARG 48 Ca 0.00 0.77 -0.34 0.00 -0.77 0.00 0.00 57.85 57.52 2jxt n ARG 48 Cb 0.00 -5.62 -0.13 0.00 -1.02 0.00 0.00 32.46 25.69 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 -3.31 3.46 0.52 1.55 1.01 -1.23 -4.96 120.40 117.43 2jxt s VAL 49 Ca 0.30 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.56 2jxt s VAL 49 Cb -0.13 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.67 2jxt s VAL 49 CO 0.67 0.48 1.26 -0.81 0.00 0.00 0.00 175.10 176.71 2jxt n PRO 50 N 3.91 1.63 0.04 2.72 -0.04 -1.26 -4.36 135.00 137.64 2jxt n PRO 50 Ca -0.18 0.60 0.09 0.00 -0.04 0.00 0.00 63.50 63.97 2jxt n PRO 50 Cb 0.52 -2.45 0.39 0.00 -0.04 0.00 0.00 33.50 31.93 2jxt n PRO 50 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2jxt n ARG 51 N -0.68 0.07 0.28 0.54 1.85 -1.26 -1.04 116.66 116.42 2jxt n ARG 51 Ca 0.10 0.28 0.18 0.00 -1.00 0.00 0.00 57.85 57.41 2jxt n ARG 51 Cb 0.43 -1.62 0.78 0.00 -1.05 0.00 0.00 32.46 31.01 2jxt n ARG 51 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2jxt h SER 52 N 0.00 0.00 0.05 2.89 0.87 -2.01 -3.20 113.55 112.15 2jxt h SER 52 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 2jxt h SER 52 Cb 0.32 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 2jxt h SER 52 CO 0.00 0.00 -2.34 0.29 -0.53 0.00 0.00 176.83 174.25 2jxt n LYS 53 N -3.02 0.67 -2.49 2.24 4.76 -0.21 -4.93 118.16 115.18 2jxt n LYS 53 Ca -0.00 0.11 -0.40 0.00 -2.87 0.00 0.00 58.31 55.15 2jxt n LYS 53 Cb 0.25 -1.56 -0.04 0.00 -1.84 0.00 0.00 35.03 31.84 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 -2.52 3.53 -0.22 -0.18 1.01 -1.15 -0.80 120.40 120.08 2jxt s VAL 54 Ca -0.23 1.51 -0.18 0.00 0.00 0.00 0.00 61.98 63.08 2jxt s VAL 54 Cb 0.08 -3.95 0.06 0.00 0.00 0.00 0.00 36.38 32.56 2jxt s VAL 54 CO 0.71 0.34 0.57 -0.75 0.00 0.00 0.00 175.10 175.97 2jxt s LYS 55 N -1.51 0.64 0.06 2.72 2.20 0.42 -4.89 119.74 119.38 2jxt s LYS 55 Ca 0.45 0.83 -0.12 0.00 -0.36 0.00 0.00 55.97 56.77 2jxt s LYS 55 Cb -0.31 0.27 -0.06 0.00 -1.51 0.00 0.00 37.83 36.22 2jxt s LYS 55 CO 0.40 -0.09 0.42 0.42 -0.36 0.00 0.00 175.35 176.13 2jxt s ILE 56 N 0.53 5.04 -0.22 5.43 1.01 -1.26 -0.46 121.20 131.28 2jxt s ILE 56 Ca -0.02 0.64 -0.16 0.00 0.00 0.00 0.00 60.65 61.11 2jxt s ILE 56 Cb -0.04 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.66 2jxt s ILE 56 CO -0.03 0.39 -0.34 -0.62 0.00 0.00 0.00 174.94 174.34 2jxt n GLU 57 N 1.24 0.56 -3.83 2.79 1.02 -0.06 -4.89 120.64 117.46 2jxt n GLU 57 Ca -0.10 0.24 -0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2jxt n GLU 57 Cb 0.52 -1.47 -0.09 0.00 -0.02 0.00 0.00 31.44 30.39 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 0.61 -0.08 3.49 2.12 -0.38 -5.03 118.70 116.70 2jxt s GLU 58 Ca -0.33 -0.41 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 2jxt s GLU 58 Cb 0.09 0.26 0.03 0.00 0.26 0.00 0.00 34.13 34.76 2jxt s GLU 58 CO 0.45 -0.16 -0.04 0.42 -0.54 0.00 0.00 175.26 175.39 2jxt s ILE 59 N -1.74 0.69 0.21 -3.70 1.01 -1.26 -0.72 121.20 115.69 2jxt s ILE 59 Ca -0.11 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.50 2jxt s ILE 59 Cb -0.05 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2jxt s ILE 59 CO 0.01 0.30 0.17 -1.61 0.00 0.00 0.00 174.94 173.81 2jxt s GLU 60 N 1.67 2.94 -0.16 2.79 2.02 -0.67 -4.96 118.70 122.32 2jxt s GLU 60 Ca 0.02 -0.95 -0.00 0.00 0.02 0.00 0.00 54.97 54.06 2jxt s GLU 60 Cb -0.13 -2.62 -0.00 0.00 0.10 0.00 0.00 34.13 31.48 2jxt s GLU 60 CO -0.05 0.44 -0.14 -2.00 0.02 0.00 0.00 175.26 173.53 2jxt s GLU 61 N -3.49 3.23 0.36 1.61 2.12 -1.26 -0.01 118.70 121.26 2jxt s GLU 61 Ca 0.32 -0.73 0.05 0.00 0.36 0.00 0.00 54.97 54.97 2jxt s GLU 61 Cb -0.09 -2.67 -0.07 0.00 0.26 0.00 0.00 34.13 31.56 2jxt s GLU 61 CO 0.24 -0.02 0.04 0.96 -0.54 0.00 0.00 175.26 175.94 2jxt s ILE 62 N 0.92 1.51 0.26 -3.70 -4.36 0.44 -4.94 121.20 111.32 2jxt s ILE 62 Ca -0.03 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.27 2jxt s ILE 62 Cb -0.15 -2.87 -0.07 0.00 1.25 0.00 0.00 42.46 40.62 2jxt s ILE 62 CO -0.02 -0.00 0.58 -0.44 0.24 0.00 0.00 174.94 175.30 2jxt s SER 63 N -3.57 6.60 0.62 4.36 0.01 -1.26 -3.47 113.70 116.98 2jxt s SER 63 Ca 0.36 0.92 0.30 0.00 1.31 0.00 0.00 55.95 58.85 2jxt s SER 63 Cb 0.09 -2.23 1.66 0.00 0.21 0.00 0.00 66.02 65.75 2jxt s SER 63 CO 0.17 -0.12 2.00 -0.65 0.41 0.00 0.00 173.24 175.04 2jxt h PRO 64 N 2.29 0.00 -0.02 12.44 0.11 -1.94 -1.84 132.00 143.05 2jxt h PRO 64 Ca -0.47 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 2jxt h PRO 64 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jxt h PRO 64 CO 0.68 0.00 -0.46 1.05 -0.21 0.00 0.00 178.00 179.06 2jxt h GLU 65 N 0.00 0.35 -0.35 1.05 4.11 -1.95 -3.33 114.58 114.46 2jxt h GLU 65 Ca 0.09 -0.34 0.00 0.00 0.07 0.00 0.00 59.36 59.17 2jxt h GLU 65 Cb 0.70 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2jxt h GLU 65 CO -0.00 1.02 0.00 0.39 0.07 0.00 0.00 179.01 180.49 2jxt n GLU 66 N -4.33 1.71 -2.37 1.06 -0.58 -0.69 -4.90 120.64 110.54 2jxt n GLU 66 Ca -0.10 -0.94 -0.41 0.00 -0.42 0.00 0.00 57.16 55.29 2jxt n GLU 66 Cb 0.60 -1.29 -0.03 0.00 -0.57 0.00 0.00 31.44 30.14 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 -1.65 3.50 -0.04 2.62 1.01 -1.20 -4.95 120.40 119.69 2jxt s VAL 67 Ca 0.17 1.30 -0.16 0.00 0.00 0.00 0.00 61.98 63.29 2jxt s VAL 67 Cb 0.10 -3.83 -0.32 0.00 0.00 0.00 0.00 36.38 32.33 2jxt s VAL 67 CO 0.11 0.23 0.80 -0.61 0.00 0.00 0.00 175.10 175.62 2jxt h GLN 68 N 4.98 0.39 -6.28 2.72 4.15 -1.94 -3.46 115.11 115.67 2jxt h GLN 68 Ca -0.45 -0.67 -0.55 0.00 0.77 0.00 0.00 58.65 57.76 2jxt h GLN 68 Cb 1.21 0.25 -0.01 0.00 0.21 0.00 0.00 27.48 29.15 2jxt h GLN 68 CO 0.73 1.32 1.07 0.34 -1.93 0.00 0.00 178.83 180.36 2jxt s ASP 69 N -7.26 6.67 0.46 -0.69 -1.08 -1.26 -4.91 116.67 108.60 2jxt s ASP 69 Ca -0.14 2.24 0.26 0.00 -0.52 0.00 0.00 52.55 54.39 2jxt s ASP 69 Cb 0.04 -2.54 0.97 0.00 -1.46 0.00 0.00 42.92 39.93 2jxt s ASP 69 CO 0.86 -0.91 1.84 1.55 0.52 0.00 0.00 175.17 179.03 2jxt h PRO 70 N 9.40 0.00 0.07 4.34 0.13 -1.99 -1.95 132.00 142.00 2jxt h PRO 70 Ca -0.39 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2jxt h PRO 70 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jxt h PRO 70 CO 0.95 0.17 -0.03 0.28 -0.23 0.00 0.00 178.00 179.14 2jxt h VAL 71 N 0.00 1.06 -0.25 1.56 2.07 -1.99 -2.68 116.25 116.02 2jxt h VAL 71 Ca -0.00 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 65.99 2jxt h VAL 71 Cb 0.72 1.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 2jxt h VAL 71 CO 0.02 0.32 0.16 0.58 0.02 0.00 0.00 177.57 178.67 2jxt h VAL 72 N -0.91 1.08 -0.47 2.57 2.07 -1.92 -0.24 116.25 118.43 2jxt h VAL 72 Ca -0.01 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.42 2jxt h VAL 72 Cb 0.59 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 31.03 2jxt h VAL 72 CO 0.01 0.08 -0.02 0.50 0.02 0.00 0.00 177.57 178.16 2jxt h LYS 73 N 0.33 0.08 -0.00 1.57 3.64 -1.47 -1.02 116.57 119.70 2jxt h LYS 73 Ca 0.09 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.36 2jxt h LYS 73 Cb -0.01 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 2jxt h LYS 73 CO -0.02 0.06 -0.53 0.00 -2.27 0.00 0.00 179.45 176.69 2jxt h ALA 74 N 1.43 1.12 -0.30 5.00 0.00 -1.31 0.57 119.26 125.78 2jxt h ALA 74 Ca 0.24 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2jxt h ALA 74 Cb 0.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2jxt h ALA 74 CO -0.41 0.66 -0.17 1.25 0.00 0.00 0.00 179.25 180.58 2jxt h LEU 75 N 0.00 0.53 0.00 0.00 6.46 0.11 -2.40 115.31 120.01 2jxt h LEU 75 Ca -0.01 -0.16 -0.17 0.00 -0.12 0.00 0.00 57.88 57.43 2jxt h LEU 75 Cb 0.94 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.70 2jxt h LEU 75 CO 0.07 0.72 -0.92 0.58 -0.62 0.00 0.00 178.44 178.26 2jxt h VAL 76 N 0.49 1.08 0.00 1.05 2.07 -1.10 -3.37 116.25 116.47 2jxt h VAL 76 Ca 0.08 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.44 2jxt h VAL 76 Cb 0.58 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 2jxt h VAL 76 CO 0.04 0.36 0.00 0.00 0.02 0.00 0.00 177.57 178.00 2jxt n GLN 77 N -4.48 0.14 -0.16 1.57 6.02 0.18 -1.68 117.38 118.96 2jxt n GLN 77 Ca -0.26 0.64 0.10 0.00 -0.01 0.00 0.00 57.00 57.47 2jxt n GLN 77 Cb 0.61 -1.97 0.42 0.00 1.02 0.00 0.00 30.24 30.32 2jxt n GLN 77 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2jxt h ARG 78 N 0.00 0.58 0.00 -1.09 0.11 -1.59 -0.47 114.38 111.93 2jxt h ARG 78 Ca 0.00 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.02 2jxt h ARG 78 Cb 0.00 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 30.95 2jxt h ARG 78 CO 0.00 0.38 -1.70 1.47 0.10 0.00 0.00 179.97 180.23 2jxt n LEU 79 N -4.49 0.29 -0.07 0.08 -0.00 -0.68 -4.31 117.00 107.82 2jxt n LEU 79 Ca 0.12 0.11 -0.12 0.00 -0.00 0.00 0.00 56.01 56.12 2jxt n LEU 79 Cb 0.34 0.01 -0.06 0.00 -0.00 0.00 0.00 43.42 43.72 2jxt n LEU 79 CO 0.33 -0.03 0.65 -0.33 -0.00 0.00 0.00 177.39 178.01 2jxt h GLU 80 N 0.00 0.45 -3.69 1.47 4.39 -1.35 -3.32 114.58 112.53 2jxt h GLU 80 Ca -0.03 -0.21 -0.58 0.00 0.34 0.00 0.00 59.36 58.88 2jxt h GLU 80 Cb 1.08 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2jxt h GLU 80 CO 0.00 0.75 2.96 1.58 -1.16 0.00 0.00 179.01 183.14 2jxt n HIS 81 N -4.52 2.20 0.00 4.33 -0.00 -0.24 -2.55 115.22 114.44 2jxt n HIS 81 Ca -0.05 -2.42 0.00 0.00 0.46 0.00 0.00 57.72 55.71 2jxt n HIS 81 Cb 0.35 -2.07 0.00 0.00 -0.12 0.00 0.00 29.99 28.15 2jxt n HIS 81 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jxt n HIS 82 N 5.22 0.00 -0.82 1.57 -0.00 -1.25 -5.00 115.22 114.94 2jxt n HIS 82 Ca 0.56 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 58.19 2jxt n HIS 82 Cb 0.27 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.15 2jxt n HIS 82 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2jxt n HIS 83 N 0.00 0.00 -3.91 1.57 -0.00 -1.06 -4.78 115.22 107.04 2jxt n HIS 83 Ca 0.00 -1.31 -0.10 0.00 -0.00 0.00 0.00 57.72 56.31 2jxt n HIS 83 Cb 0.00 -1.24 -0.10 0.00 -0.00 0.00 0.00 29.99 28.64 2jxt n HIS 83 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jxt s HIS 84 N 0.77 0.14 0.56 -1.40 3.76 -1.26 -5.17 115.29 112.68 2jxt s HIS 84 Ca 0.46 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 55.12 2jxt s HIS 84 Cb 0.22 -0.11 0.07 0.00 1.11 0.00 0.00 32.58 33.87 2jxt s HIS 84 CO 0.00 -0.27 0.78 -1.01 -0.85 0.00 0.00 174.74 173.39 2jxt s HIS 85 N -1.59 1.90 -2.98 1.40 3.76 -1.26 -5.24 115.29 111.28 2jxt s HIS 85 Ca -0.14 -0.50 0.24 0.00 -0.15 0.00 0.00 55.06 54.51 2jxt s HIS 85 Cb -0.07 -2.44 0.23 0.00 1.11 0.00 0.00 32.58 31.41 2jxt s HIS 85 CO -0.00 -1.06 1.28 1.58 -0.85 0.00 0.00 174.74 175.69