#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 3.07 -1.21 0.03 2.47 -1.26 -4.89 119.74 117.95 2jxt s LYS 2 Ca 0.00 1.64 -0.20 0.00 -1.56 0.00 0.00 55.97 55.85 2jxt s LYS 2 Cb 0.00 -4.33 -0.02 0.00 -1.46 0.00 0.00 37.83 32.02 2jxt s LYS 2 CO 0.00 -2.18 1.90 -0.12 0.16 0.00 0.00 175.35 175.11 2jxt n MET 3 N 8.69 2.34 -3.68 4.03 0.00 -1.26 -4.91 117.12 122.33 2jxt n MET 3 Ca 0.27 -2.71 -0.38 0.00 -0.00 0.00 0.00 57.70 54.89 2jxt n MET 3 Cb 0.47 -3.48 -0.12 0.00 0.00 0.00 0.00 33.22 30.09 2jxt n MET 3 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2jxt s LYS 4 N 5.02 3.48 0.75 2.12 2.20 -1.26 -5.09 119.74 126.96 2jxt s LYS 4 Ca 0.59 -0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 55.45 2jxt s LYS 4 Cb 0.05 -3.50 0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2jxt s LYS 4 CO 0.08 -0.33 1.14 -0.08 -0.36 0.00 0.00 175.35 175.80 2jxt s THR 5 N 1.62 2.81 0.01 3.43 -1.32 -1.26 -4.95 115.64 115.99 2jxt s THR 5 Ca 0.05 0.33 0.08 0.00 -1.21 0.00 0.00 61.69 60.94 2jxt s THR 5 Cb -0.16 -2.77 -0.02 0.00 -1.51 0.00 0.00 72.50 68.03 2jxt s THR 5 CO 0.06 -0.28 -0.23 -0.54 -2.21 0.00 0.00 174.62 171.42 2jxt s LYS 6 N -4.34 1.69 -0.20 7.08 1.02 -0.29 -4.90 119.74 119.80 2jxt s LYS 6 Ca 0.67 -0.91 -0.19 0.00 0.02 0.00 0.00 55.97 55.56 2jxt s LYS 6 Cb -0.22 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 2jxt s LYS 6 CO 0.49 0.46 0.54 0.42 -0.92 0.00 0.00 175.35 176.34 2jxt s ILE 7 N -0.67 5.08 -0.33 2.17 1.09 -1.23 -0.16 121.20 127.16 2jxt s ILE 7 Ca 0.09 1.00 -0.06 0.00 -1.10 0.00 0.00 60.65 60.59 2jxt s ILE 7 Cb -0.09 -3.86 0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2jxt s ILE 7 CO 0.01 0.15 0.09 -0.36 -0.10 0.00 0.00 174.94 174.73 2jxt s PHE 8 N 1.75 3.26 -0.85 3.97 0.08 0.85 -0.63 117.98 126.41 2jxt s PHE 8 Ca 0.25 -1.51 -0.25 0.00 0.12 0.00 0.00 56.93 55.54 2jxt s PHE 8 Cb -0.16 -2.26 -0.00 0.00 -0.57 0.00 0.00 43.02 40.04 2jxt s PHE 8 CO 0.10 -0.75 1.68 0.50 -0.10 0.00 0.00 175.22 176.65 2jxt s ARG 9 N 1.37 2.97 0.12 0.44 3.52 0.21 -2.15 118.95 125.44 2jxt s ARG 9 Ca -0.02 -0.34 -0.21 0.00 -0.13 0.00 0.00 55.73 55.03 2jxt s ARG 9 Cb -0.20 -4.87 -0.07 0.00 -1.56 0.00 0.00 34.95 28.25 2jxt s ARG 9 CO 0.02 -2.71 0.64 0.08 -0.81 0.00 0.00 175.30 172.52 2jxt s VAL 10 N 7.70 4.63 -0.10 7.11 1.01 0.13 -1.25 120.40 139.62 2jxt s VAL 10 Ca 0.57 1.33 -0.00 0.00 0.00 0.00 0.00 61.98 63.88 2jxt s VAL 10 Cb -0.06 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2jxt s VAL 10 CO 0.03 0.49 -0.07 -0.75 0.00 0.00 0.00 175.10 174.80 2jxt s LYS 11 N -1.27 1.45 0.00 2.72 2.47 0.33 -0.90 119.74 124.54 2jxt s LYS 11 Ca 0.33 -0.24 0.00 0.00 -1.56 0.00 0.00 55.97 54.50 2jxt s LYS 11 Cb -0.20 -1.50 0.00 0.00 -1.46 0.00 0.00 37.83 34.67 2jxt s LYS 11 CO 0.21 -0.23 0.00 0.41 0.16 0.00 0.00 175.35 175.90 2jxt n GLY 12 N 4.81 3.62 3.00 5.54 0.00 -1.02 -0.01 105.19 121.13 2jxt n GLY 12 Ca -0.14 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 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 1.20 1.09 0.18 1.61 1.02 0.13 -0.19 119.74 124.78 2jxt s LYS 13 Ca 0.00 -0.32 0.08 0.00 0.02 0.00 0.00 55.97 55.75 2jxt s LYS 13 Cb 0.00 -0.99 -0.04 0.00 -0.52 0.00 0.00 37.83 36.28 2jxt s LYS 13 CO 0.00 0.10 -0.07 -0.59 -0.92 0.00 0.00 175.35 173.87 2jxt s PHE 14 N 0.30 2.69 -0.23 3.18 -0.71 0.49 -0.68 117.98 123.02 2jxt s PHE 14 Ca -0.05 -0.20 -0.25 0.00 -1.04 0.00 0.00 56.93 55.40 2jxt s PHE 14 Cb -0.10 -1.32 -0.01 0.00 -1.21 0.00 0.00 43.02 40.39 2jxt s PHE 14 CO 0.01 0.51 0.83 -1.17 -1.34 0.00 0.00 175.22 174.06 2jxt s LEU 15 N -2.84 4.09 -0.19 -1.99 1.98 -1.06 -0.65 118.68 118.02 2jxt s LEU 15 Ca 0.25 1.06 -0.03 0.00 -2.89 0.00 0.00 54.13 52.52 2jxt s LEU 15 Cb -0.09 -3.20 0.06 0.00 0.66 0.00 0.00 46.19 43.63 2jxt s LEU 15 CO 0.16 -0.50 0.04 -0.32 -1.89 0.00 0.00 176.35 173.85 2jxt s MET 16 N 2.74 0.58 -1.21 1.98 1.75 0.18 -4.88 119.30 120.43 2jxt s MET 16 Ca 0.35 -0.39 -0.04 0.00 -1.25 0.00 0.00 55.69 54.36 2jxt s MET 16 Cb -0.15 -2.07 -0.01 0.00 2.84 0.00 0.00 34.83 35.43 2jxt s MET 16 CO 0.08 -0.65 0.81 0.41 -0.65 0.00 0.00 175.02 175.01 2jxt n GLY 17 N 5.08 -0.58 3.38 2.11 0.00 -1.26 -1.57 105.19 112.34 2jxt n GLY 17 Ca -0.09 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.04 -1.22 -4.41 1.61 9.92 -1.26 -4.97 116.55 113.18 2jxt n ASP 18 Ca -0.22 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.67 2jxt n ASP 18 Cb 0.65 -1.78 -0.12 0.00 -0.64 0.00 0.00 41.12 39.23 2jxt n ASP 18 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2jxt s LYS 19 N -0.79 3.41 -0.92 -1.24 1.02 -0.61 -5.04 119.74 115.58 2jxt s LYS 19 Ca 0.00 -0.65 -0.24 0.00 0.02 0.00 0.00 55.97 55.10 2jxt s LYS 19 Cb 0.00 -3.39 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 2jxt s LYS 19 CO 0.00 -0.32 1.53 -0.51 -0.92 0.00 0.00 175.35 175.13 2jxt s LEU 20 N 1.58 3.36 -0.13 3.17 1.43 -1.26 -0.64 118.68 126.20 2jxt s LEU 20 Ca 0.05 -1.02 -0.06 0.00 -1.03 0.00 0.00 54.13 52.07 2jxt s LEU 20 Cb -0.16 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 2jxt s LEU 20 CO 0.04 -1.84 0.08 -1.10 0.23 0.00 0.00 176.35 173.76 2jxt s GLN 21 N 5.60 3.48 0.46 1.70 -0.21 0.17 -4.77 119.66 126.10 2jxt s GLN 21 Ca 0.49 -0.26 -0.23 0.00 0.02 0.00 0.00 55.36 55.38 2jxt s GLN 21 Cb -0.03 -3.10 -0.07 0.00 1.00 0.00 0.00 33.01 30.81 2jxt s GLN 21 CO -0.02 0.61 1.15 -1.25 -2.12 0.00 0.00 175.29 173.67 2jxt s PRO 22 N -0.58 3.75 0.10 2.91 0.04 -1.26 -0.38 135.00 139.58 2jxt s PRO 22 Ca 0.11 1.74 0.03 0.00 0.04 0.00 0.00 61.00 62.93 2jxt s PRO 22 Cb -0.12 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 2jxt s PRO 22 CO 0.02 -0.55 -0.09 -0.59 0.04 0.00 0.00 177.00 175.83 2jxt s PHE 23 N -1.58 1.02 -0.24 0.56 -0.12 0.74 -4.86 117.98 113.51 2jxt s PHE 23 Ca 0.64 -0.69 0.00 0.00 -0.05 0.00 0.00 56.93 56.83 2jxt s PHE 23 Cb -0.28 -0.56 0.03 0.00 -0.63 0.00 0.00 43.02 41.58 2jxt s PHE 23 CO 0.33 -0.02 -0.10 0.99 -0.05 0.00 0.00 175.22 176.37 2jxt s THR 24 N -2.60 2.53 -0.15 -4.49 2.01 -1.26 -2.43 115.64 109.25 2jxt s THR 24 Ca 0.06 -1.16 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 2jxt s THR 24 Cb -0.02 -2.29 0.04 0.00 0.01 0.00 0.00 72.50 70.24 2jxt s THR 24 CO -0.01 0.21 -0.02 -0.54 -0.69 0.00 0.00 174.62 173.58 2jxt s LYS 25 N 1.26 1.06 -0.19 4.92 -0.14 -0.08 -5.02 119.74 121.55 2jxt s LYS 25 Ca -0.01 -0.35 -0.15 0.00 -1.36 0.00 0.00 55.97 54.10 2jxt s LYS 25 Cb -0.17 -1.79 -0.04 0.00 -1.68 0.00 0.00 37.83 34.15 2jxt s LYS 25 CO -0.06 -0.45 0.35 -1.21 -0.76 0.00 0.00 175.35 173.21 2jxt s GLU 26 N 1.77 4.20 -0.01 1.68 2.02 -1.26 0.19 118.70 127.28 2jxt s GLU 26 Ca 0.01 0.14 -0.16 0.00 0.02 0.00 0.00 54.97 54.99 2jxt s GLU 26 Cb -0.15 -3.49 0.03 0.00 0.10 0.00 0.00 34.13 30.61 2jxt s GLU 26 CO -0.07 0.07 0.33 -0.48 0.02 0.00 0.00 175.26 175.13 2jxt s LEU 27 N 0.97 0.76 0.30 1.80 2.34 -0.91 -4.82 118.68 119.12 2jxt s LEU 27 Ca 0.18 0.11 -0.13 0.00 0.06 0.00 0.00 54.13 54.35 2jxt s LEU 27 Cb -0.14 1.35 -0.08 0.00 -0.56 0.00 0.00 46.19 46.75 2jxt s LEU 27 CO 0.06 -0.46 0.68 0.54 -1.06 0.00 0.00 176.35 176.11 2jxt s ASN 28 N -1.35 6.72 -0.07 1.48 4.22 -1.26 -0.10 114.94 124.57 2jxt s ASN 28 Ca -0.13 1.16 -0.30 0.00 -2.14 0.00 0.00 52.86 51.45 2jxt s ASN 28 Cb -0.05 -2.33 0.12 0.00 1.28 0.00 0.00 41.25 40.27 2jxt s ASN 28 CO 0.04 -0.18 0.98 0.00 -2.04 0.00 0.00 177.10 175.91 2jxt s ALA 29 N -1.95 -1.90 -0.02 3.54 0.00 0.78 -4.86 121.76 117.35 2jxt s ALA 29 Ca 0.52 1.25 -0.22 0.00 0.00 0.00 0.00 51.96 53.51 2jxt s ALA 29 Cb -0.10 0.10 -0.22 0.00 0.00 0.00 0.00 23.12 22.89 2jxt s ALA 29 CO 0.19 -0.60 1.09 0.82 0.00 0.00 0.00 175.76 177.26 2jxt h ILE 30 N 2.09 1.48 -3.26 0.00 5.03 -1.93 -0.74 117.51 120.18 2jxt h ILE 30 Ca -0.18 -1.92 -0.12 0.00 -0.12 0.00 0.00 64.86 62.52 2jxt h ILE 30 Cb 1.21 2.59 -0.02 0.00 -3.03 0.00 0.00 36.82 37.58 2jxt h ILE 30 CO 0.29 0.54 0.10 -2.11 -0.68 0.00 0.00 178.15 176.29 2jxt n ARG 31 N -4.40 0.87 -0.34 2.37 0.00 -1.26 -4.81 116.66 109.09 2jxt n ARG 31 Ca -0.10 -2.21 0.11 0.00 -0.00 0.00 0.00 57.85 55.65 2jxt n ARG 31 Cb 0.55 2.48 0.29 0.00 -0.00 0.00 0.00 32.46 35.78 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 0.73 -0.72 2.89 5.08 -2.00 -1.30 114.58 119.26 2jxt h GLU 32 Ca -0.28 -0.04 0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2jxt h GLU 32 Cb 1.10 -0.16 -0.13 0.00 0.50 0.00 0.00 28.75 30.06 2jxt h GLU 32 CO 0.36 0.48 -0.07 0.93 -1.00 0.00 0.00 179.01 179.72 2jxt h GLU 33 N 0.75 0.06 -0.79 2.33 4.39 -2.00 0.17 114.58 119.48 2jxt h GLU 33 Ca 0.54 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.21 2jxt h GLU 33 Cb 0.80 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.40 2jxt h GLU 33 CO -0.37 0.04 0.38 0.93 -1.16 0.00 0.00 179.01 178.83 2jxt h GLU 34 N 0.06 1.13 -0.04 2.33 4.39 -1.65 -3.00 114.58 117.80 2jxt h GLU 34 Ca 0.37 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2jxt h GLU 34 Cb 0.62 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2jxt h GLU 34 CO -0.67 0.88 0.01 0.82 -1.16 0.00 0.00 179.01 178.89 2jxt h ILE 35 N 1.11 0.99 0.31 3.13 2.04 -0.87 -2.87 117.51 121.35 2jxt h ILE 35 Ca 0.27 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.12 2jxt h ILE 35 Cb 0.11 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2jxt h ILE 35 CO -0.03 0.01 -0.35 1.88 0.00 0.00 0.00 178.15 179.65 2jxt h TYR 36 N 0.03 -0.96 0.00 1.37 0.05 -1.04 -0.52 116.97 115.90 2jxt h TYR 36 Ca 0.02 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 2jxt h TYR 36 Cb 0.01 0.38 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 2jxt h TYR 36 CO -0.09 -0.49 -0.04 1.05 -1.05 0.00 0.00 178.16 177.54 2jxt h GLU 37 N -0.71 0.00 0.05 4.88 4.11 -1.57 -1.40 114.58 119.95 2jxt h GLU 37 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.32 2jxt h GLU 37 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2jxt h GLU 37 CO -0.09 0.04 -0.45 0.00 0.07 0.00 0.00 179.01 178.58 2jxt h ARG 38 N 0.00 0.11 -0.17 1.06 2.47 -1.18 -3.21 114.38 113.45 2jxt h ARG 38 Ca -0.00 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 2jxt h ARG 38 Cb 0.13 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.51 2jxt h ARG 38 CO 0.00 1.09 0.01 -0.07 0.56 0.00 0.00 179.97 181.56 2jxt h LEU 39 N -0.76 0.29 -1.48 3.04 3.38 -0.80 -0.21 115.31 118.77 2jxt h LEU 39 Ca -0.09 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.67 2jxt h LEU 39 Cb 1.27 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 2jxt h LEU 39 CO 0.03 0.51 0.46 1.88 0.09 0.00 0.00 178.44 181.41 2jxt h TYR 40 N 0.06 0.63 -0.03 1.13 0.05 -1.45 -1.67 116.97 115.69 2jxt h TYR 40 Ca 0.05 0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.79 2jxt h TYR 40 Cb 0.36 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.90 2jxt h TYR 40 CO 0.03 0.31 -0.21 1.03 -1.05 0.00 0.00 178.16 178.27 2jxt h SER 41 N 0.60 0.24 0.60 3.88 0.87 -1.49 -2.45 113.55 115.80 2jxt h SER 41 Ca 0.31 -0.68 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 2jxt h SER 41 Cb 0.43 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2jxt h SER 41 CO -0.10 0.88 -0.29 -0.08 -0.53 0.00 0.00 176.83 176.71 2jxt h GLU 42 N -0.38 -0.78 -0.15 2.24 4.81 -0.67 -1.17 114.58 118.47 2jxt h GLU 42 Ca -0.02 0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2jxt h GLU 42 Cb 0.89 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 2jxt h GLU 42 CO 0.04 -0.50 0.10 0.74 -0.73 0.00 0.00 179.01 178.66 2jxt h PHE 43 N -0.86 0.12 0.00 0.92 -1.00 -1.46 0.17 116.94 114.83 2jxt h PHE 43 Ca -0.08 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 2jxt h PHE 43 Cb 0.64 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 40.16 2jxt h PHE 43 CO -0.02 0.07 -0.15 0.78 -1.61 0.00 0.00 178.31 177.37 2jxt h GLY 44 N 0.12 0.00 0.00 -1.45 0.00 -0.99 0.65 103.07 101.40 2jxt h GLY 44 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2jxt h GLY 44 CO -0.01 0.00 -0.45 1.44 0.00 0.00 0.00 176.54 177.52 2jxt n SER 45 N -3.49 1.64 0.23 0.19 7.64 0.41 -2.79 113.62 117.45 2jxt n SER 45 Ca -0.01 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.59 2jxt n SER 45 Cb 0.31 -0.84 0.38 0.00 -1.01 0.00 0.00 64.21 63.05 2jxt n SER 45 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2jxt h LYS 46 N -0.91 0.00 0.00 1.43 2.10 -1.15 -3.34 116.57 114.70 2jxt h LYS 46 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jxt h LYS 46 Cb 0.45 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.78 2jxt h LYS 46 CO 0.00 0.14 -0.01 1.58 -2.00 0.00 0.00 179.45 179.16 2jxt n HIS 47 N -3.20 0.00 -3.30 0.07 -0.00 -0.44 -5.03 115.22 103.32 2jxt n HIS 47 Ca 0.02 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 57.96 2jxt n HIS 47 Cb 0.47 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.37 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 -0.45 -4.90 -3.29 1.57 1.74 0.21 -4.91 116.66 106.63 2jxt n ARG 48 Ca 0.00 0.74 -0.39 0.00 -0.77 0.00 0.00 57.85 57.42 2jxt n ARG 48 Cb 0.00 -5.58 -0.07 0.00 -1.02 0.00 0.00 32.46 25.78 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 -3.14 5.12 0.68 1.55 1.01 -0.41 -4.85 120.40 120.36 2jxt s VAL 49 Ca 0.41 0.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.11 2jxt s VAL 49 Cb -0.20 -3.80 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 2jxt s VAL 49 CO 0.51 0.15 1.05 -2.16 0.00 0.00 0.00 175.10 174.66 2jxt s PRO 50 N 1.88 3.10 0.38 2.72 0.04 -1.26 -3.23 135.00 138.63 2jxt s PRO 50 Ca 0.21 0.85 0.13 0.00 0.04 0.00 0.00 61.00 62.22 2jxt s PRO 50 Cb -0.15 -2.02 0.93 0.00 0.04 0.00 0.00 34.50 33.30 2jxt s PRO 50 CO 0.09 -0.96 1.86 0.07 0.04 0.00 0.00 177.00 178.11 2jxt h ARG 51 N -0.61 0.55 0.00 4.56 0.11 -1.94 0.30 114.38 117.34 2jxt h ARG 51 Ca -0.44 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2jxt h ARG 51 Cb 1.21 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.17 2jxt h ARG 51 CO 0.59 0.36 0.00 0.45 0.10 0.00 0.00 179.97 181.47 2jxt n SER 52 N -4.55 0.20 -0.12 0.08 2.88 -1.26 -2.09 113.62 108.76 2jxt n SER 52 Ca 0.18 0.57 0.06 0.00 -1.33 0.00 0.00 58.87 58.35 2jxt n SER 52 Cb 0.56 -0.61 0.08 0.00 -0.75 0.00 0.00 64.21 63.49 2jxt n SER 52 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jxt n LYS 53 N -1.75 1.37 -3.91 -1.46 4.76 0.08 -4.97 118.16 112.28 2jxt n LYS 53 Ca 0.01 -1.95 -0.35 0.00 -2.87 0.00 0.00 58.31 53.15 2jxt n LYS 53 Cb 0.08 -1.16 -0.14 0.00 -1.84 0.00 0.00 35.03 31.97 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 -1.81 3.06 -0.15 -0.18 1.01 -0.89 -2.56 120.40 118.88 2jxt s VAL 54 Ca 0.18 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2jxt s VAL 54 Cb 0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2jxt s VAL 54 CO 0.02 0.03 0.04 -0.75 0.00 0.00 0.00 175.10 174.43 2jxt s LYS 55 N 1.31 3.70 -0.21 2.72 2.47 0.15 -4.99 119.74 124.89 2jxt s LYS 55 Ca -0.02 -0.37 -0.08 0.00 -1.56 0.00 0.00 55.97 53.94 2jxt s LYS 55 Cb -0.18 -3.08 -0.04 0.00 -1.46 0.00 0.00 37.83 33.07 2jxt s LYS 55 CO -0.02 0.39 0.08 0.42 0.16 0.00 0.00 175.35 176.38 2jxt s ILE 56 N 0.02 4.73 -0.12 5.43 1.01 -1.26 0.22 121.20 131.23 2jxt s ILE 56 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.57 2jxt s ILE 56 Cb -0.12 -3.16 -0.03 0.00 0.01 0.00 0.00 42.46 39.16 2jxt s ILE 56 CO 0.01 0.41 -0.16 -0.62 0.00 0.00 0.00 174.94 174.58 2jxt n GLU 57 N 4.01 0.39 -4.07 2.79 1.02 0.99 -4.94 120.64 120.84 2jxt n GLU 57 Ca -0.16 0.48 -0.11 0.00 -0.02 0.00 0.00 57.16 57.35 2jxt n GLU 57 Cb 0.52 -1.56 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 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 -2.10 0.56 -0.24 3.49 2.56 0.13 -5.01 118.70 118.08 2jxt s GLU 58 Ca -0.13 -0.91 -0.01 0.00 0.00 0.00 0.00 54.97 53.92 2jxt s GLU 58 Cb 0.02 -0.12 0.07 0.00 2.00 0.00 0.00 34.13 36.10 2jxt s GLU 58 CO 0.20 -0.01 0.04 0.42 -0.56 0.00 0.00 175.26 175.35 2jxt s ILE 59 N -2.20 0.91 -0.27 -3.70 1.01 -1.26 -0.51 121.20 115.18 2jxt s ILE 59 Ca -0.04 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.46 2jxt s ILE 59 Cb -0.04 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.93 2jxt s ILE 59 CO -0.02 -0.35 0.25 -0.70 0.00 0.00 0.00 174.94 174.12 2jxt s GLU 60 N 1.65 3.99 -0.27 2.79 2.12 -0.38 -4.92 118.70 123.68 2jxt s GLU 60 Ca 0.02 -0.19 -0.26 0.00 0.36 0.00 0.00 54.97 54.90 2jxt s GLU 60 Cb -0.18 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.58 2jxt s GLU 60 CO -0.13 -0.18 0.90 -2.00 -0.54 0.00 0.00 175.26 173.31 2jxt s GLU 61 N 1.76 4.11 0.35 4.30 2.12 -1.26 0.65 118.70 130.72 2jxt s GLU 61 Ca 0.10 0.93 0.05 0.00 0.36 0.00 0.00 54.97 56.40 2jxt s GLU 61 Cb -0.16 -3.69 -0.07 0.00 0.26 0.00 0.00 34.13 30.48 2jxt s GLU 61 CO 0.10 -0.65 0.05 0.96 -0.54 0.00 0.00 175.26 175.17 2jxt s ILE 62 N 3.08 1.40 0.45 -3.70 -4.36 0.20 -4.97 121.20 113.29 2jxt s ILE 62 Ca 0.37 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 58.69 2jxt s ILE 62 Cb -0.14 -2.84 -0.05 0.00 1.25 0.00 0.00 42.46 40.68 2jxt s ILE 62 CO 0.10 0.00 0.77 -0.44 0.24 0.00 0.00 174.94 175.61 2jxt s SER 63 N -3.55 6.36 0.30 4.36 0.01 -1.26 -3.51 113.70 116.41 2jxt s SER 63 Ca 0.36 1.00 0.05 0.00 1.31 0.00 0.00 55.95 58.66 2jxt s SER 63 Cb 0.09 -2.27 0.70 0.00 0.21 0.00 0.00 66.02 64.74 2jxt s SER 63 CO 0.16 -0.50 1.80 1.55 0.41 0.00 0.00 173.24 176.66 2jxt h PRO 64 N 0.66 0.80 -0.01 12.44 0.13 -1.96 -0.59 132.00 143.47 2jxt h PRO 64 Ca -0.47 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2jxt h PRO 64 Cb 1.20 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2jxt h PRO 64 CO 0.63 0.53 -0.04 -0.85 -0.23 0.00 0.00 178.00 178.04 2jxt n GLU 65 N -4.71 1.33 -0.07 0.86 0.28 -1.26 -3.23 120.64 113.83 2jxt n GLU 65 Ca 0.22 -0.62 0.12 0.00 -0.16 0.00 0.00 57.16 56.72 2jxt n GLU 65 Cb 0.51 -1.49 0.29 0.00 1.43 0.00 0.00 31.44 32.19 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 -0.30 2.08 -2.90 3.44 1.02 -0.23 -4.94 120.64 118.81 2jxt n GLU 66 Ca 0.19 -1.60 -0.40 0.00 -0.02 0.00 0.00 57.16 55.33 2jxt n GLU 66 Cb 0.29 -1.46 -0.05 0.00 -0.02 0.00 0.00 31.44 30.20 2jxt n GLU 66 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2jxt s VAL 67 N -1.81 4.69 -0.07 2.62 1.01 -1.20 -4.91 120.40 120.73 2jxt s VAL 67 Ca 0.34 1.77 0.14 0.00 0.00 0.00 0.00 61.98 64.23 2jxt s VAL 67 Cb 0.20 -4.18 -0.18 0.00 0.00 0.00 0.00 36.38 32.22 2jxt s VAL 67 CO 0.30 0.34 0.80 1.56 0.00 0.00 0.00 175.10 178.09 2jxt h GLN 68 N 5.75 0.00 -6.26 2.72 1.08 -1.92 -3.46 115.11 113.03 2jxt h GLN 68 Ca -0.43 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.20 2jxt h GLN 68 Cb 1.21 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.62 2jxt h GLN 68 CO 0.72 0.44 1.17 0.34 -0.95 0.00 0.00 178.83 180.55 2jxt s ASP 69 N -6.02 6.31 0.28 1.46 -1.08 -1.26 -4.90 116.67 111.46 2jxt s ASP 69 Ca -0.03 1.79 0.25 0.00 -0.52 0.00 0.00 52.55 54.04 2jxt s ASP 69 Cb 0.08 -2.53 0.98 0.00 -1.46 0.00 0.00 42.92 40.00 2jxt s ASP 69 CO 0.82 -1.29 1.74 1.55 0.52 0.00 0.00 175.17 178.51 2jxt h PRO 70 N 11.09 0.00 0.00 4.34 0.13 -1.99 -2.26 132.00 143.31 2jxt h PRO 70 Ca -0.36 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.72 2jxt h PRO 70 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2jxt h PRO 70 CO 0.99 0.00 -0.37 0.28 -0.23 0.00 0.00 178.00 178.67 2jxt h VAL 71 N 0.00 0.73 -0.39 1.56 2.07 -1.98 -3.24 116.25 114.99 2jxt h VAL 71 Ca 0.00 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 2jxt h VAL 71 Cb 0.44 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 2jxt h VAL 71 CO 0.00 0.25 0.07 0.58 0.02 0.00 0.00 177.57 178.49 2jxt h VAL 72 N -1.00 1.24 -0.89 2.57 2.07 -1.88 -0.99 116.25 117.37 2jxt h VAL 72 Ca -0.07 -0.85 0.13 0.00 0.82 0.00 0.00 66.70 66.73 2jxt h VAL 72 Cb 0.67 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 31.39 2jxt h VAL 72 CO -0.04 0.29 0.50 0.50 0.02 0.00 0.00 177.57 178.84 2jxt h LYS 73 N 0.50 0.74 -0.35 1.57 3.64 -1.59 -0.54 116.57 120.53 2jxt h LYS 73 Ca 0.12 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 2jxt h LYS 73 Cb 0.36 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2jxt h LYS 73 CO 0.01 0.49 -0.44 0.00 -2.27 0.00 0.00 179.45 177.23 2jxt h ALA 74 N 1.53 0.53 -0.85 5.00 0.00 -1.54 -0.13 119.26 123.80 2jxt h ALA 74 Ca 0.46 -0.48 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2jxt h ALA 74 Cb 0.56 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2jxt h ALA 74 CO -0.31 0.67 0.55 1.25 0.00 0.00 0.00 179.25 181.41 2jxt h LEU 75 N 0.73 0.71 0.05 0.00 6.46 0.22 -1.34 115.31 122.14 2jxt h LEU 75 Ca 0.04 0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 57.67 2jxt h LEU 75 Cb 1.04 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 2jxt h LEU 75 CO 0.10 0.41 -0.82 0.58 -0.62 0.00 0.00 178.44 178.10 2jxt h VAL 76 N 0.78 1.32 0.00 1.05 2.07 -1.11 -3.36 116.25 117.00 2jxt h VAL 76 Ca 0.40 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2jxt h VAL 76 Cb 0.48 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2jxt h VAL 76 CO -0.16 0.56 0.00 0.00 0.02 0.00 0.00 177.57 177.99 2jxt n GLN 77 N -4.32 0.13 0.14 1.57 6.02 -0.07 -0.82 117.38 120.02 2jxt n GLN 77 Ca -0.20 0.21 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 2jxt n GLN 77 Cb 0.69 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.48 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 0.00 0.00 -1.09 0.11 -1.40 -3.29 114.38 108.71 2jxt h ARG 78 Ca 0.00 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.02 2jxt h ARG 78 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 2jxt h ARG 78 CO 0.00 0.49 -1.92 1.47 0.10 0.00 0.00 179.97 180.11 2jxt n LEU 79 N -3.23 0.13 -4.56 0.08 -0.00 -0.00 -4.80 117.00 104.62 2jxt n LEU 79 Ca 0.02 0.05 -0.32 0.00 -0.00 0.00 0.00 56.01 55.77 2jxt n LEU 79 Cb 0.73 0.07 -0.04 0.00 -0.00 0.00 0.00 43.42 44.17 2jxt n LEU 79 CO 0.40 0.06 1.42 -1.61 -0.00 0.00 0.00 177.39 177.65 2jxt s GLU 80 N -3.33 2.69 -1.13 1.47 0.41 -0.38 -4.90 118.70 113.52 2jxt s GLU 80 Ca -0.07 -0.14 -0.19 0.00 -0.41 0.00 0.00 54.97 54.16 2jxt s GLU 80 Cb 0.12 -4.89 -0.05 0.00 -1.78 0.00 0.00 34.13 27.53 2jxt s GLU 80 CO 0.88 -3.06 1.97 -2.39 -0.49 0.00 0.00 175.26 172.17 2jxt n HIS 81 N 13.02 2.99 -0.08 1.61 1.44 -1.26 -4.35 115.22 128.59 2jxt n HIS 81 Ca 0.33 -2.22 -0.10 0.00 -2.01 0.00 0.00 57.72 53.72 2jxt n HIS 81 Cb 0.49 -2.29 -0.08 0.00 0.12 0.00 0.00 29.99 28.22 2jxt n HIS 81 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jxt n HIS 82 N 8.80 0.00 0.31 -1.40 8.25 -1.26 -4.50 115.22 125.42 2jxt n HIS 82 Ca 0.49 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 58.11 2jxt n HIS 82 Cb 0.42 -0.64 0.72 0.00 1.12 0.00 0.00 29.99 31.61 2jxt n HIS 82 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2jxt h HIS 83 N 0.00 0.00 -3.23 4.41 6.17 -1.94 -3.43 115.15 117.13 2jxt h HIS 83 Ca -0.37 0.00 -0.53 0.00 0.71 0.00 0.00 60.37 60.19 2jxt h HIS 83 Cb 1.62 0.00 0.05 0.00 2.52 0.00 0.00 27.41 31.60 2jxt h HIS 83 CO 0.02 0.00 0.78 -1.58 0.71 0.00 0.00 177.93 177.86 2jxt s HIS 84 N -3.64 3.05 0.61 5.26 5.04 -1.26 -5.01 115.29 119.34 2jxt s HIS 84 Ca 0.00 0.94 -0.14 0.00 -1.54 0.00 0.00 55.06 54.32 2jxt s HIS 84 Cb 0.09 -3.83 -0.03 0.00 0.04 0.00 0.00 32.58 28.86 2jxt s HIS 84 CO 0.42 -2.79 1.05 -1.01 -2.34 0.00 0.00 174.74 170.07 2jxt s HIS 85 N 0.33 3.09 -2.00 3.88 3.76 -1.26 -5.12 115.29 117.98 2jxt s HIS 85 Ca 0.62 1.48 0.23 0.00 -0.15 0.00 0.00 55.06 57.24 2jxt s HIS 85 Cb -0.42 -2.94 1.36 0.00 1.11 0.00 0.00 32.58 31.69 2jxt s HIS 85 CO 0.40 -1.04 1.73 1.58 -0.85 0.00 0.00 174.74 176.56