#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 1.25 -0.30 0.03 -2.85 -1.26 -5.12 119.74 111.49 2jxt s LYS 2 Ca 0.00 -1.37 -0.03 0.00 -1.00 0.00 0.00 55.97 53.57 2jxt s LYS 2 Cb 0.00 -1.33 0.10 0.00 -2.06 0.00 0.00 37.83 34.55 2jxt s LYS 2 CO 0.00 0.27 0.13 0.00 0.10 0.00 0.00 175.35 175.86 2jxt s MET 3 N -2.67 0.26 -0.23 1.78 0.23 -1.26 -5.10 119.30 112.31 2jxt s MET 3 Ca 0.14 -0.63 -0.06 0.00 -1.03 0.00 0.00 55.69 54.11 2jxt s MET 3 Cb -0.06 -1.24 0.11 0.00 -1.53 0.00 0.00 34.83 32.11 2jxt s MET 3 CO 0.06 -1.03 0.45 0.21 -2.03 0.00 0.00 175.02 172.68 2jxt s LYS 4 N 1.99 0.37 0.14 3.16 2.20 -1.26 -5.14 119.74 121.20 2jxt s LYS 4 Ca 0.10 0.96 -0.34 0.00 -0.36 0.00 0.00 55.97 56.33 2jxt s LYS 4 Cb -0.17 0.22 -0.16 0.00 -1.51 0.00 0.00 37.83 36.21 2jxt s LYS 4 CO -0.33 -0.36 1.21 -2.37 -0.36 0.00 0.00 175.35 173.13 2jxt n THR 5 N 5.39 0.62 -4.35 3.43 5.66 -1.26 -4.97 114.28 118.80 2jxt n THR 5 Ca -0.07 -0.15 -0.32 0.00 -3.05 0.00 0.00 64.05 60.46 2jxt n THR 5 Cb 0.50 -0.81 -0.10 0.00 -1.55 0.00 0.00 70.33 68.37 2jxt n THR 5 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2jxt s LYS 6 N -0.12 2.57 -0.32 1.09 1.02 0.05 -4.80 119.74 119.23 2jxt s LYS 6 Ca 0.77 -0.74 -0.24 0.00 0.02 0.00 0.00 55.97 55.78 2jxt s LYS 6 Cb -0.89 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2jxt s LYS 6 CO 0.51 0.59 0.83 0.42 -0.92 0.00 0.00 175.35 176.78 2jxt s ILE 7 N -1.08 4.74 -0.26 2.17 1.09 -1.17 -0.43 121.20 126.27 2jxt s ILE 7 Ca 0.19 1.18 -0.10 0.00 -1.10 0.00 0.00 60.65 60.82 2jxt s ILE 7 Cb -0.11 -4.20 -0.05 0.00 -1.06 0.00 0.00 42.46 37.04 2jxt s ILE 7 CO 0.10 -0.33 0.16 -0.36 -0.10 0.00 0.00 174.94 174.41 2jxt s PHE 8 N 3.09 3.23 -0.75 3.97 0.08 0.97 -0.44 117.98 128.13 2jxt s PHE 8 Ca 0.34 0.07 -0.22 0.00 0.12 0.00 0.00 56.93 57.24 2jxt s PHE 8 Cb -0.14 -2.31 0.08 0.00 -0.57 0.00 0.00 43.02 40.09 2jxt s PHE 8 CO 0.14 -0.10 1.07 0.50 -0.10 0.00 0.00 175.22 176.73 2jxt s ARG 9 N 1.43 3.26 0.32 0.44 3.52 -0.40 -2.22 118.95 125.30 2jxt s ARG 9 Ca 0.07 -0.99 -0.26 0.00 -0.13 0.00 0.00 55.73 54.42 2jxt s ARG 9 Cb -0.15 -4.46 -0.10 0.00 -1.56 0.00 0.00 34.95 28.69 2jxt s ARG 9 CO 0.07 -1.88 0.98 0.08 -0.81 0.00 0.00 175.30 173.75 2jxt s VAL 10 N 4.03 4.02 -0.08 7.11 1.01 0.22 -0.77 120.40 135.95 2jxt s VAL 10 Ca 0.28 1.72 -0.00 0.00 0.00 0.00 0.00 61.98 63.97 2jxt s VAL 10 Cb -0.12 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.31 2jxt s VAL 10 CO 0.05 0.18 -0.05 -0.75 0.00 0.00 0.00 175.10 174.53 2jxt s LYS 11 N -1.98 1.07 0.00 2.72 2.47 0.10 -1.24 119.74 122.87 2jxt s LYS 11 Ca 0.50 -0.11 0.00 0.00 -1.56 0.00 0.00 55.97 54.80 2jxt s LYS 11 Cb -0.22 -1.19 0.00 0.00 -1.46 0.00 0.00 37.83 34.97 2jxt s LYS 11 CO 0.27 -0.21 0.00 0.41 0.16 0.00 0.00 175.35 175.98 2jxt n GLY 12 N 4.71 1.42 2.93 5.54 0.00 -0.99 -0.59 105.19 118.20 2jxt n GLY 12 Ca -0.14 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 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 1.04 0.47 -0.00 1.61 1.02 0.56 -0.28 119.74 124.15 2jxt s LYS 13 Ca 0.00 -0.13 0.02 0.00 0.02 0.00 0.00 55.97 55.88 2jxt s LYS 13 Cb 0.00 -0.48 -0.03 0.00 -0.52 0.00 0.00 37.83 36.79 2jxt s LYS 13 CO 0.00 0.04 -0.03 -0.59 -0.92 0.00 0.00 175.35 173.85 2jxt s PHE 14 N 0.22 2.99 -0.64 3.18 -0.71 0.41 -0.62 117.98 122.81 2jxt s PHE 14 Ca -0.02 0.03 -0.27 0.00 -1.04 0.00 0.00 56.93 55.63 2jxt s PHE 14 Cb -0.06 -1.65 0.01 0.00 -1.21 0.00 0.00 43.02 40.11 2jxt s PHE 14 CO -0.00 0.42 1.50 -1.17 -1.34 0.00 0.00 175.22 174.62 2jxt s LEU 15 N -1.45 3.27 -0.24 -1.99 1.98 -0.44 -1.29 118.68 118.53 2jxt s LEU 15 Ca 0.18 0.02 0.02 0.00 -2.89 0.00 0.00 54.13 51.46 2jxt s LEU 15 Cb -0.11 -2.71 0.05 0.00 0.66 0.00 0.00 46.19 44.08 2jxt s LEU 15 CO 0.08 -1.96 -0.13 -0.32 -1.89 0.00 0.00 176.35 172.14 2jxt s MET 16 N 6.06 2.48 -1.19 1.98 1.75 0.96 -4.75 119.30 126.59 2jxt s MET 16 Ca 0.50 -1.19 -0.05 0.00 -1.25 0.00 0.00 55.69 53.70 2jxt s MET 16 Cb -0.10 -2.82 0.01 0.00 2.84 0.00 0.00 34.83 34.76 2jxt s MET 16 CO 0.20 -0.46 1.02 0.41 -0.65 0.00 0.00 175.02 175.54 2jxt n GLY 17 N 4.50 -0.37 2.93 2.11 0.00 -1.26 -2.06 105.19 111.04 2jxt n GLY 17 Ca -0.16 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.72 -4.09 -4.45 1.61 8.00 -1.26 -4.98 116.55 108.66 2jxt n ASP 18 Ca -0.09 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.12 2jxt n ASP 18 Cb 0.59 -2.49 -0.12 0.00 -0.02 0.00 0.00 41.12 39.08 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 -1.29 1.83 -0.47 -1.24 1.02 -0.88 -5.11 119.74 113.60 2jxt s LYS 19 Ca 0.00 -1.13 -0.20 0.00 0.02 0.00 0.00 55.97 54.67 2jxt s LYS 19 Cb 0.00 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.26 2jxt s LYS 19 CO 0.00 0.50 0.63 -0.51 -0.92 0.00 0.00 175.35 175.05 2jxt s LEU 20 N -1.77 4.72 -0.08 3.17 1.43 -1.26 -0.03 118.68 124.86 2jxt s LEU 20 Ca 0.15 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 2jxt s LEU 20 Cb -0.10 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.50 2jxt s LEU 20 CO 0.07 -0.83 0.28 -1.10 0.23 0.00 0.00 176.35 175.00 2jxt s GLN 21 N 2.72 3.81 0.28 1.70 1.11 -0.41 -4.81 119.66 124.07 2jxt s GLN 21 Ca 0.18 0.14 -0.29 0.00 0.01 0.00 0.00 55.36 55.40 2jxt s GLN 21 Cb -0.17 -3.25 -0.10 0.00 -1.01 0.00 0.00 33.01 28.49 2jxt s GLN 21 CO 0.15 0.63 1.16 -1.25 0.01 0.00 0.00 175.29 176.00 2jxt s PRO 22 N -0.73 4.55 0.16 2.91 0.04 -1.26 -0.44 135.00 140.23 2jxt s PRO 22 Ca 0.19 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.20 2jxt s PRO 22 Cb -0.14 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 2jxt s PRO 22 CO 0.08 0.08 -0.10 -0.59 0.04 0.00 0.00 177.00 176.50 2jxt s PHE 23 N -1.04 1.34 -0.30 0.56 -0.12 0.61 -4.90 117.98 114.14 2jxt s PHE 23 Ca 0.47 -0.75 -0.03 0.00 -0.05 0.00 0.00 56.93 56.57 2jxt s PHE 23 Cb -0.34 -0.68 0.11 0.00 -0.63 0.00 0.00 43.02 41.48 2jxt s PHE 23 CO 0.44 0.11 0.17 0.99 -0.05 0.00 0.00 175.22 176.88 2jxt s THR 24 N -3.29 -0.11 -0.33 -4.49 2.01 -1.26 -2.34 115.64 105.84 2jxt s THR 24 Ca 0.18 -0.84 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2jxt s THR 24 Cb 0.02 -0.99 0.02 0.00 0.01 0.00 0.00 72.50 71.56 2jxt s THR 24 CO 0.02 -0.72 0.13 -0.54 -0.69 0.00 0.00 174.62 172.82 2jxt s LYS 25 N 1.99 2.95 -0.49 4.92 -0.14 -0.37 -4.88 119.74 123.73 2jxt s LYS 25 Ca 0.10 -0.97 -0.23 0.00 -1.36 0.00 0.00 55.97 53.52 2jxt s LYS 25 Cb -0.17 -3.52 0.04 0.00 -1.68 0.00 0.00 37.83 32.50 2jxt s LYS 25 CO -0.31 -0.56 0.81 -1.21 -0.76 0.00 0.00 175.35 173.32 2jxt s GLU 26 N 1.51 3.33 0.09 1.68 2.02 -1.26 -0.61 118.70 125.46 2jxt s GLU 26 Ca 0.02 -0.28 0.02 0.00 0.02 0.00 0.00 54.97 54.74 2jxt s GLU 26 Cb -0.18 -4.00 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 2jxt s GLU 26 CO 0.04 -1.25 -0.06 -0.48 0.02 0.00 0.00 175.26 173.53 2jxt s LEU 27 N 3.39 2.47 0.02 1.80 2.34 -0.94 -4.83 118.68 122.93 2jxt s LEU 27 Ca 0.28 -0.94 -0.18 0.00 0.06 0.00 0.00 54.13 53.34 2jxt s LEU 27 Cb -0.13 -0.06 -0.06 0.00 -0.56 0.00 0.00 46.19 45.38 2jxt s LEU 27 CO 0.20 -0.44 0.52 0.54 -1.06 0.00 0.00 176.35 176.11 2jxt s ASN 28 N -2.82 6.94 0.26 1.48 4.22 -1.26 -0.02 114.94 123.73 2jxt s ASN 28 Ca 0.08 1.12 -0.21 0.00 -2.14 0.00 0.00 52.86 51.71 2jxt s ASN 28 Cb 0.03 -2.32 0.03 0.00 1.28 0.00 0.00 41.25 40.27 2jxt s ASN 28 CO -0.04 0.22 0.69 0.00 -2.04 0.00 0.00 177.10 175.93 2jxt s ALA 29 N -0.73 -1.26 -0.12 3.54 0.00 0.43 -4.91 121.76 118.70 2jxt s ALA 29 Ca 0.28 -0.18 -0.18 0.00 0.00 0.00 0.00 51.96 51.88 2jxt s ALA 29 Cb -0.18 0.86 -0.26 0.00 0.00 0.00 0.00 23.12 23.54 2jxt s ALA 29 CO 0.16 -0.99 0.53 0.82 0.00 0.00 0.00 175.76 176.28 2jxt h ILE 30 N 2.01 1.08 -2.61 0.00 5.03 -1.93 0.17 117.51 121.24 2jxt h ILE 30 Ca -0.22 -2.37 -0.05 0.00 -0.12 0.00 0.00 64.86 62.11 2jxt h ILE 30 Cb 1.26 2.70 -0.00 0.00 -3.03 0.00 0.00 36.82 37.75 2jxt h ILE 30 CO 0.26 0.65 0.08 -2.11 -0.68 0.00 0.00 178.15 176.35 2jxt n ARG 31 N -4.04 0.50 -0.04 2.37 0.00 -1.26 -4.85 116.66 109.34 2jxt n ARG 31 Ca -0.25 -1.16 0.05 0.00 -0.00 0.00 0.00 57.85 56.49 2jxt n ARG 31 Cb 0.84 1.35 0.41 0.00 -0.00 0.00 0.00 32.46 35.06 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 0.58 -0.09 2.89 5.08 -2.00 -2.29 114.58 118.76 2jxt h GLU 32 Ca -0.16 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 2jxt h GLU 32 Cb 0.60 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2jxt h GLU 32 CO 0.20 0.39 -0.38 0.93 -1.00 0.00 0.00 179.01 179.15 2jxt h GLU 33 N 0.60 -0.46 -0.62 2.33 5.08 -2.00 -1.77 114.58 117.74 2jxt h GLU 33 Ca 0.19 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.70 2jxt h GLU 33 Cb 0.01 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.28 2jxt h GLU 33 CO -0.04 -0.31 0.13 0.93 -1.00 0.00 0.00 179.01 178.72 2jxt h GLU 34 N -0.48 0.25 -0.06 2.33 4.39 -1.83 -2.43 114.58 116.74 2jxt h GLU 34 Ca 0.08 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.80 2jxt h GLU 34 Cb 0.60 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.15 2jxt h GLU 34 CO -0.36 0.16 -0.21 0.82 -1.16 0.00 0.00 179.01 178.26 2jxt h ILE 35 N 0.25 0.49 0.60 3.13 2.04 -1.22 -2.08 117.51 120.71 2jxt h ILE 35 Ca 0.33 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.17 2jxt h ILE 35 Cb 0.51 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2jxt h ILE 35 CO -0.43 0.00 -0.41 1.88 0.00 0.00 0.00 178.15 179.20 2jxt h TYR 36 N -0.30 -1.09 -0.57 1.37 0.05 -0.87 -0.23 116.97 115.33 2jxt h TYR 36 Ca 0.08 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.88 2jxt h TYR 36 Cb 0.41 0.40 -0.03 0.00 1.01 0.00 0.00 36.73 38.52 2jxt h TYR 36 CO -0.28 -0.60 0.38 0.93 -1.05 0.00 0.00 178.16 177.53 2jxt h GLU 37 N -0.96 0.65 0.18 4.88 4.39 -1.46 -0.85 114.58 121.40 2jxt h GLU 37 Ca -0.07 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 2jxt h GLU 37 Cb 0.80 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2jxt h GLU 37 CO 0.05 0.43 -0.09 0.00 -1.16 0.00 0.00 179.01 178.24 2jxt h ARG 38 N 0.66 -0.24 -0.44 2.33 2.47 -1.22 -3.18 114.38 114.77 2jxt h ARG 38 Ca 0.23 0.02 0.04 0.00 -1.26 0.00 0.00 59.98 59.01 2jxt h ARG 38 Cb 0.08 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 2jxt h ARG 38 CO -0.06 0.12 0.20 -0.07 0.56 0.00 0.00 179.97 180.72 2jxt h LEU 39 N -0.95 0.26 -1.07 3.04 3.38 -0.92 0.22 115.31 119.27 2jxt h LEU 39 Ca -0.03 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.10 2jxt h LEU 39 Cb 0.46 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 2jxt h LEU 39 CO 0.04 0.19 0.62 1.88 0.09 0.00 0.00 178.44 181.26 2jxt h TYR 40 N 0.40 1.08 0.00 1.13 0.05 -1.30 0.82 116.97 119.15 2jxt h TYR 40 Ca 0.20 0.03 -0.21 0.00 0.05 0.00 0.00 58.73 58.80 2jxt h TYR 40 Cb 0.14 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.51 2jxt h TYR 40 CO -0.12 0.44 -0.98 1.03 -1.05 0.00 0.00 178.16 177.47 2jxt h SER 41 N 0.95 0.00 0.39 3.88 0.87 -1.35 -0.78 113.55 117.52 2jxt h SER 41 Ca 0.48 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 61.02 2jxt h SER 41 Cb 0.50 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2jxt h SER 41 CO -0.24 0.98 -0.19 -0.08 -0.53 0.00 0.00 176.83 176.78 2jxt h GLU 42 N 0.00 -0.50 -0.56 2.24 4.81 0.63 0.13 114.58 121.33 2jxt h GLU 42 Ca -0.01 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 2jxt h GLU 42 Cb 1.76 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 31.22 2jxt h GLU 42 CO 0.13 -0.25 0.32 0.74 -0.73 0.00 0.00 179.01 179.22 2jxt h PHE 43 N -0.67 0.74 0.00 0.92 0.04 -0.99 0.44 116.94 117.42 2jxt h PHE 43 Ca -0.05 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 2jxt h PHE 43 Cb 0.48 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2jxt h PHE 43 CO -0.01 0.51 0.00 0.41 -0.60 0.00 0.00 178.31 178.61 2jxt n GLY 44 N -1.31 -1.06 0.02 -1.45 0.00 -0.30 0.74 105.19 101.83 2jxt n GLY 44 Ca 0.05 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 2jxt n GLY 44 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jxt n SER 45 N -2.07 0.55 0.24 1.61 2.88 0.41 -3.29 113.62 113.94 2jxt n SER 45 Ca 0.01 0.14 0.12 0.00 -1.33 0.00 0.00 58.87 57.81 2jxt n SER 45 Cb 0.15 -0.58 0.51 0.00 -0.75 0.00 0.00 64.21 63.55 2jxt n SER 45 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2jxt h LYS 46 N -0.29 0.00 0.00 -1.46 2.10 -1.11 -3.24 116.57 112.57 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 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 2jxt h LYS 46 CO 0.00 0.17 0.00 0.72 -2.00 0.00 0.00 179.45 178.34 2jxt n HIS 47 N -3.33 0.00 -3.84 0.07 8.25 -0.56 -5.03 115.22 110.77 2jxt n HIS 47 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2jxt n HIS 47 Cb 0.40 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.62 -5.76 -3.30 -0.41 1.74 0.23 -4.91 116.66 103.62 2jxt n ARG 48 Ca 0.00 0.63 -0.38 0.00 -0.77 0.00 0.00 57.85 57.33 2jxt n ARG 48 Cb 0.01 -5.50 -0.06 0.00 -1.02 0.00 0.00 32.46 25.89 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 -3.36 5.16 0.32 1.55 1.01 -0.53 -4.85 120.40 119.71 2jxt s VAL 49 Ca 0.54 0.93 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 2jxt s VAL 49 Cb -0.27 -3.82 -0.12 0.00 0.00 0.00 0.00 36.38 32.17 2jxt s VAL 49 CO 0.81 0.27 1.32 -0.81 0.00 0.00 0.00 175.10 176.70 2jxt n PRO 50 N 4.10 2.13 0.19 2.72 -0.04 -1.26 -3.56 135.00 139.28 2jxt n PRO 50 Ca -0.06 0.75 0.17 0.00 -0.04 0.00 0.00 63.50 64.32 2jxt n PRO 50 Cb 0.51 -2.35 0.81 0.00 -0.04 0.00 0.00 33.50 32.44 2jxt n PRO 50 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2jxt h ARG 51 N 2.92 0.00 -0.00 0.54 -0.00 -1.97 0.65 114.38 116.52 2jxt h ARG 51 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.52 2jxt h ARG 51 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 2jxt h ARG 51 CO 0.65 0.00 -0.13 0.45 -0.00 0.00 0.00 179.97 180.95 2jxt n SER 52 N -3.81 0.14 -0.90 0.08 2.88 -1.26 -3.19 113.62 107.57 2jxt n SER 52 Ca 0.02 0.24 0.12 0.00 -1.33 0.00 0.00 58.87 57.93 2jxt n SER 52 Cb 0.36 -0.29 0.22 0.00 -0.75 0.00 0.00 64.21 63.75 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 -1.47 2.22 -3.40 -1.46 4.76 0.22 -4.72 118.16 114.31 2jxt n LYS 53 Ca 0.07 -1.79 -0.44 0.00 -2.87 0.00 0.00 58.31 53.28 2jxt n LYS 53 Cb 0.33 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 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 -1.87 4.89 -0.61 -0.18 1.01 -1.19 -1.33 120.40 121.13 2jxt s VAL 54 Ca 0.32 -1.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 2jxt s VAL 54 Cb 0.21 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.54 2jxt s VAL 54 CO 0.31 -0.86 0.73 -0.75 0.00 0.00 0.00 175.10 174.53 2jxt s LYS 55 N 1.32 3.06 -0.32 2.72 2.47 0.21 -4.98 119.74 124.23 2jxt s LYS 55 Ca 0.06 -1.31 -0.27 0.00 -1.56 0.00 0.00 55.97 52.89 2jxt s LYS 55 Cb -0.26 -4.28 0.01 0.00 -1.46 0.00 0.00 37.83 31.84 2jxt s LYS 55 CO 0.00 -1.57 0.97 0.42 0.16 0.00 0.00 175.35 175.33 2jxt s ILE 56 N 2.76 4.62 -0.04 5.43 1.01 -1.26 -0.32 121.20 133.39 2jxt s ILE 56 Ca 0.13 1.52 -0.07 0.00 0.00 0.00 0.00 60.65 62.23 2jxt s ILE 56 Cb -0.23 -4.32 -0.29 0.00 0.01 0.00 0.00 42.46 37.63 2jxt s ILE 56 CO 0.06 -0.40 0.70 -0.33 0.00 0.00 0.00 174.94 174.98 2jxt h GLU 57 N 8.11 0.31 -2.36 2.79 5.08 -1.34 -3.48 114.58 123.69 2jxt h GLU 57 Ca -0.22 -0.54 -0.06 0.00 -1.00 0.00 0.00 59.36 57.54 2jxt h GLU 57 Cb 1.07 0.20 -0.18 0.00 0.50 0.00 0.00 28.75 30.34 2jxt h GLU 57 CO 0.98 1.20 0.10 -2.00 -1.00 0.00 0.00 179.01 178.29 2jxt s GLU 58 N -2.59 1.02 -0.09 2.33 2.12 0.24 -5.02 118.70 116.71 2jxt s GLU 58 Ca -0.14 0.05 -0.01 0.00 0.36 0.00 0.00 54.97 55.24 2jxt s GLU 58 Cb 0.06 0.47 0.03 0.00 0.26 0.00 0.00 34.13 34.95 2jxt s GLU 58 CO 0.84 -0.33 -0.03 0.42 -0.54 0.00 0.00 175.26 175.62 2jxt s ILE 59 N -1.63 0.64 0.60 -3.70 1.01 -1.26 0.00 121.20 116.86 2jxt s ILE 59 Ca -0.09 -0.05 0.04 0.00 0.00 0.00 0.00 60.65 60.55 2jxt s ILE 59 Cb -0.01 -0.73 0.08 0.00 0.01 0.00 0.00 42.46 41.80 2jxt s ILE 59 CO 0.05 0.30 0.82 -1.61 0.00 0.00 0.00 174.94 174.51 2jxt s GLU 60 N 1.82 2.23 -0.05 2.79 2.02 0.05 -4.93 118.70 122.63 2jxt s GLU 60 Ca 0.04 -1.18 -0.02 0.00 0.02 0.00 0.00 54.97 53.83 2jxt s GLU 60 Cb -0.12 -2.51 0.04 0.00 0.10 0.00 0.00 34.13 31.63 2jxt s GLU 60 CO -0.06 -0.94 0.10 -2.00 0.02 0.00 0.00 175.26 172.38 2jxt s GLU 61 N -4.81 -0.02 0.10 1.61 -6.30 -1.26 -1.28 118.70 106.75 2jxt s GLU 61 Ca 0.61 0.41 0.01 0.00 -2.50 0.00 0.00 54.97 53.50 2jxt s GLU 61 Cb -0.07 -0.36 -0.04 0.00 0.00 0.00 0.00 34.13 33.65 2jxt s GLU 61 CO 0.40 -0.28 -0.03 0.96 0.02 0.00 0.00 175.26 176.33 2jxt s ILE 62 N 1.93 0.51 0.53 -3.70 -4.36 0.42 -4.93 121.20 111.60 2jxt s ILE 62 Ca 0.01 -1.91 -0.07 0.00 -0.26 0.00 0.00 60.65 58.42 2jxt s ILE 62 Cb -0.12 -1.77 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 2jxt s ILE 62 CO -0.04 -0.78 0.86 -0.44 0.24 0.00 0.00 174.94 174.78 2jxt s SER 63 N -3.04 6.13 0.31 4.36 0.01 -1.26 -3.01 113.70 117.19 2jxt s SER 63 Ca 0.14 0.99 0.07 0.00 1.31 0.00 0.00 55.95 58.47 2jxt s SER 63 Cb 0.06 -2.20 0.81 0.00 0.21 0.00 0.00 66.02 64.91 2jxt s SER 63 CO -0.04 -0.73 1.72 -0.65 0.41 0.00 0.00 173.24 173.95 2jxt h PRO 64 N 0.04 0.50 0.00 12.44 0.11 -1.94 0.14 132.00 143.29 2jxt h PRO 64 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2jxt h PRO 64 Cb 1.21 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2jxt h PRO 64 CO 0.62 0.33 -0.07 1.05 -0.21 0.00 0.00 178.00 179.72 2jxt h GLU 65 N 0.52 0.00 0.00 1.05 4.11 -1.94 -2.81 114.58 115.51 2jxt h GLU 65 Ca 0.61 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.04 2jxt h GLU 65 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jxt h GLU 65 CO -0.49 0.07 -0.23 0.93 0.07 0.00 0.00 179.01 179.36 2jxt h GLU 66 N 0.00 0.00 -6.71 1.06 5.08 -1.09 -3.46 114.58 109.46 2jxt h GLU 66 Ca -0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2jxt h GLU 66 Cb 0.58 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.87 2jxt h GLU 66 CO 0.01 0.00 0.69 0.08 -1.00 0.00 0.00 179.01 178.79 2jxt s VAL 67 N -3.16 2.99 -0.01 3.13 1.01 -1.06 -4.94 120.40 118.35 2jxt s VAL 67 Ca 0.08 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.89 2jxt s VAL 67 Cb 0.11 -3.52 -0.26 0.00 0.00 0.00 0.00 36.38 32.71 2jxt s VAL 67 CO 0.66 0.13 0.78 1.56 0.00 0.00 0.00 175.10 178.23 2jxt h GLN 68 N 5.20 0.17 -6.22 2.72 1.08 -1.90 -3.45 115.11 112.71 2jxt h GLN 68 Ca -0.45 -0.29 -0.56 0.00 -1.45 0.00 0.00 58.65 55.90 2jxt h GLN 68 Cb 1.22 0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.72 2jxt h GLN 68 CO 0.77 0.96 1.01 0.34 -0.95 0.00 0.00 178.83 180.96 2jxt s ASP 69 N -6.74 6.75 0.39 1.46 -1.08 -1.26 -4.93 116.67 111.26 2jxt s ASP 69 Ca -0.09 1.86 0.17 0.00 -0.52 0.00 0.00 52.55 53.97 2jxt s ASP 69 Cb 0.07 -2.54 0.81 0.00 -1.46 0.00 0.00 42.92 39.81 2jxt s ASP 69 CO 0.83 -0.90 1.83 1.55 0.52 0.00 0.00 175.17 179.00 2jxt h PRO 70 N 9.09 0.00 0.36 4.34 0.13 -1.99 -2.08 132.00 141.85 2jxt h PRO 70 Ca -0.32 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 2jxt h PRO 70 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2jxt h PRO 70 CO 0.97 0.34 -0.17 0.28 -0.23 0.00 0.00 178.00 179.19 2jxt h VAL 71 N 0.00 0.46 -0.82 1.56 2.07 -1.99 -2.23 116.25 115.30 2jxt h VAL 71 Ca -0.00 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2jxt h VAL 71 Cb 0.70 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2jxt h VAL 71 CO 0.04 0.10 0.43 0.58 0.02 0.00 0.00 177.57 178.74 2jxt h VAL 72 N -0.95 1.25 -0.89 2.57 2.07 -1.88 0.16 116.25 118.56 2jxt h VAL 72 Ca -0.05 -0.64 0.13 0.00 0.82 0.00 0.00 66.70 66.96 2jxt h VAL 72 Cb 0.53 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 2jxt h VAL 72 CO 0.08 0.28 0.51 0.50 0.02 0.00 0.00 177.57 178.97 2jxt h LYS 73 N 1.16 0.76 0.00 1.57 3.64 -1.39 -1.62 116.57 120.69 2jxt h LYS 73 Ca 0.29 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.43 2jxt h LYS 73 Cb 0.06 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2jxt h LYS 73 CO -0.04 0.50 -1.10 0.00 -2.27 0.00 0.00 179.45 176.54 2jxt h ALA 74 N 1.53 0.57 -0.16 5.00 0.00 -0.91 -3.26 119.26 122.03 2jxt h ALA 74 Ca 0.46 -0.90 0.04 0.00 0.00 0.00 0.00 54.91 54.51 2jxt h ALA 74 Cb 0.55 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2jxt h ALA 74 CO -0.30 1.10 0.11 1.25 0.00 0.00 0.00 179.25 181.41 2jxt h LEU 75 N 0.00 0.04 0.00 0.00 6.46 0.27 -2.05 115.31 120.04 2jxt h LEU 75 Ca -0.09 -0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 2jxt h LEU 75 Cb 1.69 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.60 2jxt h LEU 75 CO 0.09 0.03 -0.53 0.58 -0.62 0.00 0.00 178.44 177.99 2jxt h VAL 76 N 0.05 1.08 -0.90 1.05 2.07 -1.59 -3.38 116.25 114.64 2jxt h VAL 76 Ca 0.07 -2.00 0.23 0.00 0.82 0.00 0.00 66.70 65.82 2jxt h VAL 76 Cb 0.23 2.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 2jxt h VAL 76 CO -0.01 0.37 0.61 1.56 0.02 0.00 0.00 177.57 180.12 2jxt h GLN 77 N -1.00 0.24 -0.76 1.57 4.20 -1.55 -1.40 115.11 116.42 2jxt h GLN 77 Ca -0.13 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.59 2jxt h GLN 77 Cb 0.95 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.64 2jxt h GLN 77 CO -0.08 0.16 0.50 0.07 -0.67 0.00 0.00 178.83 178.81 2jxt h ARG 78 N 0.25 0.93 0.00 1.46 0.11 -1.55 -0.34 114.38 115.24 2jxt h ARG 78 Ca 0.46 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.48 2jxt h ARG 78 Cb 1.37 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2jxt h ARG 78 CO -0.12 0.62 -0.46 1.47 0.10 0.00 0.00 179.97 181.58 2jxt n LEU 79 N -4.44 0.50 0.08 0.08 -0.00 -0.55 -3.75 117.00 108.92 2jxt n LEU 79 Ca 0.09 0.15 -0.16 0.00 -0.00 0.00 0.00 56.01 56.09 2jxt n LEU 79 Cb 0.09 -0.27 -0.14 0.00 -0.00 0.00 0.00 43.42 43.10 2jxt n LEU 79 CO 0.35 0.05 -0.21 -0.33 -0.00 0.00 0.00 177.39 177.25 2jxt h GLU 80 N 0.00 0.26 -5.78 1.47 5.08 -1.02 -3.42 114.58 111.17 2jxt h GLU 80 Ca 0.00 -0.45 -0.61 0.00 -1.00 0.00 0.00 59.36 57.30 2jxt h GLU 80 Cb 0.58 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.87 2jxt h GLU 80 CO 0.00 1.16 0.58 -1.01 -1.00 0.00 0.00 179.01 178.74 2jxt s HIS 81 N -2.63 2.74 -0.89 4.33 3.76 -0.25 -4.90 115.29 117.45 2jxt s HIS 81 Ca -0.07 -0.15 0.17 0.00 -0.15 0.00 0.00 55.06 54.86 2jxt s HIS 81 Cb 0.07 -4.15 0.72 0.00 1.11 0.00 0.00 32.58 30.33 2jxt s HIS 81 CO 0.87 -1.46 1.63 0.72 -0.85 0.00 0.00 174.74 175.65 2jxt n HIS 82 N 7.60 1.53 -4.46 1.40 8.25 -1.26 -4.92 115.22 123.37 2jxt n HIS 82 Ca 0.00 -0.65 -0.24 0.00 -0.26 0.00 0.00 57.72 56.58 2jxt n HIS 82 Cb 0.47 -0.29 -0.08 0.00 1.12 0.00 0.00 29.99 31.20 2jxt n HIS 82 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jxt s HIS 83 N -2.06 1.76 0.83 4.41 -3.43 -1.26 -5.17 115.29 110.37 2jxt s HIS 83 Ca 0.50 -1.31 -0.10 0.00 -0.80 0.00 0.00 55.06 53.36 2jxt s HIS 83 Cb 0.34 -1.08 0.14 0.00 -1.43 0.00 0.00 32.58 30.55 2jxt s HIS 83 CO 0.22 -0.36 1.15 -1.01 -2.00 0.00 0.00 174.74 172.74 2jxt s HIS 84 N -3.31 2.03 -0.07 0.38 3.76 -1.26 -5.09 115.29 111.73 2jxt s HIS 84 Ca 0.28 0.24 -0.03 0.00 -0.15 0.00 0.00 55.06 55.40 2jxt s HIS 84 Cb 0.03 -3.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.12 2jxt s HIS 84 CO 0.16 -2.04 0.07 -1.01 -0.85 0.00 0.00 174.74 171.07 2jxt s HIS 85 N -3.52 3.35 -2.99 1.40 0.09 -1.26 -5.22 115.29 107.14 2jxt s HIS 85 Ca 0.68 0.31 0.24 0.00 -0.00 0.00 0.00 55.06 56.29 2jxt s HIS 85 Cb -0.06 -1.83 0.19 0.00 -0.00 0.00 0.00 32.58 30.88 2jxt s HIS 85 CO 0.48 0.59 1.26 -2.39 -0.00 0.00 0.00 174.74 174.68