#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 0.33 -0.94 2.12 -0.14 -1.26 -5.08 119.74 114.77 2jxt s LYS 2 Ca 0.00 0.07 -0.24 0.00 -1.36 0.00 0.00 55.97 54.43 2jxt s LYS 2 Cb 0.00 -1.18 0.04 0.00 -1.68 0.00 0.00 37.83 35.02 2jxt s LYS 2 CO 0.00 -0.43 1.41 1.41 -0.76 0.00 0.00 175.35 176.98 2jxt s MET 3 N 2.04 3.47 -0.30 1.68 -2.45 -1.26 -4.96 119.30 117.52 2jxt s MET 3 Ca 0.04 -0.86 -0.00 0.00 -1.25 0.00 0.00 55.69 53.61 2jxt s MET 3 Cb -0.14 -5.02 0.06 0.00 1.25 0.00 0.00 34.83 30.98 2jxt s MET 3 CO -0.06 -2.20 -0.02 0.21 1.05 0.00 0.00 175.02 174.00 2jxt s LYS 4 N 5.21 2.31 0.56 4.11 2.20 -1.26 -5.10 119.74 127.77 2jxt s LYS 4 Ca 0.43 -1.35 -0.20 0.00 -0.36 0.00 0.00 55.97 54.49 2jxt s LYS 4 Cb -0.02 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2jxt s LYS 4 CO -0.03 -0.64 1.26 -0.08 -0.36 0.00 0.00 175.35 175.50 2jxt s THR 5 N 1.18 2.48 0.11 3.43 -1.32 -1.26 -4.95 115.64 115.31 2jxt s THR 5 Ca -0.05 0.33 0.10 0.00 -1.21 0.00 0.00 61.69 60.86 2jxt s THR 5 Cb -0.20 -3.15 -0.04 0.00 -1.51 0.00 0.00 72.50 67.60 2jxt s THR 5 CO -0.03 -0.04 -0.25 -0.54 -2.21 0.00 0.00 174.62 171.56 2jxt s LYS 6 N -3.09 1.37 -0.18 7.08 1.02 -0.80 -4.89 119.74 120.26 2jxt s LYS 6 Ca 0.74 -1.25 -0.14 0.00 0.02 0.00 0.00 55.97 55.34 2jxt s LYS 6 Cb -0.34 -1.76 -0.05 0.00 -0.52 0.00 0.00 37.83 35.17 2jxt s LYS 6 CO 0.39 0.42 0.29 0.42 -0.92 0.00 0.00 175.35 175.95 2jxt s ILE 7 N -1.05 5.30 -0.13 2.17 1.09 -1.26 -0.57 121.20 126.75 2jxt s ILE 7 Ca 0.11 0.52 0.03 0.00 -1.10 0.00 0.00 60.65 60.21 2jxt s ILE 7 Cb -0.10 -3.63 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 2jxt s ILE 7 CO 0.05 0.36 -0.21 -0.36 -0.10 0.00 0.00 174.94 174.68 2jxt s PHE 8 N 0.68 2.65 -0.52 3.97 0.08 0.36 -1.59 117.98 123.62 2jxt s PHE 8 Ca 0.16 -1.15 -0.22 0.00 0.12 0.00 0.00 56.93 55.83 2jxt s PHE 8 Cb -0.13 -1.79 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2jxt s PHE 8 CO 0.04 -0.50 0.80 0.50 -0.10 0.00 0.00 175.22 175.97 2jxt s ARG 9 N 0.61 3.27 -0.01 0.44 3.52 0.85 -1.88 118.95 125.75 2jxt s ARG 9 Ca -0.12 -0.45 -0.17 0.00 -0.13 0.00 0.00 55.73 54.86 2jxt s ARG 9 Cb -0.16 -4.05 -0.06 0.00 -1.56 0.00 0.00 34.95 29.12 2jxt s ARG 9 CO 0.03 -1.32 0.48 0.08 -0.81 0.00 0.00 175.30 173.76 2jxt s VAL 10 N 3.37 4.98 -0.19 7.11 1.01 0.34 -0.93 120.40 136.09 2jxt s VAL 10 Ca 0.25 1.00 -0.02 0.00 0.00 0.00 0.00 61.98 63.21 2jxt s VAL 10 Cb -0.15 -3.80 0.06 0.00 0.00 0.00 0.00 36.38 32.49 2jxt s VAL 10 CO 0.17 0.50 0.02 -0.75 0.00 0.00 0.00 175.10 175.04 2jxt s LYS 11 N -0.58 0.80 0.00 2.72 2.47 -0.12 0.14 119.74 125.17 2jxt s LYS 11 Ca 0.26 -0.46 0.00 0.00 -1.56 0.00 0.00 55.97 54.22 2jxt s LYS 11 Cb -0.17 -2.09 0.00 0.00 -1.46 0.00 0.00 37.83 34.11 2jxt s LYS 11 CO 0.14 -0.60 0.00 0.41 0.16 0.00 0.00 175.35 175.46 2jxt n GLY 12 N 5.00 3.94 3.14 5.54 0.00 -0.68 -0.34 105.19 121.79 2jxt n GLY 12 Ca -0.09 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.90 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 1.57 0.99 0.02 1.61 1.02 0.03 -0.44 119.74 124.55 2jxt s LYS 13 Ca 0.00 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.32 2jxt s LYS 13 Cb 0.00 -1.00 -0.02 0.00 -0.52 0.00 0.00 37.83 36.30 2jxt s LYS 13 CO 0.00 0.25 -0.10 -0.59 -0.92 0.00 0.00 175.35 173.99 2jxt s PHE 14 N -0.73 0.88 -0.40 3.18 -0.71 -0.10 -0.11 117.98 119.98 2jxt s PHE 14 Ca 0.03 -0.30 -0.27 0.00 -1.04 0.00 0.00 56.93 55.34 2jxt s PHE 14 Cb -0.07 -0.53 0.02 0.00 -1.21 0.00 0.00 43.02 41.23 2jxt s PHE 14 CO 0.01 -0.01 1.02 -1.17 -1.34 0.00 0.00 175.22 173.72 2jxt s LEU 15 N -0.87 3.88 -0.29 -1.99 1.98 -0.68 -1.48 118.68 119.23 2jxt s LEU 15 Ca -0.01 0.57 0.02 0.00 -2.89 0.00 0.00 54.13 51.82 2jxt s LEU 15 Cb -0.06 -3.39 0.08 0.00 0.66 0.00 0.00 46.19 43.48 2jxt s LEU 15 CO 0.00 -1.01 0.01 -0.32 -1.89 0.00 0.00 176.35 173.15 2jxt s MET 16 N 3.84 1.48 -0.95 1.98 1.75 0.41 -4.87 119.30 122.93 2jxt s MET 16 Ca 0.42 -1.40 -0.05 0.00 -1.25 0.00 0.00 55.69 53.41 2jxt s MET 16 Cb -0.10 -2.76 -0.04 0.00 2.84 0.00 0.00 34.83 34.77 2jxt s MET 16 CO 0.23 -0.80 0.83 0.41 -0.65 0.00 0.00 175.02 175.04 2jxt n GLY 17 N 4.51 -1.18 4.31 2.11 0.00 -1.26 -2.69 105.19 110.98 2jxt n GLY 17 Ca -0.04 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2jxt n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jxt n ASP 18 N -2.71 0.00 -4.56 1.61 2.03 -1.26 -4.93 116.55 106.73 2jxt n ASP 18 Ca -0.06 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 54.92 2jxt n ASP 18 Cb 0.58 -0.60 -0.12 0.00 -0.72 0.00 0.00 41.12 40.26 2jxt n ASP 18 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2jxt s LYS 19 N 0.00 2.80 -0.13 -0.67 1.02 -1.10 -5.11 119.74 116.56 2jxt s LYS 19 Ca 0.00 -0.56 -0.21 0.00 0.02 0.00 0.00 55.97 55.21 2jxt s LYS 19 Cb 0.00 -2.59 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2jxt s LYS 19 CO 0.00 0.62 0.62 -0.51 -0.92 0.00 0.00 175.35 175.16 2jxt s LEU 20 N -0.69 4.24 -0.04 3.17 1.43 -1.26 -0.44 118.68 125.08 2jxt s LEU 20 Ca 0.10 0.97 0.06 0.00 -1.03 0.00 0.00 54.13 54.24 2jxt s LEU 20 Cb -0.11 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 2jxt s LEU 20 CO 0.02 -0.15 -0.23 -1.10 0.23 0.00 0.00 176.35 175.12 2jxt s GLN 21 N 1.19 2.40 0.45 1.70 1.11 -0.55 -4.92 119.66 121.05 2jxt s GLN 21 Ca 0.32 -0.86 -0.21 0.00 0.01 0.00 0.00 55.36 54.61 2jxt s GLN 21 Cb -0.16 -2.18 -0.09 0.00 -1.01 0.00 0.00 33.01 29.56 2jxt s GLN 21 CO 0.13 0.50 1.01 -1.25 0.01 0.00 0.00 175.29 175.69 2jxt s PRO 22 N -0.44 4.01 0.01 2.91 0.04 -1.26 -0.93 135.00 139.34 2jxt s PRO 22 Ca 0.05 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2jxt s PRO 22 Cb -0.12 -2.20 -0.01 0.00 0.04 0.00 0.00 34.50 32.21 2jxt s PRO 22 CO 0.01 -0.25 -0.02 -0.59 0.04 0.00 0.00 177.00 176.20 2jxt s PHE 23 N -1.99 0.17 -0.41 0.56 -0.12 0.42 -4.93 117.98 111.69 2jxt s PHE 23 Ca 0.64 -0.29 -0.03 0.00 -0.05 0.00 0.00 56.93 57.20 2jxt s PHE 23 Cb -0.15 -0.12 0.11 0.00 -0.63 0.00 0.00 43.02 42.23 2jxt s PHE 23 CO 0.19 -0.10 0.21 0.99 -0.05 0.00 0.00 175.22 176.46 2jxt s THR 24 N -0.79 3.30 -0.33 -4.49 2.01 -1.26 -1.69 115.64 112.38 2jxt s THR 24 Ca -0.08 -2.06 -0.04 0.00 0.31 0.00 0.00 61.69 59.82 2jxt s THR 24 Cb -0.05 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.25 2jxt s THR 24 CO -0.00 -0.69 0.08 -0.54 -0.69 0.00 0.00 174.62 172.77 2jxt s LYS 25 N 1.14 2.44 -0.01 4.92 -0.14 0.12 -4.95 119.74 123.26 2jxt s LYS 25 Ca 0.08 -1.33 -0.24 0.00 -1.36 0.00 0.00 55.97 53.12 2jxt s LYS 25 Cb -0.23 -3.36 -0.04 0.00 -1.68 0.00 0.00 37.83 32.52 2jxt s LYS 25 CO -0.04 -0.72 0.75 -1.21 -0.76 0.00 0.00 175.35 173.37 2jxt s GLU 26 N 1.29 4.46 0.02 1.68 2.02 -1.26 -0.50 118.70 126.41 2jxt s GLU 26 Ca -0.02 0.99 -0.12 0.00 0.02 0.00 0.00 54.97 55.84 2jxt s GLU 26 Cb -0.20 -3.41 0.01 0.00 0.10 0.00 0.00 34.13 30.63 2jxt s GLU 26 CO -0.00 0.16 0.26 -0.48 0.02 0.00 0.00 175.26 175.22 2jxt s LEU 27 N 0.42 1.06 -0.20 1.80 2.34 -0.79 -4.88 118.68 118.44 2jxt s LEU 27 Ca 0.39 -0.16 -0.12 0.00 0.06 0.00 0.00 54.13 54.31 2jxt s LEU 27 Cb -0.19 1.16 -0.05 0.00 -0.56 0.00 0.00 46.19 46.55 2jxt s LEU 27 CO 0.21 -0.53 0.20 0.54 -1.06 0.00 0.00 176.35 175.72 2jxt s ASN 28 N -1.79 6.25 0.03 1.48 4.22 -1.26 -0.49 114.94 123.39 2jxt s ASN 28 Ca -0.09 0.28 -0.00 0.00 -2.14 0.00 0.00 52.86 50.91 2jxt s ASN 28 Cb -0.03 -2.13 -0.03 0.00 1.28 0.00 0.00 41.25 40.35 2jxt s ASN 28 CO -0.01 0.10 -0.03 0.00 -2.04 0.00 0.00 177.10 175.12 2jxt s ALA 29 N 0.72 0.23 0.21 3.54 0.00 0.26 -4.89 121.76 121.84 2jxt s ALA 29 Ca 0.11 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2jxt s ALA 29 Cb -0.13 0.19 0.16 0.00 0.00 0.00 0.00 23.12 23.34 2jxt s ALA 29 CO 0.02 -0.22 1.49 0.82 0.00 0.00 0.00 175.76 177.88 2jxt h ILE 30 N 4.21 1.47 -3.00 0.00 5.03 -1.92 -2.12 117.51 121.17 2jxt h ILE 30 Ca -0.33 -2.36 -0.07 0.00 -0.12 0.00 0.00 64.86 61.99 2jxt h ILE 30 Cb 1.19 2.27 -0.16 0.00 -3.03 0.00 0.00 36.82 37.09 2jxt h ILE 30 CO 0.48 0.68 -0.07 0.00 -0.68 0.00 0.00 178.15 178.57 2jxt s ARG 31 N -3.44 0.97 0.52 2.37 1.70 -1.26 -4.87 118.95 114.94 2jxt s ARG 31 Ca -0.02 -0.37 0.20 0.00 -0.47 0.00 0.00 55.73 55.07 2jxt s ARG 31 Cb 0.11 0.43 1.32 0.00 -0.57 0.00 0.00 34.95 36.24 2jxt s ARG 31 CO 0.80 -0.34 2.07 0.93 -1.08 0.00 0.00 175.30 177.68 2jxt h GLU 32 N 2.88 0.02 -0.00 3.89 5.08 -2.00 0.46 114.58 124.92 2jxt h GLU 32 Ca -0.31 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2jxt h GLU 32 Cb 1.21 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 2jxt h GLU 32 CO 0.43 0.01 -0.03 0.93 -1.00 0.00 0.00 179.01 179.35 2jxt h GLU 33 N 0.02 0.00 -0.34 2.33 5.08 -2.01 -2.16 114.58 117.51 2jxt h GLU 33 Ca 0.13 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2jxt h GLU 33 Cb 0.50 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2jxt h GLU 33 CO -0.00 0.03 0.16 0.93 -1.00 0.00 0.00 179.01 179.13 2jxt h GLU 34 N 0.00 0.48 -0.81 2.33 4.39 -1.31 -3.30 114.58 116.36 2jxt h GLU 34 Ca 0.00 -0.07 0.18 0.00 0.34 0.00 0.00 59.36 59.81 2jxt h GLU 34 Cb 0.06 -0.09 -0.15 0.00 -0.10 0.00 0.00 28.75 28.48 2jxt h GLU 34 CO 0.00 0.44 -0.05 0.82 -1.16 0.00 0.00 179.01 179.07 2jxt h ILE 35 N 0.41 0.25 0.32 3.13 2.04 -1.41 -0.73 117.51 121.52 2jxt h ILE 35 Ca 0.12 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 2jxt h ILE 35 Cb 0.12 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 2jxt h ILE 35 CO -0.01 0.01 -0.52 1.88 0.00 0.00 0.00 178.15 179.50 2jxt h TYR 36 N 0.06 -1.48 -0.71 1.37 -1.99 -1.67 -0.33 116.97 112.22 2jxt h TYR 36 Ca 0.43 0.03 -0.07 0.00 2.00 0.00 0.00 58.73 61.12 2jxt h TYR 36 Cb 0.76 0.60 -0.03 0.00 2.00 0.00 0.00 36.73 40.07 2jxt h TYR 36 CO -0.49 -0.64 0.17 0.93 -0.00 0.00 0.00 178.16 178.12 2jxt h GLU 37 N -0.89 1.14 -0.63 4.88 5.08 -1.53 -1.73 114.58 120.89 2jxt h GLU 37 Ca -0.04 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2jxt h GLU 37 Cb 0.82 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2jxt h GLU 37 CO -0.17 1.00 0.41 0.00 -1.00 0.00 0.00 179.01 179.25 2jxt h ARG 38 N 1.08 0.82 -0.52 2.33 2.47 -0.96 -2.20 114.38 117.39 2jxt h ARG 38 Ca 0.22 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.80 2jxt h ARG 38 Cb 0.38 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 2jxt h ARG 38 CO 0.00 0.54 -0.05 -0.07 0.56 0.00 0.00 179.97 180.96 2jxt h LEU 39 N 0.85 0.94 -0.81 3.04 3.38 -0.88 -2.67 115.31 119.16 2jxt h LEU 39 Ca 0.23 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 57.99 2jxt h LEU 39 Cb -0.09 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.32 2jxt h LEU 39 CO -0.05 1.04 0.43 1.88 0.09 0.00 0.00 178.44 181.83 2jxt h TYR 40 N 0.81 0.76 -0.48 1.13 0.05 -0.92 0.21 116.97 118.54 2jxt h TYR 40 Ca 0.14 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.94 2jxt h TYR 40 Cb 0.59 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 2jxt h TYR 40 CO 0.04 0.25 0.23 1.03 -1.05 0.00 0.00 178.16 178.67 2jxt h SER 41 N 0.67 0.62 0.41 3.88 0.87 -1.30 0.32 113.55 119.04 2jxt h SER 41 Ca 0.41 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 2jxt h SER 41 Cb 0.48 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2jxt h SER 41 CO -0.30 0.57 -0.40 -0.08 -0.53 0.00 0.00 176.83 176.09 2jxt h GLU 42 N 0.63 -0.80 -0.10 2.24 4.57 -0.81 0.22 114.58 120.53 2jxt h GLU 42 Ca 0.16 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 2jxt h GLU 42 Cb 0.11 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2jxt h GLU 42 CO -0.02 -0.53 -0.06 0.74 -1.18 0.00 0.00 179.01 177.96 2jxt h PHE 43 N -0.83 0.14 -0.10 0.92 0.04 -1.01 -0.45 116.94 115.65 2jxt h PHE 43 Ca -0.04 -0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.63 2jxt h PHE 43 Cb 0.74 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 2jxt h PHE 43 CO -0.21 0.20 -0.37 0.78 -0.60 0.00 0.00 178.31 178.11 2jxt h GLY 44 N 0.45 0.22 0.05 -1.45 0.00 -0.47 0.88 103.07 102.75 2jxt h GLY 44 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 2jxt h GLY 44 CO 0.01 0.18 -0.02 1.76 0.00 0.00 0.00 176.54 178.46 2jxt h SER 45 N 0.18 -0.06 -0.03 0.19 0.02 0.10 -2.56 113.55 111.39 2jxt h SER 45 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2jxt h SER 45 Cb 0.74 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2jxt h SER 45 CO 0.06 0.10 0.00 2.29 -1.14 0.00 0.00 176.83 178.13 2jxt n LYS 46 N -2.95 1.56 0.00 3.45 2.85 -0.60 -4.21 118.16 118.25 2jxt n LYS 46 Ca -0.01 -0.81 0.00 0.00 -1.05 0.00 0.00 58.31 56.44 2jxt n LYS 46 Cb 0.03 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 32.94 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 -0.01 0.00 -2.39 5.58 8.25 -0.78 -5.03 115.22 120.84 2jxt n HIS 47 Ca 0.19 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.46 2jxt n HIS 47 Cb 0.31 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.41 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 0.00 -1.80 -3.02 -0.41 1.74 0.30 -4.91 116.66 108.55 2jxt n ARG 48 Ca 0.00 0.92 -0.40 0.00 -0.77 0.00 0.00 57.85 57.60 2jxt n ARG 48 Cb 0.00 -5.57 -0.05 0.00 -1.02 0.00 0.00 32.46 25.83 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 -2.93 5.00 0.50 1.55 1.01 -0.62 -4.87 120.40 120.03 2jxt s VAL 49 Ca 0.00 1.50 -0.23 0.00 0.00 0.00 0.00 61.98 63.24 2jxt s VAL 49 Cb 0.00 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.25 2jxt s VAL 49 CO 0.00 0.26 1.36 -2.16 0.00 0.00 0.00 175.10 174.56 2jxt s PRO 50 N 0.71 3.42 0.52 2.72 0.04 -1.26 -4.00 135.00 137.14 2jxt s PRO 50 Ca 0.38 2.24 0.20 0.00 0.04 0.00 0.00 61.00 63.87 2jxt s PRO 50 Cb -0.18 -2.43 1.35 0.00 0.04 0.00 0.00 34.50 33.28 2jxt s PRO 50 CO 0.19 -0.97 2.12 0.07 0.04 0.00 0.00 177.00 178.46 2jxt h ARG 51 N 1.86 0.00 0.00 4.56 0.11 -1.96 0.28 114.38 119.24 2jxt h ARG 51 Ca -0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.57 2jxt h ARG 51 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 2jxt h ARG 51 CO 0.59 0.07 0.00 1.03 0.10 0.00 0.00 179.97 181.76 2jxt h SER 52 N 0.00 0.00 -0.18 0.08 0.87 -2.02 -2.48 113.55 109.82 2jxt h SER 52 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2jxt h SER 52 Cb 0.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2jxt h SER 52 CO 0.01 0.00 0.00 0.29 -0.53 0.00 0.00 176.83 176.60 2jxt n LYS 53 N -2.68 2.35 -3.36 2.24 4.76 0.08 -4.82 118.16 116.73 2jxt n LYS 53 Ca 0.01 -2.00 -0.44 0.00 -2.87 0.00 0.00 58.31 53.01 2jxt n LYS 53 Cb 0.23 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 31.86 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 -1.79 5.16 -0.49 -0.18 1.01 -0.94 -1.68 120.40 121.50 2jxt s VAL 54 Ca 0.33 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 2jxt s VAL 54 Cb 0.21 -4.09 0.09 0.00 0.00 0.00 0.00 36.38 32.59 2jxt s VAL 54 CO 0.31 -0.52 0.41 -0.75 0.00 0.00 0.00 175.10 174.55 2jxt s LYS 55 N 1.88 2.93 -0.23 2.72 2.47 0.85 -5.02 119.74 125.33 2jxt s LYS 55 Ca 0.07 -1.47 -0.28 0.00 -1.56 0.00 0.00 55.97 52.73 2jxt s LYS 55 Cb -0.21 -4.14 0.01 0.00 -1.46 0.00 0.00 37.83 32.03 2jxt s LYS 55 CO 0.09 -1.11 1.00 0.42 0.16 0.00 0.00 175.35 175.91 2jxt s ILE 56 N 1.60 4.71 -0.18 5.43 1.01 -1.26 -0.79 121.20 131.73 2jxt s ILE 56 Ca 0.04 1.94 -0.08 0.00 0.00 0.00 0.00 60.65 62.55 2jxt s ILE 56 Cb -0.26 -4.27 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 2jxt s ILE 56 CO 0.05 -0.16 -0.22 -0.62 0.00 0.00 0.00 174.94 174.00 2jxt n GLU 57 N 6.24 0.38 -4.90 2.79 -0.58 -1.21 -4.98 120.64 118.36 2jxt n GLU 57 Ca 0.11 0.16 -0.27 0.00 -0.42 0.00 0.00 57.16 56.73 2jxt n GLU 57 Cb 0.46 -1.15 -0.15 0.00 -0.57 0.00 0.00 31.44 30.03 2jxt n GLU 57 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2jxt s GLU 58 N -2.32 1.64 -0.32 3.49 2.56 0.53 -4.98 118.70 119.30 2jxt s GLU 58 Ca -0.24 -0.88 -0.02 0.00 0.00 0.00 0.00 54.97 53.83 2jxt s GLU 58 Cb 0.09 -1.67 0.12 0.00 2.00 0.00 0.00 34.13 34.66 2jxt s GLU 58 CO 0.32 0.44 0.16 0.42 -0.56 0.00 0.00 175.26 176.04 2jxt s ILE 59 N -0.65 0.18 -0.36 -3.70 1.01 -1.26 -0.95 121.20 115.48 2jxt s ILE 59 Ca 0.09 -1.26 -0.13 0.00 0.00 0.00 0.00 60.65 59.34 2jxt s ILE 59 Cb -0.09 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.22 2jxt s ILE 59 CO 0.00 -0.83 0.26 -1.61 0.00 0.00 0.00 174.94 172.77 2jxt s GLU 60 N 1.59 3.37 0.15 2.79 2.02 -0.11 -4.88 118.70 123.63 2jxt s GLU 60 Ca 0.13 -0.73 -0.31 0.00 0.02 0.00 0.00 54.97 54.08 2jxt s GLU 60 Cb -0.19 -3.85 -0.08 0.00 0.10 0.00 0.00 34.13 30.11 2jxt s GLU 60 CO -0.20 -0.52 1.33 -2.00 0.02 0.00 0.00 175.26 173.89 2jxt s GLU 61 N 1.72 4.36 0.40 1.61 2.12 -1.26 -0.10 118.70 127.54 2jxt s GLU 61 Ca 0.06 2.04 0.04 0.00 0.36 0.00 0.00 54.97 57.46 2jxt s GLU 61 Cb -0.18 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.95 2jxt s GLU 61 CO 0.10 -0.33 0.12 0.96 -0.54 0.00 0.00 175.26 175.57 2jxt s ILE 62 N 0.62 0.68 0.26 -3.70 -4.36 -0.62 -4.94 121.20 109.15 2jxt s ILE 62 Ca 0.60 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.86 2jxt s ILE 62 Cb -0.36 -2.41 -0.08 0.00 1.25 0.00 0.00 42.46 40.86 2jxt s ILE 62 CO 0.34 0.00 0.66 -0.44 0.24 0.00 0.00 174.94 175.73 2jxt s SER 63 N -3.59 6.76 0.59 4.36 0.01 -1.26 -4.33 113.70 116.24 2jxt s SER 63 Ca 0.25 1.16 0.29 0.00 1.31 0.00 0.00 55.95 58.96 2jxt s SER 63 Cb 0.03 -2.32 1.50 0.00 0.21 0.00 0.00 66.02 65.44 2jxt s SER 63 CO 0.14 -0.11 1.92 -0.65 0.41 0.00 0.00 173.24 174.95 2jxt h PRO 64 N 2.60 0.00 0.00 12.44 0.11 -1.95 0.64 132.00 145.84 2jxt h PRO 64 Ca -0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.47 2jxt h PRO 64 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2jxt h PRO 64 CO 0.67 0.00 -0.89 1.05 -0.21 0.00 0.00 178.00 178.62 2jxt h GLU 65 N 0.00 0.00 0.00 1.05 4.11 -2.00 -3.32 114.58 114.42 2jxt h GLU 65 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 2jxt h GLU 65 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2jxt h GLU 65 CO -0.00 0.62 0.00 0.39 0.07 0.00 0.00 179.01 180.08 2jxt n GLU 66 N -3.19 0.11 -1.68 1.06 1.02 0.21 -4.87 120.64 113.30 2jxt n GLU 66 Ca -0.02 0.17 -0.46 0.00 -0.02 0.00 0.00 57.16 56.84 2jxt n GLU 66 Cb 0.84 -1.65 -0.04 0.00 -0.02 0.00 0.00 31.44 30.57 2jxt n GLU 66 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2jxt n VAL 67 N -1.84 0.16 -0.03 2.62 0.31 -1.22 -4.91 118.33 113.43 2jxt n VAL 67 Ca 0.05 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.24 2jxt n VAL 67 Cb 0.32 -1.70 -0.14 0.00 -0.91 0.00 0.00 33.84 31.41 2jxt n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jxt n GLN 68 N 4.35 0.66 -2.41 5.55 1.13 -1.26 -4.87 117.38 120.53 2jxt n GLN 68 Ca 0.18 0.26 -0.43 0.00 -1.94 0.00 0.00 57.00 55.07 2jxt n GLN 68 Cb 0.30 -1.74 -0.02 0.00 0.11 0.00 0.00 30.24 28.88 2jxt n GLN 68 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2jxt s ASP 69 N -6.21 6.96 0.40 1.08 -1.08 -1.26 -4.93 116.67 111.63 2jxt s ASP 69 Ca -0.09 1.75 0.19 0.00 -0.52 0.00 0.00 52.55 53.88 2jxt s ASP 69 Cb 0.08 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.84 2jxt s ASP 69 CO 0.81 -0.72 1.82 1.55 0.52 0.00 0.00 175.17 179.15 2jxt h PRO 70 N 8.06 0.00 0.01 4.34 0.13 -1.98 -1.26 132.00 141.29 2jxt h PRO 70 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2jxt h PRO 70 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2jxt h PRO 70 CO 0.95 0.32 -0.00 0.28 -0.23 0.00 0.00 178.00 179.32 2jxt h VAL 71 N 0.00 1.60 -0.46 1.56 2.07 -1.99 -2.18 116.25 116.84 2jxt h VAL 71 Ca -0.00 -1.87 -0.04 0.00 0.82 0.00 0.00 66.70 65.61 2jxt h VAL 71 Cb 0.72 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 2jxt h VAL 71 CO 0.04 0.48 0.14 0.58 0.02 0.00 0.00 177.57 178.83 2jxt h VAL 72 N -0.82 1.23 -0.53 2.57 2.07 -1.89 -1.56 116.25 117.32 2jxt h VAL 72 Ca -0.00 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.77 2jxt h VAL 72 Cb 0.79 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2jxt h VAL 72 CO 0.00 0.28 0.32 0.50 0.02 0.00 0.00 177.57 178.69 2jxt h LYS 73 N 0.61 0.62 -0.24 1.57 3.64 -1.32 -1.62 116.57 119.84 2jxt h LYS 73 Ca 0.15 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 2jxt h LYS 73 Cb 0.28 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 2jxt h LYS 73 CO -0.00 0.41 -0.14 0.00 -2.27 0.00 0.00 179.45 177.45 2jxt h ALA 74 N 1.23 1.32 -0.29 5.00 0.00 -1.31 0.65 119.26 125.87 2jxt h ALA 74 Ca 0.21 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2jxt h ALA 74 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2jxt h ALA 74 CO -0.09 0.46 -0.02 1.25 0.00 0.00 0.00 179.25 180.85 2jxt h LEU 75 N 0.38 0.41 0.00 0.00 6.46 -0.38 -2.70 115.31 119.48 2jxt h LEU 75 Ca 0.07 -0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 2jxt h LEU 75 Cb 0.47 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 2jxt h LEU 75 CO 0.03 0.49 -0.31 0.58 -0.62 0.00 0.00 178.44 178.62 2jxt h VAL 76 N 0.43 1.23 0.00 1.05 2.07 -0.92 -3.36 116.25 116.74 2jxt h VAL 76 Ca 0.09 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.58 2jxt h VAL 76 Cb 0.31 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2jxt h VAL 76 CO 0.01 0.42 0.08 1.56 0.02 0.00 0.00 177.57 179.66 2jxt h GLN 77 N -1.00 0.00 -0.42 1.57 4.20 -0.88 -1.42 115.11 117.16 2jxt h GLN 77 Ca -0.08 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.68 2jxt h GLN 77 Cb 0.89 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.64 2jxt h GLN 77 CO -0.05 0.00 0.28 0.07 -0.67 0.00 0.00 178.83 178.46 2jxt h ARG 78 N 0.00 0.37 -0.01 1.46 0.11 -1.63 -2.82 114.38 111.86 2jxt h ARG 78 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2jxt h ARG 78 Cb 0.17 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.17 2jxt h ARG 78 CO 0.00 0.24 -0.13 1.47 0.10 0.00 0.00 179.97 181.65 2jxt n LEU 79 N -4.48 1.32 -4.72 0.08 -0.00 -0.55 -4.89 117.00 103.77 2jxt n LEU 79 Ca 0.05 -0.83 -0.31 0.00 -0.00 0.00 0.00 56.01 54.92 2jxt n LEU 79 Cb 0.21 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 43.76 2jxt n LEU 79 CO 0.35 0.27 0.68 -1.61 -0.00 0.00 0.00 177.39 177.07 2jxt s GLU 80 N -1.12 1.52 -0.27 1.47 0.41 -1.07 -4.88 118.70 114.77 2jxt s GLU 80 Ca 0.08 1.14 -0.38 0.00 -0.41 0.00 0.00 54.97 55.41 2jxt s GLU 80 Cb 0.07 -1.81 -0.14 0.00 -1.78 0.00 0.00 34.13 30.47 2jxt s GLU 80 CO 0.19 -2.15 1.91 -2.39 -0.49 0.00 0.00 175.26 172.33 2jxt n HIS 81 N -3.86 1.96 -2.78 1.61 1.44 -1.26 -1.93 115.22 110.40 2jxt n HIS 81 Ca 0.09 0.36 -0.19 0.00 -2.01 0.00 0.00 57.72 55.98 2jxt n HIS 81 Cb 0.53 -2.52 0.02 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 -2.81 0.00 0.00 176.34 175.11 2jxt n HIS 82 N 6.95 -1.48 -1.66 -1.40 -0.00 -1.26 -4.94 115.22 111.42 2jxt n HIS 82 Ca 0.31 0.35 -0.46 0.00 -0.00 0.00 0.00 57.72 57.92 2jxt n HIS 82 Cb 0.18 -3.87 -0.04 0.00 -0.00 0.00 0.00 29.99 26.27 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 -4.26 2.16 -3.86 1.57 1.44 -0.81 -5.00 115.22 106.46 2jxt n HIS 83 Ca -0.12 0.38 -0.15 0.00 -2.01 0.00 0.00 57.72 55.81 2jxt n HIS 83 Cb 0.61 -2.49 -0.16 0.00 0.12 0.00 0.00 29.99 28.08 2jxt n HIS 83 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jxt s HIS 84 N 0.42 0.15 0.41 -1.40 5.65 -1.26 -5.07 115.29 114.18 2jxt s HIS 84 Ca 0.74 0.05 -0.05 0.00 0.25 0.00 0.00 55.06 56.06 2jxt s HIS 84 Cb -0.69 -0.27 -0.04 0.00 -1.18 0.00 0.00 32.58 30.40 2jxt s HIS 84 CO 0.44 -0.09 0.69 -1.01 -0.65 0.00 0.00 174.74 174.12 2jxt s HIS 85 N 0.83 3.52 -2.47 3.88 3.76 -1.26 -5.16 115.29 118.40 2jxt s HIS 85 Ca -0.08 0.71 0.20 0.00 -0.15 0.00 0.00 55.06 55.74 2jxt s HIS 85 Cb -0.11 -2.20 0.16 0.00 1.11 0.00 0.00 32.58 31.54 2jxt s HIS 85 CO -0.02 -0.08 1.13 0.72 -0.85 0.00 0.00 174.74 175.63