#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 3.42 0.08 0.03 2.47 -1.26 -5.04 119.74 119.45 2jxt s LYS 2 Ca 0.00 -0.07 0.10 0.00 -1.56 0.00 0.00 55.97 54.44 2jxt s LYS 2 Cb 0.00 -3.97 -0.03 0.00 -1.46 0.00 0.00 37.83 32.36 2jxt s LYS 2 CO 0.00 -1.28 -0.26 1.41 0.16 0.00 0.00 175.35 175.38 2jxt s MET 3 N 3.68 1.58 0.47 4.03 -2.45 -1.26 -5.14 119.30 120.21 2jxt s MET 3 Ca 0.33 -1.18 -0.14 0.00 -1.25 0.00 0.00 55.69 53.45 2jxt s MET 3 Cb -0.12 -1.87 -0.07 0.00 1.25 0.00 0.00 34.83 34.03 2jxt s MET 3 CO 0.23 0.47 0.89 0.15 1.05 0.00 0.00 175.02 177.81 2jxt s LYS 4 N -1.55 3.87 -0.21 4.11 3.01 -1.26 -5.01 119.74 122.71 2jxt s LYS 4 Ca 0.12 0.75 -0.29 0.00 -1.01 0.00 0.00 55.97 55.53 2jxt s LYS 4 Cb -0.10 -2.24 -0.01 0.00 -1.01 0.00 0.00 37.83 34.47 2jxt s LYS 4 CO 0.03 -0.17 1.29 -0.08 0.51 0.00 0.00 175.35 176.93 2jxt s THR 5 N -2.52 4.21 0.16 2.17 -1.32 -1.26 -4.90 115.64 112.18 2jxt s THR 5 Ca 0.56 1.44 -0.16 0.00 -1.21 0.00 0.00 61.69 62.31 2jxt s THR 5 Cb -0.10 -4.03 -0.07 0.00 -1.51 0.00 0.00 72.50 66.79 2jxt s THR 5 CO 0.32 -0.24 0.60 -0.54 -2.21 0.00 0.00 174.62 172.54 2jxt s LYS 6 N 3.74 4.06 -0.18 7.08 1.02 0.11 -4.69 119.74 130.89 2jxt s LYS 6 Ca 0.56 0.60 -0.14 0.00 0.02 0.00 0.00 55.97 57.01 2jxt s LYS 6 Cb -0.20 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 2jxt s LYS 6 CO 0.18 0.46 0.31 0.42 -0.92 0.00 0.00 175.35 175.80 2jxt s ILE 7 N -1.47 5.29 -0.18 2.17 1.09 -1.24 -0.41 121.20 126.46 2jxt s ILE 7 Ca 0.39 0.56 -0.02 0.00 -1.10 0.00 0.00 60.65 60.48 2jxt s ILE 7 Cb -0.16 -3.65 -0.01 0.00 -1.06 0.00 0.00 42.46 37.59 2jxt s ILE 7 CO 0.20 0.35 -0.09 -0.36 -0.10 0.00 0.00 174.94 174.94 2jxt s PHE 8 N 0.72 2.90 -0.90 3.97 0.40 0.48 -0.52 117.98 125.02 2jxt s PHE 8 Ca 0.16 -0.84 -0.22 0.00 -0.60 0.00 0.00 56.93 55.43 2jxt s PHE 8 Cb -0.13 -1.98 0.08 0.00 0.51 0.00 0.00 43.02 41.49 2jxt s PHE 8 CO 0.05 -0.41 1.24 0.50 0.70 0.00 0.00 175.22 177.30 2jxt s ARG 9 N 0.97 3.48 0.22 0.44 3.52 0.23 -2.13 118.95 125.69 2jxt s ARG 9 Ca -0.01 -1.22 -0.20 0.00 -0.13 0.00 0.00 55.73 54.17 2jxt s ARG 9 Cb -0.15 -4.90 -0.08 0.00 -1.56 0.00 0.00 34.95 28.26 2jxt s ARG 9 CO -0.00 -1.98 0.73 0.08 -0.81 0.00 0.00 175.30 173.31 2jxt s VAL 10 N 4.07 4.57 -0.04 7.11 1.01 0.80 -1.14 120.40 136.77 2jxt s VAL 10 Ca 0.36 1.28 0.01 0.00 0.00 0.00 0.00 61.98 63.64 2jxt s VAL 10 Cb -0.05 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2jxt s VAL 10 CO -0.04 0.20 -0.05 -0.75 0.00 0.00 0.00 175.10 174.46 2jxt s LYS 11 N -1.98 0.91 0.00 2.72 2.47 0.40 -0.93 119.74 123.32 2jxt s LYS 11 Ca 0.43 -0.14 0.00 0.00 -1.56 0.00 0.00 55.97 54.70 2jxt s LYS 11 Cb -0.17 -0.88 0.00 0.00 -1.46 0.00 0.00 37.83 35.32 2jxt s LYS 11 CO 0.21 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 176.07 2jxt n GLY 12 N 3.99 1.14 2.98 5.54 0.00 -1.05 -0.45 105.19 117.35 2jxt n GLY 12 Ca -0.25 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 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 1.48 0.43 0.00 1.61 1.02 0.03 -0.55 119.74 123.76 2jxt s LYS 13 Ca 0.00 -0.35 0.08 0.00 0.02 0.00 0.00 55.97 55.73 2jxt s LYS 13 Cb 0.00 -0.34 -0.02 0.00 -0.52 0.00 0.00 37.83 36.94 2jxt s LYS 13 CO 0.00 0.09 -0.26 -0.59 -0.92 0.00 0.00 175.35 173.67 2jxt s PHE 14 N -0.50 2.34 -0.45 3.18 -0.71 0.16 -0.58 117.98 121.43 2jxt s PHE 14 Ca -0.02 -0.42 -0.29 0.00 -1.04 0.00 0.00 56.93 55.16 2jxt s PHE 14 Cb -0.04 -1.47 0.02 0.00 -1.21 0.00 0.00 43.02 40.32 2jxt s PHE 14 CO -0.00 0.03 1.24 -1.17 -1.34 0.00 0.00 175.22 173.97 2jxt s LEU 15 N -0.83 3.63 -0.06 -1.99 1.98 -0.19 -1.06 118.68 120.16 2jxt s LEU 15 Ca 0.11 0.63 0.00 0.00 -2.89 0.00 0.00 54.13 51.98 2jxt s LEU 15 Cb -0.10 -3.55 0.02 0.00 0.66 0.00 0.00 46.19 43.23 2jxt s LEU 15 CO 0.00 -1.31 -0.04 -0.32 -1.89 0.00 0.00 176.35 172.79 2jxt s MET 16 N 4.60 0.94 -1.19 1.98 1.75 0.42 -4.81 119.30 122.99 2jxt s MET 16 Ca 0.53 -0.09 -0.05 0.00 -1.25 0.00 0.00 55.69 54.82 2jxt s MET 16 Cb -0.10 -1.03 0.01 0.00 2.84 0.00 0.00 34.83 36.55 2jxt s MET 16 CO 0.31 -0.16 0.70 0.41 -0.65 0.00 0.00 175.02 175.64 2jxt n GLY 17 N 4.47 -0.27 2.73 2.11 0.00 -1.26 -2.08 105.19 110.89 2jxt n GLY 17 Ca -0.18 0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.89 -5.43 -4.30 1.61 9.92 -1.26 -4.98 116.55 110.22 2jxt n ASP 18 Ca -0.05 0.17 -0.25 0.00 -0.53 0.00 0.00 54.79 54.14 2jxt n ASP 18 Cb 0.58 -3.55 -0.13 0.00 -0.64 0.00 0.00 41.12 37.38 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 -2.42 1.20 -0.48 -1.24 1.02 -0.88 -5.11 119.74 111.83 2jxt s LYS 19 Ca 0.00 -1.16 -0.22 0.00 0.02 0.00 0.00 55.97 54.61 2jxt s LYS 19 Cb 0.00 -1.48 0.03 0.00 -0.52 0.00 0.00 37.83 35.86 2jxt s LYS 19 CO 0.00 0.35 0.74 -0.51 -0.92 0.00 0.00 175.35 175.01 2jxt s LEU 20 N -1.84 4.44 -0.16 3.17 1.43 -1.26 -0.44 118.68 124.03 2jxt s LEU 20 Ca 0.08 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 2jxt s LEU 20 Cb -0.10 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 2jxt s LEU 20 CO 0.04 -0.93 0.29 -1.10 0.23 0.00 0.00 176.35 174.88 2jxt s GLN 21 N 3.14 4.23 0.39 1.70 1.11 -0.22 -4.83 119.66 125.18 2jxt s GLN 21 Ca 0.25 0.09 -0.25 0.00 0.01 0.00 0.00 55.36 55.46 2jxt s GLN 21 Cb -0.14 -3.42 -0.09 0.00 -1.01 0.00 0.00 33.01 28.36 2jxt s GLN 21 CO 0.19 0.26 1.14 -1.25 0.01 0.00 0.00 175.29 175.63 2jxt s PRO 22 N 0.41 4.11 0.14 2.91 0.04 -1.26 -0.67 135.00 140.68 2jxt s PRO 22 Ca 0.16 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2jxt s PRO 22 Cb -0.13 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 2jxt s PRO 22 CO 0.04 -0.25 -0.06 -0.59 0.04 0.00 0.00 177.00 176.18 2jxt s PHE 23 N -1.45 1.13 -0.24 0.56 -0.12 0.29 -4.90 117.98 113.25 2jxt s PHE 23 Ca 0.56 -0.87 -0.04 0.00 -0.05 0.00 0.00 56.93 56.53 2jxt s PHE 23 Cb -0.29 -0.62 0.08 0.00 -0.63 0.00 0.00 43.02 41.57 2jxt s PHE 23 CO 0.36 -0.06 0.11 0.99 -0.05 0.00 0.00 175.22 176.57 2jxt s THR 24 N -3.50 0.03 -0.24 -4.49 2.01 -1.26 -2.51 115.64 105.68 2jxt s THR 24 Ca 0.17 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.53 2jxt s THR 24 Cb 0.04 -0.89 -0.01 0.00 0.01 0.00 0.00 72.50 71.65 2jxt s THR 24 CO -0.00 -0.53 0.01 -0.54 -0.69 0.00 0.00 174.62 172.86 2jxt s LYS 25 N 2.06 3.44 -0.64 4.92 -0.14 -0.11 -4.93 119.74 124.34 2jxt s LYS 25 Ca 0.06 -0.60 -0.18 0.00 -1.36 0.00 0.00 55.97 53.89 2jxt s LYS 25 Cb -0.16 -3.15 0.12 0.00 -1.68 0.00 0.00 37.83 32.96 2jxt s LYS 25 CO -0.24 -0.22 0.72 -1.21 -0.76 0.00 0.00 175.35 173.64 2jxt s GLU 26 N 1.53 3.14 0.14 1.68 2.02 -1.26 -0.14 118.70 125.80 2jxt s GLU 26 Ca 0.06 -1.52 0.07 0.00 0.02 0.00 0.00 54.97 53.60 2jxt s GLU 26 Cb -0.15 -4.34 -0.04 0.00 0.10 0.00 0.00 34.13 29.70 2jxt s GLU 26 CO -0.00 -1.51 -0.17 -0.48 0.02 0.00 0.00 175.26 173.11 2jxt s LEU 27 N 2.29 2.40 -0.12 1.80 2.34 -0.91 -4.79 118.68 121.70 2jxt s LEU 27 Ca 0.13 -0.80 -0.17 0.00 0.06 0.00 0.00 54.13 53.35 2jxt s LEU 27 Cb -0.22 -0.72 -0.04 0.00 -0.56 0.00 0.00 46.19 44.64 2jxt s LEU 27 CO 0.03 -0.06 0.43 0.54 -1.06 0.00 0.00 176.35 176.22 2jxt s ASN 28 N -2.43 6.63 0.34 1.48 4.22 -1.26 -0.38 114.94 123.53 2jxt s ASN 28 Ca 0.11 0.75 -0.07 0.00 -2.14 0.00 0.00 52.86 51.51 2jxt s ASN 28 Cb -0.06 -2.26 0.01 0.00 1.28 0.00 0.00 41.25 40.22 2jxt s ASN 28 CO 0.05 0.05 0.54 0.00 -2.04 0.00 0.00 177.10 175.70 2jxt s ALA 29 N 0.46 0.30 -0.20 3.54 0.00 0.46 -4.93 121.76 121.39 2jxt s ALA 29 Ca 0.23 -1.26 0.13 0.00 0.00 0.00 0.00 51.96 51.06 2jxt s ALA 29 Cb -0.15 1.04 -0.23 0.00 0.00 0.00 0.00 23.12 23.78 2jxt s ALA 29 CO 0.09 -0.84 0.06 -0.89 0.00 0.00 0.00 175.76 174.18 2jxt n ILE 30 N -0.53 1.44 -3.83 0.00 -0.00 -1.26 0.08 119.36 115.26 2jxt n ILE 30 Ca -0.01 -0.78 -0.08 0.00 -0.00 0.00 0.00 62.75 61.88 2jxt n ILE 30 Cb 0.61 -0.77 0.01 0.00 -0.00 0.00 0.00 39.64 39.48 2jxt n ILE 30 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2jxt s ARG 31 N -2.51 2.01 0.25 0.38 1.70 -1.26 -4.86 118.95 114.65 2jxt s ARG 31 Ca -0.16 -1.22 -0.04 0.00 -0.47 0.00 0.00 55.73 53.84 2jxt s ARG 31 Cb 0.07 0.61 0.44 0.00 -0.57 0.00 0.00 34.95 35.50 2jxt s ARG 31 CO 0.77 -0.93 1.77 0.93 -1.08 0.00 0.00 175.30 176.76 2jxt h GLU 32 N 2.00 0.60 0.00 3.89 5.08 -1.99 -0.08 114.58 124.08 2jxt h GLU 32 Ca -0.27 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2jxt h GLU 32 Cb 1.25 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jxt h GLU 32 CO 0.33 0.40 -0.04 0.93 -1.00 0.00 0.00 179.01 179.63 2jxt h GLU 33 N 0.62 0.00 0.16 2.33 3.07 -2.01 -0.90 114.58 117.85 2jxt h GLU 33 Ca 0.41 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 59.06 2jxt h GLU 33 Cb 0.52 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.45 2jxt h GLU 33 CO -0.32 0.04 -0.92 0.93 -1.40 0.00 0.00 179.01 177.34 2jxt h GLU 34 N 0.00 0.34 -0.12 2.33 4.39 -1.45 -3.35 114.58 116.72 2jxt h GLU 34 Ca -0.00 -0.58 0.04 0.00 0.34 0.00 0.00 59.36 59.16 2jxt h GLU 34 Cb 0.18 0.22 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2jxt h GLU 34 CO 0.01 1.28 -0.21 0.82 -1.16 0.00 0.00 179.01 179.75 2jxt h ILE 35 N -0.29 0.49 -0.14 3.13 2.04 -0.27 -1.79 117.51 120.68 2jxt h ILE 35 Ca -0.16 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.75 2jxt h ILE 35 Cb 1.73 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.23 2jxt h ILE 35 CO 0.17 0.00 -0.36 1.88 0.00 0.00 0.00 178.15 179.84 2jxt h TYR 36 N -0.27 -1.02 -0.60 1.37 0.05 -1.48 -0.12 116.97 114.91 2jxt h TYR 36 Ca 0.10 0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.92 2jxt h TYR 36 Cb 0.41 0.47 -0.03 0.00 1.01 0.00 0.00 36.73 38.59 2jxt h TYR 36 CO -0.31 -0.43 0.36 0.93 -1.05 0.00 0.00 178.16 177.67 2jxt h GLU 37 N -0.43 0.82 -0.60 4.88 4.39 -1.66 0.17 114.58 122.13 2jxt h GLU 37 Ca 0.09 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 2jxt h GLU 37 Cb 0.58 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 2jxt h GLU 37 CO -0.38 0.59 0.38 0.00 -1.16 0.00 0.00 179.01 178.43 2jxt h ARG 38 N 0.81 0.81 -0.07 2.33 2.47 -0.81 0.59 114.38 120.51 2jxt h ARG 38 Ca 0.22 -0.07 -0.01 0.00 -1.26 0.00 0.00 59.98 58.86 2jxt h ARG 38 Cb -0.02 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.12 2jxt h ARG 38 CO -0.04 0.57 0.01 -0.07 0.56 0.00 0.00 179.97 181.00 2jxt h LEU 39 N 0.82 0.12 -2.55 3.04 3.38 -0.77 -2.64 115.31 116.71 2jxt h LEU 39 Ca 0.22 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 2jxt h LEU 39 Cb -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jxt h LEU 39 CO -0.04 0.37 -0.02 1.88 0.09 0.00 0.00 178.44 180.72 2jxt h TYR 40 N -0.15 0.00 0.12 1.13 0.05 -0.76 0.17 116.97 117.53 2jxt h TYR 40 Ca 0.02 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2jxt h TYR 40 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2jxt h TYR 40 CO 0.03 0.02 -0.06 1.03 -1.05 0.00 0.00 178.16 178.13 2jxt h SER 41 N 0.00 -0.13 0.67 3.88 0.87 -0.62 0.56 113.55 118.78 2jxt h SER 41 Ca -0.00 -0.30 -0.03 0.00 -1.23 0.00 0.00 61.79 60.23 2jxt h SER 41 Cb 0.11 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2jxt h SER 41 CO 0.00 0.24 -0.32 -0.08 -0.53 0.00 0.00 176.83 176.14 2jxt h GLU 42 N -0.52 -0.87 -0.87 2.24 4.81 -0.84 -0.27 114.58 118.25 2jxt h GLU 42 Ca -0.02 0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 2jxt h GLU 42 Cb 0.42 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 2jxt h GLU 42 CO 0.03 -0.58 0.53 0.74 -0.73 0.00 0.00 179.01 179.00 2jxt h PHE 43 N -0.94 0.99 -0.45 0.92 0.04 -0.86 -0.20 116.94 116.44 2jxt h PHE 43 Ca -0.09 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.60 2jxt h PHE 43 Cb 0.69 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2jxt h PHE 43 CO 0.07 0.49 -0.15 0.78 -0.60 0.00 0.00 178.31 178.90 2jxt h GLY 44 N 0.96 0.91 0.00 -1.45 0.00 -0.90 0.94 103.07 103.53 2jxt h GLY 44 Ca 0.38 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2jxt h GLY 44 CO -0.18 0.67 0.00 -1.26 0.00 0.00 0.00 176.54 175.76 2jxt n SER 45 N -4.14 0.00 0.05 0.19 2.88 -0.12 -3.05 113.62 109.43 2jxt n SER 45 Ca 0.01 0.17 0.12 0.00 -1.33 0.00 0.00 58.87 57.84 2jxt n SER 45 Cb 0.40 -0.36 0.49 0.00 -0.75 0.00 0.00 64.21 63.98 2jxt n SER 45 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2jxt n LYS 46 N -1.93 0.11 -0.03 -1.46 2.85 -0.14 -3.23 118.16 114.33 2jxt n LYS 46 Ca 0.00 0.16 -0.01 0.00 -1.05 0.00 0.00 58.31 57.41 2jxt n LYS 46 Cb 0.00 -1.64 -0.07 0.00 -0.65 0.00 0.00 35.03 32.66 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 -1.83 0.00 -3.32 5.58 8.25 -1.06 -5.02 115.22 117.83 2jxt n HIS 47 Ca 0.05 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.35 2jxt n HIS 47 Cb 0.33 -0.37 0.08 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.17 -6.15 -4.78 -0.41 1.74 0.29 -4.95 116.66 100.23 2jxt n ARG 48 Ca -0.10 0.76 -0.32 0.00 -0.77 0.00 0.00 57.85 57.42 2jxt n ARG 48 Cb 0.61 -5.54 -0.17 0.00 -1.02 0.00 0.00 32.46 26.34 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 -3.32 2.03 0.68 1.55 1.01 0.61 -4.95 120.40 118.01 2jxt s VAL 49 Ca 0.07 -0.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 2jxt s VAL 49 Cb -0.03 -1.79 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2jxt s VAL 49 CO 0.66 0.55 1.16 -2.16 0.00 0.00 0.00 175.10 175.31 2jxt s PRO 50 N 0.72 2.54 0.40 2.72 0.04 -1.26 -3.56 135.00 136.59 2jxt s PRO 50 Ca -0.10 1.60 0.07 0.00 0.04 0.00 0.00 61.00 62.62 2jxt s PRO 50 Cb -0.16 -1.90 0.83 0.00 0.04 0.00 0.00 34.50 33.31 2jxt s PRO 50 CO 0.00 -1.50 2.03 0.07 0.04 0.00 0.00 177.00 177.65 2jxt h ARG 51 N 0.01 0.53 0.00 4.56 -0.00 -1.94 -0.17 114.38 117.37 2jxt h ARG 51 Ca -0.48 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.46 2jxt h ARG 51 Cb 1.27 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 31.13 2jxt h ARG 51 CO 0.52 0.38 0.00 0.45 -0.00 0.00 0.00 179.97 181.32 2jxt n SER 52 N -4.45 0.57 -0.77 0.08 2.88 -1.26 -2.00 113.62 108.67 2jxt n SER 52 Ca 0.03 0.63 0.12 0.00 -1.33 0.00 0.00 58.87 58.32 2jxt n SER 52 Cb 0.09 -0.75 0.13 0.00 -0.75 0.00 0.00 64.21 62.92 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 -2.11 1.93 -3.84 -1.46 4.76 -0.09 -4.82 118.16 112.53 2jxt n LYS 53 Ca 0.03 -1.55 -0.36 0.00 -2.87 0.00 0.00 58.31 53.56 2jxt n LYS 53 Cb 0.24 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.14 3.41 -0.18 -0.18 1.01 -0.85 -1.02 120.40 120.46 2jxt s VAL 54 Ca 0.27 -1.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2jxt s VAL 54 Cb 0.20 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2jxt s VAL 54 CO 0.38 0.01 -0.03 -0.75 0.00 0.00 0.00 175.10 174.71 2jxt s LYS 55 N 1.37 3.60 -0.30 2.72 2.47 0.26 -4.96 119.74 124.91 2jxt s LYS 55 Ca -0.01 -0.54 -0.12 0.00 -1.56 0.00 0.00 55.97 53.74 2jxt s LYS 55 Cb -0.18 -2.98 -0.04 0.00 -1.46 0.00 0.00 37.83 33.17 2jxt s LYS 55 CO -0.00 0.10 0.21 0.42 0.16 0.00 0.00 175.35 176.24 2jxt s ILE 56 N 0.74 5.30 -0.18 5.43 1.01 -1.26 -0.79 121.20 131.45 2jxt s ILE 56 Ca -0.01 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 2jxt s ILE 56 Cb -0.14 -3.60 -0.21 0.00 0.01 0.00 0.00 42.46 38.51 2jxt s ILE 56 CO 0.02 0.16 0.17 -0.62 0.00 0.00 0.00 174.94 174.67 2jxt n GLU 57 N 5.08 0.67 -3.97 2.79 -0.58 0.41 -4.97 120.64 120.08 2jxt n GLU 57 Ca -0.13 0.34 -0.10 0.00 -0.42 0.00 0.00 57.16 56.84 2jxt n GLU 57 Cb 0.51 -1.67 -0.12 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.49 0.26 -0.19 3.49 2.12 -0.25 -5.01 118.70 116.62 2jxt s GLU 58 Ca -0.28 -0.46 -0.03 0.00 0.36 0.00 0.00 54.97 54.56 2jxt s GLU 58 Cb 0.08 0.04 0.06 0.00 0.26 0.00 0.00 34.13 34.56 2jxt s GLU 58 CO 0.67 -0.02 0.04 0.42 -0.54 0.00 0.00 175.26 175.82 2jxt s ILE 59 N -1.06 0.47 0.29 -3.70 1.01 -1.26 -0.46 121.20 116.50 2jxt s ILE 59 Ca -0.11 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.12 2jxt s ILE 59 Cb -0.07 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 2jxt s ILE 59 CO -0.01 -0.19 0.25 -0.70 0.00 0.00 0.00 174.94 174.29 2jxt s GLU 60 N 1.88 2.84 -0.04 2.79 2.56 -0.29 -4.94 118.70 123.50 2jxt s GLU 60 Ca -0.00 -1.17 0.03 0.00 0.00 0.00 0.00 54.97 53.83 2jxt s GLU 60 Cb -0.17 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.43 2jxt s GLU 60 CO -0.08 0.25 -0.14 -2.00 -0.56 0.00 0.00 175.26 172.73 2jxt s GLU 61 N -3.92 1.55 0.10 4.30 -6.30 -1.26 0.78 118.70 113.94 2jxt s GLU 61 Ca 0.37 -0.49 0.00 0.00 -2.50 0.00 0.00 54.97 52.35 2jxt s GLU 61 Cb -0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 34.13 32.67 2jxt s GLU 61 CO 0.26 0.17 -0.01 0.96 0.02 0.00 0.00 175.26 176.66 2jxt s ILE 62 N 0.19 0.36 0.47 -3.70 -4.36 0.32 -4.91 121.20 109.57 2jxt s ILE 62 Ca -0.06 -1.89 -0.22 0.00 -0.26 0.00 0.00 60.65 58.23 2jxt s ILE 62 Cb -0.11 -1.78 -0.08 0.00 1.25 0.00 0.00 42.46 41.74 2jxt s ILE 62 CO 0.02 -0.76 1.10 -0.44 0.24 0.00 0.00 174.94 175.10 2jxt s SER 63 N -3.02 6.28 0.32 4.36 0.01 -1.26 -3.62 113.70 116.77 2jxt s SER 63 Ca 0.15 2.12 0.05 0.00 1.31 0.00 0.00 55.95 59.58 2jxt s SER 63 Cb 0.07 -2.58 0.68 0.00 0.21 0.00 0.00 66.02 64.40 2jxt s SER 63 CO -0.04 -0.83 1.85 1.55 0.41 0.00 0.00 173.24 176.18 2jxt h PRO 64 N 1.89 0.83 0.00 12.44 0.13 -1.95 -0.51 132.00 144.83 2jxt h PRO 64 Ca -0.49 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.57 2jxt h PRO 64 Cb 1.24 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2jxt h PRO 64 CO 0.60 0.55 -0.10 1.05 -0.23 0.00 0.00 178.00 179.86 2jxt h GLU 65 N 0.85 0.00 0.00 0.86 4.11 -1.93 -3.11 114.58 115.37 2jxt h GLU 65 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.91 2jxt h GLU 65 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2jxt h GLU 65 CO -0.24 0.10 -0.25 0.93 0.07 0.00 0.00 179.01 179.62 2jxt h GLU 66 N 0.00 0.00 -6.57 1.06 4.39 -1.46 -3.47 114.58 108.53 2jxt h GLU 66 Ca -0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 2jxt h GLU 66 Cb 0.69 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.39 2jxt h GLU 66 CO 0.01 0.00 0.96 0.28 -1.16 0.00 0.00 179.01 179.11 2jxt n VAL 67 N -2.53 0.08 0.09 3.13 0.31 -1.17 -4.91 118.33 113.33 2jxt n VAL 67 Ca 0.04 -0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.21 2jxt n VAL 67 Cb 0.48 -1.86 -0.08 0.00 -0.91 0.00 0.00 33.84 31.47 2jxt n VAL 67 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 2jxt h GLN 68 N 6.88 0.33 -6.26 5.55 4.20 -1.92 -3.45 115.11 120.44 2jxt h GLN 68 Ca -0.44 -0.43 -0.55 0.00 0.06 0.00 0.00 58.65 57.28 2jxt h GLN 68 Cb 1.22 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.14 2jxt h GLN 68 CO 0.93 1.14 1.12 0.34 -0.67 0.00 0.00 178.83 181.69 2jxt s ASP 69 N -7.10 6.56 0.33 1.46 -1.08 -1.26 -4.91 116.67 110.66 2jxt s ASP 69 Ca -0.05 2.13 0.07 0.00 -0.52 0.00 0.00 52.55 54.18 2jxt s ASP 69 Cb 0.08 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.59 2jxt s ASP 69 CO 0.87 -1.03 1.80 1.55 0.52 0.00 0.00 175.17 178.87 2jxt h PRO 70 N 10.02 0.30 -0.05 4.34 0.13 -1.97 -0.70 132.00 144.07 2jxt h PRO 70 Ca -0.39 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2jxt h PRO 70 Cb 1.18 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jxt h PRO 70 CO 0.96 0.54 -0.03 0.28 -0.23 0.00 0.00 178.00 179.52 2jxt h VAL 71 N 0.27 1.34 -0.17 1.56 2.07 -1.98 -2.44 116.25 116.91 2jxt h VAL 71 Ca 0.04 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.44 2jxt h VAL 71 Cb 0.59 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2jxt h VAL 71 CO 0.04 0.29 -0.13 0.58 0.02 0.00 0.00 177.57 178.37 2jxt h VAL 72 N -0.29 1.33 -0.47 2.57 2.07 -1.86 -2.43 116.25 117.17 2jxt h VAL 72 Ca 0.01 -1.25 0.09 0.00 0.82 0.00 0.00 66.70 66.37 2jxt h VAL 72 Cb 0.48 1.79 -0.09 0.00 -1.52 0.00 0.00 31.29 31.95 2jxt h VAL 72 CO 0.01 0.37 -0.12 0.50 0.02 0.00 0.00 177.57 178.35 2jxt h LYS 73 N 0.04 -0.01 -0.30 1.57 3.64 -1.18 -0.79 116.57 119.54 2jxt h LYS 73 Ca 0.03 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2jxt h LYS 73 Cb 0.64 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 2jxt h LYS 73 CO 0.03 -0.01 -0.18 0.00 -2.27 0.00 0.00 179.45 177.03 2jxt h ALA 74 N 1.45 1.12 -0.62 5.00 0.00 -1.48 -1.55 119.26 123.17 2jxt h ALA 74 Ca 0.22 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2jxt h ALA 74 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2jxt h ALA 74 CO -0.49 0.55 0.31 1.25 0.00 0.00 0.00 179.25 180.87 2jxt h LEU 75 N 0.50 0.77 0.01 0.00 6.46 -0.65 -1.79 115.31 120.61 2jxt h LEU 75 Ca 0.08 -0.07 -0.12 0.00 -0.12 0.00 0.00 57.88 57.65 2jxt h LEU 75 Cb 0.60 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 2jxt h LEU 75 CO 0.04 0.64 -0.67 0.58 -0.62 0.00 0.00 178.44 178.42 2jxt h VAL 76 N 0.86 1.34 0.00 1.05 2.07 -1.23 -3.37 116.25 116.98 2jxt h VAL 76 Ca 0.22 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 2jxt h VAL 76 Cb 0.07 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2jxt h VAL 76 CO -0.03 0.47 -0.05 1.56 0.02 0.00 0.00 177.57 179.54 2jxt h GLN 77 N -0.96 0.00 -0.30 1.57 4.20 -1.28 -2.84 115.11 115.50 2jxt h GLN 77 Ca -0.18 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 2jxt h GLN 77 Cb 1.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 2jxt h GLN 77 CO -0.10 0.05 0.12 0.07 -0.67 0.00 0.00 178.83 178.30 2jxt h ARG 78 N 0.00 0.45 0.00 1.46 0.11 -1.49 -3.17 114.38 111.74 2jxt h ARG 78 Ca -0.00 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 59.98 2jxt h ARG 78 Cb 0.14 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 31.14 2jxt h ARG 78 CO 0.01 0.47 -0.07 1.37 0.10 0.00 0.00 179.97 181.85 2jxt h LEU 79 N 0.33 0.00 0.00 0.08 8.10 -1.69 -3.45 115.31 118.68 2jxt h LEU 79 Ca 0.10 0.00 -0.36 0.00 0.11 0.00 0.00 57.88 57.73 2jxt h LEU 79 Cb 0.19 0.00 0.12 0.00 -0.44 0.00 0.00 40.66 40.53 2jxt h LEU 79 CO -0.01 0.07 0.27 -0.62 -4.11 0.00 0.00 178.44 174.04 2jxt n GLU 80 N -3.13 -0.76 -3.96 0.17 -0.58 -1.20 -5.09 120.64 106.10 2jxt n GLU 80 Ca 0.03 -1.84 -0.26 0.00 -0.42 0.00 0.00 57.16 54.67 2jxt n GLU 80 Cb 0.50 -0.96 -0.03 0.00 -0.57 0.00 0.00 31.44 30.38 2jxt n GLU 80 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2jxt s HIS 81 N -3.13 3.46 -0.48 -0.32 3.76 -1.26 -5.03 115.29 112.28 2jxt s HIS 81 Ca 0.60 0.09 -0.17 0.00 -0.15 0.00 0.00 55.06 55.43 2jxt s HIS 81 Cb -0.02 -1.65 0.07 0.00 1.11 0.00 0.00 32.58 32.09 2jxt s HIS 81 CO 0.41 0.51 0.48 -1.01 -0.85 0.00 0.00 174.74 174.28 2jxt s HIS 82 N -1.77 3.17 0.57 1.40 3.76 -1.26 -4.93 115.29 116.23 2jxt s HIS 82 Ca 0.34 -0.78 0.27 0.00 -0.15 0.00 0.00 55.06 54.74 2jxt s HIS 82 Cb -0.11 -3.30 1.70 0.00 1.11 0.00 0.00 32.58 31.98 2jxt s HIS 82 CO 0.28 -0.88 2.23 1.25 -0.85 0.00 0.00 174.74 176.77 2jxt h HIS 83 N 8.84 0.00 -3.93 1.40 2.76 -1.99 -3.41 115.15 118.82 2jxt h HIS 83 Ca -0.28 0.00 -0.25 0.00 -2.20 0.00 0.00 60.37 57.64 2jxt h HIS 83 Cb 1.10 0.00 -0.19 0.00 1.55 0.00 0.00 27.41 29.87 2jxt h HIS 83 CO 0.68 0.01 -0.72 -3.38 -1.30 0.00 0.00 177.93 173.22 2jxt s HIS 84 N -4.69 0.70 -0.05 5.26 -3.43 -1.26 -5.11 115.29 106.71 2jxt s HIS 84 Ca -0.05 -0.65 -0.31 0.00 -0.80 0.00 0.00 55.06 53.25 2jxt s HIS 84 Cb 0.15 -0.42 -0.09 0.00 -1.43 0.00 0.00 32.58 30.79 2jxt s HIS 84 CO 0.57 -0.12 2.01 1.58 -2.00 0.00 0.00 174.74 176.78 2jxt n HIS 85 N 0.97 2.35 -1.28 0.38 -0.00 -1.26 -5.20 115.22 111.17 2jxt n HIS 85 Ca -0.19 -0.23 0.00 0.00 0.46 0.00 0.00 57.72 57.76 2jxt n HIS 85 Cb 0.57 -2.75 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 2jxt n HIS 85 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38