#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 3.55 0.01 2.12 -2.85 -1.26 -4.95 119.74 116.36 2jxt s LYS 2 Ca 0.00 0.80 -0.35 0.00 -1.00 0.00 0.00 55.97 55.42 2jxt s LYS 2 Cb 0.00 -2.07 -0.14 0.00 -2.06 0.00 0.00 37.83 33.56 2jxt s LYS 2 CO 0.00 -0.61 1.68 -0.12 0.10 0.00 0.00 175.35 176.40 2jxt n MET 3 N -2.69 1.94 -3.35 1.78 0.00 -1.26 -4.99 117.12 108.55 2jxt n MET 3 Ca 0.06 0.71 -0.19 0.00 -0.00 0.00 0.00 57.70 58.28 2jxt n MET 3 Cb 0.54 -2.48 -0.00 0.00 0.00 0.00 0.00 33.22 31.28 2jxt n MET 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2jxt s LYS 4 N 2.33 3.06 0.01 2.12 1.02 -1.26 -5.07 119.74 121.95 2jxt s LYS 4 Ca 0.87 -0.99 -0.30 0.00 0.02 0.00 0.00 55.97 55.56 2jxt s LYS 4 Cb -0.76 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 2jxt s LYS 4 CO 0.47 -0.03 1.22 -0.08 -0.92 0.00 0.00 175.35 176.01 2jxt s THR 5 N -2.24 4.10 -0.04 2.17 -1.32 -1.26 -4.86 115.64 112.18 2jxt s THR 5 Ca 0.47 1.47 -0.03 0.00 -1.21 0.00 0.00 61.69 62.39 2jxt s THR 5 Cb -0.10 -3.95 -0.04 0.00 -1.51 0.00 0.00 72.50 66.91 2jxt s THR 5 CO 0.32 0.06 0.12 -0.54 -2.21 0.00 0.00 174.62 172.37 2jxt s LYS 6 N 1.67 3.27 -0.08 7.08 1.02 0.38 -4.84 119.74 128.24 2jxt s LYS 6 Ca 0.58 -0.33 -0.17 0.00 0.02 0.00 0.00 55.97 56.07 2jxt s LYS 6 Cb -0.28 -3.01 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 2jxt s LYS 6 CO 0.26 0.70 0.45 0.42 -0.92 0.00 0.00 175.35 176.26 2jxt s ILE 7 N -1.16 5.13 -0.16 2.17 1.09 -1.21 -0.04 121.20 127.02 2jxt s ILE 7 Ca 0.21 0.91 0.02 0.00 -1.10 0.00 0.00 60.65 60.69 2jxt s ILE 7 Cb -0.12 -3.78 0.02 0.00 -1.06 0.00 0.00 42.46 37.51 2jxt s ILE 7 CO 0.12 0.40 -0.21 -0.36 -0.10 0.00 0.00 174.94 174.79 2jxt s PHE 8 N 0.13 2.71 -0.61 3.97 0.08 0.56 -0.77 117.98 124.05 2jxt s PHE 8 Ca 0.25 -1.51 -0.19 0.00 0.12 0.00 0.00 56.93 55.60 2jxt s PHE 8 Cb -0.16 -1.86 0.11 0.00 -0.57 0.00 0.00 43.02 40.54 2jxt s PHE 8 CO 0.11 -0.73 0.73 0.50 -0.10 0.00 0.00 175.22 175.73 2jxt s ARG 9 N 1.11 3.08 -0.16 0.44 3.52 0.40 -1.38 118.95 125.96 2jxt s ARG 9 Ca 0.00 -1.36 -0.17 0.00 -0.13 0.00 0.00 55.73 54.08 2jxt s ARG 9 Cb -0.14 -4.29 -0.04 0.00 -1.56 0.00 0.00 34.95 28.92 2jxt s ARG 9 CO -0.09 -1.55 0.42 0.08 -0.81 0.00 0.00 175.30 173.36 2jxt s VAL 10 N 2.65 5.20 -0.12 7.11 1.01 0.91 -1.87 120.40 135.28 2jxt s VAL 10 Ca 0.12 0.81 -0.02 0.00 0.00 0.00 0.00 61.98 62.89 2jxt s VAL 10 Cb -0.23 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 2jxt s VAL 10 CO 0.05 0.30 -0.05 -0.75 0.00 0.00 0.00 175.10 174.66 2jxt s LYS 11 N 0.91 3.32 0.00 2.72 2.47 0.77 0.03 119.74 129.97 2jxt s LYS 11 Ca 0.22 -0.52 0.00 0.00 -1.56 0.00 0.00 55.97 54.11 2jxt s LYS 11 Cb -0.15 -2.80 0.00 0.00 -1.46 0.00 0.00 37.83 33.43 2jxt s LYS 11 CO 0.08 0.42 0.00 0.41 0.16 0.00 0.00 175.35 176.42 2jxt n GLY 12 N 2.99 2.27 3.02 5.54 0.00 -0.71 -0.09 105.19 118.21 2jxt n GLY 12 Ca -0.18 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.88 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 0.33 0.79 -0.08 1.61 1.02 -0.24 -0.08 119.74 123.09 2jxt s LYS 13 Ca 0.00 -0.32 0.03 0.00 0.02 0.00 0.00 55.97 55.71 2jxt s LYS 13 Cb 0.00 -0.76 -0.02 0.00 -0.52 0.00 0.00 37.83 36.53 2jxt s LYS 13 CO 0.00 0.17 -0.17 -0.59 -0.92 0.00 0.00 175.35 173.84 2jxt s PHE 14 N -0.10 2.66 -0.55 3.18 -0.71 0.10 -2.03 117.98 120.53 2jxt s PHE 14 Ca 0.02 -0.45 -0.28 0.00 -1.04 0.00 0.00 56.93 55.17 2jxt s PHE 14 Cb -0.05 -1.69 0.03 0.00 -1.21 0.00 0.00 43.02 40.10 2jxt s PHE 14 CO -0.00 -0.04 1.24 -1.17 -1.34 0.00 0.00 175.22 173.91 2jxt s LEU 15 N -0.26 3.48 -0.25 -1.99 1.98 0.28 -1.96 118.68 119.95 2jxt s LEU 15 Ca 0.01 0.24 0.03 0.00 -2.89 0.00 0.00 54.13 51.52 2jxt s LEU 15 Cb -0.13 -3.23 0.06 0.00 0.66 0.00 0.00 46.19 43.55 2jxt s LEU 15 CO 0.03 -1.49 -0.11 -0.32 -1.89 0.00 0.00 176.35 172.57 2jxt s MET 16 N 4.99 2.24 -1.09 1.98 1.75 0.32 -4.76 119.30 124.74 2jxt s MET 16 Ca 0.47 -1.28 -0.02 0.00 -1.25 0.00 0.00 55.69 53.61 2jxt s MET 16 Cb -0.08 -2.84 0.00 0.00 2.84 0.00 0.00 34.83 34.75 2jxt s MET 16 CO 0.27 -0.55 0.92 0.41 -0.65 0.00 0.00 175.02 175.42 2jxt n GLY 17 N 4.46 -0.29 2.33 2.11 0.00 -1.26 -2.25 105.19 110.30 2jxt n GLY 17 Ca -0.14 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.79 -4.56 -4.20 1.61 8.00 -1.26 -4.96 116.55 108.38 2jxt n ASP 18 Ca -0.20 0.41 -0.25 0.00 0.71 0.00 0.00 54.79 55.46 2jxt n ASP 18 Cb 0.63 -4.10 -0.15 0.00 -0.02 0.00 0.00 41.12 37.48 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 -3.52 1.45 -0.37 -1.24 1.02 -0.95 -5.12 119.74 111.01 2jxt s LYS 19 Ca 0.00 -0.73 -0.18 0.00 0.02 0.00 0.00 55.97 55.08 2jxt s LYS 19 Cb 0.00 -1.44 0.00 0.00 -0.52 0.00 0.00 37.83 35.87 2jxt s LYS 19 CO 0.00 0.39 0.52 -0.51 -0.92 0.00 0.00 175.35 174.83 2jxt s LEU 20 N -0.63 4.44 -0.15 3.17 1.43 -1.26 -0.52 118.68 125.16 2jxt s LEU 20 Ca 0.07 -0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 52.97 2jxt s LEU 20 Cb -0.08 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2jxt s LEU 20 CO -0.00 -0.54 -0.03 -1.10 0.23 0.00 0.00 176.35 174.90 2jxt s GLN 21 N 2.43 3.67 -0.02 1.70 1.11 -0.83 -4.92 119.66 122.79 2jxt s GLN 21 Ca 0.18 -0.51 -0.30 0.00 0.01 0.00 0.00 55.36 54.74 2jxt s GLN 21 Cb -0.15 -2.92 -0.04 0.00 -1.01 0.00 0.00 33.01 28.89 2jxt s GLN 21 CO 0.14 0.25 1.15 -1.25 0.01 0.00 0.00 175.29 175.60 2jxt s PRO 22 N 0.34 4.41 0.17 2.91 0.04 -1.26 -0.72 135.00 140.89 2jxt s PRO 22 Ca -0.04 1.64 0.07 0.00 0.04 0.00 0.00 61.00 62.70 2jxt s PRO 22 Cb -0.14 -3.49 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2jxt s PRO 22 CO 0.03 -0.33 0.04 -0.59 0.04 0.00 0.00 177.00 176.19 2jxt s PHE 23 N 1.74 2.94 -0.45 0.56 -0.12 0.88 -4.95 117.98 118.59 2jxt s PHE 23 Ca 0.55 -0.10 0.04 0.00 -0.05 0.00 0.00 56.93 57.37 2jxt s PHE 23 Cb -0.25 -1.42 0.12 0.00 -0.63 0.00 0.00 43.02 40.85 2jxt s PHE 23 CO 0.24 0.52 0.19 0.99 -0.05 0.00 0.00 175.22 177.11 2jxt s THR 24 N -1.76 2.29 -0.33 -4.49 2.01 -1.26 -1.74 115.64 110.36 2jxt s THR 24 Ca 0.29 -2.88 -0.12 0.00 0.31 0.00 0.00 61.69 59.29 2jxt s THR 24 Cb -0.09 -2.63 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 2jxt s THR 24 CO 0.20 -0.75 0.23 -0.54 -0.69 0.00 0.00 174.62 173.07 2jxt s LYS 25 N 0.20 3.52 -0.13 4.92 -0.14 0.10 -4.93 119.74 123.29 2jxt s LYS 25 Ca 0.15 -0.62 -0.16 0.00 -1.36 0.00 0.00 55.97 53.98 2jxt s LYS 25 Cb -0.23 -3.77 -0.05 0.00 -1.68 0.00 0.00 37.83 32.10 2jxt s LYS 25 CO -0.03 -0.42 0.38 -1.21 -0.76 0.00 0.00 175.35 173.31 2jxt s GLU 26 N 1.71 4.26 -0.07 1.68 2.02 -1.26 -0.06 118.70 126.98 2jxt s GLU 26 Ca 0.06 0.28 -0.20 0.00 0.02 0.00 0.00 54.97 55.12 2jxt s GLU 26 Cb -0.17 -3.41 0.04 0.00 0.10 0.00 0.00 34.13 30.69 2jxt s GLU 26 CO 0.10 0.24 0.47 -0.48 0.02 0.00 0.00 175.26 175.62 2jxt s LEU 27 N 0.40 0.20 -0.18 1.80 2.34 -0.48 -4.85 118.68 117.90 2jxt s LEU 27 Ca 0.21 0.51 -0.08 0.00 0.06 0.00 0.00 54.13 54.84 2jxt s LEU 27 Cb -0.14 1.77 -0.04 0.00 -0.56 0.00 0.00 46.19 47.21 2jxt s LEU 27 CO 0.07 -0.43 0.07 0.54 -1.06 0.00 0.00 176.35 175.54 2jxt s ASN 28 N -0.87 5.66 0.04 1.48 4.22 -1.26 -0.32 114.94 123.88 2jxt s ASN 28 Ca -0.09 0.09 -0.01 0.00 -2.14 0.00 0.00 52.86 50.71 2jxt s ASN 28 Cb -0.03 -1.97 0.00 0.00 1.28 0.00 0.00 41.25 40.53 2jxt s ASN 28 CO 0.05 0.17 0.07 0.00 -2.04 0.00 0.00 177.10 175.35 2jxt n ALA 29 N 3.53 -0.11 -0.07 3.54 0.00 0.94 -4.86 120.51 123.49 2jxt n ALA 29 Ca -0.17 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.07 2jxt n ALA 29 Cb 0.52 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 20.08 2jxt n ALA 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2jxt n ILE 30 N -0.06 1.22 -4.52 0.00 -0.00 -1.26 -0.47 119.36 114.27 2jxt n ILE 30 Ca -0.00 0.23 -0.25 0.00 -0.00 0.00 0.00 62.75 62.73 2jxt n ILE 30 Cb 0.06 -2.23 -0.10 0.00 -0.00 0.00 0.00 39.64 37.37 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 -2.30 1.77 0.40 0.38 1.70 -1.26 -4.84 118.95 114.80 2jxt s ARG 31 Ca -0.18 -1.90 0.07 0.00 -0.47 0.00 0.00 55.73 53.26 2jxt s ARG 31 Cb 0.02 -1.64 0.85 0.00 -0.57 0.00 0.00 34.95 33.61 2jxt s ARG 31 CO 0.27 0.15 2.03 0.93 -1.08 0.00 0.00 175.30 177.59 2jxt h GLU 32 N 2.09 0.57 0.00 3.89 3.07 -2.01 -0.72 114.58 121.46 2jxt h GLU 32 Ca -0.41 -0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2jxt h GLU 32 Cb 1.25 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.03 2jxt h GLU 32 CO 0.69 0.38 -0.01 0.93 -1.40 0.00 0.00 179.01 179.60 2jxt h GLU 33 N 0.59 0.00 -0.36 2.33 5.08 -2.02 -0.98 114.58 119.22 2jxt h GLU 33 Ca 0.20 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2jxt h GLU 33 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2jxt h GLU 33 CO -0.05 0.01 0.13 0.93 -1.00 0.00 0.00 179.01 179.03 2jxt h GLU 34 N 0.00 0.55 -0.53 2.33 4.39 -1.53 -3.20 114.58 116.58 2jxt h GLU 34 Ca -0.00 -0.11 0.10 0.00 0.34 0.00 0.00 59.36 59.70 2jxt h GLU 34 Cb 0.01 -0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 28.49 2jxt h GLU 34 CO 0.00 0.55 0.02 0.82 -1.16 0.00 0.00 179.01 179.25 2jxt h ILE 35 N 0.44 0.60 0.17 3.13 2.04 -1.19 -0.48 117.51 122.22 2jxt h ILE 35 Ca 0.12 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2jxt h ILE 35 Cb 0.22 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2jxt h ILE 35 CO -0.01 0.03 -0.31 1.88 0.00 0.00 0.00 178.15 179.74 2jxt h TYR 36 N 0.14 -0.83 -0.73 1.37 0.05 -1.53 0.18 116.97 115.62 2jxt h TYR 36 Ca 0.27 0.02 0.05 0.00 0.05 0.00 0.00 58.73 59.11 2jxt h TYR 36 Cb 0.42 0.34 -0.05 0.00 1.01 0.00 0.00 36.73 38.45 2jxt h TYR 36 CO -0.31 -0.42 0.44 0.93 -1.05 0.00 0.00 178.16 177.75 2jxt h GLU 37 N -0.56 0.81 -0.22 4.88 4.39 -1.44 -0.51 114.58 121.92 2jxt h GLU 37 Ca 0.02 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2jxt h GLU 37 Cb 0.56 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2jxt h GLU 37 CO -0.15 0.54 0.06 0.00 -1.16 0.00 0.00 179.01 178.30 2jxt h ARG 38 N 0.83 0.34 -0.35 2.33 2.47 -0.74 -1.73 114.38 117.53 2jxt h ARG 38 Ca 0.31 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.87 2jxt h ARG 38 Cb 0.11 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2jxt h ARG 38 CO -0.15 0.44 -0.11 -0.07 0.56 0.00 0.00 179.97 180.64 2jxt h LEU 39 N 0.18 0.70 -1.80 3.04 3.38 -0.76 0.03 115.31 120.08 2jxt h LEU 39 Ca 0.07 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2jxt h LEU 39 Cb 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2jxt h LEU 39 CO -0.00 0.92 -0.14 1.88 0.09 0.00 0.00 178.44 181.19 2jxt h TYR 40 N 0.48 0.00 0.09 1.13 0.05 -1.10 0.19 116.97 117.81 2jxt h TYR 40 Ca 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2jxt h TYR 40 Cb 0.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 2jxt h TYR 40 CO 0.05 0.14 -0.04 1.03 -1.05 0.00 0.00 178.16 178.29 2jxt h SER 41 N 0.00 -0.10 0.70 3.88 0.87 -1.02 -3.16 113.55 114.72 2jxt h SER 41 Ca -0.00 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.03 2jxt h SER 41 Cb 0.39 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2jxt h SER 41 CO 0.02 0.54 -0.33 -0.08 -0.53 0.00 0.00 176.83 176.44 2jxt h GLU 42 N -0.84 -0.90 -0.44 2.24 4.81 -0.64 -1.04 114.58 117.77 2jxt h GLU 42 Ca -0.01 0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.41 2jxt h GLU 42 Cb 0.59 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 2jxt h GLU 42 CO 0.02 -0.58 0.38 0.74 -0.73 0.00 0.00 179.01 178.84 2jxt h PHE 43 N -1.03 0.00 -0.00 0.92 -1.00 -0.83 -0.06 116.94 114.94 2jxt h PHE 43 Ca -0.10 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.67 2jxt h PHE 43 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 2jxt h PHE 43 CO -0.01 0.00 -0.06 0.78 -1.61 0.00 0.00 178.31 177.41 2jxt h GLY 44 N 0.00 0.05 0.54 -1.45 0.00 -1.45 0.55 103.07 101.32 2jxt h GLY 44 Ca 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 2jxt h GLY 44 CO -0.00 0.07 -0.26 1.76 0.00 0.00 0.00 176.54 178.11 2jxt h SER 45 N -0.67 -0.62 0.08 0.19 0.02 -0.03 -3.21 113.55 109.31 2jxt h SER 45 Ca -0.01 0.02 -0.31 0.00 -0.84 0.00 0.00 61.79 60.65 2jxt h SER 45 Cb 0.80 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 2jxt h SER 45 CO 0.01 -0.21 -1.72 2.29 -1.14 0.00 0.00 176.83 176.07 2jxt n LYS 46 N -5.25 0.68 0.10 3.45 2.85 -0.15 -4.45 118.16 115.40 2jxt n LYS 46 Ca -0.09 0.39 0.12 0.00 -1.05 0.00 0.00 58.31 57.68 2jxt n LYS 46 Cb 0.29 -1.72 0.26 0.00 -0.65 0.00 0.00 35.03 33.20 2jxt n LYS 46 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2jxt h HIS 47 N -0.36 0.00 -1.02 5.58 2.76 -1.49 -3.47 115.15 117.14 2jxt h HIS 47 Ca -0.40 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.40 2jxt h HIS 47 Cb 1.75 0.00 -0.14 0.00 1.55 0.00 0.00 27.41 30.57 2jxt h HIS 47 CO 0.08 0.00 -0.35 0.54 -1.30 0.00 0.00 177.93 176.90 2jxt n ARG 48 N -2.32 -1.29 -4.45 5.26 1.74 0.17 -4.93 116.66 110.83 2jxt n ARG 48 Ca 0.04 1.12 -0.34 0.00 -0.77 0.00 0.00 57.85 57.91 2jxt n ARG 48 Cb 0.45 -5.42 -0.14 0.00 -1.02 0.00 0.00 32.46 26.33 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 -2.70 3.12 0.77 1.55 1.01 0.12 -4.97 120.40 119.29 2jxt s VAL 49 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 2jxt s VAL 49 Cb 0.00 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 34.08 2jxt s VAL 49 CO 0.00 0.49 1.08 -2.16 0.00 0.00 0.00 175.10 174.52 2jxt s PRO 50 N 0.75 2.34 0.34 2.72 0.04 -1.26 -3.82 135.00 136.11 2jxt s PRO 50 Ca -0.04 0.97 0.08 0.00 0.04 0.00 0.00 61.00 62.05 2jxt s PRO 50 Cb -0.15 -1.92 0.81 0.00 0.04 0.00 0.00 34.50 33.27 2jxt s PRO 50 CO 0.02 -1.53 1.82 0.07 0.04 0.00 0.00 177.00 177.42 2jxt h ARG 51 N -1.03 0.69 0.00 4.56 0.11 -1.89 -0.35 114.38 116.46 2jxt h ARG 51 Ca -0.45 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 59.58 2jxt h ARG 51 Cb 1.24 -0.15 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 2jxt h ARG 51 CO 0.55 0.45 -0.07 1.03 0.10 0.00 0.00 179.97 182.03 2jxt h SER 52 N 0.71 0.00 -0.02 0.08 0.87 -2.03 -2.09 113.55 111.07 2jxt h SER 52 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.08 2jxt h SER 52 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2jxt h SER 52 CO -0.28 0.07 -0.12 0.29 -0.53 0.00 0.00 176.83 176.26 2jxt n LYS 53 N -3.34 1.82 -4.15 2.24 4.76 -0.17 -4.88 118.16 114.44 2jxt n LYS 53 Ca -0.01 -1.55 -0.34 0.00 -2.87 0.00 0.00 58.31 53.54 2jxt n LYS 53 Cb 0.24 -1.41 -0.14 0.00 -1.84 0.00 0.00 35.03 31.87 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 -1.93 3.13 0.01 -0.18 1.01 -0.79 -0.56 120.40 121.10 2jxt s VAL 54 Ca 0.23 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 2jxt s VAL 54 Cb 0.18 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 2jxt s VAL 54 CO 0.34 0.46 -0.01 -0.75 0.00 0.00 0.00 175.10 175.14 2jxt s LYS 55 N 1.16 0.18 0.04 2.72 2.47 -0.86 -4.88 119.74 120.56 2jxt s LYS 55 Ca 0.02 -0.32 0.01 0.00 -1.56 0.00 0.00 55.97 54.11 2jxt s LYS 55 Cb -0.14 0.06 -0.04 0.00 -1.46 0.00 0.00 37.83 36.25 2jxt s LYS 55 CO -0.02 -0.03 0.10 0.42 0.16 0.00 0.00 175.35 175.97 2jxt s ILE 56 N -0.79 4.72 0.01 5.43 1.01 -1.26 -1.08 121.20 129.24 2jxt s ILE 56 Ca -0.09 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 2jxt s ILE 56 Cb -0.05 -3.23 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2jxt s ILE 56 CO -0.00 0.23 -0.05 -0.62 0.00 0.00 0.00 174.94 174.50 2jxt n GLU 57 N 0.76 0.07 -3.99 2.79 1.02 0.87 -4.90 120.64 117.26 2jxt n GLU 57 Ca -0.10 0.03 -0.31 0.00 -0.02 0.00 0.00 57.16 56.76 2jxt n GLU 57 Cb 0.52 -0.43 -0.16 0.00 -0.02 0.00 0.00 31.44 31.35 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 -1.59 1.96 -0.28 3.49 2.12 0.03 -4.98 118.70 119.44 2jxt s GLU 58 Ca -0.04 -0.94 -0.11 0.00 0.36 0.00 0.00 54.97 54.24 2jxt s GLU 58 Cb 0.01 -2.52 -0.05 0.00 0.26 0.00 0.00 34.13 31.83 2jxt s GLU 58 CO 0.06 -0.48 0.19 0.42 -0.54 0.00 0.00 175.26 174.90 2jxt s ILE 59 N 1.36 5.26 -0.10 -3.70 1.01 -1.26 -0.16 121.20 123.61 2jxt s ILE 59 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 2jxt s ILE 59 Cb -0.17 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2jxt s ILE 59 CO -0.07 0.23 -0.05 -0.70 0.00 0.00 0.00 174.94 174.35 2jxt s GLU 60 N 1.75 3.05 -0.34 2.79 2.56 -0.78 -4.97 118.70 122.75 2jxt s GLU 60 Ca 0.07 -0.53 -0.11 0.00 0.00 0.00 0.00 54.97 54.40 2jxt s GLU 60 Cb -0.16 -2.70 -0.00 0.00 2.00 0.00 0.00 34.13 33.26 2jxt s GLU 60 CO 0.11 0.54 0.21 -2.00 -0.56 0.00 0.00 175.26 173.55 2jxt s GLU 61 N -0.47 3.26 0.37 4.30 -6.30 -1.26 -0.45 118.70 118.14 2jxt s GLU 61 Ca 0.07 -0.79 0.04 0.00 -2.50 0.00 0.00 54.97 51.79 2jxt s GLU 61 Cb -0.12 -3.71 -0.05 0.00 0.00 0.00 0.00 34.13 30.24 2jxt s GLU 61 CO 0.02 -0.51 0.06 0.96 0.02 0.00 0.00 175.26 175.81 2jxt s ILE 62 N 1.65 1.19 0.36 -3.70 -4.36 0.05 -5.02 121.20 111.36 2jxt s ILE 62 Ca 0.05 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.42 2jxt s ILE 62 Cb -0.18 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 2jxt s ILE 62 CO 0.08 0.00 0.59 -0.44 0.24 0.00 0.00 174.94 175.41 2jxt s SER 63 N -3.57 6.32 0.30 4.36 0.01 -1.26 -3.31 113.70 116.56 2jxt s SER 63 Ca 0.32 0.60 0.06 0.00 1.31 0.00 0.00 55.95 58.23 2jxt s SER 63 Cb 0.07 -2.10 0.74 0.00 0.21 0.00 0.00 66.02 64.95 2jxt s SER 63 CO 0.15 -0.33 1.78 -0.65 0.41 0.00 0.00 173.24 174.60 2jxt h PRO 64 N 0.86 0.74 -0.28 12.44 0.11 -1.95 -0.77 132.00 143.15 2jxt h PRO 64 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2jxt h PRO 64 Cb 1.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2jxt h PRO 64 CO 0.62 0.49 0.00 -0.85 -0.21 0.00 0.00 178.00 178.06 2jxt n GLU 65 N -4.76 1.68 -0.29 1.05 0.00 -1.26 -3.38 120.64 113.69 2jxt n GLU 65 Ca 0.23 -1.06 0.09 0.00 0.00 0.00 0.00 57.16 56.43 2jxt n GLU 65 Cb 0.57 -1.25 0.25 0.00 0.00 0.00 0.00 31.44 31.01 2jxt n GLU 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2jxt n GLU 66 N 0.35 2.74 -3.02 3.44 -0.58 -0.29 -5.00 120.64 118.27 2jxt n GLU 66 Ca 0.11 -2.40 -0.40 0.00 -0.42 0.00 0.00 57.16 54.05 2jxt n GLU 66 Cb 0.26 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.02 4.93 -0.13 2.62 1.01 -1.22 -4.95 120.40 121.65 2jxt s VAL 67 Ca 0.39 1.51 0.18 0.00 0.00 0.00 0.00 61.98 64.06 2jxt s VAL 67 Cb 0.20 -4.07 -0.22 0.00 0.00 0.00 0.00 36.38 32.29 2jxt s VAL 67 CO 0.27 0.29 0.49 0.00 0.00 0.00 0.00 175.10 176.15 2jxt n GLN 68 N 3.40 0.65 -2.37 2.72 1.13 -1.26 -4.91 117.38 116.75 2jxt n GLN 68 Ca -0.02 0.07 -0.42 0.00 -1.94 0.00 0.00 57.00 54.69 2jxt n GLN 68 Cb 0.51 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 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 -5.46 6.99 0.18 1.08 -1.08 -1.26 -4.96 116.67 112.16 2jxt s ASP 69 Ca -0.06 1.96 -0.09 0.00 -0.52 0.00 0.00 52.55 53.83 2jxt s ASP 69 Cb 0.09 -2.56 0.08 0.00 -1.46 0.00 0.00 42.92 39.06 2jxt s ASP 69 CO 0.84 -0.61 1.66 1.55 0.52 0.00 0.00 175.17 179.13 2jxt h PRO 70 N 7.44 1.08 -0.05 4.34 0.13 -1.99 -2.04 132.00 140.92 2jxt h PRO 70 Ca -0.37 -0.32 -0.01 0.00 -0.87 0.00 0.00 66.00 64.43 2jxt h PRO 70 Cb 1.18 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jxt h PRO 70 CO 0.87 1.03 -0.02 0.28 -0.23 0.00 0.00 178.00 179.93 2jxt h VAL 71 N 0.99 1.32 0.16 1.56 2.07 -1.98 -1.94 116.25 118.43 2jxt h VAL 71 Ca 0.19 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2jxt h VAL 71 Cb 0.50 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2jxt h VAL 71 CO 0.02 0.27 -0.08 0.58 0.02 0.00 0.00 177.57 178.39 2jxt h VAL 72 N -0.29 0.84 -1.00 2.57 2.07 -1.89 -0.88 116.25 117.68 2jxt h VAL 72 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 2jxt h VAL 72 Cb 0.44 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 2jxt h VAL 72 CO 0.01 0.00 0.64 0.50 0.02 0.00 0.00 177.57 178.74 2jxt h LYS 73 N -0.21 1.10 -0.41 1.57 3.64 -1.40 -1.68 116.57 119.18 2jxt h LYS 73 Ca -0.02 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 2jxt h LYS 73 Cb 0.16 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2jxt h LYS 73 CO 0.03 0.73 -0.02 0.00 -2.27 0.00 0.00 179.45 177.92 2jxt h ALA 74 N 1.47 0.56 0.00 5.00 0.00 -1.14 -2.16 119.26 122.99 2jxt h ALA 74 Ca 0.44 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jxt h ALA 74 Cb 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jxt h ALA 74 CO -0.19 0.36 -0.11 1.25 0.00 0.00 0.00 179.25 180.57 2jxt h LEU 75 N 0.57 0.00 0.00 0.00 6.46 -0.28 -2.81 115.31 119.25 2jxt h LEU 75 Ca 0.11 0.00 -0.08 0.00 -0.12 0.00 0.00 57.88 57.79 2jxt h LEU 75 Cb 0.51 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2jxt h LEU 75 CO 0.03 0.11 -0.45 0.58 -0.62 0.00 0.00 178.44 178.08 2jxt h VAL 76 N 0.00 1.43 0.00 1.05 2.07 -1.25 -3.37 116.25 116.18 2jxt h VAL 76 Ca -0.00 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.28 2jxt h VAL 76 Cb 0.23 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2jxt h VAL 76 CO 0.01 0.48 0.00 1.56 0.02 0.00 0.00 177.57 179.65 2jxt h GLN 77 N -1.00 0.00 0.00 1.57 4.20 -1.24 -2.15 115.11 116.49 2jxt h GLN 77 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2jxt h GLN 77 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2jxt h GLN 77 CO -0.07 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 180.98 2jxt n ARG 78 N -2.98 0.16 -0.02 1.46 1.85 -1.07 -1.80 116.66 114.26 2jxt n ARG 78 Ca -0.03 0.52 0.01 0.00 -1.00 0.00 0.00 57.85 57.36 2jxt n ARG 78 Cb 0.07 -1.90 0.02 0.00 -1.05 0.00 0.00 32.46 29.61 2jxt n ARG 78 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2jxt n LEU 79 N -2.22 1.71 -4.85 2.89 -0.00 -0.81 -5.05 117.00 108.67 2jxt n LEU 79 Ca 0.00 -1.48 -0.32 0.00 -0.00 0.00 0.00 56.01 54.21 2jxt n LEU 79 Cb 0.13 -0.03 -0.06 0.00 -0.00 0.00 0.00 43.42 43.46 2jxt n LEU 79 CO 0.14 0.41 0.44 -1.61 -0.00 0.00 0.00 177.39 176.77 2jxt s GLU 80 N -0.60 4.02 0.09 1.47 0.41 -0.74 -5.08 118.70 118.27 2jxt s GLU 80 Ca 0.04 0.70 -0.02 0.00 -0.41 0.00 0.00 54.97 55.29 2jxt s GLU 80 Cb 0.03 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.92 2jxt s GLU 80 CO 0.04 0.14 0.27 -1.01 -0.49 0.00 0.00 175.26 174.21 2jxt s HIS 81 N -2.00 3.50 -0.57 1.61 3.76 -1.26 -5.04 115.29 115.29 2jxt s HIS 81 Ca 0.55 0.36 -0.24 0.00 -0.15 0.00 0.00 55.06 55.58 2jxt s HIS 81 Cb -0.10 -1.85 0.05 0.00 1.11 0.00 0.00 32.58 31.79 2jxt s HIS 81 CO 0.17 0.53 0.96 -1.01 -0.85 0.00 0.00 174.74 174.54 2jxt s HIS 82 N -1.57 2.76 0.33 1.40 3.76 -1.26 -4.92 115.29 115.78 2jxt s HIS 82 Ca 0.37 -0.09 0.02 0.00 -0.15 0.00 0.00 55.06 55.21 2jxt s HIS 82 Cb -0.13 -4.13 0.60 0.00 1.11 0.00 0.00 32.58 30.03 2jxt s HIS 82 CO 0.27 -1.42 1.97 0.45 -0.85 0.00 0.00 174.74 175.15 2jxt h HIS 83 N 9.38 0.90 -3.40 1.40 3.86 -2.02 -3.39 115.15 121.88 2jxt h HIS 83 Ca -0.27 0.02 -0.65 0.00 -1.16 0.00 0.00 60.37 58.31 2jxt h HIS 83 Cb 1.07 -0.30 -0.21 0.00 1.06 0.00 0.00 27.41 29.04 2jxt h HIS 83 CO 0.93 0.52 -0.68 -3.38 0.86 0.00 0.00 177.93 176.18 2jxt s HIS 84 N -5.80 3.00 -0.29 2.45 -3.43 -1.26 -5.07 115.29 104.89 2jxt s HIS 84 Ca -0.11 -0.19 -0.28 0.00 -0.80 0.00 0.00 55.06 53.68 2jxt s HIS 84 Cb 0.19 -1.87 -0.02 0.00 -1.43 0.00 0.00 32.58 29.44 2jxt s HIS 84 CO 0.78 0.09 1.81 -1.58 -2.00 0.00 0.00 174.74 173.84 2jxt s HIS 85 N -0.05 1.79 0.00 0.38 2.46 -1.26 -5.23 115.29 113.38 2jxt s HIS 85 Ca 0.01 0.58 0.00 0.00 0.47 0.00 0.00 55.06 56.12 2jxt s HIS 85 Cb -0.13 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 2jxt s HIS 85 CO 0.03 -3.10 0.00 1.58 -2.47 0.00 0.00 174.74 170.77