#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 0.26 -0.07 2.12 -2.85 -1.26 -4.97 119.74 112.97 2jxt s LYS 2 Ca 0.00 0.92 -0.30 0.00 -1.00 0.00 0.00 55.97 55.59 2jxt s LYS 2 Cb 0.00 -1.69 -0.02 0.00 -2.06 0.00 0.00 37.83 34.06 2jxt s LYS 2 CO 0.00 -2.95 1.08 1.41 0.10 0.00 0.00 175.35 174.99 2jxt s MET 3 N -4.70 4.41 0.40 1.78 -2.45 -1.26 -5.02 119.30 112.45 2jxt s MET 3 Ca 0.66 1.51 -0.24 0.00 -1.25 0.00 0.00 55.69 56.37 2jxt s MET 3 Cb -0.22 -3.53 -0.09 0.00 1.25 0.00 0.00 34.83 32.25 2jxt s MET 3 CO 0.60 -0.34 1.10 0.21 1.05 0.00 0.00 175.02 177.64 2jxt s LYS 4 N 1.96 4.12 0.19 4.11 2.47 -1.26 -4.95 119.74 126.39 2jxt s LYS 4 Ca 0.52 1.64 -0.33 0.00 -1.56 0.00 0.00 55.97 56.24 2jxt s LYS 4 Cb -0.21 -2.60 -0.13 0.00 -1.46 0.00 0.00 37.83 33.43 2jxt s LYS 4 CO 0.21 -0.21 1.59 -2.37 0.16 0.00 0.00 175.35 174.73 2jxt n THR 5 N -0.00 0.21 -3.95 3.43 5.66 -1.26 -4.99 114.28 113.38 2jxt n THR 5 Ca 0.05 -0.05 -0.35 0.00 -3.05 0.00 0.00 64.05 60.65 2jxt n THR 5 Cb 0.48 -1.68 -0.06 0.00 -1.55 0.00 0.00 70.33 67.53 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 0.69 3.36 -0.14 1.09 1.02 0.73 -4.81 119.74 121.68 2jxt s LYS 6 Ca 0.75 -0.29 -0.11 0.00 0.02 0.00 0.00 55.97 56.34 2jxt s LYS 6 Cb -0.62 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 33.57 2jxt s LYS 6 CO 0.39 0.71 0.23 0.42 -0.92 0.00 0.00 175.35 176.18 2jxt s ILE 7 N -1.19 5.34 -0.15 2.17 1.09 -1.22 -0.24 121.20 127.01 2jxt s ILE 7 Ca 0.22 0.42 0.00 0.00 -1.10 0.00 0.00 60.65 60.20 2jxt s ILE 7 Cb -0.12 -3.55 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 2jxt s ILE 7 CO 0.12 0.48 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.92 2jxt s PHE 8 N -0.11 2.77 -0.54 3.97 0.08 0.40 -0.71 117.98 123.84 2jxt s PHE 8 Ca 0.15 -1.06 -0.23 0.00 0.12 0.00 0.00 56.93 55.91 2jxt s PHE 8 Cb -0.13 -1.88 0.05 0.00 -0.57 0.00 0.00 43.02 40.49 2jxt s PHE 8 CO 0.04 -0.48 0.88 0.50 -0.10 0.00 0.00 175.22 176.06 2jxt s ARG 9 N 0.80 3.28 -0.11 0.44 3.52 0.18 -2.06 118.95 124.99 2jxt s ARG 9 Ca -0.06 -0.40 -0.16 0.00 -0.13 0.00 0.00 55.73 54.98 2jxt s ARG 9 Cb -0.15 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.12 2jxt s ARG 9 CO -0.00 -1.44 0.38 0.08 -0.81 0.00 0.00 175.30 173.51 2jxt s VAL 10 N 3.68 5.21 -0.29 7.11 1.01 0.20 -0.91 120.40 136.42 2jxt s VAL 10 Ca 0.27 0.75 0.03 0.00 0.00 0.00 0.00 61.98 63.03 2jxt s VAL 10 Cb -0.14 -3.71 0.08 0.00 0.00 0.00 0.00 36.38 32.60 2jxt s VAL 10 CO 0.17 0.40 -0.04 -0.75 0.00 0.00 0.00 175.10 174.89 2jxt s LYS 11 N 0.21 1.82 0.00 2.72 2.47 0.12 -0.96 119.74 126.12 2jxt s LYS 11 Ca 0.21 -1.48 0.00 0.00 -1.56 0.00 0.00 55.97 53.14 2jxt s LYS 11 Cb -0.14 -2.93 0.00 0.00 -1.46 0.00 0.00 37.83 33.30 2jxt s LYS 11 CO 0.08 -0.72 0.00 0.41 0.16 0.00 0.00 175.35 175.28 2jxt n GLY 12 N 4.41 3.35 2.93 5.54 0.00 -1.09 0.18 105.19 120.51 2jxt n GLY 12 Ca -0.07 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 0.62 0.17 -0.09 1.61 1.02 -0.23 -0.46 119.74 122.37 2jxt s LYS 13 Ca 0.00 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 55.73 2jxt s LYS 13 Cb 0.00 0.06 -0.00 0.00 -0.52 0.00 0.00 37.83 37.37 2jxt s LYS 13 CO 0.00 -0.03 -0.23 -0.59 -0.92 0.00 0.00 175.35 173.58 2jxt s PHE 14 N -0.74 2.44 -0.86 3.18 -0.71 -0.54 -0.56 117.98 120.19 2jxt s PHE 14 Ca -0.08 -0.93 -0.25 0.00 -1.04 0.00 0.00 56.93 54.63 2jxt s PHE 14 Cb -0.05 -1.63 0.02 0.00 -1.21 0.00 0.00 43.02 40.15 2jxt s PHE 14 CO -0.00 -0.36 1.54 -1.17 -1.34 0.00 0.00 175.22 173.88 2jxt s LEU 15 N 0.24 3.31 -0.15 -1.99 1.98 0.28 -1.80 118.68 120.56 2jxt s LEU 15 Ca -0.15 -0.78 0.01 0.00 -2.89 0.00 0.00 54.13 50.31 2jxt s LEU 15 Cb -0.17 -2.56 -0.00 0.00 0.66 0.00 0.00 46.19 44.12 2jxt s LEU 15 CO 0.07 -1.93 -0.16 -0.32 -1.89 0.00 0.00 176.35 172.12 2jxt s MET 16 N 5.82 3.21 -1.37 1.98 1.75 0.75 -4.63 119.30 126.81 2jxt s MET 16 Ca 0.49 -0.76 -0.03 0.00 -1.25 0.00 0.00 55.69 54.15 2jxt s MET 16 Cb -0.05 -2.59 0.00 0.00 2.84 0.00 0.00 34.83 35.03 2jxt s MET 16 CO 0.03 0.05 0.37 0.41 -0.65 0.00 0.00 175.02 175.23 2jxt n GLY 17 N 3.96 -0.34 2.52 2.11 0.00 -1.26 -1.50 105.19 110.68 2jxt n GLY 17 Ca -0.19 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.72 -4.94 -4.33 1.61 8.00 -1.26 -5.00 116.55 108.91 2jxt n ASP 18 Ca -0.13 0.27 -0.26 0.00 0.71 0.00 0.00 54.79 55.38 2jxt n ASP 18 Cb 0.62 -3.41 -0.13 0.00 -0.02 0.00 0.00 41.12 38.18 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 -2.79 1.26 -0.50 -1.24 1.02 -0.56 -5.11 119.74 111.82 2jxt s LYS 19 Ca 0.00 -1.25 -0.18 0.00 0.02 0.00 0.00 55.97 54.56 2jxt s LYS 19 Cb 0.00 -1.63 0.06 0.00 -0.52 0.00 0.00 37.83 35.74 2jxt s LYS 19 CO 0.00 0.38 0.57 -0.51 -0.92 0.00 0.00 175.35 174.87 2jxt s LEU 20 N -1.97 5.12 -0.38 3.17 1.43 -1.26 -0.18 118.68 124.61 2jxt s LEU 20 Ca 0.10 -1.01 -0.16 0.00 -1.03 0.00 0.00 54.13 52.03 2jxt s LEU 20 Cb -0.10 -2.39 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2jxt s LEU 20 CO 0.05 -0.83 0.41 -1.10 0.23 0.00 0.00 176.35 175.11 2jxt s GLN 21 N 2.39 3.35 -0.03 1.70 1.11 -0.74 -4.90 119.66 122.54 2jxt s GLN 21 Ca 0.12 -0.56 -0.30 0.00 0.01 0.00 0.00 55.36 54.64 2jxt s GLN 21 Cb -0.20 -3.88 -0.05 0.00 -1.01 0.00 0.00 33.01 27.86 2jxt s GLN 21 CO 0.11 -0.69 1.50 -2.14 0.01 0.00 0.00 175.29 174.08 2jxt s PRO 22 N 2.11 4.23 0.33 2.91 0.02 -1.26 -1.46 135.00 141.88 2jxt s PRO 22 Ca 0.13 2.05 0.10 0.00 0.02 0.00 0.00 61.00 63.29 2jxt s PRO 22 Cb -0.17 -3.74 -0.06 0.00 0.02 0.00 0.00 34.50 30.55 2jxt s PRO 22 CO 0.13 -0.71 -0.05 -0.59 -0.33 0.00 0.00 177.00 175.45 2jxt s PHE 23 N 3.14 2.48 -0.11 6.54 -0.71 0.39 -4.97 117.98 124.74 2jxt s PHE 23 Ca 0.67 -0.43 -0.02 0.00 -1.04 0.00 0.00 56.93 56.11 2jxt s PHE 23 Cb -0.32 -1.38 0.04 0.00 -1.21 0.00 0.00 43.02 40.15 2jxt s PHE 23 CO 0.27 0.55 0.04 0.99 -1.34 0.00 0.00 175.22 175.72 2jxt s THR 24 N -2.54 0.23 0.16 -4.49 2.01 -1.26 -2.69 115.64 107.06 2jxt s THR 24 Ca 0.33 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.41 2jxt s THR 24 Cb -0.00 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 2jxt s THR 24 CO 0.18 0.05 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.43 2jxt s LYS 25 N 2.02 1.29 -0.09 4.92 -0.14 -0.13 -4.98 119.74 122.63 2jxt s LYS 25 Ca 0.03 -1.39 -0.00 0.00 -1.36 0.00 0.00 55.97 53.25 2jxt s LYS 25 Cb -0.14 -1.42 0.02 0.00 -1.68 0.00 0.00 37.83 34.62 2jxt s LYS 25 CO -0.06 0.30 -0.05 -1.21 -0.76 0.00 0.00 175.35 173.57 2jxt s GLU 26 N -2.64 1.11 0.03 1.68 2.02 -1.26 0.62 118.70 120.26 2jxt s GLU 26 Ca 0.15 -0.11 0.00 0.00 0.02 0.00 0.00 54.97 55.03 2jxt s GLU 26 Cb -0.07 -1.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 2jxt s GLU 26 CO 0.07 -0.24 -0.04 -0.48 0.02 0.00 0.00 175.26 174.59 2jxt s LEU 27 N 1.64 2.27 0.03 1.80 2.34 -0.87 -4.78 118.68 121.10 2jxt s LEU 27 Ca 0.02 -0.55 -0.22 0.00 0.06 0.00 0.00 54.13 53.44 2jxt s LEU 27 Cb -0.13 0.07 -0.06 0.00 -0.56 0.00 0.00 46.19 45.51 2jxt s LEU 27 CO -0.05 -0.31 0.64 0.54 -1.06 0.00 0.00 176.35 176.11 2jxt s ASN 28 N -1.61 7.07 0.26 1.48 4.22 -1.26 -0.45 114.94 124.64 2jxt s ASN 28 Ca -0.13 1.27 -0.10 0.00 -2.14 0.00 0.00 52.86 51.77 2jxt s ASN 28 Cb -0.08 -2.40 0.04 0.00 1.28 0.00 0.00 41.25 40.09 2jxt s ASN 28 CO -0.02 0.11 0.52 0.00 -2.04 0.00 0.00 177.10 175.67 2jxt n ALA 29 N 2.53 -1.17 -0.13 3.54 0.00 0.67 -4.95 120.51 121.01 2jxt n ALA 29 Ca -0.06 -0.82 -0.28 0.00 0.00 0.00 0.00 53.44 52.28 2jxt n ALA 29 Cb 0.51 0.65 -0.10 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.35 1.53 -4.13 0.00 -0.00 -1.26 -0.20 119.36 114.96 2jxt n ILE 30 Ca -0.06 -0.30 -0.14 0.00 -0.00 0.00 0.00 62.75 62.25 2jxt n ILE 30 Cb 0.39 -1.91 -0.06 0.00 -0.00 0.00 0.00 39.64 38.05 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 -2.47 1.68 0.26 0.38 1.70 -1.26 -4.76 118.95 114.47 2jxt s ARG 31 Ca -0.36 -1.68 -0.02 0.00 -0.47 0.00 0.00 55.73 53.19 2jxt s ARG 31 Cb 0.13 0.40 0.45 0.00 -0.57 0.00 0.00 34.95 35.35 2jxt s ARG 31 CO 0.52 -0.66 1.82 0.93 -1.08 0.00 0.00 175.30 176.83 2jxt h GLU 32 N 2.24 0.86 -0.51 3.89 3.07 -2.01 -0.17 114.58 121.95 2jxt h GLU 32 Ca -0.29 -0.05 0.15 0.00 -0.50 0.00 0.00 59.36 58.67 2jxt h GLU 32 Cb 1.24 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.94 2jxt h GLU 32 CO 0.41 0.57 0.44 0.93 -1.40 0.00 0.00 179.01 179.96 2jxt h GLU 33 N 0.89 0.00 -0.01 2.33 3.07 -2.03 -0.38 114.58 118.44 2jxt h GLU 33 Ca 0.43 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.19 2jxt h GLU 33 Cb 0.39 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.30 2jxt h GLU 33 CO -0.25 0.00 -0.38 0.93 -1.40 0.00 0.00 179.01 177.91 2jxt h GLU 34 N 0.00 0.28 -0.64 2.33 4.39 -1.44 -3.38 114.58 116.14 2jxt h GLU 34 Ca 0.24 -0.29 0.11 0.00 0.34 0.00 0.00 59.36 59.77 2jxt h GLU 34 Cb 1.12 0.08 -0.12 0.00 -0.10 0.00 0.00 28.75 29.73 2jxt h GLU 34 CO -0.00 0.98 -0.36 0.82 -1.16 0.00 0.00 179.01 179.28 2jxt h ILE 35 N -0.30 0.13 0.16 3.13 2.04 -0.90 -1.08 117.51 120.69 2jxt h ILE 35 Ca -0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2jxt h ILE 35 Cb 1.10 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2jxt h ILE 35 CO 0.08 0.00 -0.52 1.88 0.00 0.00 0.00 178.15 179.58 2jxt h TYR 36 N -0.16 -1.51 -0.93 1.37 -1.99 -1.72 -0.84 116.97 111.20 2jxt h TYR 36 Ca 0.23 0.04 0.00 0.00 2.00 0.00 0.00 58.73 61.00 2jxt h TYR 36 Cb 0.56 0.64 -0.05 0.00 2.00 0.00 0.00 36.73 39.88 2jxt h TYR 36 CO -0.68 -0.60 0.59 0.93 -0.00 0.00 0.00 178.16 178.40 2jxt h GLU 37 N -0.77 1.24 -0.40 4.88 5.08 -1.61 -0.66 114.58 122.35 2jxt h GLU 37 Ca -0.01 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2jxt h GLU 37 Cb 0.76 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 2jxt h GLU 37 CO -0.26 0.84 0.12 0.00 -1.00 0.00 0.00 179.01 178.71 2jxt h ARG 38 N 1.27 0.63 -0.35 2.33 2.47 -0.94 -0.19 114.38 119.60 2jxt h ARG 38 Ca 0.34 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 58.88 2jxt h ARG 38 Cb -0.11 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 2jxt h ARG 38 CO -0.07 0.63 0.06 -0.07 0.56 0.00 0.00 179.97 181.08 2jxt h LEU 39 N 0.51 0.56 -1.97 3.04 3.38 -0.90 -0.91 115.31 119.02 2jxt h LEU 39 Ca 0.13 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2jxt h LEU 39 Cb 0.27 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2jxt h LEU 39 CO -0.00 0.68 0.18 1.88 0.09 0.00 0.00 178.44 181.26 2jxt h TYR 40 N 0.42 0.03 0.07 1.13 0.05 -0.96 0.71 116.97 118.42 2jxt h TYR 40 Ca 0.11 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 2jxt h TYR 40 Cb 0.36 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2jxt h TYR 40 CO 0.02 0.02 -0.03 1.03 -1.05 0.00 0.00 178.16 178.15 2jxt h SER 41 N 0.03 -0.08 0.88 3.88 0.87 -0.51 -2.22 113.55 116.40 2jxt h SER 41 Ca 0.12 -0.44 -0.04 0.00 -1.23 0.00 0.00 61.79 60.19 2jxt h SER 41 Cb 0.43 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.42 2jxt h SER 41 CO -0.01 0.43 -0.42 -0.08 -0.53 0.00 0.00 176.83 176.22 2jxt h GLU 42 N -0.61 -1.13 -1.00 2.24 4.81 -0.38 -0.19 114.58 118.32 2jxt h GLU 42 Ca -0.01 0.08 0.12 0.00 -0.13 0.00 0.00 59.36 59.42 2jxt h GLU 42 Cb 0.52 0.26 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 2jxt h GLU 42 CO 0.02 -0.75 0.63 0.74 -0.73 0.00 0.00 179.01 178.91 2jxt h PHE 43 N -1.29 1.14 -0.19 0.92 0.04 -1.05 0.10 116.94 116.60 2jxt h PHE 43 Ca -0.12 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 2jxt h PHE 43 Cb 0.90 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 2jxt h PHE 43 CO -0.00 0.45 -0.17 0.78 -0.60 0.00 0.00 178.31 178.77 2jxt h GLY 44 N 0.99 0.35 0.00 -1.45 0.00 -1.30 0.24 103.07 101.90 2jxt h GLY 44 Ca 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2jxt h GLY 44 CO -0.26 0.22 -0.03 1.76 0.00 0.00 0.00 176.54 178.22 2jxt h SER 45 N 0.30 0.00 0.31 0.19 0.02 0.90 -2.94 113.55 112.33 2jxt h SER 45 Ca 0.06 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.76 2jxt h SER 45 Cb 0.48 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.03 2jxt h SER 45 CO 0.03 0.50 -1.01 0.07 -1.14 0.00 0.00 176.83 175.28 2jxt h LYS 46 N -0.96 0.45 -0.01 3.45 2.10 -1.02 -3.36 116.57 117.22 2jxt h LYS 46 Ca 0.00 -0.52 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2jxt h LYS 46 Cb 0.03 0.15 0.00 0.00 -0.90 0.00 0.00 32.23 31.52 2jxt h LYS 46 CO 0.00 1.17 -0.02 1.58 -2.00 0.00 0.00 179.45 180.18 2jxt n HIS 47 N -3.74 0.00 -1.97 0.07 -0.00 -0.45 -5.00 115.22 104.14 2jxt n HIS 47 Ca -0.08 0.00 -0.19 0.00 0.46 0.00 0.00 57.72 57.91 2jxt n HIS 47 Cb 0.87 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.70 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 0.13 -1.46 -2.98 1.57 1.74 0.72 -4.91 116.66 111.47 2jxt n ARG 48 Ca 0.03 1.07 -0.41 0.00 -0.77 0.00 0.00 57.85 57.76 2jxt n ARG 48 Cb 0.11 -5.52 -0.05 0.00 -1.02 0.00 0.00 32.46 25.98 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 -2.85 4.91 0.46 1.55 1.01 -0.39 -4.85 120.40 120.23 2jxt s VAL 49 Ca 0.00 1.41 -0.23 0.00 0.00 0.00 0.00 61.98 63.16 2jxt s VAL 49 Cb 0.00 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 32.26 2jxt s VAL 49 CO 0.00 -0.01 1.16 -2.16 0.00 0.00 0.00 175.10 174.09 2jxt s PRO 50 N 2.54 3.75 0.36 2.72 0.04 -1.26 -3.07 135.00 140.08 2jxt s PRO 50 Ca 0.32 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.18 2jxt s PRO 50 Cb -0.16 -2.40 0.74 0.00 0.04 0.00 0.00 34.50 32.73 2jxt s PRO 50 CO 0.09 -0.56 1.96 0.07 0.04 0.00 0.00 177.00 178.60 2jxt h ARG 51 N 2.03 0.73 0.00 4.56 0.11 -1.94 -1.23 114.38 118.64 2jxt h ARG 51 Ca -0.49 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 59.54 2jxt h ARG 51 Cb 1.25 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.16 2jxt h ARG 51 CO 0.60 0.48 0.00 0.45 0.10 0.00 0.00 179.97 181.60 2jxt n SER 52 N -4.48 0.00 -0.01 0.08 2.88 -1.26 -1.96 113.62 108.87 2jxt n SER 52 Ca 0.10 0.47 0.09 0.00 -1.33 0.00 0.00 58.87 58.21 2jxt n SER 52 Cb 0.22 -0.49 -0.13 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.49 0.60 -2.79 -1.46 4.76 -0.47 -4.96 118.16 112.35 2jxt n LYS 53 Ca 0.03 -0.15 -0.42 0.00 -2.87 0.00 0.00 58.31 54.91 2jxt n LYS 53 Cb 0.14 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 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 -3.18 4.89 -0.18 -0.18 1.01 -0.83 -0.56 120.40 121.37 2jxt s VAL 54 Ca -0.05 1.89 0.01 0.00 0.00 0.00 0.00 61.98 63.82 2jxt s VAL 54 Cb 0.11 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.28 2jxt s VAL 54 CO 0.73 0.13 -0.13 -0.75 0.00 0.00 0.00 175.10 175.09 2jxt s LYS 55 N 1.33 2.21 -0.53 2.72 2.47 0.27 -4.99 119.74 123.23 2jxt s LYS 55 Ca 0.47 -0.74 -0.23 0.00 -1.56 0.00 0.00 55.97 53.91 2jxt s LYS 55 Cb -0.19 -2.32 0.04 0.00 -1.46 0.00 0.00 37.83 33.91 2jxt s LYS 55 CO 0.22 -0.34 0.85 0.42 0.16 0.00 0.00 175.35 176.66 2jxt s ILE 56 N 1.42 4.53 0.01 5.43 1.01 -1.26 -1.06 121.20 131.27 2jxt s ILE 56 Ca 0.01 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.77 2jxt s ILE 56 Cb -0.15 -4.46 -0.26 0.00 0.01 0.00 0.00 42.46 37.60 2jxt s ILE 56 CO -0.09 -1.01 0.88 -0.33 0.00 0.00 0.00 174.94 174.39 2jxt h GLU 57 N 9.21 0.16 -3.14 2.79 4.39 -1.85 -3.48 114.58 122.66 2jxt h GLU 57 Ca -0.26 -0.28 -0.13 0.00 0.34 0.00 0.00 59.36 59.03 2jxt h GLU 57 Cb 1.08 0.10 -0.21 0.00 -0.10 0.00 0.00 28.75 29.63 2jxt h GLU 57 CO 1.05 0.99 -0.33 -2.00 -1.16 0.00 0.00 179.01 177.55 2jxt s GLU 58 N -2.63 0.59 -0.03 2.33 2.12 0.13 -4.99 118.70 116.21 2jxt s GLU 58 Ca -0.07 -0.16 0.02 0.00 0.36 0.00 0.00 54.97 55.12 2jxt s GLU 58 Cb 0.08 0.26 0.01 0.00 0.26 0.00 0.00 34.13 34.74 2jxt s GLU 58 CO 0.84 -0.15 -0.06 0.42 -0.54 0.00 0.00 175.26 175.77 2jxt s ILE 59 N -1.15 0.62 -0.05 -3.70 1.01 -1.26 -0.70 121.20 115.97 2jxt s ILE 59 Ca -0.12 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.36 2jxt s ILE 59 Cb -0.05 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.81 2jxt s ILE 59 CO 0.03 0.22 -0.21 -1.61 0.00 0.00 0.00 174.94 173.38 2jxt s GLU 60 N 0.54 2.07 -0.30 2.79 2.02 -0.08 -4.98 118.70 120.75 2jxt s GLU 60 Ca -0.08 -0.74 -0.13 0.00 0.02 0.00 0.00 54.97 54.04 2jxt s GLU 60 Cb -0.11 -1.80 -0.04 0.00 0.10 0.00 0.00 34.13 32.29 2jxt s GLU 60 CO 0.00 0.32 0.28 -2.00 0.02 0.00 0.00 175.26 173.88 2jxt s GLU 61 N -0.10 3.84 0.34 1.61 2.12 -1.26 0.47 118.70 125.72 2jxt s GLU 61 Ca -0.02 -0.28 0.05 0.00 0.36 0.00 0.00 54.97 55.08 2jxt s GLU 61 Cb -0.12 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 30.50 2jxt s GLU 61 CO 0.02 -0.30 0.02 0.96 -0.54 0.00 0.00 175.26 175.42 2jxt s ILE 62 N 1.89 1.52 0.16 -3.70 -4.36 0.12 -4.97 121.20 111.85 2jxt s ILE 62 Ca 0.10 -2.03 -0.26 0.00 -0.26 0.00 0.00 60.65 58.20 2jxt s ILE 62 Cb -0.16 -2.78 -0.08 0.00 1.25 0.00 0.00 42.46 40.69 2jxt s ILE 62 CO 0.11 -0.06 0.81 -0.44 0.24 0.00 0.00 174.94 175.59 2jxt s SER 63 N -3.54 7.41 0.47 4.36 0.01 -1.26 -3.40 113.70 117.74 2jxt s SER 63 Ca 0.35 1.67 0.20 0.00 1.31 0.00 0.00 55.95 59.47 2jxt s SER 63 Cb 0.08 -2.52 1.18 0.00 0.21 0.00 0.00 66.02 64.98 2jxt s SER 63 CO 0.16 0.16 1.94 1.55 0.41 0.00 0.00 173.24 177.46 2jxt h PRO 64 N 4.54 0.25 0.00 12.44 0.13 -1.91 -0.89 132.00 146.57 2jxt h PRO 64 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jxt h PRO 64 Cb 1.21 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2jxt h PRO 64 CO 0.67 0.17 0.00 -0.85 -0.23 0.00 0.00 178.00 177.76 2jxt n GLU 65 N -4.44 0.41 -0.05 0.86 0.28 -1.26 -3.36 120.64 113.09 2jxt n GLU 65 Ca 0.13 0.03 0.03 0.00 -0.16 0.00 0.00 57.16 57.19 2jxt n GLU 65 Cb 0.57 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.99 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 -1.27 2.68 -2.43 3.44 -0.58 -0.34 -5.05 120.64 117.08 2jxt n GLU 66 Ca 0.13 -1.80 -0.40 0.00 -0.42 0.00 0.00 57.16 54.67 2jxt n GLU 66 Cb 0.20 -1.15 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.39 3.46 -0.00 2.62 1.01 -1.21 -4.96 120.40 119.93 2jxt s VAL 67 Ca 0.10 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.58 2jxt s VAL 67 Cb 0.07 -3.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.32 2jxt s VAL 67 CO 0.03 0.32 0.82 1.56 0.00 0.00 0.00 175.10 177.83 2jxt h GLN 68 N 4.07 0.04 -6.37 2.72 1.08 -1.95 -3.46 115.11 111.24 2jxt h GLN 68 Ca -0.46 -0.08 -0.54 0.00 -1.45 0.00 0.00 58.65 56.12 2jxt h GLN 68 Cb 1.21 0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2jxt h GLN 68 CO 0.68 0.73 1.03 0.34 -0.95 0.00 0.00 178.83 180.67 2jxt s ASP 69 N -6.40 6.64 0.19 1.46 -1.08 -1.26 -4.92 116.67 111.29 2jxt s ASP 69 Ca -0.05 2.38 -0.05 0.00 -0.52 0.00 0.00 52.55 54.31 2jxt s ASP 69 Cb 0.08 -2.55 0.10 0.00 -1.46 0.00 0.00 42.92 39.09 2jxt s ASP 69 CO 0.82 -0.90 1.51 1.55 0.52 0.00 0.00 175.17 178.68 2jxt h PRO 70 N 8.88 0.64 0.21 4.34 0.13 -1.97 -2.30 132.00 141.94 2jxt h PRO 70 Ca -0.41 -0.38 -0.01 0.00 -0.87 0.00 0.00 66.00 64.33 2jxt h PRO 70 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jxt h PRO 70 CO 0.94 0.99 -0.10 0.28 -0.23 0.00 0.00 178.00 179.87 2jxt h VAL 71 N 0.51 0.86 -0.18 1.56 2.07 -1.97 -1.71 116.25 117.38 2jxt h VAL 71 Ca 0.02 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 2jxt h VAL 71 Cb 1.04 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 2jxt h VAL 71 CO 0.10 0.11 -0.06 0.58 0.02 0.00 0.00 177.57 178.32 2jxt h VAL 72 N -0.53 1.30 -0.80 2.57 2.07 -1.87 -1.87 116.25 117.11 2jxt h VAL 72 Ca -0.03 -1.06 0.05 0.00 0.82 0.00 0.00 66.70 66.48 2jxt h VAL 72 Cb 0.40 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2jxt h VAL 72 CO 0.05 0.32 0.49 0.50 0.02 0.00 0.00 177.57 178.95 2jxt h LYS 73 N 0.07 0.88 -0.34 1.57 3.64 -1.45 -0.91 116.57 120.02 2jxt h LYS 73 Ca 0.04 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.26 2jxt h LYS 73 Cb 0.52 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2jxt h LYS 73 CO 0.02 0.58 -0.23 0.00 -2.27 0.00 0.00 179.45 177.56 2jxt h ALA 74 N 1.38 0.96 -0.86 5.00 0.00 -1.30 0.56 119.26 125.01 2jxt h ALA 74 Ca 0.35 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jxt h ALA 74 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2jxt h ALA 74 CO -0.16 0.60 0.42 1.25 0.00 0.00 0.00 179.25 181.36 2jxt h LEU 75 N 0.59 1.11 0.05 0.00 6.46 -0.40 -2.97 115.31 120.15 2jxt h LEU 75 Ca 0.08 -0.13 -0.18 0.00 -0.12 0.00 0.00 57.88 57.54 2jxt h LEU 75 Cb 0.70 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.34 2jxt h LEU 75 CO 0.05 0.93 -0.91 0.58 -0.62 0.00 0.00 178.44 178.48 2jxt h VAL 76 N 1.22 1.27 0.00 1.05 2.07 -1.07 -3.35 116.25 117.43 2jxt h VAL 76 Ca 0.30 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2jxt h VAL 76 Cb 0.11 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2jxt h VAL 76 CO -0.04 0.57 0.00 0.00 0.02 0.00 0.00 177.57 178.12 2jxt n GLN 77 N -4.28 0.07 0.16 1.57 6.02 0.18 -0.82 117.38 120.27 2jxt n GLN 77 Ca -0.21 0.52 0.08 0.00 -0.01 0.00 0.00 57.00 57.38 2jxt n GLN 77 Cb 0.71 -1.71 0.07 0.00 1.02 0.00 0.00 30.24 30.33 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 -1.66 -3.29 114.38 108.45 2jxt h ARG 78 Ca 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 2jxt h ARG 78 Cb 0.06 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.11 2jxt h ARG 78 CO 0.00 0.17 -1.94 1.47 0.10 0.00 0.00 179.97 179.78 2jxt n LEU 79 N -3.03 0.20 -4.74 0.08 -0.00 -0.00 -4.94 117.00 104.57 2jxt n LEU 79 Ca 0.01 0.09 -0.42 0.00 -0.00 0.00 0.00 56.01 55.69 2jxt n LEU 79 Cb 0.62 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 44.17 2jxt n LEU 79 CO 0.38 0.15 1.13 -1.61 -0.00 0.00 0.00 177.39 177.44 2jxt s GLU 80 N -3.13 4.26 0.00 1.47 0.41 -0.30 -4.92 118.70 116.49 2jxt s GLU 80 Ca -0.07 2.30 0.19 0.00 -0.41 0.00 0.00 54.97 56.98 2jxt s GLU 80 Cb 0.11 -3.13 0.66 0.00 -1.78 0.00 0.00 34.13 29.99 2jxt s GLU 80 CO 0.86 -0.46 1.49 0.72 -0.49 0.00 0.00 175.26 177.38 2jxt n HIS 81 N 2.81 0.27 -1.78 1.61 8.25 -1.26 -4.83 115.22 120.29 2jxt n HIS 81 Ca 0.09 -0.14 -0.32 0.00 -0.26 0.00 0.00 57.72 57.09 2jxt n HIS 81 Cb 0.40 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 2jxt n HIS 81 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jxt s HIS 82 N -1.73 1.36 -0.73 4.41 3.76 -1.26 -4.86 115.29 116.25 2jxt s HIS 82 Ca 0.31 1.27 -0.26 0.00 -0.15 0.00 0.00 55.06 56.23 2jxt s HIS 82 Cb 0.17 -3.78 -0.08 0.00 1.11 0.00 0.00 32.58 30.00 2jxt s HIS 82 CO 0.25 -2.20 2.19 -3.38 -0.85 0.00 0.00 174.74 170.75 2jxt s HIS 83 N 11.36 1.39 0.00 1.40 -3.43 -1.26 -4.49 115.29 120.26 2jxt s HIS 83 Ca 0.83 1.34 0.00 0.00 -0.80 0.00 0.00 55.06 56.43 2jxt s HIS 83 Cb -0.14 -3.74 0.00 0.00 -1.43 0.00 0.00 32.58 27.28 2jxt s HIS 83 CO 0.18 -1.95 0.00 0.72 -2.00 0.00 0.00 174.74 171.69 2jxt n HIS 84 N 15.85 0.00 -4.12 0.38 8.25 -1.26 -5.09 115.22 129.23 2jxt n HIS 84 Ca 0.38 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.74 2jxt n HIS 84 Cb 0.48 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.49 2jxt n HIS 84 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jxt s HIS 85 N -0.83 0.72 -2.01 4.41 -3.43 -1.26 -5.30 115.29 107.59 2jxt s HIS 85 Ca 0.00 -0.83 0.32 0.00 -0.80 0.00 0.00 55.06 53.75 2jxt s HIS 85 Cb 0.00 -0.44 1.90 0.00 -1.43 0.00 0.00 32.58 32.61 2jxt s HIS 85 CO 0.00 -0.19 2.22 1.58 -2.00 0.00 0.00 174.74 176.35