#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq n THR 2 N 0.00 0.81 -3.13 0.00 -2.24 -1.26 -4.81 114.28 103.65 1joq n THR 2 Ca 0.00 -0.91 0.03 0.00 -2.27 0.00 0.00 64.05 60.91 1joq n THR 2 Cb 0.00 0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1joq n THR 2 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1joq s SER 3 N -1.09 -1.24 -1.14 3.42 0.01 -1.26 -5.06 113.70 107.33 1joq s SER 3 Ca 0.34 -0.10 -0.06 0.00 1.31 0.00 0.00 55.95 57.45 1joq s SER 3 Cb 0.19 1.71 0.27 0.00 0.21 0.00 0.00 66.02 68.40 1joq s SER 3 CO 0.25 -0.20 1.55 0.41 0.41 0.00 0.00 173.24 175.66 1joq n THR 4 N 4.97 5.00 -3.64 1.44 -1.04 -1.26 -4.96 114.28 114.78 1joq n THR 4 Ca 0.07 -5.47 0.00 0.00 -2.04 0.00 0.00 64.05 56.62 1joq n THR 4 Cb 0.56 -2.20 0.00 0.00 -1.82 0.00 0.00 70.33 66.87 1joq n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1joq n LYS 5 N 2.22 2.46 0.00 -2.82 5.02 -1.26 -5.17 118.16 118.61 1joq n LYS 5 Ca 0.30 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1joq n LYS 5 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 1joq n LYS 5 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1joq n LYS 6 N 0.00 3.89 -2.19 1.97 4.81 -1.26 -5.13 118.16 120.25 1joq n LYS 6 Ca 0.00 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.17 1joq n LYS 6 Cb 0.00 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.17 1joq n LYS 6 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1joq s LEU 7 N 0.00 2.81 -0.13 3.14 1.43 -1.26 -5.07 118.68 119.60 1joq s LEU 7 Ca 0.00 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1joq s LEU 7 Cb 0.00 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.69 1joq s LEU 7 CO 0.00 -2.08 -0.18 -2.28 0.23 0.00 0.00 176.35 172.04 1joq s HIS 8 N -3.46 2.29 -0.12 0.29 5.65 -1.26 -5.12 115.29 113.56 1joq s HIS 8 Ca 0.67 -1.14 -0.11 0.00 0.25 0.00 0.00 55.06 54.72 1joq s HIS 8 Cb -0.07 -1.61 -0.05 0.00 -1.18 0.00 0.00 32.58 29.68 1joq s HIS 8 CO 0.48 -0.56 0.24 0.15 -0.65 0.00 0.00 174.74 174.40 1joq s LYS 9 N 0.98 3.91 0.36 2.88 1.02 -1.26 -4.33 119.74 123.29 1joq s LYS 9 Ca -0.05 0.04 0.04 0.00 0.02 0.00 0.00 55.97 56.01 1joq s LYS 9 Cb -0.15 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.80 1joq s LYS 9 CO -0.03 0.51 0.07 -1.21 -0.92 0.00 0.00 175.35 173.78 1joq s GLU 10 N -0.35 1.77 0.73 1.68 2.02 -0.97 -4.95 118.70 118.63 1joq s GLU 10 Ca 0.16 -2.02 -0.11 0.00 0.02 0.00 0.00 54.97 53.02 1joq s GLU 10 Cb -0.13 -0.87 0.03 0.00 0.10 0.00 0.00 34.13 33.26 1joq s GLU 10 CO 0.05 -0.27 1.09 -1.25 0.02 0.00 0.00 175.26 174.90 1joq s PRO 11 N -3.84 2.63 0.20 0.39 0.04 -1.26 -0.86 135.00 132.30 1joq s PRO 11 Ca 0.31 0.61 -0.21 0.00 0.04 0.00 0.00 61.00 61.75 1joq s PRO 11 Cb 0.07 -1.98 0.05 0.00 0.04 0.00 0.00 34.50 32.67 1joq s PRO 11 CO 0.15 -1.23 0.61 0.00 0.04 0.00 0.00 177.00 176.57 1joq s ALA 12 N -3.23 -1.32 0.03 8.56 0.00 -0.08 -4.35 121.76 121.36 1joq s ALA 12 Ca 0.59 0.09 0.07 0.00 0.00 0.00 0.00 51.96 52.71 1joq s ALA 12 Cb -0.13 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1joq s ALA 12 CO 0.53 -0.85 -0.21 0.99 0.00 0.00 0.00 175.76 176.22 1joq s THR 13 N -3.83 1.72 -0.64 0.00 2.01 -0.76 -4.50 115.64 109.64 1joq s THR 13 Ca 0.06 -1.13 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 1joq s THR 13 Cb -0.02 -1.47 0.07 0.00 0.01 0.00 0.00 72.50 71.09 1joq s THR 13 CO -0.05 0.30 0.92 -0.22 -0.69 0.00 0.00 174.62 174.88 1joq s LEU 14 N -0.99 4.51 -0.12 4.42 2.96 -1.26 -0.66 118.68 127.54 1joq s LEU 14 Ca 0.08 -0.99 -0.05 0.00 -0.22 0.00 0.00 54.13 52.95 1joq s LEU 14 Cb -0.09 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 1joq s LEU 14 CO 0.01 -1.36 0.02 0.40 -1.32 0.00 0.00 176.35 174.10 1joq h ILE 15 N 5.97 0.17 -1.00 6.68 2.04 -1.38 -3.48 117.51 126.50 1joq h ILE 15 Ca -0.29 -1.14 0.15 0.00 1.00 0.00 0.00 64.86 64.58 1joq h ILE 15 Cb 1.07 0.33 -0.22 0.00 -0.74 0.00 0.00 36.82 37.27 1joq h ILE 15 CO 1.16 0.06 -0.01 -0.75 0.00 0.00 0.00 178.15 178.61 1joq s LYS 16 N -1.80 0.40 0.59 2.37 2.20 -0.82 -5.02 119.74 117.66 1joq s LYS 16 Ca -0.06 0.84 -0.15 0.00 -0.36 0.00 0.00 55.97 56.24 1joq s LYS 16 Cb 0.00 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.77 1joq s LYS 16 CO 0.13 -0.30 1.04 0.00 -0.36 0.00 0.00 175.35 175.85 1joq s ALA 17 N 2.78 2.85 0.00 3.13 0.00 -1.26 -1.58 121.76 127.67 1joq s ALA 17 Ca 0.04 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1joq s ALA 17 Cb -0.11 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1joq s ALA 17 CO -0.17 -0.72 0.00 -0.89 0.00 0.00 0.00 175.76 173.98 1joq n ILE 18 N -2.17 0.00 -3.94 0.00 5.41 -0.94 -4.86 119.36 112.86 1joq n ILE 18 Ca 0.08 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.76 1joq n ILE 18 Cb 0.53 -0.93 -0.02 0.00 -0.71 0.00 0.00 39.64 38.51 1joq n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1joq n ASP 19 N -2.69 -0.44 0.00 4.38 9.92 -0.87 -4.92 116.55 121.93 1joq n ASP 19 Ca 0.00 -1.86 0.14 0.00 -0.53 0.00 0.00 54.79 52.54 1joq n ASP 19 Cb 0.47 0.90 0.75 0.00 -0.64 0.00 0.00 41.12 42.60 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1joq n GLY 20 N -0.26 -1.17 0.00 0.44 0.00 -1.26 -3.13 105.19 99.82 1joq n GLY 20 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1joq n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joq n ASP 21 N -1.23 1.22 -3.79 1.61 9.92 -1.26 -4.90 116.55 118.12 1joq n ASP 21 Ca 0.15 -1.59 -0.13 0.00 -0.53 0.00 0.00 54.79 52.70 1joq n ASP 21 Cb 0.20 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.56 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1joq s THR 22 N -0.59 -0.01 -0.28 -3.53 2.01 -1.18 -2.63 115.64 109.43 1joq s THR 22 Ca 0.00 0.04 -0.12 0.00 0.31 0.00 0.00 61.69 61.92 1joq s THR 22 Cb 0.00 -0.28 0.10 0.00 0.01 0.00 0.00 72.50 72.33 1joq s THR 22 CO 0.00 0.02 0.64 0.68 -0.69 0.00 0.00 174.62 175.26 1joq s VAL 23 N 0.41 -0.51 -0.32 3.82 -7.23 -0.99 -2.04 120.40 113.54 1joq s VAL 23 Ca -0.03 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.87 1joq s VAL 23 Cb -0.04 -0.95 0.01 0.00 0.56 0.00 0.00 36.38 35.95 1joq s VAL 23 CO -0.02 0.01 1.21 -0.54 -0.31 0.00 0.00 175.10 175.45 1joq s LYS 24 N 2.27 3.96 0.29 4.82 1.02 -0.61 -1.89 119.74 129.61 1joq s LYS 24 Ca -0.08 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.07 1joq s LYS 24 Cb -0.09 -3.83 -0.00 0.00 -0.52 0.00 0.00 37.83 33.39 1joq s LYS 24 CO -0.19 -1.05 0.01 1.28 -0.92 0.00 0.00 175.35 174.48 1joq n LEU 25 N 7.36 0.00 -4.06 3.17 4.77 -0.65 -1.03 117.00 126.55 1joq n LEU 25 Ca 0.14 -1.88 -0.32 0.00 -0.03 0.00 0.00 56.01 53.92 1joq n LEU 25 Cb 0.47 0.25 -0.15 0.00 -2.33 0.00 0.00 43.42 41.65 1joq n LEU 25 CO 0.62 -0.27 -0.47 -0.32 -1.33 0.00 0.00 177.39 175.62 1joq s MET 26 N -3.07 2.36 -0.08 3.23 1.75 0.16 -2.39 119.30 121.26 1joq s MET 26 Ca 0.01 -1.14 0.03 0.00 -1.25 0.00 0.00 55.69 53.35 1joq s MET 26 Cb 0.00 -2.73 -0.01 0.00 2.84 0.00 0.00 34.83 34.92 1joq s MET 26 CO 0.01 -0.47 -0.19 -0.47 -0.65 0.00 0.00 175.02 173.25 1joq s TYR 27 N 1.20 2.62 -1.42 4.11 5.04 -0.61 -1.84 117.35 126.46 1joq s TYR 27 Ca -0.04 -0.61 -0.13 0.00 -2.44 0.00 0.00 57.07 53.85 1joq s TYR 27 Cb -0.18 -1.69 0.11 0.00 0.35 0.00 0.00 41.96 40.55 1joq s TYR 27 CO -0.07 -0.15 0.61 1.63 -1.34 0.00 0.00 175.55 176.23 1joq n LYS 28 N 3.04 -3.31 -3.16 4.97 5.02 -1.26 -0.44 118.16 123.02 1joq n LYS 28 Ca -0.18 0.41 -0.14 0.00 -2.02 0.00 0.00 58.31 56.38 1joq n LYS 28 Cb 0.52 -5.13 0.07 0.00 -0.02 0.00 0.00 35.03 30.47 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 29 N -1.24 -0.16 3.18 0.72 0.00 -1.26 -5.02 105.19 101.40 1joq n GLY 29 Ca 0.03 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1joq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1joq s GLN 30 N -5.34 0.27 0.13 1.61 0.74 0.42 -5.14 119.66 112.35 1joq s GLN 30 Ca 0.15 0.91 -0.30 0.00 0.05 0.00 0.00 55.36 56.16 1joq s GLN 30 Cb -0.06 0.17 -0.07 0.00 1.10 0.00 0.00 33.01 34.15 1joq s GLN 30 CO 0.55 -0.25 1.22 -1.25 -0.55 0.00 0.00 175.29 175.01 1joq s PRO 31 N 2.39 4.45 0.07 1.67 0.04 -1.26 -1.58 135.00 140.78 1joq s PRO 31 Ca -0.02 1.85 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 1joq s PRO 31 Cb -0.12 -3.28 0.08 0.00 0.04 0.00 0.00 34.50 31.22 1joq s PRO 31 CO -0.11 -0.20 0.68 -1.64 0.04 0.00 0.00 177.00 175.77 1joq s MET 32 N 0.45 1.12 -0.29 4.56 -1.94 -1.00 -4.99 119.30 117.21 1joq s MET 32 Ca 0.57 -0.24 -0.16 0.00 -1.71 0.00 0.00 55.69 54.15 1joq s MET 32 Cb -0.32 0.52 -0.03 0.00 2.01 0.00 0.00 34.83 37.02 1joq s MET 32 CO 0.33 -0.46 0.41 0.99 -0.01 0.00 0.00 175.02 176.28 1joq s THR 33 N -2.91 5.13 0.33 2.05 2.01 -1.26 -1.64 115.64 119.34 1joq s THR 33 Ca -0.01 0.48 0.02 0.00 0.31 0.00 0.00 61.69 62.48 1joq s THR 33 Cb -0.01 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1joq s THR 33 CO -0.06 0.04 0.51 -0.36 -0.69 0.00 0.00 174.62 174.06 1joq s PHE 34 N 2.14 3.48 0.07 4.92 0.40 -0.79 -1.99 117.98 126.21 1joq s PHE 34 Ca 0.16 0.26 0.03 0.00 -0.60 0.00 0.00 56.93 56.77 1joq s PHE 34 Cb -0.16 -1.84 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1joq s PHE 34 CO 0.11 0.18 -0.08 0.50 0.70 0.00 0.00 175.22 176.62 1joq s ARG 35 N -4.25 0.69 0.06 0.44 6.06 -0.79 -2.36 118.95 118.80 1joq s ARG 35 Ca 0.39 -1.00 -0.30 0.00 -2.50 0.00 0.00 55.73 52.32 1joq s ARG 35 Cb -0.09 -0.36 -0.05 0.00 0.06 0.00 0.00 34.95 34.51 1joq s ARG 35 CO 0.35 0.05 1.02 -0.51 -2.50 0.00 0.00 175.30 173.70 1joq s LEU 36 N -2.14 4.42 0.32 -0.88 1.43 -1.08 -3.85 118.68 116.91 1joq s LEU 36 Ca -0.01 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.82 1joq s LEU 36 Cb -0.05 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 1joq s LEU 36 CO -0.01 -0.23 0.61 -0.76 0.23 0.00 0.00 176.35 176.19 1joq s LEU 37 N 0.59 4.00 -0.39 1.79 1.43 -1.26 -3.95 118.68 120.90 1joq s LEU 37 Ca 0.51 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 54.46 1joq s LEU 37 Cb -0.24 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.31 1joq s LEU 37 CO 0.29 -0.24 0.00 0.18 0.23 0.00 0.00 176.35 176.81 1joq n LEU 38 N -0.98 0.40 -3.98 1.79 4.77 -1.25 -4.92 117.00 112.83 1joq n LEU 38 Ca -0.00 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 55.97 1joq n LEU 38 Cb 0.54 -2.24 -0.07 0.00 -2.33 0.00 0.00 43.42 39.32 1joq n LEU 38 CO 0.48 -0.85 -0.04 0.68 -1.33 0.00 0.00 177.39 176.32 1joq s VAL 39 N -1.47 0.07 -0.21 4.08 -7.23 -1.25 -2.21 120.40 112.18 1joq s VAL 39 Ca 0.00 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 58.58 1joq s VAL 39 Cb 0.00 -1.86 0.06 0.00 0.56 0.00 0.00 36.38 35.14 1joq s VAL 39 CO 0.00 -0.31 0.54 -0.62 -0.31 0.00 0.00 175.10 174.40 1joq s ASP 40 N -2.98 -0.65 0.04 4.85 2.15 -0.23 -4.74 116.67 115.12 1joq s ASP 40 Ca 0.18 1.14 -0.15 0.00 0.43 0.00 0.00 52.55 54.15 1joq s ASP 40 Cb 0.04 1.08 -0.06 0.00 -0.30 0.00 0.00 42.92 43.68 1joq s ASP 40 CO 0.00 -0.20 0.46 0.42 -0.17 0.00 0.00 175.17 175.67 1joq s THR 41 N 0.95 4.96 -0.02 1.71 -4.23 -1.26 -2.44 115.64 115.31 1joq s THR 41 Ca -0.05 0.86 -0.20 0.00 -1.18 0.00 0.00 61.69 61.12 1joq s THR 41 Cb -0.05 -3.74 -0.33 0.00 1.34 0.00 0.00 72.50 69.72 1joq s THR 41 CO -0.08 0.49 0.94 1.55 -0.54 0.00 0.00 174.62 176.98 1joq h PRO 42 N 4.38 0.40 -0.87 3.99 0.13 -1.98 -3.26 132.00 134.79 1joq h PRO 42 Ca -0.51 -0.67 0.25 0.00 -0.87 0.00 0.00 66.00 64.21 1joq h PRO 42 Cb 1.21 0.25 -0.03 0.00 0.13 0.00 0.00 31.00 32.56 1joq h PRO 42 CO 0.63 1.32 0.83 1.49 -0.23 0.00 0.00 178.00 182.04 1joq h GLU 43 N -0.17 0.00 -2.67 0.86 4.81 -1.91 -1.67 114.58 113.83 1joq h GLU 43 Ca -0.18 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 58.26 1joq h GLU 43 Cb 1.84 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 30.99 1joq h GLU 43 CO 0.20 0.00 1.37 0.25 -0.73 0.00 0.00 179.01 180.10 1joq n THR 44 N -3.69 5.50 0.00 0.32 -2.24 -1.23 -4.76 114.28 108.18 1joq n THR 44 Ca 0.18 -5.44 0.00 0.00 -2.27 0.00 0.00 64.05 56.53 1joq n THR 44 Cb 1.12 -1.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1joq n LYS 45 N 1.20 0.00 -4.48 -0.78 4.76 -0.63 -4.95 118.16 113.29 1joq n LYS 45 Ca 0.43 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.54 1joq n LYS 45 Cb 0.29 -0.05 -0.10 0.00 -1.84 0.00 0.00 35.03 33.33 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1joq s HIS 46 N 0.00 2.96 -0.13 2.13 3.76 -1.26 -5.09 115.29 117.66 1joq s HIS 46 Ca 0.00 0.02 -0.29 0.00 -0.15 0.00 0.00 55.06 54.64 1joq s HIS 46 Cb 0.00 -1.67 -0.01 0.00 1.11 0.00 0.00 32.58 32.01 1joq s HIS 46 CO 0.00 0.38 0.98 -1.25 -0.85 0.00 0.00 174.74 174.01 1joq s PRO 47 N -1.19 4.38 -0.23 8.40 0.04 -1.26 -3.47 135.00 141.66 1joq s PRO 47 Ca 0.16 1.33 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 1joq s PRO 47 Cb -0.11 -3.56 0.00 0.00 0.04 0.00 0.00 34.50 30.87 1joq s PRO 47 CO 0.05 -0.36 0.02 1.17 0.04 0.00 0.00 177.00 177.93 1joq n LYS 48 N 5.23 -0.34 0.00 4.56 0.00 -1.26 -4.92 118.16 121.43 1joq n LYS 48 Ca 0.09 0.13 0.01 0.00 0.00 0.00 0.00 58.31 58.54 1joq n LYS 48 Cb 0.48 -3.68 0.00 0.00 0.00 0.00 0.00 35.03 31.83 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1joq n LYS 49 N -1.25 2.45 -1.05 1.64 0.00 -1.23 -5.12 118.16 113.62 1joq n LYS 49 Ca -0.03 -0.38 0.14 0.00 0.00 0.00 0.00 58.31 58.04 1joq n LYS 49 Cb 0.52 -0.87 -0.04 0.00 0.00 0.00 0.00 35.03 34.64 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 50 N 0.58 -2.12 3.64 3.14 0.00 -1.26 -4.99 105.19 104.18 1joq n GLY 50 Ca 0.01 -1.23 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 1joq n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joq s VAL 51 N -2.44 -0.04 -0.16 1.61 0.11 -1.26 -4.95 120.40 113.26 1joq s VAL 51 Ca 0.00 0.00 0.14 0.00 -2.93 0.00 0.00 61.98 59.19 1joq s VAL 51 Cb 0.00 -1.00 0.40 0.00 -1.53 0.00 0.00 36.38 34.25 1joq s VAL 51 CO 0.00 0.00 1.20 -1.84 -3.33 0.00 0.00 175.10 171.13 1joq n GLU 52 N 4.28 1.22 0.04 1.54 0.28 -1.26 -4.50 120.64 122.24 1joq n GLU 52 Ca -0.19 -2.94 -0.01 0.00 -0.16 0.00 0.00 57.16 53.86 1joq n GLU 52 Cb 0.58 -1.28 -0.00 0.00 1.43 0.00 0.00 31.44 32.17 1joq n GLU 52 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1joq n LYS 53 N -0.82 0.04 -2.68 3.44 3.00 -1.26 -4.92 118.16 114.97 1joq n LYS 53 Ca 0.16 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1joq n LYS 53 Cb 0.77 -0.57 0.05 0.00 0.00 0.00 0.00 35.03 35.28 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1joq n TYR 54 N -3.53 1.11 0.00 5.64 4.01 -1.26 -4.99 117.16 118.14 1joq n TYR 54 Ca -0.01 -1.95 0.00 0.00 -0.16 0.00 0.00 57.90 55.78 1joq n TYR 54 Cb 0.08 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 38.89 1joq n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 55 N -0.47 -2.61 3.29 2.72 0.00 -1.26 -3.63 105.19 103.23 1joq n GLY 55 Ca 0.07 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.90 1joq n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1joq n PRO 56 N -0.45 2.68 0.16 1.61 -0.04 -1.26 -4.08 135.00 133.62 1joq n PRO 56 Ca 0.00 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.64 1joq n PRO 56 Cb 0.00 -3.41 0.00 0.00 -0.04 0.00 0.00 33.50 30.05 1joq n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1joq n GLU 57 N 7.58 0.00 0.01 0.54 2.13 -1.24 -4.89 120.64 124.77 1joq n GLU 57 Ca 0.49 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 58.28 1joq n GLU 57 Cb 0.44 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.12 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1joq h ALA 58 N 0.00 -0.14 -0.64 4.31 0.00 -1.71 -1.35 119.26 119.73 1joq h ALA 58 Ca 0.00 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1joq h ALA 58 Cb 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.74 1joq h ALA 58 CO 0.00 -0.14 0.02 0.66 0.00 0.00 0.00 179.25 179.80 1joq h SER 59 N -1.03 -0.24 0.26 0.00 4.64 -1.85 0.30 113.55 115.63 1joq h SER 59 Ca -0.01 0.15 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 1joq h SER 59 Cb 0.20 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1joq h SER 59 CO 0.02 -0.11 -0.39 0.00 -0.87 0.00 0.00 176.83 175.49 1joq h ALA 60 N 1.58 1.20 0.58 5.18 0.00 -1.87 -1.93 119.26 124.00 1joq h ALA 60 Ca 0.34 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1joq h ALA 60 Cb 0.55 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1joq h ALA 60 CO -0.53 0.55 -0.34 0.35 0.00 0.00 0.00 179.25 179.27 1joq h PHE 61 N 0.15 -0.90 0.00 0.00 3.04 0.76 -2.06 116.94 117.92 1joq h PHE 61 Ca 0.02 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 61.91 1joq h PHE 61 Cb 0.75 0.32 -0.01 0.00 2.56 0.00 0.00 35.95 39.58 1joq h PHE 61 CO 0.01 -0.53 -0.20 1.15 -2.02 0.00 0.00 178.31 176.72 1joq h THR 62 N -0.87 0.81 0.68 4.41 2.02 -1.32 -1.66 112.91 116.98 1joq h THR 62 Ca -0.07 -0.78 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 1joq h THR 62 Cb 0.70 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1joq h THR 62 CO 0.08 0.19 -0.49 0.50 0.37 0.00 0.00 175.52 176.18 1joq h LYS 63 N 0.00 -1.07 -0.07 6.66 3.64 -0.66 -1.73 116.57 123.34 1joq h LYS 63 Ca -0.00 0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1joq h LYS 63 Cb 0.45 0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1joq h LYS 63 CO 0.03 -0.72 -0.38 0.87 -2.27 0.00 0.00 179.45 176.98 1joq h LYS 64 N -1.11 0.15 0.00 1.90 6.56 -1.37 -0.45 116.57 122.24 1joq h LYS 64 Ca -0.09 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1joq h LYS 64 Cb 0.92 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 1joq h LYS 64 CO 0.04 0.51 0.00 -0.12 -2.06 0.00 0.00 179.45 177.83 1joq n MET 65 N -4.06 0.00 0.22 3.15 1.56 -0.63 -1.33 117.12 116.02 1joq n MET 65 Ca -0.02 0.59 0.07 0.00 -0.27 0.00 0.00 57.70 58.07 1joq n MET 65 Cb 0.44 -1.44 0.49 0.00 2.15 0.00 0.00 33.22 34.86 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 1joq h VAL 66 N 0.00 0.89 -0.45 1.12 -1.51 -1.40 -1.20 116.25 113.71 1joq h VAL 66 Ca 0.00 -1.04 -0.00 0.00 -1.23 0.00 0.00 66.70 64.43 1joq h VAL 66 Cb 0.00 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.75 1joq h VAL 66 CO 0.00 0.26 0.27 -0.33 -1.23 0.00 0.00 177.57 176.54 1joq h GLU 67 N 0.00 0.60 0.00 5.19 4.39 -0.84 -2.36 114.58 121.56 1joq h GLU 67 Ca -0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 1joq h GLU 67 Cb 0.59 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1joq h GLU 67 CO 0.03 0.43 -1.39 0.09 -1.16 0.00 0.00 179.01 177.02 1joq n ASN 68 N -4.44 0.58 -4.50 1.42 3.02 -0.45 -4.90 115.26 105.99 1joq n ASN 68 Ca 0.04 -0.55 -0.48 0.00 -0.03 0.00 0.00 54.58 53.55 1joq n ASN 68 Cb 0.08 1.37 -0.06 0.00 -0.61 0.00 0.00 39.78 40.56 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq n ALA 69 N -1.82 1.31 0.30 5.41 0.00 -0.48 -4.77 120.51 120.47 1joq n ALA 69 Ca 0.01 -0.11 0.19 0.00 0.00 0.00 0.00 53.44 53.53 1joq n ALA 69 Cb 0.43 -2.67 0.91 0.00 0.00 0.00 0.00 19.45 18.12 1joq n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1joq h LYS 70 N 13.19 0.00 -3.28 0.00 1.57 -1.90 -3.41 116.57 122.73 1joq h LYS 70 Ca -0.32 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.20 1joq h LYS 70 Cb 1.29 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.28 1joq h LYS 70 CO 1.00 0.01 -0.62 0.15 -0.57 0.00 0.00 179.45 179.41 1joq s LYS 71 N -3.90 0.07 -0.09 3.15 3.01 -1.26 -5.05 119.74 115.67 1joq s LYS 71 Ca -0.02 0.36 0.04 0.00 -1.01 0.00 0.00 55.97 55.34 1joq s LYS 71 Cb 0.11 -0.20 0.00 0.00 -1.01 0.00 0.00 37.83 36.73 1joq s LYS 71 CO 0.49 -0.18 -0.21 0.42 0.51 0.00 0.00 175.35 176.38 1joq s ILE 72 N 1.24 1.82 0.06 2.17 1.01 -1.26 -2.97 121.20 123.27 1joq s ILE 72 Ca -0.08 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.72 1joq s ILE 72 Cb -0.12 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 1joq s ILE 72 CO -0.05 0.51 -0.12 -1.61 0.00 0.00 0.00 174.94 173.66 1joq s GLU 73 N 0.38 0.73 -0.15 2.79 8.01 -1.04 -0.90 118.70 128.53 1joq s GLU 73 Ca -0.17 -0.87 -0.01 0.00 0.01 0.00 0.00 54.97 53.93 1joq s GLU 73 Cb -0.17 -0.66 -0.01 0.00 -4.31 0.00 0.00 34.13 28.97 1joq s GLU 73 CO 0.07 0.14 -0.11 0.14 0.01 0.00 0.00 175.26 175.52 1joq s VAL 74 N -1.26 3.17 -0.50 2.63 -7.23 -0.04 -2.06 120.40 115.12 1joq s VAL 74 Ca -0.04 -0.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 1joq s VAL 74 Cb -0.10 -2.36 0.13 0.00 0.56 0.00 0.00 36.38 34.61 1joq s VAL 74 CO 0.02 0.51 0.25 -0.70 -0.31 0.00 0.00 175.10 174.86 1joq s GLU 75 N 0.53 1.91 1.06 4.82 2.12 -0.90 -2.29 118.70 125.95 1joq s GLU 75 Ca -0.07 -2.54 -0.14 0.00 0.36 0.00 0.00 54.97 52.57 1joq s GLU 75 Cb -0.15 -3.26 0.15 0.00 0.26 0.00 0.00 34.13 31.13 1joq s GLU 75 CO 0.04 -1.10 0.62 1.19 -0.54 0.00 0.00 175.26 175.46 1joq n PHE 76 N 3.20 -0.94 -2.45 5.30 3.72 -1.26 -1.55 117.46 123.48 1joq n PHE 76 Ca 0.05 0.13 -0.17 0.00 -0.05 0.00 0.00 57.45 57.41 1joq n PHE 76 Cb 0.33 -1.74 0.09 0.00 -0.94 0.00 0.00 39.48 37.22 1joq n PHE 76 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1joq n ASP 77 N -3.05 0.92 0.02 4.37 8.00 -1.26 -4.66 116.55 120.89 1joq n ASP 77 Ca 0.05 -1.79 0.12 0.00 0.71 0.00 0.00 54.79 53.88 1joq n ASP 77 Cb 0.56 -0.49 0.51 0.00 -0.02 0.00 0.00 41.12 41.68 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1joq n LYS 78 N -2.38 0.05 0.00 -1.24 0.00 -1.26 -4.69 118.16 108.64 1joq n LYS 78 Ca 0.12 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.54 1joq n LYS 78 Cb 0.43 -1.57 0.00 0.00 -0.00 0.00 0.00 35.03 33.89 1joq n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 79 N 1.06 0.24 3.45 2.58 0.00 -1.26 -4.96 105.19 106.30 1joq n GLY 79 Ca 0.06 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 1joq n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1joq n GLN 80 N 0.00 -0.56 -0.00 1.61 1.13 -1.26 -5.02 117.38 113.28 1joq n GLN 80 Ca 0.00 -2.15 0.04 0.00 -1.94 0.00 0.00 57.00 52.95 1joq n GLN 80 Cb 0.00 -0.88 -0.05 0.00 0.11 0.00 0.00 30.24 29.41 1joq n GLN 80 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1joq n ARG 81 N -3.05 3.13 -3.98 -1.09 1.74 -1.26 -4.49 116.66 107.67 1joq n ARG 81 Ca 0.15 -0.02 -0.09 0.00 -0.77 0.00 0.00 57.85 57.12 1joq n ARG 81 Cb 0.52 -0.99 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1joq s THR 82 N -2.03 0.14 0.00 0.55 -4.23 -1.26 -1.79 115.64 107.02 1joq s THR 82 Ca 0.02 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.37 1joq s THR 82 Cb 0.06 -0.78 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1joq s THR 82 CO 0.36 -0.64 0.00 0.47 -0.54 0.00 0.00 174.62 174.27 1joq n ASP 83 N 0.96 0.00 0.23 3.99 9.92 -0.94 -4.90 116.55 125.81 1joq n ASP 83 Ca -0.20 -0.52 0.10 0.00 -0.53 0.00 0.00 54.79 53.65 1joq n ASP 83 Cb 0.58 0.00 0.51 0.00 -0.64 0.00 0.00 41.12 41.57 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1joq h LYS 84 N 0.00 0.00 -0.05 -1.24 2.10 -2.02 -2.13 116.57 113.22 1joq h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 84 CO 0.00 0.22 0.00 0.66 -2.00 0.00 0.00 179.45 178.33 1joq n TYR 85 N -3.46 0.06 -0.95 0.07 4.01 -1.26 -4.86 117.16 110.77 1joq n TYR 85 Ca -0.00 -0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1joq n TYR 85 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 86 N 1.02 0.80 3.76 2.72 0.00 -0.80 -4.99 105.19 107.69 1joq n GLY 86 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1joq n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1joq s ARG 87 N -0.15 2.88 -0.35 1.61 0.52 -1.26 -4.69 118.95 117.51 1joq s ARG 87 Ca 0.00 1.66 -0.22 0.00 -0.52 0.00 0.00 55.73 56.65 1joq s ARG 87 Cb 0.00 -1.94 0.00 0.00 0.52 0.00 0.00 34.95 33.54 1joq s ARG 87 CO 0.00 -1.24 0.72 0.20 0.02 0.00 0.00 175.30 175.00 1joq s GLY 88 N -1.95 1.71 -0.25 -3.53 0.00 -0.84 -2.20 107.32 100.25 1joq s GLY 88 Ca 0.73 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 44.65 1joq s GLY 88 CO 0.36 1.64 0.23 1.08 0.00 0.00 0.00 173.10 176.40 1joq s LEU 89 N 2.90 4.08 -0.13 0.66 1.43 -0.74 -1.89 118.68 125.00 1joq s LEU 89 Ca 0.29 0.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.23 1joq s LEU 89 Cb -0.14 -2.20 0.13 0.00 0.03 0.00 0.00 46.19 44.00 1joq s LEU 89 CO 0.15 -0.02 1.02 0.00 0.23 0.00 0.00 176.35 177.73 1joq s ALA 90 N 1.43 -1.93 -0.40 4.21 0.00 -1.25 -4.39 121.76 119.43 1joq s ALA 90 Ca 0.10 1.44 -0.29 0.00 0.00 0.00 0.00 51.96 53.21 1joq s ALA 90 Cb -0.15 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1joq s ALA 90 CO 0.08 -0.46 1.13 0.71 0.00 0.00 0.00 175.76 177.22 1joq s TYR 91 N -1.87 2.94 0.37 0.00 1.51 -0.60 -4.39 117.35 115.31 1joq s TYR 91 Ca 0.02 0.93 -0.25 0.00 -1.01 0.00 0.00 57.07 56.77 1joq s TYR 91 Cb -0.01 -4.09 -0.09 0.00 -0.11 0.00 0.00 41.96 37.66 1joq s TYR 91 CO -0.03 -1.10 1.01 0.42 -1.11 0.00 0.00 175.55 174.74 1joq s ILE 92 N 4.13 3.92 -0.06 2.71 1.01 -1.26 -2.12 121.20 129.53 1joq s ILE 92 Ca 0.48 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.64 1joq s ILE 92 Cb -0.10 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1joq s ILE 92 CO 0.24 0.05 -0.05 -0.31 0.00 0.00 0.00 174.94 174.87 1joq s TYR 93 N -1.66 0.93 -0.06 3.97 1.51 -0.87 -1.54 117.35 119.62 1joq s TYR 93 Ca 0.55 -0.32 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 1joq s TYR 93 Cb -0.20 -0.83 -0.01 0.00 -0.11 0.00 0.00 41.96 40.81 1joq s TYR 93 CO 0.26 -0.28 -0.23 0.00 -1.11 0.00 0.00 175.55 174.19 1joq s ALA 94 N 1.22 2.04 -0.50 3.71 0.00 -0.09 -2.48 121.76 125.66 1joq s ALA 94 Ca -0.06 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1joq s ALA 94 Cb -0.14 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.32 1joq s ALA 94 CO -0.02 0.37 0.00 -0.25 0.00 0.00 0.00 175.76 175.86 1joq n ASP 95 N 3.10 -5.48 0.00 0.00 8.00 -1.16 -1.17 116.55 119.84 1joq n ASP 95 Ca -0.18 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1joq n ASP 95 Cb 0.52 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.23 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1joq n GLY 96 N 0.14 0.87 3.28 0.44 0.00 -1.26 -5.07 105.19 103.58 1joq n GLY 96 Ca -0.05 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 1joq n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1joq s LYS 97 N -1.55 1.13 -0.51 1.61 2.20 -0.31 -5.09 119.74 117.22 1joq s LYS 97 Ca 0.00 -1.46 -0.28 0.00 -0.36 0.00 0.00 55.97 53.87 1joq s LYS 97 Cb 0.00 -0.81 0.03 0.00 -1.51 0.00 0.00 37.83 35.54 1joq s LYS 97 CO 0.00 0.12 1.14 1.41 -0.36 0.00 0.00 175.35 177.66 1joq s MET 98 N -3.55 3.65 0.31 4.03 -2.45 -1.26 -0.91 119.30 119.11 1joq s MET 98 Ca 0.17 0.44 0.02 0.00 -1.25 0.00 0.00 55.69 55.07 1joq s MET 98 Cb 0.00 -3.94 0.58 0.00 1.25 0.00 0.00 34.83 32.73 1joq s MET 98 CO 0.03 -1.46 1.89 0.28 1.05 0.00 0.00 175.02 176.81 1joq h VAL 99 N 6.21 1.00 -0.84 10.11 2.07 -1.62 -0.66 116.25 132.51 1joq h VAL 99 Ca -0.24 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1joq h VAL 99 Cb 1.06 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1joq h VAL 99 CO 1.14 0.18 0.54 0.78 0.02 0.00 0.00 177.57 180.23 1joq h ASN 100 N 0.97 0.90 0.93 0.57 4.21 -1.90 -0.62 115.58 120.63 1joq h ASN 100 Ca 0.42 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.86 1joq h ASN 100 Cb 0.34 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.33 1joq h ASN 100 CO -0.18 0.62 -0.29 -0.08 -1.29 0.00 0.00 177.43 176.22 1joq h GLU 101 N 1.06 0.00 -0.05 0.81 4.81 -1.54 -2.73 114.58 116.94 1joq h GLU 101 Ca 0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 1joq h GLU 101 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1joq h GLU 101 CO -0.11 0.29 0.01 0.00 -0.73 0.00 0.00 179.01 178.46 1joq h ALA 102 N 1.71 0.06 0.17 2.92 0.00 -0.05 0.92 119.26 125.00 1joq h ALA 102 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1joq h ALA 102 Cb 0.83 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1joq h ALA 102 CO 0.04 -0.30 -0.08 -0.07 0.00 0.00 0.00 179.25 178.84 1joq h LEU 103 N -0.17 -0.19 -2.50 0.00 3.38 -1.40 -1.63 115.31 112.81 1joq h LEU 103 Ca 0.01 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1joq h LEU 103 Cb 0.27 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1joq h LEU 103 CO 0.00 0.01 0.10 0.58 0.09 0.00 0.00 178.44 179.22 1joq h VAL 104 N -0.38 0.31 -0.12 1.22 2.07 -1.46 0.11 116.25 117.99 1joq h VAL 104 Ca -0.02 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.30 1joq h VAL 104 Cb 0.30 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1joq h VAL 104 CO 0.04 0.00 -0.73 -0.09 0.02 0.00 0.00 177.57 176.81 1joq h ARG 105 N 0.00 0.59 -0.71 1.57 9.65 0.13 -2.94 114.38 122.66 1joq h ARG 105 Ca 0.03 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1joq h ARG 105 Cb 0.22 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 1joq h ARG 105 CO -0.00 1.09 0.00 0.94 2.80 0.00 0.00 179.97 184.80 1joq n GLN 106 N -3.89 3.47 -3.88 0.20 7.27 -0.06 -4.84 117.38 115.66 1joq n GLN 106 Ca -0.05 -2.04 -0.26 0.00 0.07 0.00 0.00 57.00 54.72 1joq n GLN 106 Cb 0.71 -1.97 0.01 0.00 2.41 0.00 0.00 30.24 31.41 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1joq n GLY 107 N 0.46 -0.34 0.00 1.69 0.00 -0.92 -4.58 105.19 101.49 1joq n GLY 107 Ca 0.18 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.38 1joq n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1joq n LEU 108 N -4.43 0.27 -4.17 0.99 4.77 -0.71 -2.93 117.00 110.78 1joq n LEU 108 Ca -0.17 -0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 55.25 1joq n LEU 108 Cb 0.62 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1joq n LEU 108 CO 0.74 0.07 -0.35 0.00 -1.33 0.00 0.00 177.39 176.52 1joq s ALA 109 N -1.67 0.97 0.25 -1.18 0.00 -1.25 -4.61 121.76 114.27 1joq s ALA 109 Ca 0.02 -1.41 0.11 0.00 0.00 0.00 0.00 51.96 50.68 1joq s ALA 109 Cb 0.05 0.41 -0.05 0.00 0.00 0.00 0.00 23.12 23.53 1joq s ALA 109 CO 0.26 -0.33 -0.20 0.15 0.00 0.00 0.00 175.76 175.64 1joq s LYS 110 N -3.91 1.58 0.21 0.00 1.02 -1.02 -4.55 119.74 113.07 1joq s LYS 110 Ca 0.16 -1.68 -0.16 0.00 0.02 0.00 0.00 55.97 54.31 1joq s LYS 110 Cb 0.06 -1.67 -0.08 0.00 -0.52 0.00 0.00 37.83 35.63 1joq s LYS 110 CO -0.02 0.32 0.65 0.08 -0.92 0.00 0.00 175.35 175.46 1joq s VAL 111 N -2.40 4.72 0.00 3.17 1.01 -1.26 -1.07 120.40 124.57 1joq s VAL 111 Ca 0.27 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.08 1joq s VAL 111 Cb -0.05 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.63 1joq s VAL 111 CO 0.12 0.13 0.75 0.00 0.00 0.00 0.00 175.10 176.10 1joq n ALA 112 N 0.50 -2.09 -2.83 5.51 0.00 -0.94 -4.86 120.51 115.79 1joq n ALA 112 Ca -0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 53.44 52.88 1joq n ALA 112 Cb 0.52 0.12 0.01 0.00 0.00 0.00 0.00 19.45 20.09 1joq n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1joq n TYR 113 N -0.54 -3.52 -3.90 0.00 4.01 -1.26 -3.86 117.16 108.09 1joq n TYR 113 Ca 0.02 1.50 -0.33 0.00 -0.16 0.00 0.00 57.90 58.94 1joq n TYR 113 Cb 0.35 -3.76 -0.13 0.00 -0.31 0.00 0.00 39.34 35.48 1joq n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1joq s VAL 114 N -1.95 2.79 -0.33 -0.72 1.01 -1.26 -4.31 120.40 115.64 1joq s VAL 114 Ca 0.11 -2.67 -0.01 0.00 0.00 0.00 0.00 61.98 59.41 1joq s VAL 114 Cb -0.03 -2.95 0.11 0.00 0.00 0.00 0.00 36.38 33.51 1joq s VAL 114 CO 0.74 -0.72 0.14 -0.31 0.00 0.00 0.00 175.10 174.94 1joq s TYR 115 N 0.46 1.26 0.85 5.22 2.02 -1.26 -5.08 117.35 120.82 1joq s TYR 115 Ca 0.13 -1.59 -0.12 0.00 -0.37 0.00 0.00 57.07 55.12 1joq s TYR 115 Cb -0.22 -1.43 0.11 0.00 -0.40 0.00 0.00 41.96 40.02 1joq s TYR 115 CO -0.04 -0.85 1.18 -1.59 -1.57 0.00 0.00 175.55 172.68 1joq s LYS 116 N 1.52 1.35 -0.00 -0.62 -2.85 -1.26 -0.86 119.74 117.01 1joq s LYS 116 Ca 0.12 1.68 0.00 0.00 -1.00 0.00 0.00 55.97 56.77 1joq s LYS 116 Cb -0.19 -1.75 0.01 0.00 -2.06 0.00 0.00 37.83 33.85 1joq s LYS 116 CO -0.22 -2.42 0.86 -0.35 0.10 0.00 0.00 175.35 173.33 1joq n PRO 117 N -3.71 1.04 -1.98 1.78 -0.04 -1.26 -4.97 135.00 125.87 1joq n PRO 117 Ca 0.13 -0.05 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 1joq n PRO 117 Cb 0.51 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1joq n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1joq n ASN 118 N -0.32 4.31 -0.84 3.54 3.02 -0.04 -4.07 115.26 120.87 1joq n ASN 118 Ca 0.00 -2.93 -0.05 0.00 -0.03 0.00 0.00 54.58 51.58 1joq n ASN 118 Cb 0.09 -1.61 -0.05 0.00 -0.61 0.00 0.00 39.78 37.60 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1joq n ASN 119 N 5.56 -0.71 -0.25 6.41 0.23 -1.26 -4.08 115.26 121.15 1joq n ASN 119 Ca 0.48 -1.53 -0.03 0.00 -0.53 0.00 0.00 54.58 52.97 1joq n ASN 119 Cb 0.39 0.21 0.03 0.00 -2.08 0.00 0.00 39.78 38.33 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1joq h THR 120 N 4.10 0.14 -0.92 5.53 2.02 -1.98 0.11 112.91 121.91 1joq h THR 120 Ca -0.41 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.22 1joq h THR 120 Cb 1.19 0.14 -0.14 0.00 -1.74 0.00 0.00 68.15 67.61 1joq h THR 120 CO -0.21 0.00 1.17 1.41 0.37 0.00 0.00 175.52 178.26 1joq n HIS 121 N -5.46 1.79 -0.04 3.16 8.25 -1.26 -4.58 115.22 117.09 1joq n HIS 121 Ca 0.07 -2.25 -0.00 0.00 -0.26 0.00 0.00 57.72 55.28 1joq n HIS 121 Cb 0.37 -1.62 -0.00 0.00 1.12 0.00 0.00 29.99 29.86 1joq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1joq h GLU 122 N 3.64 0.00 -0.93 -0.41 4.81 -1.18 -3.07 114.58 117.43 1joq h GLU 122 Ca 0.50 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 1joq h GLU 122 Cb 0.65 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.98 1joq h GLU 122 CO 1.05 0.00 0.54 1.96 -0.73 0.00 0.00 179.01 181.84 1joq h GLN 123 N -0.80 1.28 0.15 1.92 4.20 -1.83 -0.95 115.11 119.09 1joq h GLN 123 Ca 0.00 -0.13 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1joq h GLN 123 Cb 0.04 -0.26 -0.04 0.00 0.30 0.00 0.00 27.48 27.53 1joq h GLN 123 CO 0.00 0.91 -0.31 1.25 -0.67 0.00 0.00 178.83 180.01 1joq h LEU 124 N 1.30 -0.88 -1.98 1.46 7.12 -1.88 -0.14 115.31 120.31 1joq h LEU 124 Ca 0.33 0.10 -0.02 0.00 0.13 0.00 0.00 57.88 58.42 1joq h LEU 124 Cb -0.02 0.33 -0.00 0.00 -0.53 0.00 0.00 40.66 40.43 1joq h LEU 124 CO -0.06 -0.40 -0.11 -0.07 -0.13 0.00 0.00 178.44 177.67 1joq h LEU 125 N -0.55 0.00 0.71 2.25 3.38 -1.40 -2.31 115.31 117.40 1joq h LEU 125 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1joq h LEU 125 Cb 0.57 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1joq h LEU 125 CO -0.16 0.11 -0.34 0.03 0.09 0.00 0.00 178.44 178.16 1joq h ARG 126 N 0.00 -0.92 -0.02 1.13 2.47 0.36 -1.50 114.38 115.90 1joq h ARG 126 Ca -0.00 0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1joq h ARG 126 Cb 0.26 0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1joq h ARG 126 CO 0.01 -0.62 0.02 1.57 0.56 0.00 0.00 179.97 181.52 1joq h LYS 127 N -1.08 0.00 -0.27 0.04 2.10 -1.23 -1.69 116.57 114.43 1joq h LYS 127 Ca -0.10 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.50 1joq h LYS 127 Cb 0.73 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.06 1joq h LYS 127 CO 0.16 0.00 -0.03 0.77 -2.00 0.00 0.00 179.45 178.35 1joq h SER 128 N 0.00 0.50 -0.21 7.07 0.02 -1.06 -2.35 113.55 117.52 1joq h SER 128 Ca 0.01 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 1joq h SER 128 Cb 0.05 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1joq h SER 128 CO -0.00 0.72 -0.00 -0.08 -1.14 0.00 0.00 176.83 176.33 1joq h GLU 129 N 0.27 0.37 -0.97 3.45 4.81 -0.37 -2.25 114.58 119.89 1joq h GLU 129 Ca 0.07 -0.12 0.16 0.00 -0.13 0.00 0.00 59.36 59.35 1joq h GLU 129 Cb 0.49 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 1joq h GLU 129 CO 0.02 0.57 0.61 0.00 -0.73 0.00 0.00 179.01 179.48 1joq h ALA 130 N 0.79 1.74 -0.46 2.92 0.00 -1.39 0.15 119.26 123.00 1joq h ALA 130 Ca 0.06 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1joq h ALA 130 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1joq h ALA 130 CO 0.01 -0.04 -0.18 0.37 0.00 0.00 0.00 179.25 179.42 1joq h GLN 131 N 0.77 0.94 0.00 0.00 5.75 -1.14 -2.17 115.11 119.25 1joq h GLN 131 Ca 0.51 -0.39 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1joq h GLN 131 Cb 0.78 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.30 1joq h GLN 131 CO -0.28 1.05 0.00 0.00 -2.65 0.00 0.00 178.83 176.95 1joq h ALA 132 N 0.86 1.00 0.09 3.38 0.00 -0.30 -2.47 119.26 121.82 1joq h ALA 132 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1joq h ALA 132 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1joq h ALA 132 CO 0.06 0.00 -0.04 0.87 0.00 0.00 0.00 179.25 180.14 1joq h LYS 133 N 0.00 -0.11 -0.11 0.00 1.79 -0.20 -0.99 116.57 116.96 1joq h LYS 133 Ca 0.00 0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1joq h LYS 133 Cb 0.45 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1joq h LYS 133 CO 0.00 0.29 0.08 0.87 -1.08 0.00 0.00 179.45 179.61 1joq h LYS 134 N -0.97 0.00 0.00 3.15 1.79 -1.43 0.11 116.57 119.22 1joq h LYS 134 Ca -0.01 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.36 1joq h LYS 134 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.09 1joq h LYS 134 CO 0.02 0.00 -0.47 0.93 -1.08 0.00 0.00 179.45 178.85 1joq h GLU 135 N 0.00 0.00 -5.92 3.15 5.08 -1.47 -3.48 114.58 111.95 1joq h GLU 135 Ca 0.05 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.10 1joq h GLU 135 Cb 0.21 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.55 1joq h GLU 135 CO -0.00 0.47 -0.77 1.63 -1.00 0.00 0.00 179.01 179.34 1joq n LYS 136 N -3.24 -1.53 -3.60 2.33 5.02 0.37 -4.94 118.16 112.58 1joq n LYS 136 Ca 0.02 0.77 -0.38 0.00 -2.02 0.00 0.00 58.31 56.70 1joq n LYS 136 Cb 0.71 -4.70 -0.11 0.00 -0.02 0.00 0.00 35.03 30.91 1joq n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1joq s LEU 137 N -5.63 4.05 0.00 -0.35 1.43 -1.21 -4.35 118.68 112.62 1joq s LEU 137 Ca 0.35 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1joq s LEU 137 Cb -0.10 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.03 1joq s LEU 137 CO 0.81 -0.09 0.00 0.59 0.23 0.00 0.00 176.35 177.89 1joq n ASN 138 N 5.05 0.00 -0.34 2.29 3.02 -1.26 -2.70 115.26 121.32 1joq n ASN 138 Ca -0.14 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.59 1joq n ASN 138 Cb 0.51 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 40.03 1joq n ASN 138 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1joq n ILE 139 N 0.00 -0.42 -1.14 2.41 5.41 -1.15 0.62 119.36 125.10 1joq n ILE 139 Ca 0.00 2.14 -0.18 0.00 1.00 0.00 0.00 62.75 65.72 1joq n ILE 139 Cb 0.00 -3.20 -0.09 0.00 -0.71 0.00 0.00 39.64 35.65 1joq n ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1joq n TRP 140 N -5.43 0.83 -0.07 1.39 7.02 -1.10 -4.05 117.44 116.02 1joq n TRP 140 Ca 0.26 -1.69 -0.10 0.00 -1.02 0.00 0.00 57.50 54.95 1joq n TRP 140 Cb 0.86 -1.34 -0.08 0.00 -2.42 0.00 0.00 31.31 28.34 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq n SER 141 N 1.50 2.64 0.00 -0.99 2.88 0.20 -3.45 113.62 116.40 1joq n SER 141 Ca 0.40 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1joq n SER 141 Cb 0.69 -0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1joq n SER 141 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1joq n GLU 142 N -2.86 0.00 -3.51 -1.46 1.02 -1.26 -4.90 120.64 107.68 1joq n GLU 142 Ca -0.26 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.56 1joq n GLU 142 Cb 0.81 -0.19 0.03 0.00 -0.02 0.00 0.00 31.44 32.06 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1joq n ASP 143 N 0.00 -5.61 0.00 1.62 2.03 -1.26 -4.97 116.55 108.36 1joq n ASP 143 Ca 0.00 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.00 1joq n ASP 143 Cb 0.00 -2.09 0.00 0.00 -0.72 0.00 0.00 41.12 38.31 1joq n ASP 143 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1joq n ASN 144 N -0.87 0.00 -2.80 1.67 4.13 -1.26 -5.07 115.26 111.05 1joq n ASN 144 Ca -0.13 0.00 -0.00 0.00 1.68 0.00 0.00 54.58 56.13 1joq n ASN 144 Cb 0.66 0.00 -0.00 0.00 -1.54 0.00 0.00 39.78 38.90 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1joq n ALA 145 N -3.00 -3.23 -3.66 5.41 0.00 -1.26 -5.05 120.51 109.73 1joq n ALA 145 Ca 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 53.44 53.86 1joq n ALA 145 Cb 0.00 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 1joq n ALA 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1joq s ASP 146 N -1.50 -0.16 -0.67 0.00 1.01 -1.26 -5.10 116.67 108.99 1joq s ASP 146 Ca -0.01 -0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.06 1joq s ASP 146 Cb 0.00 0.33 0.17 0.00 1.01 0.00 0.00 42.92 44.42 1joq s ASP 146 CO 0.65 -0.59 0.47 -0.55 0.21 0.00 0.00 175.17 175.35 1joq s SER 147 N -2.81 4.95 -0.04 0.27 0.15 -1.26 -4.82 113.70 110.15 1joq s SER 147 Ca 0.12 -3.41 0.05 0.00 0.70 0.00 0.00 55.95 53.41 1joq s SER 147 Cb 0.01 -1.73 0.08 0.00 -1.71 0.00 0.00 66.02 62.67 1joq s SER 147 CO -0.02 -0.19 0.99 0.61 1.20 0.00 0.00 173.24 175.82 1joq n GLY 148 N 2.63 2.75 0.00 9.45 0.00 -1.26 -5.36 105.19 113.40 1joq n GLY 148 Ca 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26