#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 0.34 -1.41 0.00 -1.04 -1.26 -5.04 114.28 105.87 1joq n THR 2 Ca 0.00 -0.67 -0.39 0.00 -2.04 0.00 0.00 64.05 60.95 1joq n THR 2 Cb 0.00 0.92 0.02 0.00 -1.82 0.00 0.00 70.33 69.46 1joq n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1joq n SER 3 N 0.29 -1.65 -0.00 8.00 7.64 -1.26 -4.89 113.62 121.74 1joq n SER 3 Ca 0.05 0.75 0.07 0.00 1.01 0.00 0.00 58.87 60.76 1joq n SER 3 Cb 0.23 -1.08 -0.10 0.00 -1.01 0.00 0.00 64.21 62.25 1joq n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1joq n THR 4 N -1.48 0.00 -2.81 0.44 -1.04 -1.26 -4.57 114.28 103.56 1joq n THR 4 Ca 0.11 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.05 61.89 1joq n THR 4 Cb 0.46 0.73 0.05 0.00 -1.82 0.00 0.00 70.33 69.75 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 -1.58 1.64 0.00 -2.82 4.76 -1.26 -5.07 118.16 113.83 1joq n LYS 5 Ca 0.01 -3.38 0.00 0.00 -2.87 0.00 0.00 58.31 52.07 1joq n LYS 5 Cb 0.29 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1joq n LYS 5 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1joq n LYS 6 N -0.57 0.00 -0.69 1.97 4.81 -1.26 -4.41 118.16 118.01 1joq n LYS 6 Ca 0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.38 1joq n LYS 6 Cb 0.81 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.95 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1joq n LEU 7 N 0.00 0.00 -4.40 3.14 4.77 -1.26 -4.94 117.00 114.31 1joq n LEU 7 Ca 0.00 -0.58 -0.31 0.00 -0.03 0.00 0.00 56.01 55.09 1joq n LEU 7 Cb 0.00 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 1joq n LEU 7 CO 0.00 -1.10 -0.52 -1.38 -1.33 0.00 0.00 177.39 173.07 1joq s HIS 8 N -2.11 2.50 -0.24 -1.77 -3.43 -1.26 -4.97 115.29 104.01 1joq s HIS 8 Ca 0.31 -0.31 -0.09 0.00 -0.80 0.00 0.00 55.06 54.18 1joq s HIS 8 Cb -0.02 -1.51 -0.04 0.00 -1.43 0.00 0.00 32.58 29.58 1joq s HIS 8 CO 0.23 0.12 0.11 0.15 -2.00 0.00 0.00 174.74 173.35 1joq s LYS 9 N -0.94 3.87 0.32 -0.38 1.02 -1.26 -4.50 119.74 117.87 1joq s LYS 9 Ca 0.12 -0.37 0.07 0.00 0.02 0.00 0.00 55.97 55.81 1joq s LYS 9 Cb -0.10 -3.42 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1joq s LYS 9 CO 0.01 -0.04 0.31 -1.21 -0.92 0.00 0.00 175.35 173.51 1joq s GLU 10 N 1.27 2.86 0.66 1.68 8.01 -0.50 -4.87 118.70 127.81 1joq s GLU 10 Ca 0.06 -1.18 -0.11 0.00 0.01 0.00 0.00 54.97 53.74 1joq s GLU 10 Cb -0.14 -2.57 -0.01 0.00 -4.31 0.00 0.00 34.13 27.09 1joq s GLU 10 CO 0.05 0.15 1.06 -1.25 0.01 0.00 0.00 175.26 175.27 1joq s PRO 11 N -4.00 3.23 0.30 0.39 0.04 -1.26 -0.42 135.00 133.27 1joq s PRO 11 Ca 0.40 0.67 -0.02 0.00 0.04 0.00 0.00 61.00 62.10 1joq s PRO 11 Cb -0.07 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1joq s PRO 11 CO 0.27 -0.81 0.42 0.00 0.04 0.00 0.00 177.00 176.92 1joq n ALA 12 N -2.90 -0.34 -3.18 8.56 0.00 -0.49 -4.68 120.51 117.49 1joq n ALA 12 Ca 0.06 -1.35 -0.23 0.00 0.00 0.00 0.00 53.44 51.93 1joq n ALA 12 Cb 0.55 1.09 -0.16 0.00 0.00 0.00 0.00 19.45 20.93 1joq n ALA 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1joq s THR 13 N -2.73 1.02 -0.98 0.00 2.01 -0.53 -4.84 115.64 109.59 1joq s THR 13 Ca 0.24 -0.46 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 1joq s THR 13 Cb -0.01 -0.92 0.07 0.00 0.01 0.00 0.00 72.50 71.66 1joq s THR 13 CO 0.17 0.32 1.35 -0.22 -0.69 0.00 0.00 174.62 175.54 1joq s LEU 14 N 0.35 3.96 -0.02 4.42 1.98 -1.26 -1.16 118.68 126.95 1joq s LEU 14 Ca -0.07 -1.60 -0.03 0.00 -2.89 0.00 0.00 54.13 49.54 1joq s LEU 14 Cb -0.12 -2.52 -0.02 0.00 0.66 0.00 0.00 46.19 44.20 1joq s LEU 14 CO 0.02 -1.39 0.32 0.40 -1.89 0.00 0.00 176.35 173.81 1joq h ILE 15 N 6.49 0.00 -1.75 6.68 2.04 -1.71 -3.47 117.51 125.79 1joq h ILE 15 Ca 0.17 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1joq h ILE 15 Cb 1.02 0.00 -0.22 0.00 -0.74 0.00 0.00 36.82 36.88 1joq h ILE 15 CO 1.33 0.00 -0.23 -0.75 0.00 0.00 0.00 178.15 178.50 1joq s LYS 16 N -1.92 0.53 0.21 2.37 2.20 -1.00 -5.02 119.74 117.11 1joq s LYS 16 Ca -0.02 1.20 -0.26 0.00 -0.36 0.00 0.00 55.97 56.54 1joq s LYS 16 Cb 0.00 0.62 -0.09 0.00 -1.51 0.00 0.00 37.83 36.86 1joq s LYS 16 CO 0.05 -0.37 0.83 0.00 -0.36 0.00 0.00 175.35 175.51 1joq s ALA 17 N 2.83 3.38 -0.03 3.13 0.00 -1.26 -1.63 121.76 128.18 1joq s ALA 17 Ca 0.04 0.42 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1joq s ALA 17 Cb -0.13 -3.03 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1joq s ALA 17 CO -0.19 0.26 -0.08 -0.89 0.00 0.00 0.00 175.76 174.86 1joq n ILE 18 N 1.30 0.59 -3.30 0.00 5.41 -0.58 -4.92 119.36 117.86 1joq n ILE 18 Ca -0.03 0.27 0.00 0.00 1.00 0.00 0.00 62.75 63.99 1joq n ILE 18 Cb 0.49 -1.60 0.00 0.00 -0.71 0.00 0.00 39.64 37.82 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 -3.16 0.83 0.14 4.38 8.00 -0.33 -4.94 116.55 121.47 1joq n ASP 19 Ca -0.03 -0.89 0.04 0.00 0.71 0.00 0.00 54.79 54.61 1joq n ASP 19 Cb 0.13 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.26 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1joq h GLY 20 N 0.00 0.00 -0.38 0.44 0.00 -1.77 -3.28 103.07 98.08 1joq h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1joq h GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1joq n ASP 21 N -3.16 2.31 -3.76 0.19 9.92 -1.26 -4.73 116.55 116.06 1joq n ASP 21 Ca 0.01 -2.07 -0.26 0.00 -0.53 0.00 0.00 54.79 51.94 1joq n ASP 21 Cb 0.71 -0.09 -0.17 0.00 -0.64 0.00 0.00 41.12 40.93 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 -1.11 0.53 -0.06 -3.53 2.01 -1.24 -2.52 115.64 109.72 1joq s THR 22 Ca 0.09 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.69 1joq s THR 22 Cb 0.05 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.68 1joq s THR 22 CO 0.05 -0.03 0.16 0.68 -0.69 0.00 0.00 174.62 174.79 1joq s VAL 23 N 1.87 -0.01 -0.11 3.82 -7.23 -1.01 -1.19 120.40 116.55 1joq s VAL 23 Ca 0.01 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 59.99 1joq s VAL 23 Cb -0.15 -0.24 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 1joq s VAL 23 CO -0.07 0.02 0.74 -0.54 -0.31 0.00 0.00 175.10 174.94 1joq s LYS 24 N 0.37 4.38 0.21 4.82 -0.14 -0.65 -1.41 119.74 127.33 1joq s LYS 24 Ca -0.02 0.91 0.01 0.00 -1.36 0.00 0.00 55.97 55.51 1joq s LYS 24 Cb -0.04 -3.50 -0.05 0.00 -1.68 0.00 0.00 37.83 32.57 1joq s LYS 24 CO -0.02 -0.08 0.06 -0.51 -0.76 0.00 0.00 175.35 174.04 1joq s LEU 25 N 1.30 1.76 -0.11 3.17 1.43 -0.70 -1.88 118.68 123.65 1joq s LEU 25 Ca 0.37 -1.29 -0.05 0.00 -1.03 0.00 0.00 54.13 52.13 1joq s LEU 25 Cb -0.17 0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 1joq s LEU 25 CO 0.16 -0.69 0.08 -0.32 0.23 0.00 0.00 176.35 175.82 1joq s MET 26 N -4.01 3.33 -0.10 1.70 1.75 -0.31 -2.42 119.30 119.25 1joq s MET 26 Ca 0.31 -0.25 -0.04 0.00 -1.25 0.00 0.00 55.69 54.47 1joq s MET 26 Cb 0.07 -3.05 0.05 0.00 2.84 0.00 0.00 34.83 34.74 1joq s MET 26 CO 0.09 0.70 0.16 -0.47 -0.65 0.00 0.00 175.02 174.84 1joq s TYR 27 N -0.82 -0.16 -1.41 4.11 5.04 -0.73 -1.45 117.35 121.92 1joq s TYR 27 Ca 0.13 0.50 -0.02 0.00 -2.44 0.00 0.00 57.07 55.24 1joq s TYR 27 Cb -0.12 -0.31 0.01 0.00 0.35 0.00 0.00 41.96 41.89 1joq s TYR 27 CO 0.03 -0.33 0.14 1.63 -1.34 0.00 0.00 175.55 175.68 1joq n LYS 28 N 5.32 -2.54 -2.65 4.97 4.01 -1.26 -0.72 118.16 125.29 1joq n LYS 28 Ca -0.05 0.78 -0.07 0.00 -0.51 0.00 0.00 58.31 58.47 1joq n LYS 28 Cb 0.50 -5.45 0.02 0.00 -0.51 0.00 0.00 35.03 29.58 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1joq n GLY 29 N -1.02 0.43 2.65 0.72 0.00 -1.26 -5.03 105.19 101.69 1joq n GLY 29 Ca -0.17 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 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 -5.12 0.26 -0.13 1.61 2.00 0.10 -5.11 119.66 113.27 1joq s GLN 30 Ca 0.13 -0.18 -0.29 0.00 -2.00 0.00 0.00 55.36 53.01 1joq s GLN 30 Cb -0.06 -1.89 -0.02 0.00 0.80 0.00 0.00 33.01 31.84 1joq s GLN 30 CO 0.16 -0.65 1.18 -1.25 -0.50 0.00 0.00 175.29 174.22 1joq s PRO 31 N 2.05 4.30 0.31 1.67 0.04 -1.26 -1.77 135.00 140.33 1joq s PRO 31 Ca 0.01 1.59 -0.07 0.00 0.04 0.00 0.00 61.00 62.57 1joq s PRO 31 Cb -0.16 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1joq s PRO 31 CO -0.09 -0.55 0.49 -1.64 0.04 0.00 0.00 177.00 175.25 1joq s MET 32 N 2.80 1.79 -0.44 4.56 -1.94 -1.01 -5.00 119.30 120.05 1joq s MET 32 Ca 0.53 -1.55 -0.09 0.00 -1.71 0.00 0.00 55.69 52.87 1joq s MET 32 Cb -0.21 0.46 0.10 0.00 2.01 0.00 0.00 34.83 37.19 1joq s MET 32 CO 0.16 -0.75 0.29 0.99 -0.01 0.00 0.00 175.02 175.71 1joq s THR 33 N -3.36 4.14 0.28 2.05 2.01 -1.26 -1.72 115.64 117.79 1joq s THR 33 Ca 0.27 -1.62 -0.28 0.00 0.31 0.00 0.00 61.69 60.37 1joq s THR 33 Cb -0.01 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 1joq s THR 33 CO 0.15 -0.64 0.94 -0.36 -0.69 0.00 0.00 174.62 174.03 1joq s PHE 34 N 1.38 3.83 0.10 4.92 0.40 -0.50 -1.65 117.98 126.45 1joq s PHE 34 Ca 0.04 1.84 0.09 0.00 -0.60 0.00 0.00 56.93 58.31 1joq s PHE 34 Cb -0.24 -2.95 -0.03 0.00 0.51 0.00 0.00 43.02 40.30 1joq s PHE 34 CO 0.00 0.33 -0.23 1.03 0.70 0.00 0.00 175.22 177.05 1joq s ARG 35 N -1.65 1.26 0.11 0.44 0.52 -0.75 -2.40 118.95 116.48 1joq s ARG 35 Ca 0.46 -1.17 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 1joq s ARG 35 Cb -0.22 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.62 1joq s ARG 35 CO 0.27 0.37 1.28 -0.51 0.02 0.00 0.00 175.30 176.74 1joq s LEU 36 N -1.81 4.38 0.46 2.53 1.43 -1.05 -4.00 118.68 120.63 1joq s LEU 36 Ca 0.09 2.19 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 1joq s LEU 36 Cb -0.10 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1joq s LEU 36 CO 0.04 -0.54 0.72 -0.76 0.23 0.00 0.00 176.35 176.04 1joq s LEU 37 N 0.86 3.65 -1.44 1.79 1.43 -1.26 -4.04 118.68 119.67 1joq s LEU 37 Ca 0.60 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 1joq s LEU 37 Cb -0.33 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.40 1joq s LEU 37 CO 0.31 -0.63 0.00 0.18 0.23 0.00 0.00 176.35 176.44 1joq n LEU 38 N -2.16 -0.80 -3.83 1.79 4.77 -1.25 -4.92 117.00 110.61 1joq n LEU 38 Ca 0.00 0.34 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1joq n LEU 38 Cb 0.56 -2.41 -0.14 0.00 -2.33 0.00 0.00 43.42 39.10 1joq n LEU 38 CO 0.50 -0.90 -0.29 0.68 -1.33 0.00 0.00 177.39 176.06 1joq s VAL 39 N -2.11 -0.01 -0.12 4.08 -7.23 -1.20 -2.27 120.40 111.53 1joq s VAL 39 Ca 0.00 0.05 0.03 0.00 -1.81 0.00 0.00 61.98 60.25 1joq s VAL 39 Cb 0.00 -0.12 0.01 0.00 0.56 0.00 0.00 36.38 36.83 1joq s VAL 39 CO 0.00 0.02 -0.21 -0.62 -0.31 0.00 0.00 175.10 173.98 1joq s ASP 40 N 0.30 2.97 0.24 4.85 -1.08 -0.53 -4.76 116.67 118.67 1joq s ASP 40 Ca -0.02 -0.56 -0.18 0.00 -0.52 0.00 0.00 52.55 51.27 1joq s ASP 40 Cb -0.03 -1.37 -0.08 0.00 -1.46 0.00 0.00 42.92 39.97 1joq s ASP 40 CO -0.01 0.09 0.71 0.28 0.52 0.00 0.00 175.17 176.75 1joq s THR 41 N 0.73 4.63 -1.34 1.71 -1.32 -1.26 -2.53 115.64 116.27 1joq s THR 41 Ca -0.10 1.13 -0.16 0.00 -1.21 0.00 0.00 61.69 61.36 1joq s THR 41 Cb -0.16 -3.78 0.01 0.00 -1.51 0.00 0.00 72.50 67.07 1joq s THR 41 CO 0.01 0.10 2.13 -0.81 -2.21 0.00 0.00 174.62 173.84 1joq n PRO 42 N 0.43 2.66 -1.45 7.08 -0.04 -1.26 -4.84 135.00 137.58 1joq n PRO 42 Ca -0.01 -2.55 0.00 0.00 -0.04 0.00 0.00 63.50 60.90 1joq n PRO 42 Cb 0.52 -3.26 0.00 0.00 -0.04 0.00 0.00 33.50 30.71 1joq n PRO 42 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1joq n GLU 43 N 6.50 -3.95 0.00 0.54 0.00 -1.26 -4.35 120.64 118.11 1joq n GLU 43 Ca 0.51 3.02 0.00 0.00 0.00 0.00 0.00 57.16 60.69 1joq n GLU 43 Cb 0.40 -3.63 0.00 0.00 0.00 0.00 0.00 31.44 28.21 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1joq n THR 44 N -1.91 0.00 -0.07 6.31 5.66 -1.26 -4.59 114.28 118.42 1joq n THR 44 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 1joq n THR 44 Cb 0.27 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 68.90 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1joq n LYS 45 N 0.00 0.67 -3.70 1.09 4.76 -1.26 -4.75 118.16 114.98 1joq n LYS 45 Ca 0.00 0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.25 1joq n LYS 45 Cb 0.00 -1.62 -0.14 0.00 -1.84 0.00 0.00 35.03 31.43 1joq n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1joq s HIS 46 N -2.53 1.65 -1.22 2.13 2.46 -1.26 -5.04 115.29 111.48 1joq s HIS 46 Ca -0.10 -1.89 -0.20 0.00 0.47 0.00 0.00 55.06 53.33 1joq s HIS 46 Cb 0.07 -1.67 -0.02 0.00 -0.13 0.00 0.00 32.58 30.83 1joq s HIS 46 CO 0.81 -0.85 1.87 -0.35 -2.47 0.00 0.00 174.74 173.76 1joq n PRO 47 N 4.42 2.30 0.00 2.88 -0.04 -1.26 -4.00 135.00 139.30 1joq n PRO 47 Ca 0.02 -2.75 0.00 0.00 -0.04 0.00 0.00 63.50 60.73 1joq n PRO 47 Cb 0.39 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.31 1joq n PRO 47 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1joq n LYS 48 N 8.09 0.00 0.25 0.54 2.85 -1.26 -4.92 118.16 123.71 1joq n LYS 48 Ca 0.47 0.00 0.18 0.00 -1.05 0.00 0.00 58.31 57.91 1joq n LYS 48 Cb 0.45 0.00 0.89 0.00 -0.65 0.00 0.00 35.03 35.73 1joq n LYS 48 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 177.40 178.92 1joq h LYS 49 N 0.00 0.00 0.00 -1.58 2.10 -2.04 -3.47 116.57 111.58 1joq h LYS 49 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 49 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 49 CO 0.00 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 177.86 1joq n GLY 50 N -1.33 -2.07 0.00 0.07 0.00 -1.26 -5.03 105.19 95.58 1joq n GLY 50 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 1joq n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1joq n VAL 51 N -0.01 0.00 0.05 1.61 0.31 -1.26 -5.04 118.33 113.99 1joq n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1joq n VAL 51 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1joq n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1joq n GLU 52 N -0.68 0.00 0.16 5.55 1.02 -1.26 -5.06 120.64 120.37 1joq n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1joq n GLU 52 Cb 0.00 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.01 1joq n GLU 52 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1joq n LYS 53 N -3.38 0.00 -1.64 3.49 3.00 -1.26 -4.94 118.16 113.43 1joq n LYS 53 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1joq n LYS 53 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 35.03 35.09 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 -3.18 3.11 0.00 5.64 4.01 -1.26 -4.74 117.16 120.75 1joq n TYR 54 Ca 0.00 -2.70 0.00 0.00 -0.16 0.00 0.00 57.90 55.04 1joq n TYR 54 Cb 0.00 -1.27 0.00 0.00 -0.31 0.00 0.00 39.34 37.76 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 -0.73 -1.71 3.56 2.72 0.00 -1.26 -4.22 105.19 103.54 1joq n GLY 55 Ca 0.58 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.17 1joq n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1joq s PRO 56 N -1.70 3.99 0.29 1.61 0.04 -1.26 -4.34 135.00 133.62 1joq s PRO 56 Ca 0.00 -2.06 0.00 0.00 0.04 0.00 0.00 61.00 58.98 1joq s PRO 56 Cb 0.00 -5.44 0.00 0.00 0.04 0.00 0.00 34.50 29.10 1joq s PRO 56 CO 0.00 -2.17 0.00 -1.91 0.04 0.00 0.00 177.00 172.96 1joq n GLU 57 N 7.93 0.00 0.07 4.56 0.00 -1.26 -4.86 120.64 127.08 1joq n GLU 57 Ca 0.46 0.00 0.18 0.00 0.00 0.00 0.00 57.16 57.80 1joq n GLU 57 Cb 0.46 0.00 0.70 0.00 0.00 0.00 0.00 31.44 32.60 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1joq h ALA 58 N 0.00 2.32 -0.56 4.31 0.00 -1.82 0.78 119.26 124.29 1joq h ALA 58 Ca 0.00 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1joq h ALA 58 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1joq h ALA 58 CO 0.00 -0.50 0.11 1.03 0.00 0.00 0.00 179.25 179.89 1joq h SER 59 N 0.00 0.84 0.64 0.00 0.87 -1.85 -2.41 113.55 111.63 1joq h SER 59 Ca 0.19 -0.17 -0.18 0.00 -1.23 0.00 0.00 61.79 60.40 1joq h SER 59 Cb 0.78 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1joq h SER 59 CO -0.00 0.84 -0.80 0.00 -0.53 0.00 0.00 176.83 176.33 1joq h ALA 60 N 1.27 0.65 0.04 6.23 0.00 -1.20 -1.96 119.26 124.28 1joq h ALA 60 Ca 0.18 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1joq h ALA 60 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1joq h ALA 60 CO 0.00 0.91 -0.02 0.35 0.00 0.00 0.00 179.25 180.50 1joq h PHE 61 N 0.07 -0.05 -0.24 0.00 3.04 -0.93 -2.70 116.94 116.13 1joq h PHE 61 Ca -0.02 -0.00 -0.14 0.00 3.98 0.00 0.00 57.97 61.79 1joq h PHE 61 Cb 1.40 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.92 1joq h PHE 61 CO 0.02 0.06 -0.42 1.15 -2.02 0.00 0.00 178.31 177.09 1joq h THR 62 N -0.15 1.30 -0.08 4.41 2.02 -1.49 -2.06 112.91 116.86 1joq h THR 62 Ca -0.01 -1.60 0.02 0.00 0.77 0.00 0.00 66.41 65.60 1joq h THR 62 Cb 0.13 1.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.06 1joq h THR 62 CO 0.01 0.51 -0.50 0.50 0.37 0.00 0.00 175.52 176.41 1joq h LYS 63 N 0.48 -0.54 -0.20 6.66 1.63 -1.11 -0.89 116.57 122.60 1joq h LYS 63 Ca 0.04 0.04 -0.09 0.00 -0.85 0.00 0.00 60.65 59.78 1joq h LYS 63 Cb 0.94 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.68 1joq h LYS 63 CO 0.08 -0.36 -0.28 0.87 -3.45 0.00 0.00 179.45 176.31 1joq h LYS 64 N -0.57 0.38 0.00 1.90 6.56 -1.52 -1.63 116.57 121.70 1joq h LYS 64 Ca 0.02 -0.15 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 1joq h LYS 64 Cb 0.64 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 1joq h LYS 64 CO -0.38 0.63 0.00 -0.12 -2.06 0.00 0.00 179.45 177.53 1joq n MET 65 N -4.11 0.00 0.13 3.15 1.56 -0.52 -1.26 117.12 116.07 1joq n MET 65 Ca -0.01 0.42 0.08 0.00 -0.27 0.00 0.00 57.70 57.92 1joq n MET 65 Cb 0.41 -1.31 0.56 0.00 2.15 0.00 0.00 33.22 35.03 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 1.01 -0.59 1.12 -1.51 -1.31 0.32 116.25 115.29 1joq h VAL 66 Ca 0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1joq h VAL 66 Cb 0.00 0.77 -0.03 0.00 -2.13 0.00 0.00 31.29 29.90 1joq h VAL 66 CO 0.00 0.04 0.38 -0.33 -1.23 0.00 0.00 177.57 176.43 1joq h GLU 67 N 0.22 0.79 -0.25 5.19 5.08 -1.12 -2.18 114.58 122.31 1joq h GLU 67 Ca 0.09 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1joq h GLU 67 Cb 0.08 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1joq h GLU 67 CO -0.02 0.53 0.00 0.09 -1.00 0.00 0.00 179.01 178.61 1joq n ASN 68 N -4.44 2.75 -4.63 1.42 3.02 -0.39 -4.95 115.26 108.04 1joq n ASN 68 Ca 0.06 -1.82 -0.43 0.00 -0.03 0.00 0.00 54.58 52.37 1joq n ASN 68 Cb 0.05 -0.16 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq s ALA 69 N -1.10 3.20 -0.23 5.41 0.00 0.10 -4.83 121.76 124.31 1joq s ALA 69 Ca 0.24 0.65 0.28 0.00 0.00 0.00 0.00 51.96 53.13 1joq s ALA 69 Cb 0.14 -3.90 1.13 0.00 0.00 0.00 0.00 23.12 20.49 1joq s ALA 69 CO 0.20 -2.08 1.83 0.87 0.00 0.00 0.00 175.76 176.58 1joq h LYS 70 N 11.61 0.00 -3.27 0.00 1.79 -1.89 -3.42 116.57 121.40 1joq h LYS 70 Ca -0.37 0.00 -0.29 0.00 -2.18 0.00 0.00 60.65 57.81 1joq h LYS 70 Cb 1.18 0.00 -0.35 0.00 -1.58 0.00 0.00 32.23 31.49 1joq h LYS 70 CO 0.99 0.00 -0.66 0.15 -1.08 0.00 0.00 179.45 178.85 1joq s LYS 71 N -3.46 0.02 -0.31 3.15 1.02 -1.26 -4.90 119.74 113.99 1joq s LYS 71 Ca 0.03 0.39 0.03 0.00 0.02 0.00 0.00 55.97 56.45 1joq s LYS 71 Cb 0.09 -0.27 0.09 0.00 -0.52 0.00 0.00 37.83 37.22 1joq s LYS 71 CO 0.47 -0.24 0.02 0.42 -0.92 0.00 0.00 175.35 175.11 1joq s ILE 72 N 1.65 2.01 -0.05 2.17 1.01 -1.26 -1.84 121.20 124.89 1joq s ILE 72 Ca -0.03 -2.01 0.04 0.00 0.00 0.00 0.00 60.65 58.65 1joq s ILE 72 Cb -0.12 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1joq s ILE 72 CO -0.05 -0.47 -0.16 -1.61 0.00 0.00 0.00 174.94 172.65 1joq s GLU 73 N 1.07 1.82 0.29 2.79 2.02 -1.00 -1.40 118.70 124.29 1joq s GLU 73 Ca 0.06 -0.56 0.04 0.00 0.02 0.00 0.00 54.97 54.53 1joq s GLU 73 Cb -0.19 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 1joq s GLU 73 CO -0.10 0.17 0.43 0.14 0.02 0.00 0.00 175.26 175.92 1joq s VAL 74 N 0.25 4.93 -0.34 2.63 -7.23 0.44 -1.37 120.40 119.70 1joq s VAL 74 Ca -0.08 -0.89 -0.01 0.00 -1.81 0.00 0.00 61.98 59.20 1joq s VAL 74 Cb -0.13 -3.75 0.12 0.00 0.56 0.00 0.00 36.38 33.18 1joq s VAL 74 CO 0.03 -0.33 0.17 -0.70 -0.31 0.00 0.00 175.10 173.96 1joq s GLU 75 N -4.10 0.66 0.31 4.82 2.12 -0.39 -1.41 118.70 120.72 1joq s GLU 75 Ca 0.38 -1.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.20 1joq s GLU 75 Cb -0.09 -1.65 -0.11 0.00 0.26 0.00 0.00 34.13 32.54 1joq s GLU 75 CO 0.31 -1.10 1.45 -0.06 -0.54 0.00 0.00 175.26 175.32 1joq s PHE 76 N 1.30 2.85 0.00 5.30 0.08 -1.26 -2.33 117.98 123.91 1joq s PHE 76 Ca 0.14 1.11 0.00 0.00 0.12 0.00 0.00 56.93 58.30 1joq s PHE 76 Cb -0.20 -3.90 0.00 0.00 -0.57 0.00 0.00 43.02 38.35 1joq s PHE 76 CO -0.14 -2.76 0.00 -3.47 -0.10 0.00 0.00 175.22 168.75 1joq n ASP 77 N 1.41 0.00 -0.42 1.36 2.03 -1.26 -4.84 116.55 114.83 1joq n ASP 77 Ca 0.04 -0.76 0.14 0.00 0.52 0.00 0.00 54.79 54.72 1joq n ASP 77 Cb 0.40 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.28 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1joq n LYS 78 N -0.76 1.44 0.00 -0.67 0.00 -1.26 -4.88 118.16 112.02 1joq n LYS 78 Ca 0.00 -0.84 0.00 0.00 -0.00 0.00 0.00 58.31 57.47 1joq n LYS 78 Cb 0.00 -1.48 0.00 0.00 -0.00 0.00 0.00 35.03 33.55 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 1.22 -0.03 3.76 2.58 0.00 -1.26 -4.93 105.19 106.53 1joq n GLY 79 Ca 0.17 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.11 1joq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1joq s GLN 80 N 0.60 3.48 0.00 1.61 -1.52 -1.26 -4.89 119.66 117.69 1joq s GLN 80 Ca 0.00 2.26 0.26 0.00 -1.95 0.00 0.00 55.36 55.94 1joq s GLN 80 Cb 0.00 -2.47 0.74 0.00 -0.22 0.00 0.00 33.01 31.06 1joq s GLN 80 CO 0.00 -0.93 1.58 -2.13 -0.25 0.00 0.00 175.29 173.56 1joq n ARG 81 N -0.55 0.01 -3.95 2.91 0.63 -1.26 -4.68 116.66 109.77 1joq n ARG 81 Ca 0.07 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.92 1joq n ARG 81 Cb 0.44 -1.51 -0.08 0.00 0.45 0.00 0.00 32.46 31.76 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1joq s THR 82 N -3.00 0.15 0.00 5.15 -4.23 -1.26 -2.08 115.64 110.37 1joq s THR 82 Ca 0.12 -1.41 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1joq s THR 82 Cb 0.18 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.54 1joq s THR 82 CO 0.64 -0.70 0.00 0.47 -0.54 0.00 0.00 174.62 174.50 1joq n ASP 83 N -0.03 0.08 0.23 3.99 8.00 -0.60 -4.87 116.55 123.34 1joq n ASP 83 Ca -0.13 -0.69 0.11 0.00 0.71 0.00 0.00 54.79 54.79 1joq n ASP 83 Cb 0.62 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 42.11 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1joq h LYS 84 N 0.00 0.00 -0.11 -1.24 2.10 -2.02 -2.70 116.57 112.59 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 0.15 0.00 0.66 -2.00 0.00 0.00 179.45 178.26 1joq n TYR 85 N -3.22 0.14 -2.05 0.07 4.01 -1.26 -4.89 117.16 109.96 1joq n TYR 85 Ca 0.01 -0.07 -0.03 0.00 -0.16 0.00 0.00 57.90 57.66 1joq n TYR 85 Cb 0.46 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.49 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 1.10 0.26 3.92 2.72 0.00 -1.02 -5.04 105.19 107.13 1joq n GLY 86 Ca 0.17 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 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 -4.13 3.49 -0.04 1.61 0.52 -1.26 -4.65 118.95 114.49 1joq s ARG 87 Ca 0.00 -0.40 -0.28 0.00 -0.52 0.00 0.00 55.73 54.53 1joq s ARG 87 Cb 0.00 -2.95 -0.03 0.00 0.52 0.00 0.00 34.95 32.49 1joq s ARG 87 CO 0.00 0.52 0.89 0.20 0.02 0.00 0.00 175.30 176.93 1joq s GLY 88 N -2.80 2.73 -0.29 -3.53 0.00 -0.66 -1.56 107.32 101.21 1joq s GLY 88 Ca 0.37 0.37 -0.10 0.00 0.00 0.00 0.00 44.72 45.36 1joq s GLY 88 CO 0.28 1.55 0.16 1.08 0.00 0.00 0.00 173.10 176.17 1joq s LEU 89 N 1.10 4.00 -0.08 0.66 1.43 -0.88 -1.81 118.68 123.09 1joq s LEU 89 Ca 0.46 -0.29 -0.32 0.00 -1.03 0.00 0.00 54.13 52.96 1joq s LEU 89 Cb -0.19 -2.04 0.12 0.00 0.03 0.00 0.00 46.19 44.10 1joq s LEU 89 CO 0.23 -0.12 1.04 0.00 0.23 0.00 0.00 176.35 177.73 1joq s ALA 90 N 1.67 -1.94 -0.16 4.21 0.00 -1.26 -4.35 121.76 119.94 1joq s ALA 90 Ca 0.06 1.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 1joq s ALA 90 Cb -0.16 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1joq s ALA 90 CO 0.08 -0.67 0.89 0.71 0.00 0.00 0.00 175.76 176.77 1joq s TYR 91 N -2.80 3.43 -0.03 0.00 2.02 -0.98 -4.28 117.35 114.72 1joq s TYR 91 Ca 0.07 1.35 -0.19 0.00 -0.37 0.00 0.00 57.07 57.93 1joq s TYR 91 Cb -0.01 -3.07 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 1joq s TYR 91 CO -0.07 -0.26 0.53 0.42 -1.57 0.00 0.00 175.55 174.60 1joq s ILE 92 N 2.22 4.99 -0.07 2.71 1.01 -1.26 -1.26 121.20 129.55 1joq s ILE 92 Ca 0.41 1.09 0.05 0.00 0.00 0.00 0.00 60.65 62.21 1joq s ILE 92 Cb -0.17 -3.86 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 1joq s ILE 92 CO 0.13 0.43 -0.24 -0.31 0.00 0.00 0.00 174.94 174.95 1joq s TYR 93 N -0.20 2.40 -0.08 3.97 2.02 -0.47 -1.51 117.35 123.48 1joq s TYR 93 Ca 0.28 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 56.22 1joq s TYR 93 Cb -0.17 -1.59 0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1joq s TYR 93 CO 0.15 -0.27 -0.17 0.00 -1.57 0.00 0.00 175.55 173.69 1joq s ALA 94 N -0.01 1.63 -1.47 3.71 0.00 -0.17 -2.37 121.76 123.08 1joq s ALA 94 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1joq s ALA 94 Cb -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.31 1joq s ALA 94 CO 0.05 0.19 0.00 -0.25 0.00 0.00 0.00 175.76 175.75 1joq n ASP 95 N 3.68 -4.67 0.00 0.00 8.00 -0.77 -1.37 116.55 121.42 1joq n ASP 95 Ca -0.21 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1joq n ASP 95 Cb 0.52 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 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 -1.25 0.43 3.57 0.44 0.00 -1.26 -4.95 105.19 102.17 1joq n GLY 96 Ca -0.14 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.41 1.88 -0.51 1.61 2.20 -0.47 -5.09 119.74 117.95 1joq s LYS 97 Ca 0.00 -1.90 -0.22 0.00 -0.36 0.00 0.00 55.97 53.49 1joq s LYS 97 Cb 0.00 -1.76 0.04 0.00 -1.51 0.00 0.00 37.83 34.61 1joq s LYS 97 CO 0.00 0.14 0.79 1.41 -0.36 0.00 0.00 175.35 177.32 1joq s MET 98 N -3.64 3.26 0.34 4.03 -2.45 -1.26 -0.99 119.30 118.58 1joq s MET 98 Ca 0.33 -0.48 0.08 0.00 -1.25 0.00 0.00 55.69 54.37 1joq s MET 98 Cb 0.02 -4.05 0.77 0.00 1.25 0.00 0.00 34.83 32.83 1joq s MET 98 CO 0.17 -1.31 1.84 0.28 1.05 0.00 0.00 175.02 177.05 1joq h VAL 99 N 5.95 0.81 -0.14 10.11 2.07 -1.60 -0.89 116.25 132.56 1joq h VAL 99 Ca -0.26 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.03 1joq h VAL 99 Cb 1.08 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1joq h VAL 99 CO 1.01 0.14 -0.07 0.78 0.02 0.00 0.00 177.57 179.45 1joq h ASN 100 N 0.74 -0.24 0.19 0.57 4.21 -1.91 -0.37 115.58 118.77 1joq h ASN 100 Ca 0.49 0.06 -0.02 0.00 1.21 0.00 0.00 56.30 58.04 1joq h ASN 100 Cb 0.76 0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1joq h ASN 100 CO -0.25 -0.10 -0.10 -0.08 -1.29 0.00 0.00 177.43 175.60 1joq h GLU 101 N -0.07 0.00 -0.04 0.81 4.81 -1.57 -2.17 114.58 116.34 1joq h GLU 101 Ca 0.08 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1joq h GLU 101 Cb 0.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1joq h GLU 101 CO -0.18 0.10 0.00 0.00 -0.73 0.00 0.00 179.01 178.21 1joq h ALA 102 N 1.90 0.06 -0.23 2.92 0.00 -0.32 0.48 119.26 124.08 1joq h ALA 102 Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1joq h ALA 102 Cb 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1joq h ALA 102 CO 0.01 -0.29 0.07 -0.07 0.00 0.00 0.00 179.25 178.98 1joq h LEU 103 N -0.19 0.33 -1.96 0.00 3.38 -1.01 -2.06 115.31 113.79 1joq h LEU 103 Ca 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1joq h LEU 103 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1joq h LEU 103 CO 0.00 0.44 -0.11 0.58 0.09 0.00 0.00 178.44 179.45 1joq h VAL 104 N 0.20 0.74 -0.00 1.22 2.07 -1.37 -1.35 116.25 117.76 1joq h VAL 104 Ca 0.07 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 67.02 1joq h VAL 104 Cb 0.23 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1joq h VAL 104 CO -0.00 0.10 -0.72 -0.09 0.02 0.00 0.00 177.57 176.88 1joq h ARG 105 N 0.00 0.03 -0.01 1.57 2.43 -0.26 -2.84 114.38 115.31 1joq h ARG 105 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1joq h ARG 105 Cb 0.24 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1joq h ARG 105 CO 0.01 0.73 -0.16 0.94 -1.51 0.00 0.00 179.97 179.99 1joq n GLN 106 N -3.70 0.93 -2.13 0.20 -0.06 -0.58 -4.86 117.38 107.17 1joq n GLN 106 Ca -0.01 -0.46 -0.09 0.00 -2.00 0.00 0.00 57.00 54.44 1joq n GLN 106 Cb 0.70 -1.49 -0.01 0.00 -4.06 0.00 0.00 30.24 25.38 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1joq n GLY 107 N 1.28 0.04 0.13 1.69 0.00 -0.79 -4.60 105.19 102.95 1joq n GLY 107 Ca 0.14 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.28 2.32 -4.84 0.99 4.77 -0.90 -3.47 117.00 114.59 1joq n LEU 108 Ca -0.11 0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 1joq n LEU 108 Cb 0.57 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 1joq n LEU 108 CO 0.12 0.65 -0.21 0.00 -1.33 0.00 0.00 177.39 176.63 1joq s ALA 109 N -2.49 3.77 -0.19 -1.18 0.00 -1.24 -4.61 121.76 115.83 1joq s ALA 109 Ca -0.33 -0.86 -0.05 0.00 0.00 0.00 0.00 51.96 50.72 1joq s ALA 109 Cb 0.10 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 1joq s ALA 109 CO 0.59 0.74 0.01 0.15 0.00 0.00 0.00 175.76 177.25 1joq s LYS 110 N -2.04 3.70 0.04 0.00 1.02 -1.05 -4.41 119.74 116.99 1joq s LYS 110 Ca 0.27 -0.49 -0.35 0.00 0.02 0.00 0.00 55.97 55.42 1joq s LYS 110 Cb -0.12 -3.08 -0.14 0.00 -0.52 0.00 0.00 37.83 33.97 1joq s LYS 110 CO 0.19 0.11 1.61 0.28 -0.92 0.00 0.00 175.35 176.62 1joq n VAL 111 N 3.97 0.17 -3.89 3.17 0.31 -1.26 -1.45 118.33 119.35 1joq n VAL 111 Ca -0.17 -0.03 -0.04 0.00 -0.01 0.00 0.00 64.34 64.09 1joq n VAL 111 Cb 0.52 -1.40 0.02 0.00 -0.91 0.00 0.00 33.84 32.08 1joq n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joq s ALA 112 N 1.81 -1.44 -1.35 3.52 0.00 -0.96 -4.83 121.76 118.51 1joq s ALA 112 Ca 0.86 -0.46 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 1joq s ALA 112 Cb -0.80 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.10 1joq s ALA 112 CO 0.46 -1.05 1.15 0.66 0.00 0.00 0.00 175.76 176.98 1joq n TYR 113 N -0.70 -2.81 -2.93 0.00 4.01 -1.26 -3.24 117.16 110.22 1joq n TYR 113 Ca -0.03 0.98 -0.44 0.00 -0.16 0.00 0.00 57.90 58.25 1joq n TYR 113 Cb 0.59 -4.96 -0.03 0.00 -0.31 0.00 0.00 39.34 34.63 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 -3.31 4.71 -0.22 -0.72 1.01 -1.26 -4.37 120.40 116.24 1joq s VAL 114 Ca 0.57 -1.46 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1joq s VAL 114 Cb -0.25 -4.75 0.03 0.00 0.00 0.00 0.00 36.38 31.41 1joq s VAL 114 CO 0.70 -1.48 -0.13 -0.31 0.00 0.00 0.00 175.10 173.88 1joq s TYR 115 N 2.76 3.00 0.83 5.22 2.02 -1.26 -5.03 117.35 124.89 1joq s TYR 115 Ca 0.31 -1.77 -0.13 0.00 -0.37 0.00 0.00 57.07 55.10 1joq s TYR 115 Cb -0.07 -1.97 0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1joq s TYR 115 CO -0.07 -0.80 1.08 0.36 -1.57 0.00 0.00 175.55 174.55 1joq n LYS 116 N 4.59 0.05 -0.17 -0.62 2.85 -1.26 -1.21 118.16 122.39 1joq n LYS 116 Ca -0.18 0.09 0.02 0.00 -1.05 0.00 0.00 58.31 57.20 1joq n LYS 116 Cb 0.47 -2.34 0.09 0.00 -0.65 0.00 0.00 35.03 32.61 1joq n LYS 116 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1joq n PRO 117 N -3.11 1.76 -1.86 -1.58 -0.04 -1.26 -4.97 135.00 123.94 1joq n PRO 117 Ca 0.13 -0.74 -0.41 0.00 -0.04 0.00 0.00 63.50 62.43 1joq n PRO 117 Cb 0.51 -1.47 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.11 6.08 -0.60 3.54 3.02 -0.35 -4.04 115.26 123.02 1joq n ASN 118 Ca 0.07 -2.92 -0.01 0.00 -0.03 0.00 0.00 54.58 51.69 1joq n ASN 118 Cb 0.36 -1.53 -0.01 0.00 -0.61 0.00 0.00 39.78 37.99 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 4.07 -0.07 -0.08 6.41 0.23 -1.26 -4.20 115.26 120.37 1joq n ASN 119 Ca 0.56 -1.38 0.16 0.00 -0.53 0.00 0.00 54.58 53.39 1joq n ASN 119 Cb 0.32 -0.03 0.58 0.00 -2.08 0.00 0.00 39.78 38.57 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 5.55 0.80 -1.47 5.53 2.02 -1.98 -0.89 112.91 122.47 1joq h THR 120 Ca -0.07 -0.08 -0.66 0.00 0.77 0.00 0.00 66.41 66.36 1joq h THR 120 Cb 1.18 0.53 -0.35 0.00 -1.74 0.00 0.00 68.15 67.77 1joq h THR 120 CO -0.03 0.04 0.18 1.41 0.37 0.00 0.00 175.52 177.50 1joq n HIS 121 N -4.44 3.12 -0.00 3.16 8.25 -1.26 -4.62 115.22 119.43 1joq n HIS 121 Ca 0.11 -2.68 -0.15 0.00 -0.26 0.00 0.00 57.72 54.74 1joq n HIS 121 Cb 0.52 -0.76 -0.14 0.00 1.12 0.00 0.00 29.99 30.73 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 2.55 0.14 -0.63 -0.41 4.22 -1.53 -3.34 114.58 115.59 1joq h GLU 122 Ca 0.46 -0.25 -0.04 0.00 0.08 0.00 0.00 59.36 59.62 1joq h GLU 122 Cb 0.69 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 1joq h GLU 122 CO 1.18 0.88 0.24 1.96 -2.18 0.00 0.00 179.01 181.09 1joq h GLN 123 N 0.04 0.95 0.54 1.92 4.20 -1.82 -0.02 115.11 120.92 1joq h GLN 123 Ca -0.35 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.16 1joq h GLN 123 Cb 2.03 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.64 1joq h GLN 123 CO 0.09 0.81 -0.42 1.25 -0.67 0.00 0.00 178.83 179.89 1joq h LEU 124 N 0.89 -1.10 -2.22 1.46 5.85 -1.91 -1.26 115.31 117.01 1joq h LEU 124 Ca 0.21 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1joq h LEU 124 Cb 0.22 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1joq h LEU 124 CO -0.02 -0.61 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.35 1joq h LEU 125 N -0.94 0.00 0.34 2.25 3.38 -1.66 -2.76 115.31 115.93 1joq h LEU 125 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1joq h LEU 125 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1joq h LEU 125 CO 0.00 0.06 -0.16 -0.09 0.09 0.00 0.00 178.44 178.34 1joq h ARG 126 N 0.00 -0.44 -0.79 1.13 2.43 0.18 -1.14 114.38 115.76 1joq h ARG 126 Ca -0.00 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1joq h ARG 126 Cb 0.21 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 1joq h ARG 126 CO 0.01 -0.23 0.30 1.57 -1.51 0.00 0.00 179.97 180.11 1joq h LYS 127 N -0.56 1.18 0.00 0.20 2.10 -1.18 -1.60 116.57 116.72 1joq h LYS 127 Ca -0.05 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 1joq h LYS 127 Cb 0.41 -0.19 -0.00 0.00 -0.90 0.00 0.00 32.23 31.55 1joq h LYS 127 CO 0.08 0.97 -0.03 0.77 -2.00 0.00 0.00 179.45 179.24 1joq h SER 128 N 1.15 0.00 0.22 7.07 0.02 -1.31 -1.80 113.55 118.89 1joq h SER 128 Ca 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 1joq h SER 128 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1joq h SER 128 CO -0.02 0.03 -0.10 -0.08 -1.14 0.00 0.00 176.83 175.52 1joq h GLU 129 N 0.00 -0.28 -1.01 3.45 4.57 -0.24 -2.46 114.58 118.61 1joq h GLU 129 Ca -0.00 0.02 0.25 0.00 -1.18 0.00 0.00 59.36 58.45 1joq h GLU 129 Cb 0.06 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 28.59 1joq h GLU 129 CO 0.00 -0.06 0.61 0.00 -1.18 0.00 0.00 179.01 178.38 1joq h ALA 130 N -0.86 1.86 -0.64 2.92 0.00 -1.24 0.52 119.26 121.81 1joq h ALA 130 Ca -0.03 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1joq h ALA 130 Cb 0.35 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1joq h ALA 130 CO 0.05 -0.33 0.10 0.37 0.00 0.00 0.00 179.25 179.44 1joq h GLN 131 N 0.55 1.07 -0.21 0.00 4.15 -1.37 -2.08 115.11 117.22 1joq h GLN 131 Ca 0.64 -0.29 -0.03 0.00 0.77 0.00 0.00 58.65 59.74 1joq h GLN 131 Cb 1.28 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.83 1joq h GLN 131 CO -0.45 0.99 0.00 0.00 -1.93 0.00 0.00 178.83 177.45 1joq h ALA 132 N 1.04 1.62 -0.15 3.38 0.00 0.48 0.34 119.26 125.97 1joq h ALA 132 Ca 0.19 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1joq h ALA 132 Cb 0.44 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1joq h ALA 132 CO 0.01 0.28 -0.55 0.87 0.00 0.00 0.00 179.25 179.87 1joq h LYS 133 N 0.30 0.45 0.00 0.00 1.57 -0.59 -0.56 116.57 117.74 1joq h LYS 133 Ca 0.07 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1joq h LYS 133 Cb 0.20 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1joq h LYS 133 CO 0.00 0.88 -0.00 0.87 -0.57 0.00 0.00 179.45 180.64 1joq h LYS 134 N 0.35 0.00 0.00 3.15 1.79 -0.68 -3.11 116.57 118.07 1joq h LYS 134 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1joq h LYS 134 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1joq h LYS 134 CO 0.10 0.00 -1.02 0.39 -1.08 0.00 0.00 179.45 177.84 1joq n GLU 135 N -2.49 0.16 -3.75 3.15 -0.58 0.02 -4.99 120.64 112.17 1joq n GLU 135 Ca 0.05 -0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.47 1joq n GLU 135 Cb 0.46 -1.53 0.02 0.00 -0.57 0.00 0.00 31.44 29.81 1joq n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1joq n LYS 136 N -1.72 -1.08 -3.94 3.49 5.02 -0.25 -4.86 118.16 114.82 1joq n LYS 136 Ca 0.03 0.57 -0.35 0.00 -2.02 0.00 0.00 58.31 56.54 1joq n LYS 136 Cb 0.39 -3.32 -0.10 0.00 -0.02 0.00 0.00 35.03 31.98 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1joq s LEU 137 N -5.96 3.82 0.00 -0.35 0.20 -1.24 -3.31 118.68 111.84 1joq s LEU 137 Ca 0.28 0.06 0.00 0.00 0.69 0.00 0.00 54.13 55.15 1joq s LEU 137 Cb -0.12 -1.98 0.00 0.00 -0.43 0.00 0.00 46.19 43.66 1joq s LEU 137 CO 0.89 0.14 0.00 0.59 -0.29 0.00 0.00 176.35 177.68 1joq n ASN 138 N 3.76 0.00 0.35 3.68 3.02 -1.26 -1.59 115.26 123.22 1joq n ASN 138 Ca -0.16 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.21 1joq n ASN 138 Cb 0.52 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1joq h ILE 139 N 0.00 0.16 0.00 2.41 2.04 -1.90 -1.24 117.51 118.97 1joq h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1joq h ILE 139 Cb 0.00 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1joq h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1joq n TRP 140 N -5.55 0.00 -1.78 1.37 7.02 -0.62 -3.75 117.44 114.14 1joq n TRP 140 Ca -0.13 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.01 1joq n TRP 140 Cb 0.43 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 29.22 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 -1.07 7.37 -4.82 -0.99 2.88 -0.47 -4.10 113.62 112.42 1joq n SER 141 Ca 0.12 -3.16 -0.31 0.00 -1.33 0.00 0.00 58.87 54.19 1joq n SER 141 Cb 0.08 -1.31 0.06 0.00 -0.75 0.00 0.00 64.21 62.29 1joq n SER 141 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1joq s GLU 142 N -1.36 2.67 0.00 -1.46 2.02 -1.25 -4.79 118.70 114.53 1joq s GLU 142 Ca 0.56 0.77 0.00 0.00 0.02 0.00 0.00 54.97 56.32 1joq s GLU 142 Cb 0.27 -1.97 0.00 0.00 0.10 0.00 0.00 34.13 32.52 1joq s GLU 142 CO -0.15 -1.24 0.00 -0.25 0.02 0.00 0.00 175.26 173.64 1joq n ASP 143 N -3.20 0.00 -1.37 -0.19 9.92 -1.26 -4.93 116.55 115.53 1joq n ASP 143 Ca 0.07 -0.99 0.18 0.00 -0.53 0.00 0.00 54.79 53.53 1joq n ASP 143 Cb 0.55 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.98 1joq n ASP 143 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1joq n ASN 144 N -2.97 -8.11 -1.96 -2.24 5.15 -1.26 -4.71 115.26 99.16 1joq n ASN 144 Ca 0.00 0.58 -0.09 0.00 -0.60 0.00 0.00 54.58 54.47 1joq n ASN 144 Cb 0.00 -4.19 -0.02 0.00 -0.53 0.00 0.00 39.78 35.04 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1joq n ALA 145 N -2.26 -0.55 -1.20 5.20 0.00 -1.26 -4.75 120.51 115.69 1joq n ALA 145 Ca 0.01 0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1joq n ALA 145 Cb 0.66 -1.13 0.22 0.00 0.00 0.00 0.00 19.45 19.20 1joq n ALA 145 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1joq n ASP 146 N -1.01 3.17 -2.63 0.00 5.68 -1.26 -5.03 116.55 115.46 1joq n ASP 146 Ca -0.10 -3.35 -0.04 0.00 -0.50 0.00 0.00 54.79 50.80 1joq n ASP 146 Cb 0.46 -0.58 -0.03 0.00 -1.14 0.00 0.00 41.12 39.83 1joq n ASP 146 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 1joq n SER 147 N -0.85 -3.18 0.00 -1.12 2.88 -1.26 -5.00 113.62 105.09 1joq n SER 147 Ca 0.26 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 59.14 1joq n SER 147 Cb 0.95 -4.31 0.00 0.00 -0.75 0.00 0.00 64.21 60.09 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1joq n GLY 148 N 1.93 -0.62 3.90 0.46 0.00 -1.26 -5.17 105.19 104.44 1joq n GLY 148 Ca -0.26 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26