#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 2.61 -0.92 0.00 5.66 -1.26 -5.05 114.28 115.32 1joq n THR 2 Ca 0.00 -3.88 -0.29 0.00 -3.05 0.00 0.00 64.05 56.84 1joq n THR 2 Cb 0.00 -0.98 0.22 0.00 -1.55 0.00 0.00 70.33 68.02 1joq n THR 2 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1joq s SER 3 N -3.31 1.46 -0.24 1.09 0.15 -1.26 -5.00 113.70 106.59 1joq s SER 3 Ca 0.50 1.12 0.13 0.00 0.70 0.00 0.00 55.95 58.40 1joq s SER 3 Cb 0.42 -1.72 0.35 0.00 -1.71 0.00 0.00 66.02 63.36 1joq s SER 3 CO 0.02 -3.85 1.35 1.07 1.20 0.00 0.00 173.24 173.03 1joq n THR 4 N -4.64 0.22 -0.23 6.45 5.66 -1.26 -5.13 114.28 115.35 1joq n THR 4 Ca 0.06 -1.15 0.00 0.00 -3.05 0.00 0.00 64.05 59.92 1joq n THR 4 Cb 0.57 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.31 1joq n THR 4 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1joq n LYS 5 N -0.98 0.00 -0.59 1.09 2.85 -1.26 -4.97 118.16 114.30 1joq n LYS 5 Ca -0.14 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.12 1joq n LYS 5 Cb 0.85 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.23 1joq n LYS 5 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1joq n LYS 6 N 0.34 -0.53 0.00 -1.58 4.81 -1.26 -5.05 118.16 114.90 1joq n LYS 6 Ca 0.00 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.22 1joq n LYS 6 Cb 0.00 -0.41 0.00 0.00 0.02 0.00 0.00 35.03 34.64 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 0.11 0.00 -4.39 3.14 4.77 -1.26 -5.03 117.00 114.34 1joq n LEU 7 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.63 1joq n LEU 7 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1joq n LEU 7 CO 0.00 -0.27 -0.34 -2.28 -1.33 0.00 0.00 177.39 173.16 1joq s HIS 8 N -0.45 3.01 -0.23 -1.77 2.46 -1.26 -5.08 115.29 111.97 1joq s HIS 8 Ca 0.00 -0.64 -0.12 0.00 0.47 0.00 0.00 55.06 54.77 1joq s HIS 8 Cb 0.00 -2.12 -0.05 0.00 -0.13 0.00 0.00 32.58 30.28 1joq s HIS 8 CO 0.00 -0.39 0.24 0.15 -2.47 0.00 0.00 174.74 172.27 1joq s LYS 9 N 1.31 4.09 0.38 2.88 1.02 -1.26 -4.26 119.74 123.90 1joq s LYS 9 Ca 0.04 -0.13 0.08 0.00 0.02 0.00 0.00 55.97 55.98 1joq s LYS 9 Cb -0.15 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.58 1joq s LYS 9 CO 0.00 0.00 0.26 -1.21 -0.92 0.00 0.00 175.35 173.49 1joq s GLU 10 N 1.21 2.48 0.79 1.68 8.01 -0.53 -4.92 118.70 127.42 1joq s GLU 10 Ca 0.11 -1.54 -0.12 0.00 0.01 0.00 0.00 54.97 53.44 1joq s GLU 10 Cb -0.14 -2.28 0.06 0.00 -4.31 0.00 0.00 34.13 27.46 1joq s GLU 10 CO 0.06 -0.04 1.12 -1.25 0.01 0.00 0.00 175.26 175.16 1joq s PRO 11 N -3.99 2.16 0.14 0.39 0.04 -1.26 -0.90 135.00 131.57 1joq s PRO 11 Ca 0.43 0.45 -0.24 0.00 0.04 0.00 0.00 61.00 61.67 1joq s PRO 11 Cb -0.02 -1.94 0.07 0.00 0.04 0.00 0.00 34.50 32.64 1joq s PRO 11 CO 0.25 -1.53 0.69 0.00 0.04 0.00 0.00 177.00 176.46 1joq s ALA 12 N -3.31 -1.60 0.20 8.56 0.00 0.18 -4.48 121.76 121.31 1joq s ALA 12 Ca 0.61 0.47 0.10 0.00 0.00 0.00 0.00 51.96 53.13 1joq s ALA 12 Cb -0.13 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1joq s ALA 12 CO 0.52 -0.81 -0.19 0.99 0.00 0.00 0.00 175.76 176.28 1joq s THR 13 N -3.62 2.02 -0.82 0.00 2.01 -0.65 -4.12 115.64 110.46 1joq s THR 13 Ca 0.04 -2.07 -0.20 0.00 0.31 0.00 0.00 61.69 59.78 1joq s THR 13 Cb -0.02 -2.00 0.12 0.00 0.01 0.00 0.00 72.50 70.60 1joq s THR 13 CO -0.09 -0.33 1.02 -0.22 -0.69 0.00 0.00 174.62 174.31 1joq s LEU 14 N -2.91 4.99 -0.04 4.42 1.98 -1.26 -1.25 118.68 124.62 1joq s LEU 14 Ca 0.20 -1.73 -0.06 0.00 -2.89 0.00 0.00 54.13 49.65 1joq s LEU 14 Cb -0.05 -2.39 -0.03 0.00 0.66 0.00 0.00 46.19 44.38 1joq s LEU 14 CO 0.09 -1.15 0.34 0.40 -1.89 0.00 0.00 176.35 174.14 1joq h ILE 15 N 5.84 0.00 -0.78 6.68 2.04 -1.56 -3.47 117.51 126.26 1joq h ILE 15 Ca -0.01 -0.49 0.15 0.00 1.00 0.00 0.00 64.86 65.51 1joq h ILE 15 Cb 1.04 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 36.91 1joq h ILE 15 CO 1.11 0.00 -0.10 -0.75 0.00 0.00 0.00 178.15 178.41 1joq s LYS 16 N -2.26 0.42 0.76 2.37 2.20 -1.01 -5.03 119.74 117.20 1joq s LYS 16 Ca -0.03 0.76 -0.13 0.00 -0.36 0.00 0.00 55.97 56.21 1joq s LYS 16 Cb 0.00 0.43 0.06 0.00 -1.51 0.00 0.00 37.83 36.81 1joq s LYS 16 CO 0.10 -0.44 1.16 0.00 -0.36 0.00 0.00 175.35 175.82 1joq s ALA 17 N 2.88 2.05 0.00 3.13 0.00 -1.26 -2.49 121.76 126.07 1joq s ALA 17 Ca 0.11 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.76 1joq s ALA 17 Cb -0.13 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1joq s ALA 17 CO -0.17 -1.96 0.00 -0.89 0.00 0.00 0.00 175.76 172.74 1joq n ILE 18 N -3.10 0.00 -1.07 0.00 5.41 -0.11 -4.84 119.36 115.65 1joq n ILE 18 Ca 0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1joq n ILE 18 Cb 0.51 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 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 -1.32 0.00 0.11 4.38 8.00 -0.56 -4.97 116.55 122.19 1joq n ASP 19 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1joq n ASP 19 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 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 0.00 0.44 0.00 -1.75 -3.38 103.07 98.38 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 2.09 0.00 0.00 0.00 176.54 178.63 1joq n ASP 21 N -2.68 0.41 -4.27 0.19 5.68 -1.26 -4.57 116.55 110.05 1joq n ASP 21 Ca 0.00 -0.75 -0.36 0.00 -0.50 0.00 0.00 54.79 53.18 1joq n ASP 21 Cb 0.55 0.24 -0.14 0.00 -1.14 0.00 0.00 41.12 40.63 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1joq s THR 22 N -0.24 3.39 -0.03 2.12 2.01 -1.26 -1.67 115.64 119.97 1joq s THR 22 Ca 0.00 -0.81 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 1joq s THR 22 Cb 0.00 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.81 1joq s THR 22 CO 0.00 0.18 0.06 0.68 -0.69 0.00 0.00 174.62 174.86 1joq s VAL 23 N 1.42 -0.01 -0.24 3.82 -7.23 -1.01 -0.94 120.40 116.21 1joq s VAL 23 Ca 0.02 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 60.06 1joq s VAL 23 Cb -0.16 -0.11 -0.03 0.00 0.56 0.00 0.00 36.38 36.64 1joq s VAL 23 CO -0.01 0.02 0.51 -0.54 -0.31 0.00 0.00 175.10 174.76 1joq s LYS 24 N 0.28 4.11 0.26 4.82 1.02 -1.04 -1.55 119.74 127.64 1joq s LYS 24 Ca -0.02 0.34 0.09 0.00 0.02 0.00 0.00 55.97 56.40 1joq s LYS 24 Cb -0.03 -3.62 -0.05 0.00 -0.52 0.00 0.00 37.83 33.60 1joq s LYS 24 CO -0.01 -0.28 -0.13 -0.51 -0.92 0.00 0.00 175.35 173.50 1joq s LEU 25 N 2.07 2.57 -0.27 3.17 1.43 -0.90 -1.41 118.68 125.35 1joq s LEU 25 Ca 0.22 -1.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.06 1joq s LEU 25 Cb -0.16 -0.82 -0.03 0.00 0.03 0.00 0.00 46.19 45.21 1joq s LEU 25 CO 0.09 -0.17 0.44 -0.32 0.23 0.00 0.00 176.35 176.63 1joq s MET 26 N -3.63 4.02 -0.18 1.70 1.75 -0.38 -2.50 119.30 120.08 1joq s MET 26 Ca 0.28 0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.88 1joq s MET 26 Cb -0.00 -3.66 0.04 0.00 2.84 0.00 0.00 34.83 34.05 1joq s MET 26 CO 0.12 -0.32 -0.09 -0.47 -0.65 0.00 0.00 175.02 173.60 1joq s TYR 27 N 2.19 2.15 -0.84 4.11 5.04 -0.82 -1.64 117.35 127.55 1joq s TYR 27 Ca 0.18 -1.38 0.00 0.00 -2.44 0.00 0.00 57.07 53.43 1joq s TYR 27 Cb -0.16 -1.53 0.00 0.00 0.35 0.00 0.00 41.96 40.63 1joq s TYR 27 CO 0.10 -0.69 0.00 1.63 -1.34 0.00 0.00 175.55 175.24 1joq n LYS 28 N 4.76 -1.08 -0.04 4.97 4.01 -1.26 -1.57 118.16 127.95 1joq n LYS 28 Ca -0.14 0.70 0.00 0.00 -0.51 0.00 0.00 58.31 58.36 1joq n LYS 28 Cb 0.47 -4.73 0.00 0.00 -0.51 0.00 0.00 35.03 30.27 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 -0.96 0.80 3.49 0.72 0.00 -1.26 -5.03 105.19 102.95 1joq n GLY 29 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.72 3.73 -0.04 1.61 -0.44 -0.61 -5.06 119.66 118.12 1joq s GLN 30 Ca 0.00 -0.44 -0.30 0.00 -2.50 0.00 0.00 55.36 52.12 1joq s GLN 30 Cb 0.00 -3.46 -0.03 0.00 -1.64 0.00 0.00 33.01 27.88 1joq s GLN 30 CO 0.00 -0.20 1.16 -1.25 0.50 0.00 0.00 175.29 175.49 1joq s PRO 31 N 1.66 4.39 0.06 1.67 0.04 -1.26 -1.94 135.00 139.62 1joq s PRO 31 Ca 0.06 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 1joq s PRO 31 Cb -0.16 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 1joq s PRO 31 CO 0.06 -0.37 0.08 -1.64 0.04 0.00 0.00 177.00 175.17 1joq s MET 32 N 1.89 0.66 -0.39 4.56 -1.94 -1.04 -4.99 119.30 118.05 1joq s MET 32 Ca 0.55 -0.96 -0.18 0.00 -1.71 0.00 0.00 55.69 53.39 1joq s MET 32 Cb -0.24 0.25 0.01 0.00 2.01 0.00 0.00 34.83 36.86 1joq s MET 32 CO 0.23 -0.16 0.47 0.99 -0.01 0.00 0.00 175.02 176.54 1joq s THR 33 N -3.36 5.05 0.21 2.05 2.01 -1.26 -2.12 115.64 118.22 1joq s THR 33 Ca 0.01 -0.03 -0.07 0.00 0.31 0.00 0.00 61.69 61.92 1joq s THR 33 Cb 0.03 -4.00 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 1joq s THR 33 CO -0.08 -0.33 0.49 -0.36 -0.69 0.00 0.00 174.62 173.65 1joq s PHE 34 N 2.28 3.45 -0.07 4.92 0.08 -0.59 -1.73 117.98 126.31 1joq s PHE 34 Ca 0.15 0.71 0.03 0.00 0.12 0.00 0.00 56.93 57.94 1joq s PHE 34 Cb -0.16 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 1joq s PHE 34 CO 0.14 0.30 -0.14 1.03 -0.10 0.00 0.00 175.22 176.45 1joq s ARG 35 N -2.93 1.95 0.07 0.44 1.81 -0.91 -2.41 118.95 116.98 1joq s ARG 35 Ca 0.44 -0.50 -0.37 0.00 -1.72 0.00 0.00 55.73 53.59 1joq s ARG 35 Cb -0.11 -1.58 -0.17 0.00 -0.45 0.00 0.00 34.95 32.64 1joq s ARG 35 CO 0.24 0.05 1.29 1.28 -0.68 0.00 0.00 175.30 177.48 1joq n LEU 36 N 3.79 1.35 -4.86 2.53 4.77 -0.67 -4.21 117.00 119.71 1joq n LEU 36 Ca -0.22 1.13 -0.34 0.00 -0.03 0.00 0.00 56.01 56.55 1joq n LEU 36 Cb 0.52 -1.14 -0.06 0.00 -2.33 0.00 0.00 43.42 40.41 1joq n LEU 36 CO 0.26 -1.20 0.23 -0.76 -1.33 0.00 0.00 177.39 174.58 1joq s LEU 37 N 0.40 4.26 0.00 2.23 1.43 -1.26 -3.96 118.68 121.78 1joq s LEU 37 Ca 0.85 1.01 0.00 0.00 -1.03 0.00 0.00 54.13 54.96 1joq s LEU 37 Cb -1.01 -3.46 0.00 0.00 0.03 0.00 0.00 46.19 41.75 1joq s LEU 37 CO 0.49 0.02 0.00 0.18 0.23 0.00 0.00 176.35 177.27 1joq n LEU 38 N 0.36 0.65 -4.18 1.79 4.77 -1.26 -4.94 117.00 114.20 1joq n LEU 38 Ca -0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1joq n LEU 38 Cb 0.52 -1.66 -0.09 0.00 -2.33 0.00 0.00 43.42 39.86 1joq n LEU 38 CO 0.44 -0.59 -0.15 0.68 -1.33 0.00 0.00 177.39 176.44 1joq s VAL 39 N -1.47 0.00 -0.29 4.08 -7.23 -1.23 -2.09 120.40 112.17 1joq s VAL 39 Ca 0.00 -1.90 -0.14 0.00 -1.81 0.00 0.00 61.98 58.14 1joq s VAL 39 Cb 0.00 -2.46 0.14 0.00 0.56 0.00 0.00 36.38 34.61 1joq s VAL 39 CO 0.00 0.00 0.84 -0.62 -0.31 0.00 0.00 175.10 175.01 1joq s ASP 40 N -3.17 -0.78 0.48 4.85 -1.08 -0.27 -4.63 116.67 112.07 1joq s ASP 40 Ca 0.36 1.13 -0.21 0.00 -0.52 0.00 0.00 52.55 53.32 1joq s ASP 40 Cb 0.05 1.70 -0.08 0.00 -1.46 0.00 0.00 42.92 43.13 1joq s ASP 40 CO 0.14 -0.17 1.06 0.42 0.52 0.00 0.00 175.17 177.14 1joq s THR 41 N 2.21 3.65 -1.42 1.71 -4.23 -1.26 -2.51 115.64 113.79 1joq s THR 41 Ca -0.06 1.07 -0.14 0.00 -1.18 0.00 0.00 61.69 61.38 1joq s THR 41 Cb -0.07 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.32 1joq s THR 41 CO -0.18 -0.18 2.29 -0.81 -0.54 0.00 0.00 174.62 175.21 1joq n PRO 42 N -0.85 2.83 -0.33 3.99 -0.04 -1.26 -4.78 135.00 134.57 1joq n PRO 42 Ca 0.09 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 1joq n PRO 42 Cb 0.52 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.85 0.00 -1.57 0.54 2.13 -1.26 -4.52 120.64 121.81 1joq n GLU 43 Ca 0.55 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.26 1joq n GLU 43 Cb 0.37 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.04 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1joq n THR 44 N 0.99 -0.12 0.00 6.31 -2.24 -1.26 -4.80 114.28 113.16 1joq n THR 44 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1joq n THR 44 Cb 0.00 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.09 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 -1.95 0.00 -2.09 -0.78 5.02 -1.26 -4.87 118.16 112.23 1joq n LYS 45 Ca -0.11 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.80 1joq n LYS 45 Cb 0.41 -0.29 -0.03 0.00 -0.02 0.00 0.00 35.03 35.10 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1joq s HIS 46 N -0.26 2.37 0.09 2.13 3.76 -1.26 -4.88 115.29 117.22 1joq s HIS 46 Ca 0.00 0.46 -0.00 0.00 -0.15 0.00 0.00 55.06 55.37 1joq s HIS 46 Cb 0.00 -3.82 -0.26 0.00 1.11 0.00 0.00 32.58 29.62 1joq s HIS 46 CO 0.00 -3.28 1.17 -1.00 -0.85 0.00 0.00 174.74 170.78 1joq h PRO 47 N 8.75 0.17 0.00 8.40 0.13 -1.95 -2.80 132.00 144.70 1joq h PRO 47 Ca -0.38 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.46 1joq h PRO 47 Cb 1.17 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1joq h PRO 47 CO 0.94 1.13 0.00 1.63 -0.23 0.00 0.00 178.00 181.47 1joq n LYS 48 N -3.46 0.00 -0.05 0.86 5.02 -1.26 -4.43 118.16 114.84 1joq n LYS 48 Ca -0.06 0.01 -0.03 0.00 -2.02 0.00 0.00 58.31 56.21 1joq n LYS 48 Cb 1.00 -0.52 -0.15 0.00 -0.02 0.00 0.00 35.03 35.34 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1joq n LYS 49 N -0.02 0.67 0.00 1.97 3.00 -1.26 -5.10 118.16 117.42 1joq n LYS 49 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1joq n LYS 49 Cb 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 35.03 33.46 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 1.56 -3.23 4.00 3.14 0.00 -1.06 -4.99 105.19 104.62 1joq n GLY 50 Ca -0.21 -1.83 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 1joq n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joq s VAL 51 N -0.91 2.88 0.00 1.61 1.01 -1.26 -4.89 120.40 118.84 1joq s VAL 51 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1joq s VAL 51 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1joq s VAL 51 CO 0.00 0.00 0.11 -1.84 0.00 0.00 0.00 175.10 173.37 1joq n GLU 52 N -2.02 4.73 -2.42 2.72 0.28 -1.26 -4.65 120.64 118.03 1joq n GLU 52 Ca 0.08 -0.11 -0.43 0.00 -0.16 0.00 0.00 57.16 56.54 1joq n GLU 52 Cb 0.59 -0.58 -0.02 0.00 1.43 0.00 0.00 31.44 32.86 1joq n GLU 52 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1joq s LYS 53 N -0.71 3.54 -0.48 3.44 3.01 -1.26 -3.74 119.74 123.55 1joq s LYS 53 Ca 0.00 0.74 -0.03 0.00 -1.01 0.00 0.00 55.97 55.66 1joq s LYS 53 Cb 0.00 -4.02 0.03 0.00 -1.01 0.00 0.00 37.83 32.83 1joq s LYS 53 CO 0.00 -1.61 0.10 0.66 0.51 0.00 0.00 175.35 175.00 1joq n TYR 54 N 8.78 -1.80 0.11 3.18 4.01 -1.26 -4.78 117.16 125.41 1joq n TYR 54 Ca 0.15 0.11 -0.10 0.00 -0.16 0.00 0.00 57.90 57.90 1joq n TYR 54 Cb 0.48 -1.54 -0.06 0.00 -0.31 0.00 0.00 39.34 37.92 1joq n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1joq h GLY 55 N -0.16 -0.37 2.00 2.72 0.00 -1.79 -3.20 103.07 102.26 1joq h GLY 55 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1joq h GLY 55 CO 0.19 -0.13 0.00 -1.55 0.00 0.00 0.00 176.54 175.05 1joq n PRO 56 N -5.02 0.10 -0.03 4.80 -0.04 -1.26 -3.01 135.00 130.54 1joq n PRO 56 Ca -0.07 0.14 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 1joq n PRO 56 Cb 0.24 -1.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 1joq n PRO 56 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1joq h GLU 57 N 0.00 0.10 0.05 0.54 4.57 -1.92 -2.50 114.58 115.41 1joq h GLU 57 Ca 0.00 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1joq h GLU 57 Cb 0.53 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1joq h GLU 57 CO 0.00 0.70 -0.02 0.00 -1.18 0.00 0.00 179.01 178.51 1joq h ALA 58 N 0.40 -0.06 -0.59 2.92 0.00 -1.61 -0.21 119.26 120.11 1joq h ALA 58 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.72 1joq h ALA 58 Cb 0.71 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 1joq h ALA 58 CO 0.02 -0.20 -0.26 1.03 0.00 0.00 0.00 179.25 179.83 1joq h SER 59 N -0.73 -0.92 0.70 0.00 0.87 -1.66 0.41 113.55 112.21 1joq h SER 59 Ca -0.01 0.21 -0.10 0.00 -1.23 0.00 0.00 61.79 60.66 1joq h SER 59 Cb 0.62 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1joq h SER 59 CO 0.01 -0.27 -0.47 0.00 -0.53 0.00 0.00 176.83 175.57 1joq h ALA 60 N 1.23 1.03 0.41 6.23 0.00 -1.51 -1.76 119.26 124.89 1joq h ALA 60 Ca 0.26 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1joq h ALA 60 Cb 0.52 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1joq h ALA 60 CO -0.66 0.59 -0.29 0.35 0.00 0.00 0.00 179.25 179.25 1joq h PHE 61 N 0.00 -0.77 0.00 0.00 3.04 0.17 -1.66 116.94 117.72 1joq h PHE 61 Ca -0.00 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1joq h PHE 61 Cb 0.95 0.28 -0.00 0.00 2.56 0.00 0.00 35.95 39.74 1joq h PHE 61 CO 0.00 -0.41 -0.13 1.15 -2.02 0.00 0.00 178.31 176.90 1joq h THR 62 N -0.66 0.37 0.24 4.41 2.02 -1.37 -2.08 112.91 115.85 1joq h THR 62 Ca -0.05 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 1joq h THR 62 Cb 0.54 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 1joq h THR 62 CO 0.03 0.13 -0.12 0.50 0.37 0.00 0.00 175.52 176.43 1joq h LYS 63 N 0.00 -0.32 0.00 6.66 3.64 -0.91 -2.13 116.57 123.51 1joq h LYS 63 Ca -0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1joq h LYS 63 Cb 0.57 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1joq h LYS 63 CO 0.02 -0.21 -0.06 0.87 -2.27 0.00 0.00 179.45 177.79 1joq h LYS 64 N -0.36 0.00 0.00 1.90 1.57 -1.37 -0.85 116.57 117.46 1joq h LYS 64 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1joq h LYS 64 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1joq h LYS 64 CO 0.05 0.06 0.00 -0.12 -0.57 0.00 0.00 179.45 178.88 1joq n MET 65 N -3.30 0.00 0.25 3.15 1.56 -0.78 -1.69 117.12 116.31 1joq n MET 65 Ca -0.01 0.38 0.09 0.00 -0.27 0.00 0.00 57.70 57.88 1joq n MET 65 Cb 0.24 -1.26 0.64 0.00 2.15 0.00 0.00 33.22 34.99 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 0.92 -0.25 1.12 -1.51 -1.44 -0.94 116.25 114.15 1joq h VAL 66 Ca 0.00 -0.32 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 1joq h VAL 66 Cb 0.00 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1joq h VAL 66 CO 0.00 0.09 0.12 -0.33 -1.23 0.00 0.00 177.57 176.22 1joq h GLU 67 N 0.00 0.34 0.00 5.19 4.39 -1.14 -1.38 114.58 121.98 1joq h GLU 67 Ca -0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1joq h GLU 67 Cb 0.17 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1joq h GLU 67 CO 0.01 0.26 -0.94 0.09 -1.16 0.00 0.00 179.01 177.28 1joq n ASN 68 N -4.46 0.81 -4.62 1.42 3.02 -0.43 -4.82 115.26 106.18 1joq n ASN 68 Ca 0.01 0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.39 1joq n ASN 68 Cb 0.11 0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.67 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 -3.32 3.10 -0.76 5.41 0.00 -0.52 -4.82 121.76 120.85 1joq s ALA 69 Ca 0.01 0.67 0.19 0.00 0.00 0.00 0.00 51.96 52.83 1joq s ALA 69 Cb 0.11 -3.94 0.79 0.00 0.00 0.00 0.00 23.12 20.07 1joq s ALA 69 CO 0.78 -2.24 1.59 1.63 0.00 0.00 0.00 175.76 177.51 1joq n LYS 70 N 8.09 0.09 -4.27 0.00 5.02 -1.26 -4.61 118.16 121.22 1joq n LYS 70 Ca 0.23 0.32 -0.20 0.00 -2.02 0.00 0.00 58.31 56.64 1joq n LYS 70 Cb 0.45 -1.67 -0.16 0.00 -0.02 0.00 0.00 35.03 33.63 1joq n LYS 70 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1joq s LYS 71 N -3.14 0.92 -0.19 1.97 1.02 -1.26 -5.06 119.74 113.99 1joq s LYS 71 Ca 0.06 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1joq s LYS 71 Cb 0.10 -0.87 0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1joq s LYS 71 CO 0.33 -0.01 -0.09 0.42 -0.92 0.00 0.00 175.35 175.09 1joq s ILE 72 N 0.62 1.50 -0.10 2.17 1.09 -1.26 -3.37 121.20 121.85 1joq s ILE 72 Ca -0.09 -0.92 0.03 0.00 -1.10 0.00 0.00 60.65 58.57 1joq s ILE 72 Cb -0.12 -1.61 0.00 0.00 -1.06 0.00 0.00 42.46 39.67 1joq s ILE 72 CO 0.01 0.15 -0.22 -1.61 -0.10 0.00 0.00 174.94 173.17 1joq s GLU 73 N 1.46 2.81 0.39 2.79 8.01 -1.02 0.52 118.70 133.66 1joq s GLU 73 Ca -0.01 -0.79 0.03 0.00 0.01 0.00 0.00 54.97 54.21 1joq s GLU 73 Cb -0.16 -2.17 -0.01 0.00 -4.31 0.00 0.00 34.13 27.48 1joq s GLU 73 CO -0.08 0.12 0.57 0.14 0.01 0.00 0.00 175.26 176.02 1joq s VAL 74 N 0.48 4.12 -0.37 2.63 -7.23 -0.08 -1.60 120.40 118.35 1joq s VAL 74 Ca -0.16 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.30 1joq s VAL 74 Cb -0.17 -3.48 0.15 0.00 0.56 0.00 0.00 36.38 33.43 1joq s VAL 74 CO 0.06 -0.27 0.25 -0.70 -0.31 0.00 0.00 175.10 174.14 1joq s GLU 75 N -4.37 0.63 0.28 4.82 2.12 -0.20 -1.45 118.70 120.53 1joq s GLU 75 Ca 0.46 -1.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.03 1joq s GLU 75 Cb -0.10 -1.27 -0.13 0.00 0.26 0.00 0.00 34.13 32.89 1joq s GLU 75 CO 0.35 -1.25 1.43 1.19 -0.54 0.00 0.00 175.26 176.44 1joq n PHE 76 N 3.79 2.40 -1.39 5.30 3.72 -1.26 -2.34 117.46 127.67 1joq n PHE 76 Ca 0.16 0.42 -0.12 0.00 -0.05 0.00 0.00 57.45 57.86 1joq n PHE 76 Cb 0.40 -2.49 0.08 0.00 -0.94 0.00 0.00 39.48 36.54 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1joq n ASP 77 N 1.74 0.05 0.15 4.37 2.03 -1.26 -4.70 116.55 118.93 1joq n ASP 77 Ca 0.09 -1.20 0.06 0.00 0.52 0.00 0.00 54.79 54.25 1joq n ASP 77 Cb 0.34 -0.42 0.05 0.00 -0.72 0.00 0.00 41.12 40.37 1joq n ASP 77 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1joq h LYS 78 N 0.00 0.00 0.00 -0.67 2.10 -1.93 -3.45 116.57 112.61 1joq h LYS 78 Ca -0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1joq h LYS 78 Cb 0.49 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1joq h LYS 78 CO 0.13 0.28 0.00 0.41 -2.00 0.00 0.00 179.45 178.27 1joq n GLY 79 N 1.21 -0.66 3.69 0.07 0.00 -1.26 -4.97 105.19 103.27 1joq n GLY 79 Ca 0.01 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 1.15 0.00 1.61 -0.21 -1.26 -4.96 119.66 115.99 1joq s GLN 80 Ca 0.00 1.04 0.10 0.00 0.02 0.00 0.00 55.36 56.52 1joq s GLN 80 Cb 0.00 -1.78 -0.10 0.00 1.00 0.00 0.00 33.01 32.13 1joq s GLN 80 CO 0.00 -2.38 0.45 0.54 -2.12 0.00 0.00 175.29 171.79 1joq n ARG 81 N -4.01 3.49 -4.04 2.91 3.00 -1.26 -4.66 116.66 112.09 1joq n ARG 81 Ca 0.08 -0.07 -0.08 0.00 -0.01 0.00 0.00 57.85 57.77 1joq n ARG 81 Cb 0.54 -0.99 -0.09 0.00 0.00 0.00 0.00 32.46 31.92 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1joq s THR 82 N -1.89 0.19 0.00 0.55 -4.23 -1.26 -1.70 115.64 107.30 1joq s THR 82 Ca 0.04 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1joq s THR 82 Cb 0.08 -1.52 0.00 0.00 1.34 0.00 0.00 72.50 72.40 1joq s THR 82 CO 0.40 -0.87 0.00 -0.67 -0.54 0.00 0.00 174.62 172.94 1joq n ASP 83 N 0.05 1.10 0.13 3.99 2.03 -0.91 -4.90 116.55 118.04 1joq n ASP 83 Ca -0.13 -0.56 0.13 0.00 0.52 0.00 0.00 54.79 54.74 1joq n ASP 83 Cb 0.62 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.46 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1joq h LYS 84 N 0.00 0.00 -0.06 -0.67 2.10 -2.02 -2.75 116.57 113.16 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 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 1joq n TYR 85 N -2.34 0.07 -1.48 0.07 4.02 -1.26 -4.89 117.16 111.34 1joq n TYR 85 Ca 0.04 -0.03 -0.07 0.00 -0.01 0.00 0.00 57.90 57.82 1joq n TYR 85 Cb 0.35 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.65 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1joq n GLY 86 N 1.12 0.67 3.88 2.72 0.00 -1.04 -5.02 105.19 107.52 1joq n GLY 86 Ca 0.18 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 1joq n GLY 86 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1joq s ARG 87 N -3.12 3.16 0.04 1.61 1.70 -1.26 -4.77 118.95 116.31 1joq s ARG 87 Ca 0.00 -0.80 -0.20 0.00 -0.47 0.00 0.00 55.73 54.26 1joq s ARG 87 Cb 0.00 -2.77 -0.06 0.00 -0.57 0.00 0.00 34.95 31.55 1joq s ARG 87 CO 0.00 0.47 0.58 0.20 -1.08 0.00 0.00 175.30 175.47 1joq s GLY 88 N -3.44 2.65 -0.19 3.88 0.00 -0.70 -2.13 107.32 107.38 1joq s GLY 88 Ca 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.07 1joq s GLY 88 CO 0.26 0.60 -0.12 1.08 0.00 0.00 0.00 173.10 174.92 1joq s LEU 89 N -0.68 2.53 0.11 0.66 1.43 -0.69 -2.14 118.68 119.90 1joq s LEU 89 Ca 0.30 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.64 1joq s LEU 89 Cb -0.19 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.51 1joq s LEU 89 CO 0.18 0.01 1.10 0.00 0.23 0.00 0.00 176.35 177.87 1joq s ALA 90 N 1.27 -1.85 -0.10 4.21 0.00 -1.26 -4.33 121.76 119.70 1joq s ALA 90 Ca 0.03 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 51.81 1joq s ALA 90 Cb -0.14 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.61 1joq s ALA 90 CO -0.06 -1.07 0.68 0.71 0.00 0.00 0.00 175.76 176.02 1joq s TYR 91 N -2.51 3.52 -0.19 0.00 2.02 -0.99 -4.01 117.35 115.19 1joq s TYR 91 Ca 0.19 1.16 -0.11 0.00 -0.37 0.00 0.00 57.07 57.93 1joq s TYR 91 Cb -0.01 -2.80 -0.05 0.00 -0.40 0.00 0.00 41.96 38.71 1joq s TYR 91 CO 0.02 0.02 0.18 0.42 -1.57 0.00 0.00 175.55 174.62 1joq s ILE 92 N 1.10 5.38 -0.08 2.71 1.01 -1.26 -1.03 121.20 129.03 1joq s ILE 92 Ca 0.35 0.29 0.05 0.00 0.00 0.00 0.00 60.65 61.34 1joq s ILE 92 Cb -0.17 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1joq s ILE 92 CO 0.15 0.42 -0.24 -0.31 0.00 0.00 0.00 174.94 174.96 1joq s TYR 93 N 0.45 2.47 -0.09 3.97 1.51 -0.63 -1.88 117.35 123.15 1joq s TYR 93 Ca 0.10 -0.88 0.03 0.00 -1.01 0.00 0.00 57.07 55.31 1joq s TYR 93 Cb -0.12 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 40.10 1joq s TYR 93 CO -0.00 -0.32 -0.18 0.00 -1.11 0.00 0.00 175.55 173.94 1joq s ALA 94 N 0.10 1.74 -0.35 3.71 0.00 -0.24 -2.43 121.76 124.29 1joq s ALA 94 Ca -0.11 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.12 1joq s ALA 94 Cb -0.16 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1joq s ALA 94 CO 0.06 0.13 0.00 -0.25 0.00 0.00 0.00 175.76 175.71 1joq n ASP 95 N 3.80 -4.65 0.00 0.00 8.00 -1.22 -1.68 116.55 120.80 1joq n ASP 95 Ca -0.20 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.38 1joq n ASP 95 Cb 0.52 -2.44 0.00 0.00 -0.02 0.00 0.00 41.12 39.19 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 -0.92 0.75 3.66 0.44 0.00 -1.26 -5.05 105.19 102.80 1joq n GLY 96 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.55 2.36 -0.15 1.61 2.47 -0.67 -5.09 119.74 119.72 1joq s LYS 97 Ca 0.00 -1.22 -0.28 0.00 -1.56 0.00 0.00 55.97 52.91 1joq s LYS 97 Cb 0.00 -2.28 -0.01 0.00 -1.46 0.00 0.00 37.83 34.08 1joq s LYS 97 CO 0.00 0.42 0.93 1.41 0.16 0.00 0.00 175.35 178.27 1joq s MET 98 N -3.22 4.35 0.10 4.03 -2.45 -1.26 -1.08 119.30 119.76 1joq s MET 98 Ca 0.29 1.22 -0.16 0.00 -1.25 0.00 0.00 55.69 55.79 1joq s MET 98 Cb -0.08 -3.57 -0.06 0.00 1.25 0.00 0.00 34.83 32.37 1joq s MET 98 CO 0.19 -0.36 1.49 0.28 1.05 0.00 0.00 175.02 177.67 1joq h VAL 99 N 5.18 1.28 -0.96 10.11 2.07 -1.73 -2.25 116.25 129.97 1joq h VAL 99 Ca -0.29 -1.17 0.10 0.00 0.82 0.00 0.00 66.70 66.16 1joq h VAL 99 Cb 1.13 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 32.20 1joq h VAL 99 CO 0.86 0.38 0.61 0.78 0.02 0.00 0.00 177.57 180.23 1joq h ASN 100 N 0.42 0.89 0.32 0.57 4.21 -1.92 0.76 115.58 120.83 1joq h ASN 100 Ca 0.08 0.03 -0.11 0.00 1.21 0.00 0.00 56.30 57.51 1joq h ASN 100 Cb 0.61 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.65 1joq h ASN 100 CO 0.04 0.51 -0.46 -0.08 -1.29 0.00 0.00 177.43 176.14 1joq h GLU 101 N 0.97 0.17 -0.40 0.81 4.81 -1.89 -2.71 114.58 116.35 1joq h GLU 101 Ca 0.45 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 1joq h GLU 101 Cb 0.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1joq h GLU 101 CO -0.21 0.61 0.03 0.00 -0.73 0.00 0.00 179.01 178.70 1joq h ALA 102 N 1.38 0.53 -0.49 2.92 0.00 -0.28 -1.35 119.26 121.98 1joq h ALA 102 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1joq h ALA 102 Cb 0.88 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1joq h ALA 102 CO 0.07 0.28 0.25 -0.07 0.00 0.00 0.00 179.25 179.77 1joq h LEU 103 N 0.52 0.63 -1.16 0.00 3.38 -1.20 -1.71 115.31 115.76 1joq h LEU 103 Ca 0.12 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1joq h LEU 103 Cb 0.43 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1joq h LEU 103 CO 0.01 0.56 0.17 0.58 0.09 0.00 0.00 178.44 179.86 1joq h VAL 104 N 0.64 1.20 0.00 1.22 2.07 -1.33 -1.53 116.25 118.52 1joq h VAL 104 Ca 0.17 -0.68 -0.08 0.00 0.82 0.00 0.00 66.70 66.94 1joq h VAL 104 Cb 0.09 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1joq h VAL 104 CO -0.02 0.26 -0.36 -0.09 0.02 0.00 0.00 177.57 177.37 1joq h ARG 105 N 0.75 0.00 -0.63 1.57 2.43 -0.68 -2.14 114.38 115.67 1joq h ARG 105 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1joq h ARG 105 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1joq h ARG 105 CO -0.01 0.36 0.00 0.94 -1.51 0.00 0.00 179.97 179.75 1joq n GLN 106 N -3.96 3.27 -4.09 0.20 -0.06 -0.66 -4.93 117.38 107.16 1joq n GLN 106 Ca -0.02 -2.36 -0.28 0.00 -2.00 0.00 0.00 57.00 52.34 1joq n GLN 106 Cb 0.41 -1.79 -0.05 0.00 -4.06 0.00 0.00 30.24 24.75 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 0.99 -0.21 0.02 1.69 0.00 -0.79 -4.75 105.19 102.14 1joq n GLY 107 Ca 0.21 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 -4.48 0.00 -4.44 0.99 4.77 -0.74 -3.21 117.00 109.89 1joq n LEU 108 Ca -0.31 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.45 1joq n LEU 108 Cb 0.69 0.08 -0.11 0.00 -2.33 0.00 0.00 43.42 41.75 1joq n LEU 108 CO 0.79 0.08 -0.31 0.00 -1.33 0.00 0.00 177.39 176.62 1joq s ALA 109 N -2.23 2.36 0.28 -1.18 0.00 -1.24 -4.10 121.76 115.65 1joq s ALA 109 Ca -0.02 -2.00 0.05 0.00 0.00 0.00 0.00 51.96 49.98 1joq s ALA 109 Cb 0.02 0.47 -0.06 0.00 0.00 0.00 0.00 23.12 23.55 1joq s ALA 109 CO 0.22 -0.22 -0.02 0.15 0.00 0.00 0.00 175.76 175.89 1joq s LYS 110 N -3.83 1.53 -0.12 0.00 3.01 -1.04 -4.60 119.74 114.68 1joq s LYS 110 Ca 0.34 -1.79 -0.19 0.00 -1.01 0.00 0.00 55.97 53.32 1joq s LYS 110 Cb 0.07 -0.97 -0.04 0.00 -1.01 0.00 0.00 37.83 35.88 1joq s LYS 110 CO 0.14 -0.04 0.51 0.08 0.51 0.00 0.00 175.35 176.54 1joq s VAL 111 N -3.17 5.16 0.12 3.17 1.01 -1.26 -1.11 120.40 124.32 1joq s VAL 111 Ca 0.31 1.01 -0.15 0.00 0.00 0.00 0.00 61.98 63.14 1joq s VAL 111 Cb 0.05 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.64 1joq s VAL 111 CO 0.12 0.29 0.73 0.00 0.00 0.00 0.00 175.10 176.24 1joq n ALA 112 N 3.85 -1.91 -3.04 5.51 0.00 -0.89 -4.91 120.51 119.13 1joq n ALA 112 Ca -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 53.44 52.66 1joq n ALA 112 Cb 0.51 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.35 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 -0.51 -3.03 -3.47 0.00 4.01 -1.26 -3.56 117.16 109.34 1joq n TYR 113 Ca -0.01 1.16 -0.43 0.00 -0.16 0.00 0.00 57.90 58.46 1joq n TYR 113 Cb 0.41 -4.11 -0.08 0.00 -0.31 0.00 0.00 39.34 35.25 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 -2.96 4.65 -0.84 -0.72 1.01 -1.26 -4.22 120.40 116.06 1joq s VAL 114 Ca 0.02 -1.53 -0.00 0.00 0.00 0.00 0.00 61.98 60.47 1joq s VAL 114 Cb -0.01 -3.96 0.21 0.00 0.00 0.00 0.00 36.38 32.62 1joq s VAL 114 CO 0.75 -0.73 0.70 -0.31 0.00 0.00 0.00 175.10 175.51 1joq s TYR 115 N 1.48 3.80 0.96 5.22 2.02 -1.26 -5.06 117.35 124.51 1joq s TYR 115 Ca 0.04 -3.08 -0.15 0.00 -0.37 0.00 0.00 57.07 53.50 1joq s TYR 115 Cb -0.27 -3.12 -0.07 0.00 -0.40 0.00 0.00 41.96 38.10 1joq s TYR 115 CO 0.02 -0.70 -0.27 1.63 -1.57 0.00 0.00 175.55 174.65 1joq n LYS 116 N 2.32 -0.10 0.00 -0.62 5.02 -1.26 -2.29 118.16 121.23 1joq n LYS 116 Ca 0.20 -0.01 0.04 0.00 -2.02 0.00 0.00 58.31 56.52 1joq n LYS 116 Cb 0.37 -1.36 0.25 0.00 -0.02 0.00 0.00 35.03 34.26 1joq n LYS 116 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1joq n PRO 117 N 0.74 0.91 -1.89 1.97 -0.04 -1.26 -5.01 135.00 130.43 1joq n PRO 117 Ca 0.02 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 1joq n PRO 117 Cb 0.55 -1.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.80 1joq n PRO 117 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1joq s ASN 118 N -1.35 4.62 0.00 3.54 0.01 -0.97 -4.25 114.94 116.55 1joq s ASN 118 Ca 0.12 -0.75 0.00 0.00 -0.71 0.00 0.00 52.86 51.53 1joq s ASN 118 Cb 0.06 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.15 1joq s ASN 118 CO 0.10 -3.33 0.81 0.59 -1.51 0.00 0.00 177.10 173.76 1joq n ASN 119 N 15.86 -0.59 0.30 -1.22 4.13 -1.26 -4.35 115.26 128.13 1joq n ASN 119 Ca 0.43 -1.61 0.18 0.00 1.68 0.00 0.00 54.58 55.26 1joq n ASN 119 Cb 0.46 0.18 0.94 0.00 -1.54 0.00 0.00 39.78 39.82 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1joq h THR 120 N 5.02 0.25 -0.09 3.41 2.02 -2.02 -2.56 112.91 118.94 1joq h THR 120 Ca -0.34 -0.24 -0.10 0.00 0.77 0.00 0.00 66.41 66.50 1joq h THR 120 Cb 1.25 1.18 -0.15 0.00 -1.74 0.00 0.00 68.15 68.70 1joq h THR 120 CO -0.17 0.03 -0.68 1.41 0.37 0.00 0.00 175.52 176.48 1joq n HIS 121 N -3.37 0.32 0.01 3.16 8.25 -1.26 -4.76 115.22 117.56 1joq n HIS 121 Ca -0.02 -1.37 -0.21 0.00 -0.26 0.00 0.00 57.72 55.86 1joq n HIS 121 Cb 0.16 -0.24 -0.14 0.00 1.12 0.00 0.00 29.99 30.89 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 1.18 0.24 -0.65 -0.41 4.81 -1.82 -3.00 114.58 114.93 1joq h GLU 122 Ca -0.02 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1joq h GLU 122 Cb 1.27 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.77 1joq h GLU 122 CO 0.10 1.19 0.39 1.96 -0.73 0.00 0.00 179.01 181.93 1joq h GLN 123 N -0.37 0.88 0.57 1.92 7.50 -1.86 0.82 115.11 124.56 1joq h GLN 123 Ca -0.26 -0.08 -0.03 0.00 0.50 0.00 0.00 58.65 58.78 1joq h GLN 123 Cb 1.69 -0.18 0.01 0.00 0.05 0.00 0.00 27.48 29.04 1joq h GLN 123 CO 0.06 0.63 -0.27 1.25 -1.50 0.00 0.00 178.83 179.00 1joq h LEU 124 N 0.88 -0.65 -2.78 1.46 7.12 -1.89 -1.83 115.31 117.62 1joq h LEU 124 Ca 0.23 -0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.24 1joq h LEU 124 Cb -0.03 0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 1joq h LEU 124 CO -0.04 -0.42 -0.00 -0.07 -0.13 0.00 0.00 178.44 177.78 1joq h LEU 125 N -0.84 0.00 0.18 2.25 3.38 -1.37 -2.61 115.31 116.30 1joq h LEU 125 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1joq h LEU 125 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1joq h LEU 125 CO 0.13 0.00 -0.08 -0.09 0.09 0.00 0.00 178.44 178.49 1joq h ARG 126 N 0.00 -0.23 -1.04 1.13 2.43 0.01 -1.86 114.38 114.81 1joq h ARG 126 Ca -0.00 0.02 0.27 0.00 -0.81 0.00 0.00 59.98 59.45 1joq h ARG 126 Cb 0.02 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.53 1joq h ARG 126 CO 0.00 -0.15 0.67 1.57 -1.51 0.00 0.00 179.97 180.55 1joq h LYS 127 N -0.34 0.38 -0.62 0.20 2.10 -1.33 0.36 116.57 117.31 1joq h LYS 127 Ca -0.02 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.60 1joq h LYS 127 Cb 0.18 -0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 31.40 1joq h LYS 127 CO 0.04 0.25 0.37 0.77 -2.00 0.00 0.00 179.45 178.87 1joq h SER 128 N 0.39 0.75 -0.71 7.07 0.02 -1.41 -2.31 113.55 117.34 1joq h SER 128 Ca 0.59 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 61.44 1joq h SER 128 Cb 1.52 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.83 1joq h SER 128 CO -0.29 0.60 0.32 -0.08 -1.14 0.00 0.00 176.83 176.23 1joq h GLU 129 N 0.84 1.04 -0.57 3.45 4.57 0.56 -2.18 114.58 122.30 1joq h GLU 129 Ca 0.22 -0.17 0.10 0.00 -1.18 0.00 0.00 59.36 58.33 1joq h GLU 129 Cb -0.01 -0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 28.32 1joq h GLU 129 CO -0.04 0.84 0.13 0.00 -1.18 0.00 0.00 179.01 178.76 1joq h ALA 130 N 1.15 0.67 -0.16 2.92 0.00 -0.84 -0.44 119.26 122.57 1joq h ALA 130 Ca 0.24 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1joq h ALA 130 Cb 0.16 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1joq h ALA 130 CO -0.03 -0.29 0.07 0.37 0.00 0.00 0.00 179.25 179.38 1joq h GLN 131 N 0.27 0.23 -0.72 0.00 4.15 -1.14 -1.40 115.11 116.49 1joq h GLN 131 Ca 0.29 -0.04 0.21 0.00 0.77 0.00 0.00 58.65 59.89 1joq h GLN 131 Cb 0.41 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1joq h GLN 131 CO -0.36 0.28 0.53 0.00 -1.93 0.00 0.00 178.83 177.35 1joq h ALA 132 N 0.93 2.67 -0.14 3.38 0.00 -0.61 0.91 119.26 126.41 1joq h ALA 132 Ca 0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1joq h ALA 132 Cb 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1joq h ALA 132 CO -0.01 -0.90 -0.12 0.87 0.00 0.00 0.00 179.25 179.09 1joq h LYS 133 N 0.00 0.33 0.00 0.00 1.57 -0.01 -2.14 116.57 116.32 1joq h LYS 133 Ca 0.34 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1joq h LYS 133 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1joq h LYS 133 CO -0.00 0.71 0.00 0.87 -0.57 0.00 0.00 179.45 180.45 1joq h LYS 134 N -0.05 0.00 0.00 3.15 1.57 -0.55 -2.68 116.57 118.02 1joq h LYS 134 Ca 0.02 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.57 1joq h LYS 134 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 1joq h LYS 134 CO 0.03 0.00 -1.33 0.93 -0.57 0.00 0.00 179.45 178.52 1joq h GLU 135 N 0.00 0.00 -5.16 3.15 5.08 -0.81 -3.49 114.58 113.35 1joq h GLU 135 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1joq h GLU 135 Cb 0.40 0.00 0.17 0.00 0.50 0.00 0.00 28.75 29.83 1joq h GLU 135 CO 0.00 0.67 -0.75 1.63 -1.00 0.00 0.00 179.01 179.56 1joq n LYS 136 N -3.16 -2.22 -3.47 2.33 4.76 -0.83 -4.96 118.16 110.61 1joq n LYS 136 Ca -0.08 0.76 -0.43 0.00 -2.87 0.00 0.00 58.31 55.69 1joq n LYS 136 Cb 0.97 -5.33 -0.07 0.00 -1.84 0.00 0.00 35.03 28.76 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1joq s LEU 137 N -5.15 5.81 0.00 -0.35 0.20 -1.26 -4.55 118.68 113.38 1joq s LEU 137 Ca 0.38 -1.79 0.00 0.00 0.69 0.00 0.00 54.13 53.40 1joq s LEU 137 Cb -0.05 -2.09 0.00 0.00 -0.43 0.00 0.00 46.19 43.62 1joq s LEU 137 CO 0.65 -0.73 0.00 0.59 -0.29 0.00 0.00 176.35 176.57 1joq n ASN 138 N 5.04 0.00 -0.30 3.68 3.02 -1.26 -3.66 115.26 121.78 1joq n ASN 138 Ca -0.10 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.43 1joq n ASN 138 Cb 0.41 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.10 -0.23 2.41 2.04 -1.90 0.42 117.51 120.35 1joq h ILE 139 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1joq h ILE 139 Cb 0.00 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.11 1joq h ILE 139 CO 0.00 0.00 0.09 0.79 0.00 0.00 0.00 178.15 179.03 1joq n TRP 140 N -5.48 0.58 -0.04 1.37 7.02 -1.24 -4.33 117.44 115.33 1joq n TRP 140 Ca 0.09 -1.45 -0.03 0.00 -1.02 0.00 0.00 57.50 55.09 1joq n TRP 140 Cb 0.39 -0.90 -0.01 0.00 -2.42 0.00 0.00 31.31 28.37 1joq n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1joq n SER 141 N 1.29 0.83 -3.26 -0.99 7.64 0.15 -4.07 113.62 115.20 1joq n SER 141 Ca 0.21 0.29 -0.29 0.00 1.01 0.00 0.00 58.87 60.08 1joq n SER 141 Cb 0.60 -0.64 0.28 0.00 -1.01 0.00 0.00 64.21 63.44 1joq n SER 141 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1joq n GLU 142 N -3.33 -4.53 -3.80 1.43 0.28 -1.26 -5.04 120.64 104.39 1joq n GLU 142 Ca -0.05 -1.46 -0.22 0.00 -0.16 0.00 0.00 57.16 55.28 1joq n GLU 142 Cb 0.17 -1.79 -0.04 0.00 1.43 0.00 0.00 31.44 31.21 1joq n GLU 142 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1joq s ASP 143 N -3.28 4.95 -0.10 -1.84 1.47 -1.26 -5.01 116.67 111.60 1joq s ASP 143 Ca 0.65 -0.74 0.14 0.00 1.18 0.00 0.00 52.55 53.79 1joq s ASP 143 Cb -0.11 -0.68 0.58 0.00 -0.34 0.00 0.00 42.92 42.37 1joq s ASP 143 CO 0.54 -0.50 1.44 0.59 0.68 0.00 0.00 175.17 177.92 1joq n ASN 144 N -1.39 3.93 -0.06 2.11 4.13 -1.26 -4.05 115.26 118.67 1joq n ASN 144 Ca 0.00 -2.39 -0.11 0.00 1.68 0.00 0.00 54.58 53.76 1joq n ASN 144 Cb 0.62 -0.52 -0.15 0.00 -1.54 0.00 0.00 39.78 38.18 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 0.80 1.43 -0.80 5.41 0.00 -1.26 -4.94 120.51 121.15 1joq n ALA 145 Ca 0.20 -1.03 -0.06 0.00 0.00 0.00 0.00 53.44 52.55 1joq n ALA 145 Cb 0.75 -0.47 0.10 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.99 -2.44 0.00 0.00 5.75 -1.26 -5.06 116.55 110.55 1joq n ASP 146 Ca -0.28 -0.40 0.00 0.00 -0.01 0.00 0.00 54.79 54.10 1joq n ASP 146 Cb 1.09 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.84 1joq n ASP 146 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1joq n SER 147 N -3.90 0.00 0.00 -1.12 2.88 -1.26 -5.10 113.62 105.12 1joq n SER 147 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1joq n SER 147 Cb 0.21 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 -0.06 0.02 2.67 0.46 0.00 -1.26 -5.27 105.19 101.75 1joq n GLY 148 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14