#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 0.00 -3.14 0.00 5.66 -1.26 -5.14 114.28 110.40 1joq n THR 2 Ca 0.00 -0.59 0.00 0.00 -3.05 0.00 0.00 64.05 60.41 1joq n THR 2 Cb 0.00 0.77 0.00 0.00 -1.55 0.00 0.00 70.33 69.55 1joq n THR 2 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1joq n SER 3 N -0.92 1.95 -3.59 1.09 2.88 -1.26 -5.17 113.62 108.59 1joq n SER 3 Ca -0.16 -0.14 -0.12 0.00 -1.33 0.00 0.00 58.87 57.13 1joq n SER 3 Cb 0.75 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.15 1joq n SER 3 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1joq s THR 4 N 0.68 0.00 -2.51 2.46 -1.32 -1.26 -5.03 115.64 108.66 1joq s THR 4 Ca 0.00 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 1joq s THR 4 Cb 0.00 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.41 1joq s THR 4 CO 0.00 0.00 1.40 1.17 -2.21 0.00 0.00 174.62 174.98 1joq n LYS 5 N 1.44 2.52 -0.61 7.08 3.00 -1.26 -4.95 118.16 125.38 1joq n LYS 5 Ca -0.13 -2.29 -0.07 0.00 -0.00 0.00 0.00 58.31 55.83 1joq n LYS 5 Cb 0.57 -1.52 0.05 0.00 0.00 0.00 0.00 35.03 34.13 1joq n LYS 5 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1joq n LYS 6 N 1.50 -0.19 -4.18 1.64 5.02 -1.26 -5.11 118.16 115.59 1joq n LYS 6 Ca 0.19 -0.56 -0.27 0.00 -2.02 0.00 0.00 58.31 55.65 1joq n LYS 6 Cb 0.61 -0.32 -0.05 0.00 -0.02 0.00 0.00 35.03 35.25 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1joq n LEU 7 N 0.00 0.00 -4.44 -0.35 4.77 -1.26 -5.12 117.00 110.60 1joq n LEU 7 Ca 0.04 -2.65 -0.33 0.00 -0.03 0.00 0.00 56.01 53.05 1joq n LEU 7 Cb 0.15 0.27 -0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1joq n LEU 7 CO 0.11 -0.39 -0.42 -1.38 -1.33 0.00 0.00 177.39 173.98 1joq s HIS 8 N -2.51 2.86 -0.15 -1.77 -3.43 -1.26 -5.10 115.29 103.92 1joq s HIS 8 Ca 0.02 -0.42 -0.05 0.00 -0.80 0.00 0.00 55.06 53.81 1joq s HIS 8 Cb -0.00 -1.83 -0.03 0.00 -1.43 0.00 0.00 32.58 29.29 1joq s HIS 8 CO 0.01 -0.05 0.01 0.15 -2.00 0.00 0.00 174.74 172.86 1joq s LYS 9 N 0.07 3.65 0.29 -0.38 -0.14 -1.26 -4.13 119.74 117.83 1joq s LYS 9 Ca -0.04 -0.42 0.05 0.00 -1.36 0.00 0.00 55.97 54.21 1joq s LYS 9 Cb -0.14 -3.01 -0.06 0.00 -1.68 0.00 0.00 37.83 32.94 1joq s LYS 9 CO 0.04 0.36 -0.02 -1.21 -0.76 0.00 0.00 175.35 173.77 1joq s GLU 10 N 0.07 1.56 0.73 1.68 0.41 -1.04 -4.95 118.70 117.16 1joq s GLU 10 Ca 0.03 -1.81 -0.11 0.00 -0.41 0.00 0.00 54.97 52.66 1joq s GLU 10 Cb -0.13 -1.02 0.03 0.00 -1.78 0.00 0.00 34.13 31.23 1joq s GLU 10 CO 0.02 -0.04 1.10 -1.25 -0.49 0.00 0.00 175.26 174.59 1joq s PRO 11 N -3.79 2.65 0.30 0.39 0.04 -1.26 -1.15 135.00 132.18 1joq s PRO 11 Ca 0.31 0.52 -0.02 0.00 0.04 0.00 0.00 61.00 61.85 1joq s PRO 11 Cb 0.06 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1joq s PRO 11 CO 0.13 -1.20 0.43 0.00 0.04 0.00 0.00 177.00 176.40 1joq n ALA 12 N -3.13 -0.37 -3.79 8.56 0.00 -0.25 -4.67 120.51 116.87 1joq n ALA 12 Ca 0.07 -1.34 -0.29 0.00 0.00 0.00 0.00 53.44 51.88 1joq n ALA 12 Cb 0.57 1.08 -0.16 0.00 0.00 0.00 0.00 19.45 20.94 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 -2.72 0.92 -0.44 0.00 2.01 -0.60 -4.78 115.64 110.02 1joq s THR 13 Ca 0.24 -1.00 -0.27 0.00 0.31 0.00 0.00 61.69 60.97 1joq s THR 13 Cb -0.01 -1.44 -0.07 0.00 0.01 0.00 0.00 72.50 70.99 1joq s THR 13 CO 0.17 -0.32 2.38 -0.11 -0.69 0.00 0.00 174.62 176.05 1joq n LEU 14 N 4.88 2.47 -0.03 4.42 -0.00 -1.26 -0.80 117.00 126.67 1joq n LEU 14 Ca -0.08 -0.33 -0.02 0.00 -0.00 0.00 0.00 56.01 55.59 1joq n LEU 14 Cb 0.45 -1.56 -0.01 0.00 -0.00 0.00 0.00 43.42 42.30 1joq n LEU 14 CO 0.14 -1.36 -0.14 0.40 -0.00 0.00 0.00 177.39 176.44 1joq h ILE 15 N 7.59 0.00 -1.81 1.96 2.04 -1.61 -3.48 117.51 122.19 1joq h ILE 15 Ca -0.27 -0.50 0.09 0.00 1.00 0.00 0.00 64.86 65.18 1joq h ILE 15 Cb 1.27 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 37.14 1joq h ILE 15 CO 1.12 0.00 -0.04 -0.75 0.00 0.00 0.00 178.15 178.48 1joq s LYS 16 N -1.54 0.54 0.64 2.37 2.20 -0.86 -5.03 119.74 118.06 1joq s LYS 16 Ca -0.06 1.28 -0.13 0.00 -0.36 0.00 0.00 55.97 56.71 1joq s LYS 16 Cb 0.01 0.70 -0.02 0.00 -1.51 0.00 0.00 37.83 37.00 1joq s LYS 16 CO 0.09 -0.17 1.04 0.00 -0.36 0.00 0.00 175.35 175.95 1joq s ALA 17 N 2.63 2.82 0.00 3.13 0.00 -1.26 -1.44 121.76 127.64 1joq s ALA 17 Ca -0.06 0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.03 1joq s ALA 17 Cb -0.10 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.86 1joq s ALA 17 CO -0.19 -0.92 0.00 -0.89 0.00 0.00 0.00 175.76 173.77 1joq n ILE 18 N -2.64 0.00 -2.15 0.00 5.41 -0.93 -4.82 119.36 114.24 1joq n ILE 18 Ca 0.07 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.82 1joq n ILE 18 Cb 0.54 -1.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.42 1joq n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1joq n ASP 19 N -2.76 0.12 -0.01 4.38 2.03 -0.89 -5.00 116.55 114.42 1joq n ASP 19 Ca 0.00 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 55.09 1joq n ASP 19 Cb 0.48 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.74 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1joq h GLY 20 N 0.00 0.25 -2.27 0.27 0.00 -1.80 -3.37 103.07 96.15 1joq h GLY 20 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 47.33 46.70 1joq h GLY 20 CO 0.00 0.55 0.00 2.09 0.00 0.00 0.00 176.54 179.18 1joq n ASP 21 N -3.81 3.62 -4.14 0.19 5.75 -1.26 -4.62 116.55 112.27 1joq n ASP 21 Ca -0.29 -1.99 -0.29 0.00 -0.01 0.00 0.00 54.79 52.20 1joq n ASP 21 Cb 0.93 -0.39 -0.17 0.00 -1.03 0.00 0.00 41.12 40.46 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1joq s THR 22 N -1.05 1.69 -0.16 2.12 2.01 -1.26 -1.48 115.64 117.51 1joq s THR 22 Ca 0.41 -0.80 -0.10 0.00 0.31 0.00 0.00 61.69 61.51 1joq s THR 22 Cb 0.22 -1.49 0.05 0.00 0.01 0.00 0.00 72.50 71.29 1joq s THR 22 CO 0.28 0.48 0.39 0.68 -0.69 0.00 0.00 174.62 175.76 1joq s VAL 23 N 0.52 -0.02 -0.19 3.82 -7.23 -0.96 -2.09 120.40 114.25 1joq s VAL 23 Ca -0.16 0.08 -0.24 0.00 -1.81 0.00 0.00 61.98 59.85 1joq s VAL 23 Cb -0.17 -0.57 -0.02 0.00 0.56 0.00 0.00 36.38 36.18 1joq s VAL 23 CO 0.06 0.03 0.76 -0.54 -0.31 0.00 0.00 175.10 175.10 1joq s LYS 24 N 1.16 4.25 0.44 4.82 1.02 -0.52 -1.78 119.74 129.13 1joq s LYS 24 Ca -0.08 0.87 0.03 0.00 0.02 0.00 0.00 55.97 56.81 1joq s LYS 24 Cb -0.08 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 1joq s LYS 24 CO -0.10 -0.32 0.10 1.28 -0.92 0.00 0.00 175.35 175.40 1joq n LEU 25 N 5.25 0.00 -4.31 3.17 4.77 -0.81 -1.60 117.00 123.46 1joq n LEU 25 Ca 0.02 -3.14 -0.32 0.00 -0.03 0.00 0.00 56.01 52.55 1joq n LEU 25 Cb 0.49 0.83 -0.16 0.00 -2.33 0.00 0.00 43.42 42.26 1joq n LEU 25 CO 0.47 -0.47 -0.52 -0.32 -1.33 0.00 0.00 177.39 175.21 1joq s MET 26 N -3.63 2.81 -0.12 3.23 1.75 0.02 -2.13 119.30 121.22 1joq s MET 26 Ca 0.15 -0.82 -0.02 0.00 -1.25 0.00 0.00 55.69 53.74 1joq s MET 26 Cb 0.01 -2.32 0.04 0.00 2.84 0.00 0.00 34.83 35.40 1joq s MET 26 CO 0.10 0.35 0.02 -0.47 -0.65 0.00 0.00 175.02 174.37 1joq s TYR 27 N -0.05 0.76 0.00 4.11 5.04 -0.68 -1.56 117.35 124.97 1joq s TYR 27 Ca -0.06 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.15 1joq s TYR 27 Cb -0.14 -0.87 0.00 0.00 0.35 0.00 0.00 41.96 41.29 1joq s TYR 27 CO 0.05 -0.44 0.00 1.63 -1.34 0.00 0.00 175.55 175.45 1joq n LYS 28 N 5.12 -0.94 0.00 4.97 4.01 -1.26 -1.61 118.16 128.45 1joq n LYS 28 Ca -0.08 0.24 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 1joq n LYS 28 Cb 0.49 -4.16 0.00 0.00 -0.51 0.00 0.00 35.03 30.85 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 -0.84 0.91 3.16 0.72 0.00 -1.26 -5.07 105.19 102.80 1joq n GLY 29 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.78 3.06 0.40 1.61 -0.44 -0.63 -5.10 119.66 117.78 1joq s GLN 30 Ca 0.00 -0.80 -0.23 0.00 -2.50 0.00 0.00 55.36 51.83 1joq s GLN 30 Cb 0.00 -2.66 -0.09 0.00 -1.64 0.00 0.00 33.01 28.62 1joq s GLN 30 CO 0.00 -0.21 1.01 -1.25 0.50 0.00 0.00 175.29 175.34 1joq s PRO 31 N 1.33 4.19 0.24 1.67 0.04 -1.26 -1.68 135.00 139.52 1joq s PRO 31 Ca 0.05 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.26 1joq s PRO 31 Cb -0.13 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 32.01 1joq s PRO 31 CO -0.11 -0.10 0.88 1.41 0.04 0.00 0.00 177.00 179.12 1joq s MET 32 N -2.66 1.58 -0.36 4.56 1.75 -0.90 -4.98 119.30 118.29 1joq s MET 32 Ca 0.59 -0.93 -0.09 0.00 -1.25 0.00 0.00 55.69 54.01 1joq s MET 32 Cb -0.18 0.50 0.04 0.00 2.84 0.00 0.00 34.83 38.02 1joq s MET 32 CO 0.23 -0.73 0.17 0.99 -0.65 0.00 0.00 175.02 175.03 1joq s THR 33 N -3.10 4.17 -0.04 10.11 2.01 -1.26 -1.92 115.64 125.62 1joq s THR 33 Ca 0.14 -1.05 -0.17 0.00 0.31 0.00 0.00 61.69 60.92 1joq s THR 33 Cb -0.04 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 1joq s THR 33 CO 0.06 -0.24 0.48 -0.36 -0.69 0.00 0.00 174.62 173.86 1joq s PHE 34 N 1.47 3.64 -0.02 4.92 0.40 -0.73 -0.75 117.98 126.90 1joq s PHE 34 Ca 0.00 1.01 0.06 0.00 -0.60 0.00 0.00 56.93 57.41 1joq s PHE 34 Cb -0.20 -2.47 -0.02 0.00 0.51 0.00 0.00 43.02 40.84 1joq s PHE 34 CO 0.04 0.40 -0.21 0.50 0.70 0.00 0.00 175.22 176.65 1joq s ARG 35 N -0.24 2.23 0.26 0.44 6.06 -0.95 -2.27 118.95 124.49 1joq s ARG 35 Ca 0.26 -0.86 -0.30 0.00 -2.50 0.00 0.00 55.73 52.33 1joq s ARG 35 Cb -0.17 -2.16 -0.14 0.00 0.06 0.00 0.00 34.95 32.54 1joq s ARG 35 CO 0.13 0.58 1.23 1.28 -2.50 0.00 0.00 175.30 176.02 1joq n LEU 36 N 2.30 2.56 -4.94 -0.88 4.77 -0.55 -4.26 117.00 116.00 1joq n LEU 36 Ca -0.16 1.17 -0.24 0.00 -0.03 0.00 0.00 56.01 56.74 1joq n LEU 36 Cb 0.52 -1.36 0.02 0.00 -2.33 0.00 0.00 43.42 40.26 1joq n LEU 36 CO 0.24 -0.89 0.38 -0.76 -1.33 0.00 0.00 177.39 175.04 1joq s LEU 37 N 0.05 3.47 -1.17 2.23 1.43 -1.26 -4.24 118.68 119.19 1joq s LEU 37 Ca 0.63 0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 54.03 1joq s LEU 37 Cb -0.68 -3.29 0.14 0.00 0.03 0.00 0.00 46.19 42.39 1joq s LEU 37 CO 0.56 -0.86 0.38 0.18 0.23 0.00 0.00 176.35 176.84 1joq n LEU 38 N -2.28 -0.61 0.00 1.79 4.77 -1.23 -4.84 117.00 114.60 1joq n LEU 38 Ca 0.03 -0.55 -0.04 0.00 -0.03 0.00 0.00 56.01 55.42 1joq n LEU 38 Cb 0.58 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 1joq n LEU 38 CO 0.49 0.07 0.06 0.55 -1.33 0.00 0.00 177.39 177.23 1joq n VAL 39 N -3.50 0.00 -3.60 4.08 3.14 -0.83 -2.39 118.33 115.23 1joq n VAL 39 Ca 0.07 -0.42 -0.10 0.00 -2.96 0.00 0.00 64.34 60.92 1joq n VAL 39 Cb 0.48 0.27 -0.06 0.00 -1.06 0.00 0.00 33.84 33.47 1joq n VAL 39 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1joq s ASP 40 N -1.55 -0.37 0.14 6.55 -1.08 0.29 -3.97 116.67 116.68 1joq s ASP 40 Ca 0.07 0.50 0.03 0.00 -0.52 0.00 0.00 52.55 52.63 1joq s ASP 40 Cb -0.00 0.43 -0.04 0.00 -1.46 0.00 0.00 42.92 41.84 1joq s ASP 40 CO 0.05 -0.28 -0.06 0.42 0.52 0.00 0.00 175.17 175.83 1joq s THR 41 N -0.74 0.85 -0.55 1.71 -4.23 -1.26 -2.04 115.64 109.37 1joq s THR 41 Ca -0.00 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.24 1joq s THR 41 Cb -0.02 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.97 1joq s THR 41 CO -0.01 -0.70 1.27 -2.16 -0.54 0.00 0.00 174.62 172.48 1joq s PRO 42 N -3.83 3.48 0.74 3.99 0.04 -1.26 -5.01 135.00 133.14 1joq s PRO 42 Ca 0.17 0.41 -0.14 0.00 0.04 0.00 0.00 61.00 61.48 1joq s PRO 42 Cb 0.05 -4.04 0.04 0.00 0.04 0.00 0.00 34.50 30.59 1joq s PRO 42 CO -0.00 -1.72 1.16 -2.00 0.04 0.00 0.00 177.00 174.49 1joq s GLU 43 N 5.07 2.17 -0.18 4.56 2.12 -1.26 -4.85 118.70 126.33 1joq s GLU 43 Ca 0.48 1.59 0.04 0.00 0.36 0.00 0.00 54.97 57.44 1joq s GLU 43 Cb -0.09 -1.85 0.35 0.00 0.26 0.00 0.00 34.13 32.80 1joq s GLU 43 CO 0.27 -1.77 1.32 0.25 -0.54 0.00 0.00 175.26 174.78 1joq n THR 44 N -2.90 1.80 0.00 -1.70 -2.24 -1.26 -4.47 114.28 103.51 1joq n THR 44 Ca 0.12 -0.84 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1joq n THR 44 Cb 0.51 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -0.07 0.00 -3.04 -0.78 5.02 -1.26 -4.89 118.16 113.13 1joq n LYS 45 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1joq n LYS 45 Cb 0.94 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.95 1joq n LYS 45 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1joq s HIS 46 N 0.00 -1.42 0.11 2.13 5.65 -1.26 -4.43 115.29 116.06 1joq s HIS 46 Ca 0.00 0.08 0.04 0.00 0.25 0.00 0.00 55.06 55.43 1joq s HIS 46 Cb 0.00 0.26 -0.23 0.00 -1.18 0.00 0.00 32.58 31.43 1joq s HIS 46 CO 0.00 -0.99 1.24 -1.00 -0.65 0.00 0.00 174.74 173.33 1joq h PRO 47 N 6.30 0.08 0.00 2.88 0.13 -1.82 -3.47 132.00 136.10 1joq h PRO 47 Ca 0.03 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1joq h PRO 47 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1joq h PRO 47 CO 0.05 1.06 0.00 1.63 -0.23 0.00 0.00 178.00 180.51 1joq n LYS 48 N -3.40 0.00 -3.88 0.86 5.02 -1.26 -5.05 118.16 110.44 1joq n LYS 48 Ca -0.03 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.97 1joq n LYS 48 Cb 0.96 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.84 1joq n LYS 48 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1joq s LYS 49 N -2.00 1.98 0.83 1.97 2.20 -1.26 -5.07 119.74 118.39 1joq s LYS 49 Ca 0.00 -2.72 0.00 0.00 -0.36 0.00 0.00 55.97 52.89 1joq s LYS 49 Cb 0.00 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 1joq s LYS 49 CO 0.00 -1.18 0.00 0.41 -0.36 0.00 0.00 175.35 174.22 1joq n GLY 50 N 2.84 0.71 2.27 5.54 0.00 -1.26 -4.31 105.19 110.98 1joq n GLY 50 Ca 0.10 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.08 -2.40 1.61 0.31 -1.26 -4.38 118.33 112.29 1joq n VAL 51 Ca 0.00 -4.53 -0.20 0.00 -0.01 0.00 0.00 64.34 59.60 1joq n VAL 51 Cb 0.00 -0.99 0.02 0.00 -0.91 0.00 0.00 33.84 31.95 1joq n VAL 51 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1joq n GLU 52 N 0.62 2.95 0.00 5.55 0.28 -1.26 -4.61 120.64 124.17 1joq n GLU 52 Ca 0.25 -4.09 0.00 0.00 -0.16 0.00 0.00 57.16 53.15 1joq n GLU 52 Cb 0.58 -2.04 0.00 0.00 1.43 0.00 0.00 31.44 31.42 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 -0.51 0.00 -0.48 3.44 4.81 -1.26 -4.96 118.16 119.20 1joq n LYS 53 Ca 0.32 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.83 1joq n LYS 53 Cb 0.80 0.00 0.15 0.00 0.02 0.00 0.00 35.03 36.00 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1joq n TYR 54 N -2.27 0.00 0.14 5.64 4.01 -1.26 -4.78 117.16 118.64 1joq n TYR 54 Ca 0.00 -1.11 -0.14 0.00 -0.16 0.00 0.00 57.90 56.49 1joq n TYR 54 Cb 0.00 -0.19 -0.08 0.00 -0.31 0.00 0.00 39.34 38.76 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 0.56 -0.34 -7.51 2.72 0.00 -1.89 -3.33 103.07 93.28 1joq h GLY 55 Ca -0.02 0.13 -0.71 0.00 0.00 0.00 0.00 47.33 46.72 1joq h GLY 55 CO 0.01 -0.12 1.91 -1.55 0.00 0.00 0.00 176.54 176.78 1joq n PRO 56 N -5.17 3.28 0.15 4.80 -0.04 -1.26 -4.33 135.00 132.43 1joq n PRO 56 Ca -0.09 -3.49 0.00 0.00 -0.04 0.00 0.00 63.50 59.88 1joq n PRO 56 Cb 0.20 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 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 6.59 0.00 -0.19 0.54 2.13 -1.25 -4.88 120.64 123.59 1joq n GLU 57 Ca 0.43 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.15 1joq n GLU 57 Cb 0.43 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.15 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 0.74 0.43 4.31 0.00 -1.77 0.66 119.26 123.64 1joq h ALA 58 Ca 0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1joq h ALA 58 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1joq h ALA 58 CO 0.00 0.63 -0.21 1.03 0.00 0.00 0.00 179.25 180.70 1joq h SER 59 N 0.89 -0.49 0.25 0.00 0.87 -1.81 -2.50 113.55 110.76 1joq h SER 59 Ca 0.15 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 1joq h SER 59 Cb 0.63 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1joq h SER 59 CO 0.04 -0.18 -0.06 0.00 -0.53 0.00 0.00 176.83 176.11 1joq h ALA 60 N -0.37 1.29 0.48 6.23 0.00 -1.88 -0.57 119.26 124.44 1joq h ALA 60 Ca -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1joq h ALA 60 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1joq h ALA 60 CO 0.10 0.07 -0.23 0.35 0.00 0.00 0.00 179.25 179.54 1joq h PHE 61 N 0.00 -0.59 0.00 0.00 3.04 -0.50 -2.71 116.94 116.17 1joq h PHE 61 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1joq h PHE 61 Cb 0.20 0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1joq h PHE 61 CO 0.00 -0.37 0.00 0.00 -2.02 0.00 0.00 178.31 175.92 1joq h THR 62 N -0.79 0.00 0.44 4.41 1.03 -1.36 -2.39 112.91 114.25 1joq h THR 62 Ca -0.07 -0.31 -0.02 0.00 -0.01 0.00 0.00 66.41 66.01 1joq h THR 62 Cb 0.49 1.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 1joq h THR 62 CO 0.11 0.00 -0.21 0.50 -0.01 0.00 0.00 175.52 175.91 1joq h LYS 63 N 0.00 -0.56 0.00 0.00 3.11 -0.92 -0.83 116.57 117.37 1joq h LYS 63 Ca 0.00 0.04 -0.03 0.00 -2.81 0.00 0.00 60.65 57.85 1joq h LYS 63 Cb 0.32 0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 31.68 1joq h LYS 63 CO 0.00 -0.38 -0.12 0.87 -2.81 0.00 0.00 179.45 177.01 1joq h LYS 64 N -0.63 0.00 0.00 1.90 1.57 -1.47 -0.90 116.57 117.04 1joq h LYS 64 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1joq h LYS 64 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1joq h LYS 64 CO 0.10 0.12 0.00 -1.33 -0.57 0.00 0.00 179.45 177.77 1joq n MET 65 N -3.69 0.00 0.02 3.15 2.81 -0.90 -1.20 117.12 117.31 1joq n MET 65 Ca -0.02 0.19 0.20 0.00 -1.81 0.00 0.00 57.70 56.26 1joq n MET 65 Cb 0.24 -1.03 0.70 0.00 -0.71 0.00 0.00 33.22 32.42 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1joq h VAL 66 N 0.00 0.70 -0.31 2.03 -1.51 -1.22 0.19 116.25 116.14 1joq h VAL 66 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.37 1joq h VAL 66 Cb 0.00 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 29.88 1joq h VAL 66 CO 0.00 0.00 -0.22 -0.33 -1.23 0.00 0.00 177.57 175.79 1joq h GLU 67 N 0.00 0.59 -0.41 5.19 4.39 -1.18 -2.79 114.58 120.38 1joq h GLU 67 Ca 0.24 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1joq h GLU 67 Cb 0.97 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.59 1joq h GLU 67 CO -0.00 0.77 0.00 0.09 -1.16 0.00 0.00 179.01 178.71 1joq n ASN 68 N -4.13 3.43 -4.73 1.42 3.02 0.23 -4.94 115.26 109.56 1joq n ASN 68 Ca 0.00 -1.97 -0.41 0.00 -0.03 0.00 0.00 54.58 52.17 1joq n ASN 68 Cb 0.40 -0.26 -0.04 0.00 -0.61 0.00 0.00 39.78 39.27 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 -1.39 3.35 -0.11 5.41 0.00 0.41 -4.94 121.76 124.48 1joq s ALA 69 Ca 0.38 0.77 -0.06 0.00 0.00 0.00 0.00 51.96 53.05 1joq s ALA 69 Cb 0.22 -3.36 -0.26 0.00 0.00 0.00 0.00 23.12 19.72 1joq s ALA 69 CO 0.30 -0.23 0.39 1.63 0.00 0.00 0.00 175.76 177.85 1joq n LYS 70 N 2.82 0.76 -4.02 0.00 4.76 -1.26 -4.81 118.16 116.40 1joq n LYS 70 Ca 0.04 0.27 -0.35 0.00 -2.87 0.00 0.00 58.31 55.40 1joq n LYS 70 Cb 0.47 -1.72 -0.14 0.00 -1.84 0.00 0.00 35.03 31.80 1joq n LYS 70 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1joq s LYS 71 N -2.56 3.40 -0.20 1.97 1.02 -1.26 -4.97 119.74 117.14 1joq s LYS 71 Ca -0.21 -0.62 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1joq s LYS 71 Cb 0.07 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.44 1joq s LYS 71 CO 0.78 -0.13 -0.16 0.42 -0.92 0.00 0.00 175.35 175.34 1joq s ILE 72 N 1.29 1.99 0.15 2.17 1.09 -1.26 -2.08 121.20 124.55 1joq s ILE 72 Ca 0.04 -1.08 0.05 0.00 -1.10 0.00 0.00 60.65 58.56 1joq s ILE 72 Cb -0.14 -1.90 -0.04 0.00 -1.06 0.00 0.00 42.46 39.31 1joq s ILE 72 CO -0.02 0.36 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.46 1joq s GLU 73 N 1.28 1.10 -0.01 2.79 2.02 -1.06 -1.09 118.70 123.74 1joq s GLU 73 Ca 0.01 -1.44 0.06 0.00 0.02 0.00 0.00 54.97 53.62 1joq s GLU 73 Cb -0.15 -0.76 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 1joq s GLU 73 CO -0.10 0.11 -0.18 0.14 0.02 0.00 0.00 175.26 175.25 1joq s VAL 74 N -3.05 1.41 -0.39 2.63 -7.23 -0.30 -2.05 120.40 111.42 1joq s VAL 74 Ca 0.16 -0.77 -0.00 0.00 -1.81 0.00 0.00 61.98 59.56 1joq s VAL 74 Cb 0.01 -1.17 0.11 0.00 0.56 0.00 0.00 36.38 35.88 1joq s VAL 74 CO 0.02 0.39 0.16 -0.70 -0.31 0.00 0.00 175.10 174.66 1joq s GLU 75 N -0.45 1.83 0.55 4.82 2.12 -0.77 -2.50 118.70 124.31 1joq s GLU 75 Ca 0.07 -1.88 -0.19 0.00 0.36 0.00 0.00 54.97 53.33 1joq s GLU 75 Cb -0.07 -3.45 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 1joq s GLU 75 CO -0.01 -1.03 1.14 -0.06 -0.54 0.00 0.00 175.26 174.76 1joq s PHE 76 N 1.00 2.63 0.00 5.30 0.40 -1.26 -2.25 117.98 123.80 1joq s PHE 76 Ca 0.10 1.54 0.00 0.00 -0.60 0.00 0.00 56.93 57.97 1joq s PHE 76 Cb -0.21 -3.32 0.00 0.00 0.51 0.00 0.00 43.02 40.00 1joq s PHE 76 CO -0.05 -1.66 0.00 -3.47 0.70 0.00 0.00 175.22 170.73 1joq n ASP 77 N -1.33 0.00 0.02 1.36 -0.08 -1.26 -4.64 116.55 110.61 1joq n ASP 77 Ca 0.12 -0.36 0.11 0.00 -1.51 0.00 0.00 54.79 53.15 1joq n ASP 77 Cb 0.51 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.87 1joq n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 1joq n LYS 78 N -0.36 0.51 0.00 -0.67 0.00 -1.26 -4.92 118.16 111.46 1joq n LYS 78 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1joq n LYS 78 Cb 0.00 -1.58 0.00 0.00 -0.00 0.00 0.00 35.03 33.45 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 1.29 0.39 3.74 2.58 0.00 -1.26 -4.96 105.19 106.98 1joq n GLY 79 Ca -0.01 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 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 2.64 0.00 1.61 -1.52 -1.26 -4.91 119.66 116.21 1joq s GLN 80 Ca 0.00 1.95 0.24 0.00 -1.95 0.00 0.00 55.36 55.60 1joq s GLN 80 Cb 0.00 -1.87 0.21 0.00 -0.22 0.00 0.00 33.01 31.13 1joq s GLN 80 CO 0.00 -1.50 1.24 0.54 -0.25 0.00 0.00 175.29 175.32 1joq n ARG 81 N -1.90 1.58 -4.02 2.91 1.74 -1.26 -4.76 116.66 110.94 1joq n ARG 81 Ca 0.15 -1.26 -0.10 0.00 -0.77 0.00 0.00 57.85 55.88 1joq n ARG 81 Cb 0.49 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 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 -2.29 0.00 0.02 0.55 -4.23 -1.26 -2.16 115.64 106.27 1joq s THR 82 Ca 0.24 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 1joq s THR 82 Cb 0.19 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1joq s THR 82 CO 0.46 0.00 0.02 0.47 -0.54 0.00 0.00 174.62 175.03 1joq n ASP 83 N -0.41 0.60 0.00 3.99 8.00 -0.57 -4.85 116.55 123.30 1joq n ASP 83 Ca -0.01 -1.05 0.13 0.00 0.71 0.00 0.00 54.79 54.57 1joq n ASP 83 Cb 0.62 -0.01 0.76 0.00 -0.02 0.00 0.00 41.12 42.47 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1joq n LYS 84 N -0.76 0.84 0.00 -1.24 2.85 -1.26 -2.56 118.16 116.03 1joq n LYS 84 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1joq n LYS 84 Cb 0.02 -1.47 0.04 0.00 -0.65 0.00 0.00 35.03 32.96 1joq n LYS 84 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1joq n TYR 85 N -0.97 0.00 -0.63 5.58 4.01 -1.26 -4.96 117.16 118.93 1joq n TYR 85 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1joq n TYR 85 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.64 0.67 3.73 2.72 0.00 -1.06 -5.03 105.19 106.86 1joq n GLY 86 Ca 0.06 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.60 4.55 0.12 1.61 0.52 -1.26 -4.47 118.95 119.42 1joq s ARG 87 Ca 0.00 1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 56.10 1joq s ARG 87 Cb 0.00 -3.40 -0.07 0.00 0.52 0.00 0.00 34.95 32.00 1joq s ARG 87 CO 0.00 0.17 1.18 0.20 0.02 0.00 0.00 175.30 176.86 1joq s GLY 88 N 0.31 2.57 -0.27 -3.53 0.00 0.07 -1.52 107.32 104.95 1joq s GLY 88 Ca 0.43 0.86 -0.09 0.00 0.00 0.00 0.00 44.72 45.93 1joq s GLY 88 CO 0.25 1.91 0.12 1.08 0.00 0.00 0.00 173.10 176.46 1joq s LEU 89 N 0.42 3.76 -0.11 0.66 1.43 -0.92 -2.23 118.68 121.69 1joq s LEU 89 Ca 0.55 -0.24 -0.31 0.00 -1.03 0.00 0.00 54.13 53.11 1joq s LEU 89 Cb -0.30 -1.99 0.12 0.00 0.03 0.00 0.00 46.19 44.05 1joq s LEU 89 CO 0.32 -0.08 1.04 0.00 0.23 0.00 0.00 176.35 177.86 1joq s ALA 90 N 1.65 -1.94 -0.21 4.21 0.00 -1.26 -4.33 121.76 119.88 1joq s ALA 90 Ca 0.06 1.37 -0.26 0.00 0.00 0.00 0.00 51.96 53.13 1joq s ALA 90 Cb -0.16 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.85 1joq s ALA 90 CO 0.06 -0.55 0.90 0.71 0.00 0.00 0.00 175.76 176.88 1joq s TYR 91 N -2.33 3.36 0.23 0.00 2.02 -0.95 -4.43 117.35 115.25 1joq s TYR 91 Ca 0.05 1.29 -0.20 0.00 -0.37 0.00 0.00 57.07 57.84 1joq s TYR 91 Cb -0.01 -3.11 -0.08 0.00 -0.40 0.00 0.00 41.96 38.36 1joq s TYR 91 CO -0.05 -0.37 0.74 0.42 -1.57 0.00 0.00 175.55 174.72 1joq s ILE 92 N 2.70 4.55 -0.08 2.71 1.01 -1.26 -1.84 121.20 128.98 1joq s ILE 92 Ca 0.39 1.32 -0.00 0.00 0.00 0.00 0.00 60.65 62.35 1joq s ILE 92 Cb -0.16 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1joq s ILE 92 CO 0.09 0.20 -0.04 -0.31 0.00 0.00 0.00 174.94 174.88 1joq s TYR 93 N -1.53 0.99 -0.16 3.97 2.02 -0.87 -2.07 117.35 119.70 1joq s TYR 93 Ca 0.43 -0.38 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1joq s TYR 93 Cb -0.17 -0.93 -0.00 0.00 -0.40 0.00 0.00 41.96 40.46 1joq s TYR 93 CO 0.21 -0.36 -0.15 0.00 -1.57 0.00 0.00 175.55 173.68 1joq s ALA 94 N 1.64 2.51 -0.83 3.71 0.00 -0.43 -2.55 121.76 125.81 1joq s ALA 94 Ca 0.01 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1joq s ALA 94 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 23.12 21.74 1joq s ALA 94 CO -0.05 -0.06 0.00 -0.25 0.00 0.00 0.00 175.76 175.40 1joq n ASP 95 N 4.11 -5.63 0.00 0.00 8.00 -0.89 -1.40 116.55 120.73 1joq n ASP 95 Ca -0.19 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1joq n ASP 95 Cb 0.52 -3.82 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 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 0.23 1.40 3.07 0.44 0.00 -1.26 -5.02 105.19 104.04 1joq n GLY 96 Ca -0.08 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.05 1.15 -0.68 1.61 2.20 -0.50 -5.08 119.74 116.39 1joq s LYS 97 Ca 0.00 -0.44 -0.27 0.00 -0.36 0.00 0.00 55.97 54.91 1joq s LYS 97 Cb 0.00 -1.07 0.01 0.00 -1.51 0.00 0.00 37.83 35.26 1joq s LYS 97 CO 0.00 0.22 1.49 1.41 -0.36 0.00 0.00 175.35 178.11 1joq s MET 98 N -0.08 3.00 0.40 4.03 -2.45 -1.26 -1.32 119.30 121.63 1joq s MET 98 Ca 0.01 0.11 0.20 0.00 -1.25 0.00 0.00 55.69 54.76 1joq s MET 98 Cb -0.07 -4.25 1.15 0.00 1.25 0.00 0.00 34.83 32.91 1joq s MET 98 CO 0.00 -2.34 1.74 0.28 1.05 0.00 0.00 175.02 175.76 1joq h VAL 99 N 6.36 0.45 -0.42 10.11 2.07 -1.79 0.30 116.25 133.33 1joq h VAL 99 Ca -0.27 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1joq h VAL 99 Cb 1.09 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1joq h VAL 99 CO 1.25 0.06 0.25 0.78 0.02 0.00 0.00 177.57 179.93 1joq h ASN 100 N 0.34 0.50 1.32 0.57 4.21 -1.88 -1.47 115.58 119.17 1joq h ASN 100 Ca 0.64 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 58.09 1joq h ASN 100 Cb 1.69 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.76 1joq h ASN 100 CO -0.33 0.41 0.00 -0.08 -1.29 0.00 0.00 177.43 176.14 1joq h GLU 101 N 0.55 0.00 -0.22 0.81 4.81 -0.87 -2.78 114.58 116.87 1joq h GLU 101 Ca 0.15 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 1joq h GLU 101 Cb 0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1joq h GLU 101 CO -0.03 0.00 -0.34 0.00 -0.73 0.00 0.00 179.01 177.91 1joq h ALA 102 N 2.07 0.34 -0.19 2.92 0.00 -0.03 -1.34 119.26 123.05 1joq h ALA 102 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1joq h ALA 102 Cb 0.66 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1joq h ALA 102 CO 0.00 0.40 -0.23 -0.07 0.00 0.00 0.00 179.25 179.34 1joq h LEU 103 N 0.32 0.53 -1.16 0.00 3.38 -1.34 -2.61 115.31 114.44 1joq h LEU 103 Ca 0.02 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.50 1joq h LEU 103 Cb 0.93 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1joq h LEU 103 CO 0.08 0.93 0.57 0.58 0.09 0.00 0.00 178.44 180.69 1joq h VAL 104 N 0.15 1.22 -0.71 1.22 2.07 -1.51 0.03 116.25 118.72 1joq h VAL 104 Ca 0.02 -0.40 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1joq h VAL 104 Cb 0.80 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1joq h VAL 104 CO 0.06 0.21 0.19 -0.09 0.02 0.00 0.00 177.57 177.95 1joq h ARG 105 N 1.17 1.13 0.00 1.57 2.43 -1.14 -2.06 114.38 117.48 1joq h ARG 105 Ca 0.32 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1joq h ARG 105 Cb -0.14 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1joq h ARG 105 CO -0.07 0.99 0.00 1.96 -1.51 0.00 0.00 179.97 181.34 1joq h GLN 106 N 1.07 0.00 0.00 0.20 1.08 -0.98 -3.46 115.11 113.01 1joq h GLN 106 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1joq h GLN 106 Cb 0.36 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1joq h GLN 106 CO 0.00 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.29 1joq n GLY 107 N 0.77 0.63 1.28 3.46 0.00 -0.11 -4.40 105.19 106.82 1joq n GLY 107 Ca 0.04 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.47 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 0.00 3.98 -3.62 0.99 4.77 -0.58 -2.28 117.00 120.27 1joq n LEU 108 Ca 0.00 -2.13 -0.15 0.00 -0.03 0.00 0.00 56.01 53.70 1joq n LEU 108 Cb 0.02 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.57 1joq n LEU 108 CO 0.00 0.90 0.25 0.00 -1.33 0.00 0.00 177.39 177.21 1joq s ALA 109 N -1.24 -1.29 0.15 -1.18 0.00 -1.23 -4.61 121.76 112.36 1joq s ALA 109 Ca 0.45 0.75 0.07 0.00 0.00 0.00 0.00 51.96 53.23 1joq s ALA 109 Cb 0.25 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1joq s ALA 109 CO 0.28 -0.38 -0.16 0.15 0.00 0.00 0.00 175.76 175.65 1joq s LYS 110 N -1.67 1.16 0.19 0.00 1.02 -0.87 -4.39 119.74 115.18 1joq s LYS 110 Ca -0.10 -1.34 -0.30 0.00 0.02 0.00 0.00 55.97 54.25 1joq s LYS 110 Cb -0.02 -1.13 -0.08 0.00 -0.52 0.00 0.00 37.83 36.08 1joq s LYS 110 CO 0.04 0.22 1.23 0.08 -0.92 0.00 0.00 175.35 176.01 1joq s VAL 111 N -2.12 3.48 0.12 3.17 1.01 -1.26 -0.55 120.40 124.24 1joq s VAL 111 Ca 0.13 1.23 -0.09 0.00 0.00 0.00 0.00 61.98 63.25 1joq s VAL 111 Cb -0.05 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.58 1joq s VAL 111 CO 0.05 0.19 0.43 0.00 0.00 0.00 0.00 175.10 175.77 1joq n ALA 112 N 2.58 -1.07 -3.07 5.51 0.00 -1.01 -4.81 120.51 118.65 1joq n ALA 112 Ca 0.05 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.90 1joq n ALA 112 Cb 0.44 0.33 0.01 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.30 -2.26 -3.92 0.00 4.01 -1.26 -1.97 117.16 111.46 1joq n TYR 113 Ca -0.02 0.97 -0.32 0.00 -0.16 0.00 0.00 57.90 58.36 1joq n TYR 113 Cb 0.26 -2.52 -0.13 0.00 -0.31 0.00 0.00 39.34 36.64 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 -1.53 2.72 -0.34 -0.72 1.01 -1.26 -3.57 120.40 116.70 1joq s VAL 114 Ca 0.12 -2.61 0.02 0.00 0.00 0.00 0.00 61.98 59.51 1joq s VAL 114 Cb -0.02 -2.91 0.10 0.00 0.00 0.00 0.00 36.38 33.54 1joq s VAL 114 CO 0.53 -0.70 0.06 -0.31 0.00 0.00 0.00 175.10 174.68 1joq s TYR 115 N 0.53 3.67 0.94 5.22 1.51 -1.26 -5.06 117.35 122.90 1joq s TYR 115 Ca 0.13 -2.79 -0.11 0.00 -1.01 0.00 0.00 57.07 53.29 1joq s TYR 115 Cb -0.22 -2.87 0.12 0.00 -0.11 0.00 0.00 41.96 38.89 1joq s TYR 115 CO -0.05 -0.94 0.89 1.63 -1.11 0.00 0.00 175.55 175.98 1joq n LYS 116 N 4.35 -0.51 -0.37 -0.62 5.02 -1.26 -1.92 118.16 122.85 1joq n LYS 116 Ca 0.00 -0.09 -0.05 0.00 -2.02 0.00 0.00 58.31 56.15 1joq n LYS 116 Cb 0.42 -2.20 0.07 0.00 -0.02 0.00 0.00 35.03 33.30 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 -3.46 1.59 -2.09 1.97 -0.04 -1.26 -4.96 135.00 126.75 1joq n PRO 117 Ca 0.10 -0.97 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 1joq n PRO 117 Cb 0.53 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.03 4.37 -0.85 3.54 3.02 -0.81 -4.38 115.26 120.18 1joq n ASN 118 Ca 0.17 -2.90 0.02 0.00 -0.03 0.00 0.00 54.58 51.84 1joq n ASN 118 Cb 0.80 -1.66 0.03 0.00 -0.61 0.00 0.00 39.78 38.34 1joq n ASN 118 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1joq n ASN 119 N 6.41 0.60 0.30 6.41 4.13 -1.26 -4.60 115.26 127.25 1joq n ASN 119 Ca 0.49 -2.16 0.16 0.00 1.68 0.00 0.00 54.58 54.75 1joq n ASN 119 Cb 0.41 -0.27 0.94 0.00 -1.54 0.00 0.00 39.78 39.32 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 6.28 0.49 -0.70 3.41 2.02 -2.01 -2.54 112.91 119.86 1joq h THR 120 Ca -0.09 -0.01 -0.44 0.00 0.77 0.00 0.00 66.41 66.64 1joq h THR 120 Cb 1.55 1.01 -0.42 0.00 -1.74 0.00 0.00 68.15 68.55 1joq h THR 120 CO 0.04 0.00 -0.93 1.41 0.37 0.00 0.00 175.52 176.41 1joq n HIS 121 N -3.79 2.21 0.03 3.16 8.25 -1.26 -4.80 115.22 119.03 1joq n HIS 121 Ca -0.03 -2.27 -0.22 0.00 -0.26 0.00 0.00 57.72 54.94 1joq n HIS 121 Cb 0.08 -0.29 -0.14 0.00 1.12 0.00 0.00 29.99 30.76 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 2.38 0.32 0.42 -0.41 4.57 -1.79 -3.29 114.58 116.77 1joq h GLU 122 Ca 0.17 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.79 1joq h GLU 122 Cb 1.40 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 1joq h GLU 122 CO 0.55 1.26 -0.20 1.96 -1.18 0.00 0.00 179.01 181.40 1joq h GLN 123 N 0.06 -0.54 -0.25 1.92 7.50 -1.87 -0.91 115.11 121.02 1joq h GLN 123 Ca -0.39 0.04 0.05 0.00 0.50 0.00 0.00 58.65 58.85 1joq h GLN 123 Cb 2.04 0.12 -0.07 0.00 0.05 0.00 0.00 27.48 29.62 1joq h GLN 123 CO 0.12 -0.28 -0.48 1.25 -1.50 0.00 0.00 178.83 177.94 1joq h LEU 124 N -0.72 -1.55 -1.93 1.46 5.85 -1.92 0.33 115.31 116.83 1joq h LEU 124 Ca -0.06 0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1joq h LEU 124 Cb 0.51 0.64 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1joq h LEU 124 CO 0.09 -0.43 0.26 -0.07 -0.34 0.00 0.00 178.44 177.96 1joq h LEU 125 N -0.46 0.07 0.76 2.25 3.38 -1.62 -1.94 115.31 117.76 1joq h LEU 125 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 1joq h LEU 125 Cb 0.63 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1joq h LEU 125 CO -0.49 0.05 -0.47 -0.09 0.09 0.00 0.00 178.44 177.53 1joq h ARG 126 N 0.08 -1.12 -0.38 1.13 2.43 0.11 0.86 114.38 117.50 1joq h ARG 126 Ca 0.17 0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1joq h ARG 126 Cb 0.59 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.37 1joq h ARG 126 CO -0.02 -0.75 0.22 1.57 -1.51 0.00 0.00 179.97 179.49 1joq h LYS 127 N -1.16 0.51 0.00 0.20 2.10 -0.98 -0.34 116.57 116.90 1joq h LYS 127 Ca -0.10 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.46 1joq h LYS 127 Cb 0.93 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1joq h LYS 127 CO 0.10 0.37 -0.22 0.77 -2.00 0.00 0.00 179.45 178.46 1joq h SER 128 N 0.52 0.00 0.09 7.07 0.02 -0.85 -2.35 113.55 118.05 1joq h SER 128 Ca 0.14 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1joq h SER 128 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1joq h SER 128 CO -0.02 0.22 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.77 1joq h GLU 129 N 0.00 -0.12 -0.73 3.45 4.22 0.93 -2.60 114.58 119.73 1joq h GLU 129 Ca -0.00 0.01 0.16 0.00 0.08 0.00 0.00 59.36 59.60 1joq h GLU 129 Cb 0.55 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1joq h GLU 129 CO 0.03 0.38 0.49 0.00 -2.18 0.00 0.00 179.01 177.73 1joq h ALA 130 N -0.33 2.21 -0.16 2.92 0.00 -1.40 -0.05 119.26 122.44 1joq h ALA 130 Ca -0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1joq h ALA 130 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1joq h ALA 130 CO 0.02 -0.41 -0.01 0.37 0.00 0.00 0.00 179.25 179.22 1joq h GLN 131 N 0.33 0.29 -0.62 0.00 4.15 -1.43 -2.44 115.11 115.39 1joq h GLN 131 Ca 0.36 -0.10 0.08 0.00 0.77 0.00 0.00 58.65 59.76 1joq h GLN 131 Cb 0.92 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.55 1joq h GLN 131 CO -0.10 0.53 0.41 0.00 -1.93 0.00 0.00 178.83 177.75 1joq h ALA 132 N 0.75 1.89 0.27 3.38 0.00 -0.63 -1.00 119.26 123.92 1joq h ALA 132 Ca 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1joq h ALA 132 Cb 0.40 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1joq h ALA 132 CO 0.01 -0.01 -0.13 0.87 0.00 0.00 0.00 179.25 180.00 1joq h LYS 133 N 0.53 -0.34 0.00 0.00 1.57 -0.87 -0.28 116.57 117.18 1joq h LYS 133 Ca 0.28 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1joq h LYS 133 Cb 0.40 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1joq h LYS 133 CO -0.08 -0.15 0.00 0.87 -0.57 0.00 0.00 179.45 179.51 1joq h LYS 134 N -0.46 0.00 0.00 3.15 1.57 -0.90 -1.21 116.57 118.71 1joq h LYS 134 Ca -0.04 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.51 1joq h LYS 134 Cb 0.35 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 1joq h LYS 134 CO 0.06 0.00 -1.25 0.93 -0.57 0.00 0.00 179.45 178.62 1joq h GLU 135 N 0.00 0.00 -5.91 3.15 5.08 -0.16 -3.48 114.58 113.25 1joq h GLU 135 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 1joq h GLU 135 Cb 0.14 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.48 1joq h GLU 135 CO 0.00 0.77 -0.74 1.63 -1.00 0.00 0.00 179.01 179.68 1joq n LYS 136 N -3.22 -1.51 -4.73 2.33 5.02 -0.22 -4.87 118.16 110.96 1joq n LYS 136 Ca -0.06 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.71 1joq n LYS 136 Cb 0.97 -4.68 -0.12 0.00 -0.02 0.00 0.00 35.03 31.17 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 -5.52 2.96 0.00 -0.35 1.43 -1.25 -3.16 118.68 112.79 1joq s LEU 137 Ca 0.32 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1joq s LEU 137 Cb -0.09 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.50 1joq s LEU 137 CO 0.81 0.33 0.00 -0.46 0.23 0.00 0.00 176.35 177.26 1joq n ASN 138 N 2.45 0.00 0.44 2.29 0.23 -1.26 -1.16 115.26 118.26 1joq n ASN 138 Ca -0.18 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 53.70 1joq n ASN 138 Cb 0.53 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.14 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1joq h ILE 139 N 0.00 0.00 0.00 1.53 2.04 -1.78 -2.43 117.51 116.87 1joq h ILE 139 Ca 0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1joq h ILE 139 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 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 -5.25 0.00 0.25 1.37 7.02 -0.31 -3.03 117.44 117.49 1joq n TRP 140 Ca -0.14 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.46 1joq n TRP 140 Cb 0.45 0.00 0.65 0.00 -2.42 0.00 0.00 31.31 29.99 1joq n TRP 140 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1joq h SER 141 N 0.00 0.00 -3.47 -0.99 0.87 -1.28 -3.35 113.55 105.33 1joq h SER 141 Ca 0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 1joq h SER 141 Cb 0.00 0.00 0.16 0.00 -0.44 0.00 0.00 62.40 62.12 1joq h SER 141 CO 0.00 0.14 0.29 -0.62 -0.53 0.00 0.00 176.83 176.12 1joq n GLU 142 N -3.47 -1.64 -2.68 2.24 1.02 -1.17 -4.89 120.64 110.05 1joq n GLU 142 Ca -0.01 -1.72 -0.18 0.00 -0.02 0.00 0.00 57.16 55.23 1joq n GLU 142 Cb 0.31 -1.26 0.01 0.00 -0.02 0.00 0.00 31.44 30.47 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 -4.00 2.77 -4.30 1.62 -0.08 -1.26 -5.04 116.55 106.26 1joq n ASP 143 Ca 0.14 -3.18 -0.20 0.00 -1.51 0.00 0.00 54.79 50.04 1joq n ASP 143 Cb 0.51 -0.52 -0.11 0.00 2.34 0.00 0.00 41.12 43.34 1joq n ASP 143 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 1joq s ASN 144 N -3.22 2.39 0.00 1.67 0.01 -1.26 -5.06 114.94 109.47 1joq s ASN 144 Ca 0.38 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.67 1joq s ASN 144 Cb 0.41 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.95 1joq s ASN 144 CO -0.07 -0.09 0.00 0.00 -1.51 0.00 0.00 177.10 175.43 1joq n ALA 145 N 0.33 1.46 -2.05 0.60 0.00 -1.26 -5.02 120.51 114.57 1joq n ALA 145 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 1joq n ALA 145 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 1joq n ALA 145 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1joq n ASP 146 N -2.19 -0.11 -4.48 0.00 -0.08 -1.26 -5.08 116.55 103.36 1joq n ASP 146 Ca 0.00 -1.54 -0.46 0.00 -1.51 0.00 0.00 54.79 51.28 1joq n ASP 146 Cb 0.00 -0.01 -0.07 0.00 2.34 0.00 0.00 41.12 43.38 1joq n ASP 146 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1joq n SER 147 N 0.05 1.97 0.00 1.67 7.64 -1.26 -4.60 113.62 119.09 1joq n SER 147 Ca -0.05 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.01 1joq n SER 147 Cb 0.66 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1joq n GLY 148 N 6.40 0.09 0.34 0.23 0.00 -1.26 -5.23 105.19 105.75 1joq n GLY 148 Ca 0.43 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.63 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26