#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 0.92 0.00 -2.24 -1.26 -4.31 114.28 107.39 1joq n THR 2 Ca 0.00 -0.21 0.12 0.00 -2.27 0.00 0.00 64.05 61.69 1joq n THR 2 Cb 0.00 1.03 0.19 0.00 -2.10 0.00 0.00 70.33 69.45 1joq n THR 2 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1joq n SER 3 N -1.09 2.86 -3.64 3.42 2.88 -1.26 -4.91 113.62 111.88 1joq n SER 3 Ca 0.03 -1.92 -0.06 0.00 -1.33 0.00 0.00 58.87 55.59 1joq n SER 3 Cb 0.23 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.56 1joq n SER 3 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1joq s THR 4 N -1.88 0.00 -0.37 2.46 2.01 -1.26 -5.12 115.64 111.48 1joq s THR 4 Ca 0.32 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.35 1joq s THR 4 Cb 0.21 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.87 1joq s THR 4 CO 0.31 0.00 0.38 -1.59 -0.69 0.00 0.00 174.62 173.03 1joq s LYS 5 N 1.06 0.63 -0.30 4.92 -2.85 -1.26 -4.64 119.74 117.30 1joq s LYS 5 Ca -0.06 -0.79 -0.04 0.00 -1.00 0.00 0.00 55.97 54.08 1joq s LYS 5 Cb -0.04 -0.69 0.18 0.00 -2.06 0.00 0.00 37.83 35.22 1joq s LYS 5 CO -0.13 -1.18 0.70 0.21 0.10 0.00 0.00 175.35 175.04 1joq s LYS 6 N 1.51 0.49 1.40 1.78 2.47 -1.26 -5.16 119.74 120.97 1joq s LYS 6 Ca 0.16 0.90 -0.21 0.00 -1.56 0.00 0.00 55.97 55.26 1joq s LYS 6 Cb -0.15 0.50 0.36 0.00 -1.46 0.00 0.00 37.83 37.09 1joq s LYS 6 CO -0.05 -0.51 0.90 1.28 0.16 0.00 0.00 175.35 177.13 1joq n LEU 7 N 5.43 -0.78 -4.25 5.43 4.77 -1.26 -5.01 117.00 121.32 1joq n LEU 7 Ca -0.03 -0.68 -0.32 0.00 -0.03 0.00 0.00 56.01 54.95 1joq n LEU 7 Cb 0.51 -1.07 -0.17 0.00 -2.33 0.00 0.00 43.42 40.37 1joq n LEU 7 CO -0.00 -4.28 -0.56 -1.38 -1.33 0.00 0.00 177.39 169.84 1joq s HIS 8 N -2.19 2.49 -0.16 -1.77 -3.43 -1.26 -5.10 115.29 103.86 1joq s HIS 8 Ca 0.68 -0.84 -0.06 0.00 -0.80 0.00 0.00 55.06 54.04 1joq s HIS 8 Cb -0.16 -1.64 -0.04 0.00 -1.43 0.00 0.00 32.58 29.31 1joq s HIS 8 CO 0.59 -0.29 0.04 0.15 -2.00 0.00 0.00 174.74 173.23 1joq s LYS 9 N 0.02 3.73 0.24 -0.38 1.02 -1.26 -3.79 119.74 119.31 1joq s LYS 9 Ca -0.09 -0.37 0.11 0.00 0.02 0.00 0.00 55.97 55.64 1joq s LYS 9 Cb -0.15 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1joq s LYS 9 CO 0.06 0.37 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.52 1joq s GLU 10 N 0.06 1.91 0.79 1.68 8.01 -0.75 -4.94 118.70 125.47 1joq s GLU 10 Ca 0.04 -1.52 -0.12 0.00 0.01 0.00 0.00 54.97 53.38 1joq s GLU 10 Cb -0.12 -1.98 0.07 0.00 -4.31 0.00 0.00 34.13 27.78 1joq s GLU 10 CO 0.01 0.37 1.14 -1.25 0.01 0.00 0.00 175.26 175.55 1joq s PRO 11 N -3.28 2.14 0.28 0.39 0.04 -1.26 -0.24 135.00 133.07 1joq s PRO 11 Ca 0.28 0.28 -0.20 0.00 0.04 0.00 0.00 61.00 61.40 1joq s PRO 11 Cb -0.07 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.54 1joq s PRO 11 CO 0.16 -1.50 0.70 0.00 0.04 0.00 0.00 177.00 176.39 1joq s ALA 12 N -3.45 -1.08 -0.03 8.56 0.00 0.13 -4.59 121.76 121.31 1joq s ALA 12 Ca 0.61 -0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.23 1joq s ALA 12 Cb -0.12 0.86 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1joq s ALA 12 CO 0.51 -1.02 -0.23 0.99 0.00 0.00 0.00 175.76 176.01 1joq s THR 13 N -3.82 1.84 -0.42 0.00 2.01 -0.94 -4.46 115.64 109.85 1joq s THR 13 Ca 0.13 -0.98 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 1joq s THR 13 Cb -0.05 -1.54 0.01 0.00 0.01 0.00 0.00 72.50 70.92 1joq s THR 13 CO 0.08 0.52 1.38 -0.22 -0.69 0.00 0.00 174.62 175.69 1joq s LEU 14 N -0.37 3.59 -0.03 4.42 1.98 -1.26 -1.36 118.68 125.65 1joq s LEU 14 Ca 0.04 0.79 -0.03 0.00 -2.89 0.00 0.00 54.13 52.03 1joq s LEU 14 Cb -0.11 -3.54 -0.01 0.00 0.66 0.00 0.00 46.19 43.19 1joq s LEU 14 CO 0.01 -1.41 -0.07 -0.38 -1.89 0.00 0.00 176.35 172.61 1joq n ILE 15 N 7.05 0.30 -3.66 6.68 5.41 -0.74 -4.95 119.36 129.45 1joq n ILE 15 Ca 0.16 0.42 -0.06 0.00 1.00 0.00 0.00 62.75 64.28 1joq n ILE 15 Cb 0.48 -1.66 -0.07 0.00 -0.71 0.00 0.00 39.64 37.68 1joq n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1joq s LYS 16 N -1.37 0.42 0.54 0.38 2.20 -1.03 -5.02 119.74 115.86 1joq s LYS 16 Ca -0.06 1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 56.57 1joq s LYS 16 Cb 0.01 0.53 -0.06 0.00 -1.51 0.00 0.00 37.83 36.80 1joq s LYS 16 CO 0.08 -0.23 1.04 0.00 -0.36 0.00 0.00 175.35 175.88 1joq s ALA 17 N 2.70 2.84 0.06 3.13 0.00 -1.26 -1.65 121.76 127.58 1joq s ALA 17 Ca -0.03 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.35 1joq s ALA 17 Cb -0.12 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1joq s ALA 17 CO -0.15 -0.53 0.00 -0.89 0.00 0.00 0.00 175.76 174.19 1joq n ILE 18 N -1.58 0.73 -3.39 0.00 5.41 -1.00 -4.88 119.36 114.65 1joq n ILE 18 Ca 0.08 0.24 0.00 0.00 1.00 0.00 0.00 62.75 64.08 1joq n ILE 18 Cb 0.53 -1.34 0.00 0.00 -0.71 0.00 0.00 39.64 38.12 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 -3.09 1.75 0.17 4.38 9.92 -0.91 -4.94 116.55 123.83 1joq n ASP 19 Ca 0.00 -0.39 0.09 0.00 -0.53 0.00 0.00 54.79 53.95 1joq n ASP 19 Cb 0.00 0.00 0.08 0.00 -0.64 0.00 0.00 41.12 40.56 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1joq h GLY 20 N 0.00 0.00 -0.99 0.44 0.00 -1.78 -3.31 103.07 97.43 1joq h GLY 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1joq h GLY 20 CO 0.00 0.00 -0.46 1.22 0.00 0.00 0.00 176.54 177.30 1joq n ASP 21 N -3.04 1.73 -3.69 0.19 9.92 -1.26 -4.74 116.55 115.66 1joq n ASP 21 Ca 0.02 -3.57 -0.11 0.00 -0.53 0.00 0.00 54.79 50.61 1joq n ASP 21 Cb 0.61 -0.49 -0.10 0.00 -0.64 0.00 0.00 41.12 40.50 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 -2.84 -0.01 -0.09 -3.53 2.01 -1.25 -1.68 115.64 108.26 1joq s THR 22 Ca 0.36 0.05 -0.19 0.00 0.31 0.00 0.00 61.69 62.22 1joq s THR 22 Cb 0.35 -0.70 0.04 0.00 0.01 0.00 0.00 72.50 72.20 1joq s THR 22 CO -0.06 0.02 0.45 0.68 -0.69 0.00 0.00 174.62 175.02 1joq s VAL 23 N 1.12 0.02 -0.29 3.82 -7.23 -0.85 -2.14 120.40 114.85 1joq s VAL 23 Ca -0.07 -0.19 -0.15 0.00 -1.81 0.00 0.00 61.98 59.76 1joq s VAL 23 Cb -0.06 -0.71 -0.03 0.00 0.56 0.00 0.00 36.38 36.14 1joq s VAL 23 CO -0.10 -0.10 0.38 -0.54 -0.31 0.00 0.00 175.10 174.42 1joq s LYS 24 N -0.66 3.88 0.11 4.82 1.02 -0.66 -1.30 119.74 126.95 1joq s LYS 24 Ca -0.08 -0.09 0.06 0.00 0.02 0.00 0.00 55.97 55.89 1joq s LYS 24 Cb -0.03 -3.70 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 1joq s LYS 24 CO 0.04 -0.36 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.44 1joq s LEU 25 N 2.08 2.37 0.23 3.17 1.43 -0.86 -1.78 118.68 125.32 1joq s LEU 25 Ca 0.14 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 1joq s LEU 25 Cb -0.16 -0.60 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 1joq s LEU 25 CO 0.11 -0.10 0.97 -0.32 0.23 0.00 0.00 176.35 177.23 1joq s MET 26 N -2.40 4.81 -0.18 1.70 -2.45 -0.46 -2.56 119.30 117.75 1joq s MET 26 Ca 0.07 1.53 -0.05 0.00 -1.25 0.00 0.00 55.69 56.00 1joq s MET 26 Cb -0.07 -3.28 0.09 0.00 1.25 0.00 0.00 34.83 32.82 1joq s MET 26 CO 0.03 0.44 0.32 -0.47 1.05 0.00 0.00 175.02 176.38 1joq s TYR 27 N -1.03 -0.57 0.00 4.11 5.04 -0.64 -2.22 117.35 122.04 1joq s TYR 27 Ca 0.42 0.98 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1joq s TYR 27 Cb -0.27 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.05 1joq s TYR 27 CO 0.33 -0.49 0.00 1.63 -1.34 0.00 0.00 175.55 175.68 1joq n LYS 28 N 5.36 -1.05 0.00 4.97 4.01 -1.26 -1.61 118.16 128.58 1joq n LYS 28 Ca -0.06 0.26 0.00 0.00 -0.51 0.00 0.00 58.31 58.00 1joq n LYS 28 Cb 0.50 -4.22 0.00 0.00 -0.51 0.00 0.00 35.03 30.80 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 -0.70 0.31 3.58 0.72 0.00 -1.26 -5.06 105.19 102.77 1joq n GLY 29 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1joq n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1joq s GLN 30 N -0.82 3.25 -0.33 1.61 -2.07 -0.63 -5.07 119.66 115.60 1joq s GLN 30 Ca 0.00 -0.49 -0.29 0.00 -1.82 0.00 0.00 55.36 52.76 1joq s GLN 30 Cb 0.00 -2.81 0.01 0.00 -1.09 0.00 0.00 33.01 29.12 1joq s GLN 30 CO 0.00 0.49 1.25 -1.25 -1.32 0.00 0.00 175.29 174.45 1joq s PRO 31 N -0.30 3.91 0.12 9.60 0.04 -1.26 -1.62 135.00 145.49 1joq s PRO 31 Ca 0.05 1.13 0.07 0.00 0.04 0.00 0.00 61.00 62.30 1joq s PRO 31 Cb -0.12 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 1joq s PRO 31 CO 0.02 -1.13 -0.18 -1.64 0.04 0.00 0.00 177.00 174.12 1joq s MET 32 N 4.13 1.11 -0.47 4.56 -1.94 -1.06 -4.98 119.30 120.66 1joq s MET 32 Ca 0.54 -1.23 -0.17 0.00 -1.71 0.00 0.00 55.69 53.12 1joq s MET 32 Cb -0.15 -1.18 0.05 0.00 2.01 0.00 0.00 34.83 35.56 1joq s MET 32 CO 0.23 0.25 0.45 0.99 -0.01 0.00 0.00 175.02 176.93 1joq s THR 33 N -1.69 5.12 -0.02 2.05 2.01 -1.26 -2.03 115.64 119.81 1joq s THR 33 Ca 0.09 -0.74 -0.21 0.00 0.31 0.00 0.00 61.69 61.13 1joq s THR 33 Cb -0.07 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.25 1joq s THR 33 CO 0.04 -0.58 0.63 -0.36 -0.69 0.00 0.00 174.62 173.66 1joq s PHE 34 N 2.00 3.66 -0.01 4.92 0.08 -0.42 -1.45 117.98 126.75 1joq s PHE 34 Ca 0.08 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.39 1joq s PHE 34 Cb -0.21 -2.67 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 1joq s PHE 34 CO 0.10 0.28 -0.12 0.50 -0.10 0.00 0.00 175.22 175.87 1joq s ARG 35 N 0.07 2.43 0.23 0.44 6.06 -0.96 -2.01 118.95 125.21 1joq s ARG 35 Ca 0.33 -0.76 -0.31 0.00 -2.50 0.00 0.00 55.73 52.48 1joq s ARG 35 Cb -0.18 -2.38 -0.12 0.00 0.06 0.00 0.00 34.95 32.33 1joq s ARG 35 CO 0.18 0.60 1.68 -0.51 -2.50 0.00 0.00 175.30 174.74 1joq s LEU 36 N -1.10 4.36 0.26 -0.88 1.43 -0.68 -4.06 118.68 118.02 1joq s LEU 36 Ca 0.14 2.88 -0.09 0.00 -1.03 0.00 0.00 54.13 56.03 1joq s LEU 36 Cb -0.11 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.44 1joq s LEU 36 CO 0.04 -0.95 0.57 -0.76 0.23 0.00 0.00 176.35 175.48 1joq s LEU 37 N 0.68 4.11 0.00 1.79 1.43 -1.26 -3.98 118.68 121.46 1joq s LEU 37 Ca 0.71 0.89 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1joq s LEU 37 Cb -0.49 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.05 1joq s LEU 37 CO 0.37 -0.13 0.00 0.18 0.23 0.00 0.00 176.35 177.00 1joq n LEU 38 N -0.42 0.57 -4.26 1.79 4.77 -1.26 -4.95 117.00 113.24 1joq n LEU 38 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.84 1joq n LEU 38 Cb 0.53 -1.14 -0.10 0.00 -2.33 0.00 0.00 43.42 40.38 1joq n LEU 38 CO 0.46 -0.39 -0.40 0.68 -1.33 0.00 0.00 177.39 176.41 1joq s VAL 39 N -1.98 1.14 -0.11 4.08 -7.23 -1.25 -2.36 120.40 112.68 1joq s VAL 39 Ca 0.00 -2.06 -0.09 0.00 -1.81 0.00 0.00 61.98 58.02 1joq s VAL 39 Cb 0.00 -1.92 0.03 0.00 0.56 0.00 0.00 36.38 35.05 1joq s VAL 39 CO 0.00 -0.69 0.29 -0.62 -0.31 0.00 0.00 175.10 173.78 1joq s ASP 40 N -3.19 -0.31 0.80 4.85 2.15 -0.22 -4.69 116.67 116.07 1joq s ASP 40 Ca 0.18 0.60 -0.11 0.00 0.43 0.00 0.00 52.55 53.65 1joq s ASP 40 Cb 0.03 0.58 0.07 0.00 -0.30 0.00 0.00 42.92 43.31 1joq s ASP 40 CO 0.02 -0.12 1.09 0.42 -0.17 0.00 0.00 175.17 176.41 1joq s THR 41 N 0.38 3.18 0.00 1.71 -4.23 -1.26 -2.25 115.64 113.16 1joq s THR 41 Ca -0.02 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1joq s THR 41 Cb -0.04 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.79 1joq s THR 41 CO -0.02 -0.50 0.00 -0.81 -0.54 0.00 0.00 174.62 172.75 1joq n PRO 42 N -3.51 0.19 -1.42 3.99 -0.04 -1.26 -4.89 135.00 128.05 1joq n PRO 42 Ca 0.07 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.10 1joq n PRO 42 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 1joq n PRO 42 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1joq n GLU 43 N -0.70 0.39 -2.83 0.54 4.71 -1.26 -4.92 120.64 116.57 1joq n GLU 43 Ca 0.00 0.14 -0.11 0.00 -0.01 0.00 0.00 57.16 57.18 1joq n GLU 43 Cb 0.00 -1.30 0.06 0.00 -1.01 0.00 0.00 31.44 29.19 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1joq n THR 44 N -0.54 0.05 -2.28 2.62 -2.24 -1.26 -4.83 114.28 105.80 1joq n THR 44 Ca 0.13 -2.42 -0.35 0.00 -2.27 0.00 0.00 64.05 59.14 1joq n THR 44 Cb 0.35 0.89 0.02 0.00 -2.10 0.00 0.00 70.33 69.49 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 0.13 3.36 -1.45 -0.78 4.01 -1.26 -5.00 118.16 117.16 1joq n LYS 45 Ca 0.09 -4.10 -0.45 0.00 -0.51 0.00 0.00 58.31 53.34 1joq n LYS 45 Cb 0.73 -2.29 -0.12 0.00 -0.51 0.00 0.00 35.03 32.84 1joq n LYS 45 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1joq n HIS 46 N -0.43 0.87 -0.04 2.13 -0.00 -1.26 -4.77 115.22 111.72 1joq n HIS 46 Ca 0.46 0.43 -0.09 0.00 0.46 0.00 0.00 57.72 58.98 1joq n HIS 46 Cb 0.38 -2.40 -0.08 0.00 -0.12 0.00 0.00 29.99 27.77 1joq n HIS 46 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1joq h PRO 47 N 12.22 -0.05 0.00 1.57 0.13 -1.95 -3.49 132.00 140.44 1joq h PRO 47 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 1joq h PRO 47 Cb 1.33 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1joq h PRO 47 CO 1.27 0.53 0.00 1.17 -0.23 0.00 0.00 178.00 180.74 1joq n LYS 48 N -4.73 0.00 -2.45 0.86 0.00 -1.26 -4.98 118.16 105.59 1joq n LYS 48 Ca -0.07 0.00 -0.37 0.00 0.00 0.00 0.00 58.31 57.87 1joq n LYS 48 Cb 0.29 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.33 1joq n LYS 48 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 1joq n LYS 49 N -3.04 4.07 -0.86 1.64 2.85 -1.26 -5.03 118.16 116.53 1joq n LYS 49 Ca 0.00 -4.34 0.11 0.00 -1.05 0.00 0.00 58.31 53.03 1joq n LYS 49 Cb 0.00 -2.35 -0.04 0.00 -0.65 0.00 0.00 35.03 31.99 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1joq n GLY 50 N -0.28 -2.30 0.08 2.58 0.00 -1.26 -4.74 105.19 99.28 1joq n GLY 50 Ca 0.46 -1.27 0.01 0.00 0.00 0.00 0.00 46.02 45.22 1joq n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1joq n VAL 51 N -3.52 0.00 -4.83 1.61 3.14 -1.26 -4.60 118.33 108.87 1joq n VAL 51 Ca -0.02 -0.49 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1joq n VAL 51 Cb 0.40 1.04 0.00 0.00 -1.06 0.00 0.00 33.84 34.22 1joq n VAL 51 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1joq n GLU 52 N -0.08 0.00 -1.59 1.45 4.71 -1.26 -4.85 120.64 119.01 1joq n GLU 52 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.03 1joq n GLU 52 Cb 0.05 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.44 1joq n GLU 52 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1joq n LYS 53 N -1.63 -0.94 -0.93 3.49 3.00 -1.26 -1.70 118.16 118.20 1joq n LYS 53 Ca 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 1joq n LYS 53 Cb 0.00 -4.98 0.00 0.00 0.00 0.00 0.00 35.03 30.05 1joq n LYS 53 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1joq n TYR 54 N -2.96 0.00 -0.35 5.64 4.19 -1.26 -4.85 117.16 117.57 1joq n TYR 54 Ca -0.14 0.00 0.01 0.00 3.31 0.00 0.00 57.90 61.08 1joq n TYR 54 Cb 0.48 -1.13 0.07 0.00 0.49 0.00 0.00 39.34 39.24 1joq n TYR 54 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1joq h GLY 55 N 0.00 0.27 -5.19 2.98 0.00 -1.66 -3.35 103.07 96.12 1joq h GLY 55 Ca 0.00 0.44 -0.58 0.00 0.00 0.00 0.00 47.33 47.19 1joq h GLY 55 CO 0.00 -0.26 0.68 2.56 0.00 0.00 0.00 176.54 179.52 1joq s PRO 56 N -6.06 4.27 0.00 4.80 0.04 -1.26 -4.60 135.00 132.19 1joq s PRO 56 Ca -0.14 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1joq s PRO 56 Cb 0.22 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1joq s PRO 56 CO 0.73 -0.55 0.00 0.39 0.04 0.00 0.00 177.00 177.61 1joq n GLU 57 N 6.03 0.00 -0.24 4.56 -0.58 -1.26 -4.95 120.64 124.20 1joq n GLU 57 Ca 0.10 0.00 0.17 0.00 -0.42 0.00 0.00 57.16 57.01 1joq n GLU 57 Cb 0.47 0.00 0.48 0.00 -0.57 0.00 0.00 31.44 31.81 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1joq h ALA 58 N 0.00 2.10 0.72 0.62 0.00 -1.87 -1.31 119.26 119.51 1joq h ALA 58 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1joq h ALA 58 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1joq h ALA 58 CO 0.00 -0.36 -0.42 0.77 0.00 0.00 0.00 179.25 179.24 1joq h SER 59 N 0.48 -1.04 -0.08 0.00 0.02 -1.89 -2.04 113.55 108.99 1joq h SER 59 Ca 0.46 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.48 1joq h SER 59 Cb 1.02 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 1joq h SER 59 CO -0.18 -0.66 0.08 0.00 -1.14 0.00 0.00 176.83 174.93 1joq h ALA 60 N -1.33 1.74 0.55 3.77 0.00 -1.76 -1.99 119.26 120.25 1joq h ALA 60 Ca -0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1joq h ALA 60 Cb 0.84 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1joq h ALA 60 CO 0.11 -0.13 -0.32 0.35 0.00 0.00 0.00 179.25 179.27 1joq h PHE 61 N 0.00 -0.85 0.00 0.00 3.57 -0.54 -1.99 116.94 117.13 1joq h PHE 61 Ca 0.04 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1joq h PHE 61 Cb 0.20 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1joq h PHE 61 CO 0.00 -0.49 0.00 1.15 -2.23 0.00 0.00 178.31 176.74 1joq h THR 62 N -0.81 0.00 0.62 4.41 2.02 -1.23 -2.53 112.91 115.38 1joq h THR 62 Ca -0.07 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1joq h THR 62 Cb 0.64 0.89 0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1joq h THR 62 CO 0.08 0.00 -0.30 0.50 0.37 0.00 0.00 175.52 176.18 1joq h LYS 63 N 0.00 -0.80 0.00 6.66 3.64 -0.65 -2.47 116.57 122.95 1joq h LYS 63 Ca 0.00 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1joq h LYS 63 Cb 0.24 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1joq h LYS 63 CO 0.00 -0.53 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.04 1joq h LYS 64 N -1.19 0.00 0.00 1.90 1.63 -1.37 -2.16 116.57 115.38 1joq h LYS 64 Ca -0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1joq h LYS 64 Cb 0.64 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 1joq h LYS 64 CO 0.14 0.39 0.00 -0.12 -3.45 0.00 0.00 179.45 176.41 1joq n MET 65 N -3.93 0.00 0.07 1.90 1.56 -0.96 -1.82 117.12 113.93 1joq n MET 65 Ca -0.02 0.48 0.18 0.00 -0.27 0.00 0.00 57.70 58.07 1joq n MET 65 Cb 0.44 -1.39 0.70 0.00 2.15 0.00 0.00 33.22 35.12 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 0.73 -0.66 1.12 -1.51 -1.53 0.60 116.25 115.00 1joq h VAL 66 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 1joq h VAL 66 Cb 0.00 0.79 -0.03 0.00 -2.13 0.00 0.00 31.29 29.92 1joq h VAL 66 CO 0.00 0.00 0.30 -0.33 -1.23 0.00 0.00 177.57 176.31 1joq h GLU 67 N 0.00 0.97 -0.01 5.19 5.08 -1.29 -2.07 114.58 122.45 1joq h GLU 67 Ca 0.19 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1joq h GLU 67 Cb 0.79 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1joq h GLU 67 CO -0.00 0.79 -0.19 0.09 -1.00 0.00 0.00 179.01 178.69 1joq n ASN 68 N -4.44 1.24 -4.70 1.42 3.02 -0.29 -4.89 115.26 106.62 1joq n ASN 68 Ca 0.05 -1.11 -0.42 0.00 -0.03 0.00 0.00 54.58 53.07 1joq n ASN 68 Cb 0.14 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.40 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 -2.35 3.76 -0.53 5.41 0.00 0.05 -4.86 121.76 123.23 1joq s ALA 69 Ca 0.28 1.36 0.24 0.00 0.00 0.00 0.00 51.96 53.84 1joq s ALA 69 Cb 0.20 -3.69 0.48 0.00 0.00 0.00 0.00 23.12 20.10 1joq s ALA 69 CO 0.47 -1.02 1.63 0.87 0.00 0.00 0.00 175.76 177.71 1joq h LYS 70 N 7.77 0.00 -2.88 0.00 1.57 -1.90 -3.44 116.57 117.69 1joq h LYS 70 Ca -0.43 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.16 1joq h LYS 70 Cb 1.21 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.22 1joq h LYS 70 CO 0.93 0.00 -0.46 0.15 -0.57 0.00 0.00 179.45 179.50 1joq s LYS 71 N -3.18 0.22 -0.24 3.15 1.02 -1.26 -4.98 119.74 114.47 1joq s LYS 71 Ca 0.08 0.68 0.02 0.00 0.02 0.00 0.00 55.97 56.77 1joq s LYS 71 Cb 0.08 -0.05 0.05 0.00 -0.52 0.00 0.00 37.83 37.40 1joq s LYS 71 CO 0.65 -0.21 -0.11 0.42 -0.92 0.00 0.00 175.35 175.18 1joq s ILE 72 N 1.75 2.03 0.00 2.17 1.01 -1.26 -2.88 121.20 124.02 1joq s ILE 72 Ca -0.05 -1.46 0.06 0.00 0.00 0.00 0.00 60.65 59.20 1joq s ILE 72 Cb -0.11 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 1joq s ILE 72 CO -0.09 0.04 -0.20 -1.83 0.00 0.00 0.00 174.94 172.86 1joq s GLU 73 N 1.18 1.51 -0.15 2.79 -1.05 -1.05 0.23 118.70 122.16 1joq s GLU 73 Ca -0.06 -0.77 -0.06 0.00 -0.15 0.00 0.00 54.97 53.93 1joq s GLU 73 Cb -0.19 -1.50 -0.04 0.00 -0.44 0.00 0.00 34.13 31.96 1joq s GLU 73 CO -0.06 0.40 0.05 0.14 0.95 0.00 0.00 175.26 176.74 1joq s VAL 74 N -0.56 4.71 -0.44 1.83 -7.23 0.66 -1.42 120.40 117.95 1joq s VAL 74 Ca 0.07 -0.08 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 1joq s VAL 74 Cb -0.08 -3.07 0.10 0.00 0.56 0.00 0.00 36.38 33.89 1joq s VAL 74 CO 0.00 0.52 0.29 -0.70 -0.31 0.00 0.00 175.10 174.91 1joq s GLU 75 N -0.15 2.50 0.12 4.82 2.12 -0.79 -1.81 118.70 125.50 1joq s GLU 75 Ca 0.07 -1.63 -0.31 0.00 0.36 0.00 0.00 54.97 53.46 1joq s GLU 75 Cb -0.12 -3.83 -0.09 0.00 0.26 0.00 0.00 34.13 30.35 1joq s GLU 75 CO 0.01 -1.07 1.60 -0.06 -0.54 0.00 0.00 175.26 175.20 1joq s PHE 76 N 1.37 2.76 0.00 5.30 0.08 -1.25 -2.33 117.98 123.91 1joq s PHE 76 Ca 0.05 0.49 0.00 0.00 0.12 0.00 0.00 56.93 57.59 1joq s PHE 76 Cb -0.24 -3.94 0.00 0.00 -0.57 0.00 0.00 43.02 38.27 1joq s PHE 76 CO 0.00 -3.60 0.00 -3.47 -0.10 0.00 0.00 175.22 168.06 1joq n ASP 77 N 4.76 -0.74 -1.44 1.36 2.03 -1.26 -4.57 116.55 116.69 1joq n ASP 77 Ca 0.15 -0.37 0.11 0.00 0.52 0.00 0.00 54.79 55.20 1joq n ASP 77 Cb 0.40 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.13 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 -1.11 3.05 0.00 -0.67 -0.00 -1.26 -4.86 118.16 113.31 1joq n LYS 78 Ca 0.00 -2.75 0.00 0.00 -0.00 0.00 0.00 58.31 55.56 1joq n LYS 78 Cb 0.00 -1.67 0.00 0.00 -0.00 0.00 0.00 35.03 33.36 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 1.51 0.50 3.98 2.58 0.00 -1.26 -4.82 105.19 107.68 1joq n GLY 79 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.02 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 2.92 1.30 0.00 1.61 1.11 -1.26 -5.00 119.66 120.33 1joq s GLN 80 Ca 0.00 -0.94 0.00 0.00 0.01 0.00 0.00 55.36 54.43 1joq s GLN 80 Cb 0.00 -2.18 0.00 0.00 -1.01 0.00 0.00 33.01 29.82 1joq s GLN 80 CO 0.00 -1.79 0.00 0.54 0.01 0.00 0.00 175.29 174.05 1joq n ARG 81 N -3.14 4.54 -3.72 2.91 1.74 -1.26 -4.68 116.66 113.04 1joq n ARG 81 Ca 0.16 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.10 1joq n ARG 81 Cb 0.60 -0.61 -0.09 0.00 -1.02 0.00 0.00 32.46 31.34 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 -1.20 0.02 0.00 0.55 -4.23 -1.26 -2.18 115.64 107.34 1joq s THR 82 Ca 0.00 -0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 1joq s THR 82 Cb 0.00 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.21 1joq s THR 82 CO 0.00 -0.08 0.00 0.47 -0.54 0.00 0.00 174.62 174.47 1joq n ASP 83 N 2.25 0.00 0.13 3.99 8.00 -0.77 -4.93 116.55 125.21 1joq n ASP 83 Ca -0.16 -0.60 0.13 0.00 0.71 0.00 0.00 54.79 54.87 1joq n ASP 83 Cb 0.57 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 42.12 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 -0.01 -1.24 2.10 -2.02 -2.70 116.57 112.70 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 -0.09 0.66 -2.00 0.00 0.00 179.45 178.02 1joq n TYR 85 N -2.30 0.00 -0.97 0.07 4.02 -1.26 -4.88 117.16 111.83 1joq n TYR 85 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 1joq n TYR 85 Cb 0.34 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 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 1.22 0.51 3.85 2.72 0.00 -1.02 -5.02 105.19 107.45 1joq n GLY 86 Ca 0.17 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.11 3.95 0.38 1.61 0.52 -1.26 -4.66 118.95 119.38 1joq s ARG 87 Ca 0.00 0.49 -0.15 0.00 -0.52 0.00 0.00 55.73 55.55 1joq s ARG 87 Cb 0.00 -2.74 -0.09 0.00 0.52 0.00 0.00 34.95 32.64 1joq s ARG 87 CO 0.00 0.36 0.81 0.20 0.02 0.00 0.00 175.30 176.68 1joq s GLY 88 N -2.03 2.25 -0.22 -3.53 0.00 -0.53 -1.85 107.32 101.40 1joq s GLY 88 Ca 0.45 0.08 -0.02 0.00 0.00 0.00 0.00 44.72 45.22 1joq s GLY 88 CO 0.20 0.31 -0.07 1.08 0.00 0.00 0.00 173.10 174.61 1joq s LEU 89 N -3.29 2.84 -0.01 0.66 1.43 -0.92 -2.27 118.68 117.12 1joq s LEU 89 Ca 0.56 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 1joq s LEU 89 Cb -0.10 -1.67 0.10 0.00 0.03 0.00 0.00 46.19 44.55 1joq s LEU 89 CO 0.20 -0.05 1.08 0.00 0.23 0.00 0.00 176.35 177.81 1joq s ALA 90 N 1.40 -1.93 -0.27 4.21 0.00 -1.26 -4.10 121.76 119.82 1joq s ALA 90 Ca 0.04 0.82 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 1joq s ALA 90 Cb -0.15 0.35 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1joq s ALA 90 CO -0.05 -0.85 0.47 0.71 0.00 0.00 0.00 175.76 176.04 1joq s TYR 91 N -2.84 3.25 0.25 0.00 1.51 -0.99 -4.09 117.35 114.46 1joq s TYR 91 Ca 0.10 0.54 -0.29 0.00 -1.01 0.00 0.00 57.07 56.41 1joq s TYR 91 Cb 0.00 -2.69 -0.09 0.00 -0.11 0.00 0.00 41.96 39.07 1joq s TYR 91 CO -0.04 -0.28 0.96 0.42 -1.11 0.00 0.00 175.55 175.50 1joq s ILE 92 N 2.25 4.02 -0.08 2.71 1.01 -1.26 -1.88 121.20 127.96 1joq s ILE 92 Ca 0.19 1.99 0.02 0.00 0.00 0.00 0.00 60.65 62.86 1joq s ILE 92 Cb -0.16 -4.25 0.01 0.00 0.01 0.00 0.00 42.46 38.08 1joq s ILE 92 CO 0.10 0.44 -0.13 -0.31 0.00 0.00 0.00 174.94 175.04 1joq s TYR 93 N -1.23 1.65 -0.18 3.97 2.02 -0.51 -1.17 117.35 121.89 1joq s TYR 93 Ca 0.43 -0.68 -0.00 0.00 -0.37 0.00 0.00 57.07 56.44 1joq s TYR 93 Cb -0.26 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.10 1joq s TYR 93 CO 0.32 -0.36 -0.16 0.00 -1.57 0.00 0.00 175.55 173.78 1joq s ALA 94 N 0.84 2.45 0.00 3.71 0.00 -0.34 -2.52 121.76 125.91 1joq s ALA 94 Ca -0.11 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1joq s ALA 94 Cb -0.15 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.68 1joq s ALA 94 CO 0.01 -0.30 0.00 -0.25 0.00 0.00 0.00 175.76 175.22 1joq n ASP 95 N 4.55 -3.26 0.00 0.00 8.00 -1.14 -1.69 116.55 123.00 1joq n ASP 95 Ca -0.20 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1joq n ASP 95 Cb 0.50 -1.94 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 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 -1.14 0.86 3.70 0.44 0.00 -1.26 -5.06 105.19 102.73 1joq n GLY 96 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1joq n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joq s LYS 97 N -0.93 2.80 -0.64 1.61 1.02 -0.68 -5.05 119.74 117.86 1joq s LYS 97 Ca 0.00 -0.63 -0.27 0.00 0.02 0.00 0.00 55.97 55.08 1joq s LYS 97 Cb 0.00 -2.68 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 1joq s LYS 97 CO 0.00 0.61 1.44 1.41 -0.92 0.00 0.00 175.35 177.89 1joq s MET 98 N -1.76 3.14 0.31 1.68 -2.45 -1.26 -1.19 119.30 117.77 1joq s MET 98 Ca 0.22 0.20 0.08 0.00 -1.25 0.00 0.00 55.69 54.94 1joq s MET 98 Cb -0.12 -4.19 0.85 0.00 1.25 0.00 0.00 34.83 32.62 1joq s MET 98 CO 0.13 -2.17 1.73 0.28 1.05 0.00 0.00 175.02 176.04 1joq h VAL 99 N 6.33 0.55 -0.18 10.11 2.07 -1.50 0.12 116.25 133.74 1joq h VAL 99 Ca -0.27 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.10 1joq h VAL 99 Cb 1.09 -0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1joq h VAL 99 CO 1.23 0.11 -0.14 0.78 0.02 0.00 0.00 177.57 179.56 1joq h ASN 100 N 0.58 -0.45 0.18 0.57 4.21 -1.89 0.19 115.58 118.96 1joq h ASN 100 Ca 0.63 0.09 -0.02 0.00 1.21 0.00 0.00 56.30 58.21 1joq h ASN 100 Cb 1.17 0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 38.59 1joq h ASN 100 CO -0.47 -0.18 -0.07 -0.08 -1.29 0.00 0.00 177.43 175.33 1joq h GLU 101 N -0.15 0.00 0.92 0.81 4.81 -1.19 -2.60 114.58 117.17 1joq h GLU 101 Ca 0.11 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1joq h GLU 101 Cb 0.31 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.70 1joq h GLU 101 CO -0.27 0.07 -0.44 0.00 -0.73 0.00 0.00 179.01 177.65 1joq h ALA 102 N 1.93 -1.23 -0.45 2.92 0.00 0.48 -1.29 119.26 121.62 1joq h ALA 102 Ca -0.00 -0.27 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1joq h ALA 102 Cb 0.19 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 1joq h ALA 102 CO 0.01 -1.16 0.10 -0.07 0.00 0.00 0.00 179.25 178.13 1joq h LEU 103 N -1.29 0.03 -0.93 0.00 3.38 -1.21 0.01 115.31 115.29 1joq h LEU 103 Ca -0.13 0.07 0.19 0.00 0.09 0.00 0.00 57.88 58.11 1joq h LEU 103 Cb 0.95 0.10 -0.11 0.00 0.09 0.00 0.00 40.66 41.68 1joq h LEU 103 CO 0.21 0.05 0.51 0.58 0.09 0.00 0.00 178.44 179.87 1joq h VAL 104 N 0.24 0.63 -0.54 1.22 2.07 -1.32 0.25 116.25 118.80 1joq h VAL 104 Ca 0.22 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 1joq h VAL 104 Cb 0.27 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1joq h VAL 104 CO -0.28 0.11 0.08 0.03 0.02 0.00 0.00 177.57 177.53 1joq h ARG 105 N 0.61 0.90 0.00 1.57 3.08 0.19 -1.49 114.38 119.24 1joq h ARG 105 Ca 0.55 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1joq h ARG 105 Cb 0.92 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1joq h ARG 105 CO -0.43 0.87 0.00 1.04 -1.07 0.00 0.00 179.97 180.39 1joq n GLN 106 N -4.36 0.82 -3.56 0.04 1.13 0.62 -4.76 117.38 107.31 1joq n GLN 106 Ca 0.02 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.84 1joq n GLN 106 Cb 0.27 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.20 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1joq n GLY 107 N 0.64 -0.55 0.07 1.08 0.00 0.26 -3.92 105.19 102.77 1joq n GLY 107 Ca 0.20 0.25 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.95 0.61 -4.35 0.99 4.77 -0.92 -3.11 117.00 110.04 1joq n LEU 108 Ca 0.00 -0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.63 1joq n LEU 108 Cb 0.56 0.14 -0.15 0.00 -2.33 0.00 0.00 43.42 41.65 1joq n LEU 108 CO 0.64 0.42 -0.46 0.00 -1.33 0.00 0.00 177.39 176.66 1joq s ALA 109 N -2.33 2.58 0.45 -1.18 0.00 -1.25 -4.28 121.76 115.75 1joq s ALA 109 Ca -0.10 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1joq s ALA 109 Cb 0.04 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1joq s ALA 109 CO 0.51 0.23 0.65 0.15 0.00 0.00 0.00 175.76 177.31 1joq s LYS 110 N 0.38 2.95 -0.05 0.00 1.02 -0.95 -4.35 119.74 118.74 1joq s LYS 110 Ca -0.11 -0.70 -0.25 0.00 0.02 0.00 0.00 55.97 54.93 1joq s LYS 110 Cb -0.16 -2.61 -0.03 0.00 -0.52 0.00 0.00 37.83 34.51 1joq s LYS 110 CO 0.06 -0.30 0.79 0.08 -0.92 0.00 0.00 175.35 175.06 1joq s VAL 111 N -2.51 4.99 0.15 3.17 1.01 -1.26 -1.05 120.40 124.89 1joq s VAL 111 Ca 0.50 1.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.88 1joq s VAL 111 Cb -0.10 -4.13 0.07 0.00 0.00 0.00 0.00 36.38 32.22 1joq s VAL 111 CO 0.36 0.21 0.65 0.00 0.00 0.00 0.00 175.10 176.32 1joq s ALA 112 N 0.94 -1.60 -0.58 5.51 0.00 -1.00 -4.88 121.76 120.15 1joq s ALA 112 Ca 0.42 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.76 1joq s ALA 112 Cb -0.19 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.77 1joq s ALA 112 CO 0.21 -0.78 0.65 0.66 0.00 0.00 0.00 175.76 176.49 1joq n TYR 113 N -0.37 -3.13 -3.86 0.00 4.01 -1.26 -3.89 117.16 108.66 1joq n TYR 113 Ca -0.15 1.24 -0.29 0.00 -0.16 0.00 0.00 57.90 58.54 1joq n TYR 113 Cb 0.64 -3.84 -0.11 0.00 -0.31 0.00 0.00 39.34 35.72 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 -2.71 3.14 -0.03 -0.72 1.01 -1.26 -4.17 120.40 115.66 1joq s VAL 114 Ca 0.14 -4.20 0.00 0.00 0.00 0.00 0.00 61.98 57.93 1joq s VAL 114 Cb -0.03 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.27 1joq s VAL 114 CO 0.78 -1.02 -0.01 -0.31 0.00 0.00 0.00 175.10 174.55 1joq s TYR 115 N -1.42 3.08 0.49 5.22 2.02 -1.26 -4.98 117.35 120.49 1joq s TYR 115 Ca 0.25 0.11 -0.08 0.00 -0.37 0.00 0.00 57.07 56.97 1joq s TYR 115 Cb -0.05 -1.71 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1joq s TYR 115 CO -0.16 0.45 0.83 0.15 -1.57 0.00 0.00 175.55 175.26 1joq s LYS 116 N -1.29 3.64 -0.05 -0.62 1.02 -1.26 -1.12 119.74 120.06 1joq s LYS 116 Ca 0.17 0.41 0.05 0.00 0.02 0.00 0.00 55.97 56.62 1joq s LYS 116 Cb -0.11 -2.32 0.21 0.00 -0.52 0.00 0.00 37.83 35.09 1joq s LYS 116 CO 0.07 -0.22 0.93 -0.35 -0.92 0.00 0.00 175.35 174.86 1joq n PRO 117 N -2.04 1.90 -1.95 -1.68 -0.04 -1.26 -4.96 135.00 124.97 1joq n PRO 117 Ca 0.02 -0.83 -0.41 0.00 -0.04 0.00 0.00 63.50 62.25 1joq n PRO 117 Cb 0.55 -1.55 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.15 6.80 -1.41 3.54 4.13 -0.28 -4.12 115.26 124.07 1joq n ASN 118 Ca 0.07 -3.00 -0.05 0.00 1.68 0.00 0.00 54.58 53.29 1joq n ASN 118 Cb 0.41 -1.47 -0.01 0.00 -1.54 0.00 0.00 39.78 37.18 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 0.28 0.00 0.00 177.26 177.08 1joq n ASN 119 N 3.20 -1.00 -0.22 6.41 6.94 -1.24 -4.19 115.26 125.16 1joq n ASN 119 Ca 0.57 -1.85 0.02 0.00 -0.02 0.00 0.00 54.58 53.30 1joq n ASN 119 Cb 0.30 0.36 0.11 0.00 -2.36 0.00 0.00 39.78 38.19 1joq n ASN 119 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1joq h THR 120 N 4.14 0.46 -0.77 5.53 1.03 -1.94 0.14 112.91 121.49 1joq h THR 120 Ca -0.47 -0.04 -0.41 0.00 -0.01 0.00 0.00 66.41 65.48 1joq h THR 120 Cb 1.29 0.33 -0.15 0.00 -1.07 0.00 0.00 68.15 68.55 1joq h THR 120 CO -0.23 0.02 0.25 1.41 -0.01 0.00 0.00 175.52 176.96 1joq n HIS 121 N -5.30 1.27 0.00 0.00 8.25 -1.26 -4.58 115.22 113.60 1joq n HIS 121 Ca 0.10 -1.85 0.00 0.00 -0.26 0.00 0.00 57.72 55.71 1joq n HIS 121 Cb 0.38 -1.34 0.00 0.00 1.12 0.00 0.00 29.99 30.15 1joq n HIS 121 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1joq n GLU 122 N 1.10 0.00 0.07 -0.41 0.00 0.49 -2.21 120.64 119.68 1joq n GLU 122 Ca 0.44 0.48 0.20 0.00 0.00 0.00 0.00 57.16 58.27 1joq n GLU 122 Cb 0.62 -1.05 0.74 0.00 0.00 0.00 0.00 31.44 31.75 1joq n GLU 122 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1joq h GLN 123 N 0.00 0.00 0.31 5.31 1.08 -1.83 -0.69 115.11 119.29 1joq h GLN 123 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1joq h GLN 123 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1joq h GLN 123 CO 0.00 0.00 -0.15 1.25 -0.95 0.00 0.00 178.83 178.98 1joq h LEU 124 N 0.00 -0.35 -1.49 1.46 5.85 -1.86 -2.45 115.31 116.47 1joq h LEU 124 Ca 0.20 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1joq h LEU 124 Cb 0.91 0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1joq h LEU 124 CO -0.00 0.07 0.00 -0.07 -0.34 0.00 0.00 178.44 178.09 1joq h LEU 125 N -0.84 0.00 0.24 2.25 3.38 -0.90 -2.42 115.31 117.02 1joq h LEU 125 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1joq h LEU 125 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1joq h LEU 125 CO 0.07 0.00 -0.11 -0.09 0.09 0.00 0.00 178.44 178.39 1joq h ARG 126 N 0.00 -0.31 -0.66 1.13 2.43 -0.99 -1.57 114.38 114.41 1joq h ARG 126 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1joq h ARG 126 Cb 0.32 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 1joq h ARG 126 CO 0.00 -0.01 0.39 1.57 -1.51 0.00 0.00 179.97 180.41 1joq h LYS 127 N -0.99 0.88 -0.62 0.20 5.09 -1.37 -1.81 116.57 117.96 1joq h LYS 127 Ca -0.03 -0.07 -0.06 0.00 0.09 0.00 0.00 60.65 60.58 1joq h LYS 127 Cb 0.44 -0.19 -0.03 0.00 0.10 0.00 0.00 32.23 32.55 1joq h LYS 127 CO 0.05 0.62 0.16 0.66 -2.09 0.00 0.00 179.45 178.86 1joq h SER 128 N 0.90 0.93 -0.82 7.07 4.64 -1.49 -2.09 113.55 122.68 1joq h SER 128 Ca 0.24 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1joq h SER 128 Cb -0.03 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 61.77 1joq h SER 128 CO -0.04 0.91 0.43 -0.08 -0.87 0.00 0.00 176.83 177.17 1joq h GLU 129 N 0.90 1.17 -0.35 4.77 4.22 -0.47 -1.57 114.58 123.25 1joq h GLU 129 Ca 0.20 -0.15 -0.05 0.00 0.08 0.00 0.00 59.36 59.43 1joq h GLU 129 Cb 0.34 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1joq h GLU 129 CO -0.00 0.88 -0.01 0.00 -2.18 0.00 0.00 179.01 177.70 1joq h ALA 130 N 1.30 1.34 -0.40 2.92 0.00 -0.96 -0.77 119.26 122.68 1joq h ALA 130 Ca 0.29 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1joq h ALA 130 Cb 0.07 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1joq h ALA 130 CO -0.04 0.45 -0.10 0.37 0.00 0.00 0.00 179.25 179.93 1joq h GLN 131 N 0.52 0.78 0.00 0.00 5.75 -0.65 -2.26 115.11 119.25 1joq h GLN 131 Ca 0.11 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.24 1joq h GLN 131 Cb 0.35 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1joq h GLN 131 CO 0.01 0.91 -0.33 0.00 -2.65 0.00 0.00 178.83 176.77 1joq h ALA 132 N 0.85 1.40 -0.29 3.38 0.00 -0.89 -1.04 119.26 122.67 1joq h ALA 132 Ca 0.10 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1joq h ALA 132 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1joq h ALA 132 CO 0.04 0.42 -0.25 0.87 0.00 0.00 0.00 179.25 180.33 1joq h LYS 133 N 0.00 0.56 0.00 0.00 1.57 -0.71 -2.40 116.57 115.59 1joq h LYS 133 Ca -0.00 -0.22 -0.19 0.00 -1.87 0.00 0.00 60.65 58.37 1joq h LYS 133 Cb 0.61 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 1joq h LYS 133 CO 0.04 0.77 -0.88 0.87 -0.57 0.00 0.00 179.45 179.68 1joq h LYS 134 N 0.50 0.00 0.00 3.15 1.57 -0.85 -3.11 116.57 117.82 1joq h LYS 134 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1joq h LYS 134 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1joq h LYS 134 CO 0.05 0.88 0.00 0.93 -0.57 0.00 0.00 179.45 180.74 1joq h GLU 135 N 0.00 0.00 -6.01 3.15 5.08 -0.88 -3.47 114.58 112.44 1joq h GLU 135 Ca -0.01 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1joq h GLU 135 Cb 1.65 0.00 0.08 0.00 0.50 0.00 0.00 28.75 30.98 1joq h GLU 135 CO 0.11 0.00 -0.79 1.63 -1.00 0.00 0.00 179.01 178.97 1joq n LYS 136 N -2.47 -1.43 -4.12 2.33 5.02 -0.93 -4.89 118.16 111.67 1joq n LYS 136 Ca 0.03 0.73 -0.30 0.00 -2.02 0.00 0.00 58.31 56.75 1joq n LYS 136 Cb 0.30 -4.47 -0.08 0.00 -0.02 0.00 0.00 35.03 30.77 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 -5.71 3.52 0.00 -0.35 1.43 -1.25 -3.15 118.68 113.17 1joq s LEU 137 Ca 0.34 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 1joq s LEU 137 Cb -0.11 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1joq s LEU 137 CO 0.83 0.17 0.00 0.59 0.23 0.00 0.00 176.35 178.16 1joq n ASN 138 N 0.49 0.00 0.34 2.29 3.02 -1.25 -0.44 115.26 119.71 1joq n ASN 138 Ca -0.10 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.27 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 0.39 0.00 2.41 2.04 -1.84 -1.73 117.51 118.78 1joq h ILE 139 Ca 0.00 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1joq h ILE 139 Cb 0.00 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 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 -5.44 0.00 0.13 1.37 7.02 0.41 -2.60 117.44 118.33 1joq n TRP 140 Ca -0.13 0.00 0.19 0.00 -1.02 0.00 0.00 57.50 56.54 1joq n TRP 140 Cb 0.34 -0.32 0.77 0.00 -2.42 0.00 0.00 31.31 29.68 1joq n TRP 140 CO 0.00 0.00 0.00 0.77 -2.02 0.00 0.00 177.69 176.44 1joq h SER 141 N 0.00 0.00 -3.33 -0.99 0.02 -1.00 -3.37 113.55 104.88 1joq h SER 141 Ca 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1joq h SER 141 Cb 0.08 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.63 1joq h SER 141 CO 0.00 0.00 0.03 -0.62 -1.14 0.00 0.00 176.83 175.10 1joq n GLU 142 N -3.90 0.33 -3.86 3.45 1.02 -1.07 -4.91 120.64 111.70 1joq n GLU 142 Ca 0.05 -0.43 -0.36 0.00 -0.02 0.00 0.00 57.16 56.40 1joq n GLU 142 Cb 0.48 -0.14 -0.07 0.00 -0.02 0.00 0.00 31.44 31.69 1joq n GLU 142 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1joq s ASP 143 N -1.72 6.22 -0.18 1.62 2.15 -1.26 -4.99 116.67 118.50 1joq s ASP 143 Ca 0.12 0.34 -0.01 0.00 0.43 0.00 0.00 52.55 53.43 1joq s ASP 143 Cb -0.01 -2.04 -0.22 0.00 -0.30 0.00 0.00 42.92 40.36 1joq s ASP 143 CO 0.08 0.31 0.10 0.59 -0.17 0.00 0.00 175.17 176.08 1joq n ASN 144 N 2.63 1.92 -0.04 -0.34 3.02 -1.26 -4.49 115.26 116.71 1joq n ASN 144 Ca -0.18 0.05 -0.14 0.00 -0.03 0.00 0.00 54.58 54.29 1joq n ASN 144 Cb 0.54 -0.55 -0.11 0.00 -0.61 0.00 0.00 39.78 39.04 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq h ALA 145 N 0.12 0.00 -0.77 5.41 0.00 -2.01 -3.46 119.26 118.55 1joq h ALA 145 Ca -0.49 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1joq h ALA 145 Cb 1.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1joq h ALA 145 CO 0.01 -0.12 0.00 -0.25 0.00 0.00 0.00 179.25 178.88 1joq n ASP 146 N -4.73 0.00 0.00 0.00 8.00 -1.26 -3.36 116.55 115.20 1joq n ASP 146 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1joq n ASP 146 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1joq n ASP 146 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1joq n SER 147 N 3.75 0.00 0.00 -2.24 3.41 -1.26 -5.12 113.62 112.17 1joq n SER 147 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1joq n SER 147 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1joq n GLY 148 N 2.83 -0.17 3.31 5.00 0.00 -1.21 -5.22 105.19 109.72 1joq n GLY 148 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14