#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 -3.00 0.00 -2.24 -1.26 -4.98 114.28 102.80 1joq n THR 2 Ca 0.00 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1joq n THR 2 Cb 0.00 -0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.99 1joq n THR 2 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1joq s SER 3 N -2.20 6.60 0.06 3.42 0.15 -1.26 -4.87 113.70 115.60 1joq s SER 3 Ca 0.00 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1joq s SER 3 Cb 0.00 -2.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 1joq s SER 3 CO 0.00 -0.59 0.00 0.35 1.20 0.00 0.00 173.24 174.20 1joq n THR 4 N 5.52 0.32 -3.32 6.45 -2.24 -1.26 -4.99 114.28 114.77 1joq n THR 4 Ca 0.02 0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1joq n THR 4 Cb 0.48 -0.90 0.04 0.00 -2.10 0.00 0.00 70.33 67.86 1joq n THR 4 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1joq n LYS 5 N -2.87 -1.77 -3.34 -0.78 0.00 -1.26 -2.82 118.16 105.33 1joq n LYS 5 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 58.31 59.06 1joq n LYS 5 Cb 0.00 -5.29 0.07 0.00 0.00 0.00 0.00 35.03 29.81 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 -3.05 -6.26 0.00 1.64 4.76 -1.26 -4.73 118.16 109.26 1joq n LYS 6 Ca -0.07 0.69 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 1joq n LYS 6 Cb 0.59 -5.29 0.00 0.00 -1.84 0.00 0.00 35.03 28.48 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1joq n LEU 7 N -4.03 0.00 -4.50 -0.35 4.77 -1.13 -4.58 117.00 107.19 1joq n LEU 7 Ca -0.07 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.58 1joq n LEU 7 Cb 0.58 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.55 1joq n LEU 7 CO 0.53 -0.34 -0.37 -1.38 -1.33 0.00 0.00 177.39 174.50 1joq s HIS 8 N 0.00 2.98 -0.14 -1.77 -3.43 -1.26 -4.97 115.29 106.69 1joq s HIS 8 Ca 0.00 -0.28 -0.02 0.00 -0.80 0.00 0.00 55.06 53.96 1joq s HIS 8 Cb 0.00 -1.89 -0.02 0.00 -1.43 0.00 0.00 32.58 29.24 1joq s HIS 8 CO 0.00 0.02 -0.07 0.15 -2.00 0.00 0.00 174.74 172.84 1joq s LYS 9 N 0.10 3.53 0.30 -0.38 1.02 -1.26 -4.35 119.74 118.69 1joq s LYS 9 Ca -0.02 -0.57 0.10 0.00 0.02 0.00 0.00 55.97 55.50 1joq s LYS 9 Cb -0.14 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 1joq s LYS 9 CO 0.03 0.26 -0.02 -1.21 -0.92 0.00 0.00 175.35 173.50 1joq s GLU 10 N 0.28 2.14 0.82 1.68 8.01 -0.66 -4.95 118.70 126.03 1joq s GLU 10 Ca -0.05 -1.58 -0.12 0.00 0.01 0.00 0.00 54.97 53.23 1joq s GLU 10 Cb -0.15 -2.04 0.08 0.00 -4.31 0.00 0.00 34.13 27.72 1joq s GLU 10 CO 0.04 0.27 1.11 -1.25 0.01 0.00 0.00 175.26 175.44 1joq s PRO 11 N -3.68 1.89 0.22 0.39 0.04 -1.26 -0.48 135.00 132.13 1joq s PRO 11 Ca 0.33 0.56 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 1joq s PRO 11 Cb -0.04 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.63 1joq s PRO 11 CO 0.19 -1.74 0.64 0.00 0.04 0.00 0.00 177.00 176.14 1joq s ALA 12 N -3.19 -1.28 -0.05 8.56 0.00 0.94 -4.46 121.76 122.28 1joq s ALA 12 Ca 0.61 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 52.57 1joq s ALA 12 Cb -0.14 0.87 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1joq s ALA 12 CO 0.54 -0.90 -0.14 0.99 0.00 0.00 0.00 175.76 176.25 1joq s THR 13 N -3.86 1.20 0.33 0.00 2.01 -0.79 -4.41 115.64 110.13 1joq s THR 13 Ca 0.07 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1joq s THR 13 Cb -0.03 -1.06 -0.10 0.00 0.01 0.00 0.00 72.50 71.32 1joq s THR 13 CO -0.01 0.36 1.25 -0.22 -0.69 0.00 0.00 174.62 175.30 1joq s LEU 14 N 0.29 4.43 0.13 4.42 2.96 -1.26 0.80 118.68 130.45 1joq s LEU 14 Ca -0.08 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.40 1joq s LEU 14 Cb -0.12 -3.68 0.00 0.00 0.50 0.00 0.00 46.19 42.88 1joq s LEU 14 CO 0.02 -0.46 0.00 -0.38 -1.32 0.00 0.00 176.35 174.21 1joq n ILE 15 N 0.81 0.53 -3.24 6.68 5.41 -0.53 -4.81 119.36 124.21 1joq n ILE 15 Ca 0.00 0.17 -0.02 0.00 1.00 0.00 0.00 62.75 63.90 1joq n ILE 15 Cb 0.43 -1.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.33 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 -1.71 0.47 0.37 0.38 2.47 -0.92 -5.03 119.74 115.78 1joq s LYS 16 Ca 0.00 0.59 -0.27 0.00 -1.56 0.00 0.00 55.97 54.73 1joq s LYS 16 Cb 0.00 0.03 -0.09 0.00 -1.46 0.00 0.00 37.83 36.31 1joq s LYS 16 CO 0.00 -0.81 1.21 0.00 0.16 0.00 0.00 175.35 175.91 1joq s ALA 17 N 2.70 3.28 0.00 3.13 0.00 -1.26 -2.39 121.76 127.21 1joq s ALA 17 Ca 0.14 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.16 1joq s ALA 17 Cb -0.13 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1joq s ALA 17 CO -0.23 -0.54 0.00 -0.89 0.00 0.00 0.00 175.76 174.10 1joq n ILE 18 N 0.40 0.00 -3.74 0.00 5.41 -0.68 -4.90 119.36 115.84 1joq n ILE 18 Ca 0.02 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.99 1joq n ILE 18 Cb 0.45 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 1joq n ILE 18 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1joq n ASP 19 N -2.19 1.83 0.00 4.38 5.75 -0.87 -4.97 116.55 120.48 1joq n ASP 19 Ca 0.00 -0.74 0.15 0.00 -0.01 0.00 0.00 54.79 54.19 1joq n ASP 19 Cb 0.00 0.00 0.88 0.00 -1.03 0.00 0.00 41.12 40.97 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1joq n GLY 20 N 4.57 -1.05 0.00 6.12 0.00 -1.26 -3.45 105.19 110.12 1joq n GLY 20 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1joq n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1joq n ASP 21 N -1.08 0.22 -4.01 1.61 8.00 -1.26 -4.82 116.55 115.21 1joq n ASP 21 Ca 0.21 -0.57 -0.27 0.00 0.71 0.00 0.00 54.79 54.87 1joq n ASP 21 Cb 0.14 0.29 -0.17 0.00 -0.02 0.00 0.00 41.12 41.37 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1joq s THR 22 N -0.29 1.30 -0.03 -3.53 2.01 -1.22 -1.70 115.64 112.18 1joq s THR 22 Ca 0.00 -0.52 -0.01 0.00 0.31 0.00 0.00 61.69 61.48 1joq s THR 22 Cb 0.00 -1.22 0.03 0.00 0.01 0.00 0.00 72.50 71.32 1joq s THR 22 CO 0.00 0.40 0.05 0.68 -0.69 0.00 0.00 174.62 175.06 1joq s VAL 23 N 1.11 -0.08 -0.28 3.82 -7.23 -0.98 -1.69 120.40 115.07 1joq s VAL 23 Ca -0.05 0.28 -0.24 0.00 -1.81 0.00 0.00 61.98 60.16 1joq s VAL 23 Cb -0.14 -0.11 -0.00 0.00 0.56 0.00 0.00 36.38 36.68 1joq s VAL 23 CO -0.02 0.11 0.79 -0.54 -0.31 0.00 0.00 175.10 175.13 1joq s LYS 24 N 1.40 4.05 0.00 4.82 1.02 -1.01 -1.95 119.74 128.07 1joq s LYS 24 Ca -0.05 0.70 0.00 0.00 0.02 0.00 0.00 55.97 56.64 1joq s LYS 24 Cb -0.13 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 1joq s LYS 24 CO -0.03 -0.61 0.00 1.28 -0.92 0.00 0.00 175.35 175.07 1joq n LEU 25 N 6.11 0.00 -3.85 3.17 4.77 -0.33 -1.45 117.00 125.42 1joq n LEU 25 Ca 0.04 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.73 1joq n LEU 25 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 1joq n LEU 25 CO 0.49 -0.01 -0.40 -0.32 -1.33 0.00 0.00 177.39 175.82 1joq s MET 26 N 0.42 1.21 -0.25 3.23 1.75 0.24 -2.61 119.30 123.28 1joq s MET 26 Ca 0.00 -0.75 -0.08 0.00 -1.25 0.00 0.00 55.69 53.61 1joq s MET 26 Cb 0.00 -2.39 -0.03 0.00 2.84 0.00 0.00 34.83 35.25 1joq s MET 26 CO 0.00 -0.62 0.09 -0.47 -0.65 0.00 0.00 175.02 173.37 1joq s TYR 27 N 1.59 3.11 -1.43 4.11 5.04 -0.40 -1.88 117.35 127.50 1joq s TYR 27 Ca -0.04 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1joq s TYR 27 Cb -0.18 -2.26 0.00 0.00 0.35 0.00 0.00 41.96 39.87 1joq s TYR 27 CO -0.07 -0.31 0.00 1.63 -1.34 0.00 0.00 175.55 175.46 1joq n LYS 28 N 4.93 -1.58 -0.62 4.97 5.02 -1.26 -1.03 118.16 128.58 1joq n LYS 28 Ca -0.16 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1joq n LYS 28 Cb 0.52 -5.35 0.00 0.00 -0.02 0.00 0.00 35.03 30.17 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 29 N -0.04 0.89 3.22 0.72 0.00 -1.26 -5.07 105.19 103.65 1joq n GLY 29 Ca -0.13 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 1joq n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1joq s GLN 30 N -1.43 1.99 -0.29 1.61 0.74 -0.20 -5.09 119.66 116.99 1joq s GLN 30 Ca 0.00 -0.77 -0.29 0.00 0.05 0.00 0.00 55.36 54.35 1joq s GLN 30 Cb 0.00 -1.79 -0.00 0.00 1.10 0.00 0.00 33.01 32.32 1joq s GLN 30 CO 0.00 0.39 1.34 -1.25 -0.55 0.00 0.00 175.29 175.21 1joq s PRO 31 N -0.27 3.90 0.02 1.67 0.04 -1.26 -1.28 135.00 137.82 1joq s PRO 31 Ca 0.02 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 1joq s PRO 31 Cb -0.11 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.54 1joq s PRO 31 CO 0.01 -1.14 0.17 1.41 0.04 0.00 0.00 177.00 177.50 1joq s MET 32 N 4.22 0.60 0.13 4.56 1.75 -1.07 -5.00 119.30 124.49 1joq s MET 32 Ca 0.58 -0.52 0.01 0.00 -1.25 0.00 0.00 55.69 54.52 1joq s MET 32 Cb -0.18 0.25 -0.04 0.00 2.84 0.00 0.00 34.83 37.71 1joq s MET 32 CO 0.24 -0.16 0.27 -0.08 -0.65 0.00 0.00 175.02 174.64 1joq s THR 33 N -2.01 5.33 0.05 10.11 -1.32 -1.26 -1.18 115.64 125.36 1joq s THR 33 Ca -0.10 -0.56 0.04 0.00 -1.21 0.00 0.00 61.69 59.87 1joq s THR 33 Cb -0.04 -3.71 -0.02 0.00 -1.51 0.00 0.00 72.50 67.22 1joq s THR 33 CO -0.01 -0.03 -0.12 -0.36 -2.21 0.00 0.00 174.62 171.89 1joq s PHE 34 N -1.68 1.04 -0.11 9.09 0.08 -0.82 -1.55 117.98 124.04 1joq s PHE 34 Ca 0.35 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 57.04 1joq s PHE 34 Cb -0.12 -0.61 0.00 0.00 -0.57 0.00 0.00 43.02 41.73 1joq s PHE 34 CO 0.28 0.01 -0.23 1.03 -0.10 0.00 0.00 175.22 176.22 1joq s ARG 35 N -1.35 2.94 0.18 0.44 1.81 -0.89 -2.31 118.95 119.76 1joq s ARG 35 Ca -0.02 -0.84 -0.33 0.00 -1.72 0.00 0.00 55.73 52.82 1joq s ARG 35 Cb -0.09 -2.27 -0.15 0.00 -0.45 0.00 0.00 34.95 32.00 1joq s ARG 35 CO 0.01 0.12 1.39 1.28 -0.68 0.00 0.00 175.30 177.42 1joq n LEU 36 N 3.68 2.52 -4.85 2.53 4.77 -0.69 -4.21 117.00 120.76 1joq n LEU 36 Ca -0.19 1.12 -0.35 0.00 -0.03 0.00 0.00 56.01 56.56 1joq n LEU 36 Cb 0.53 -1.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.22 1joq n LEU 36 CO 0.27 -0.71 0.22 -0.76 -1.33 0.00 0.00 177.39 175.09 1joq s LEU 37 N 0.49 4.32 -1.85 2.23 1.43 -1.26 -4.07 118.68 119.96 1joq s LEU 37 Ca 0.75 1.04 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1joq s LEU 37 Cb -0.75 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.16 1joq s LEU 37 CO 0.47 0.08 0.00 0.18 0.23 0.00 0.00 176.35 177.31 1joq n LEU 38 N 0.68 -1.39 -3.93 1.79 4.77 -1.21 -4.96 117.00 112.74 1joq n LEU 38 Ca -0.05 0.37 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1joq n LEU 38 Cb 0.52 -2.55 -0.08 0.00 -2.33 0.00 0.00 43.42 38.98 1joq n LEU 38 CO 0.43 -0.82 -0.11 0.68 -1.33 0.00 0.00 177.39 176.23 1joq s VAL 39 N -2.71 0.12 -0.03 4.08 -7.23 -1.05 -2.08 120.40 111.50 1joq s VAL 39 Ca 0.00 -1.36 -0.05 0.00 -1.81 0.00 0.00 61.98 58.76 1joq s VAL 39 Cb 0.00 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 35.38 1joq s VAL 39 CO 0.00 -0.55 0.12 -0.62 -0.31 0.00 0.00 175.10 173.73 1joq s ASP 40 N -2.92 -0.08 0.36 4.85 2.15 0.93 -4.50 116.67 117.47 1joq s ASP 40 Ca 0.11 0.13 0.07 0.00 0.43 0.00 0.00 52.55 53.30 1joq s ASP 40 Cb 0.05 0.24 -0.02 0.00 -0.30 0.00 0.00 42.92 42.88 1joq s ASP 40 CO -0.06 -0.11 0.33 0.42 -0.17 0.00 0.00 175.17 175.58 1joq s THR 41 N -0.25 3.28 -1.57 1.71 -4.23 -1.26 -1.58 115.64 111.74 1joq s THR 41 Ca -0.03 -1.34 0.21 0.00 -1.18 0.00 0.00 61.69 59.35 1joq s THR 41 Cb -0.02 -3.13 0.43 0.00 1.34 0.00 0.00 72.50 71.11 1joq s THR 41 CO 0.00 -0.12 1.68 -0.81 -0.54 0.00 0.00 174.62 174.83 1joq n PRO 42 N -1.45 0.39 -0.37 3.99 -0.04 -1.26 -4.99 135.00 131.27 1joq n PRO 42 Ca 0.00 0.07 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1joq n PRO 42 Cb 0.60 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.22 -0.89 -2.70 0.54 4.07 -1.26 -4.94 120.64 114.24 1joq n GLU 43 Ca 0.12 0.72 -0.06 0.00 -0.06 0.00 0.00 57.16 57.87 1joq n GLU 43 Cb 0.15 -0.98 0.09 0.00 -0.06 0.00 0.00 31.44 30.63 1joq n GLU 43 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1joq n THR 44 N -2.34 0.45 -3.28 6.31 -1.04 -1.26 -4.71 114.28 108.42 1joq n THR 44 Ca -0.02 -2.07 -0.29 0.00 -2.04 0.00 0.00 64.05 59.63 1joq n THR 44 Cb 0.16 0.93 -0.06 0.00 -1.82 0.00 0.00 70.33 69.54 1joq n THR 44 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1joq n LYS 45 N -0.58 2.95 -1.53 -2.82 3.00 -1.26 -5.03 118.16 112.89 1joq n LYS 45 Ca -0.00 -4.70 -0.52 0.00 -0.00 0.00 0.00 58.31 53.09 1joq n LYS 45 Cb 0.84 -2.29 -0.07 0.00 0.00 0.00 0.00 35.03 33.51 1joq n LYS 45 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1joq n HIS 46 N 0.69 1.79 0.00 5.64 8.25 -1.26 -4.87 115.22 125.47 1joq n HIS 46 Ca 0.30 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 58.06 1joq n HIS 46 Cb 0.39 -2.53 0.00 0.00 1.12 0.00 0.00 29.99 28.97 1joq n HIS 46 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1joq n PRO 47 N 7.42 0.00 0.00 -0.41 -0.04 -1.26 -4.91 135.00 135.80 1joq n PRO 47 Ca 0.36 0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1joq n PRO 47 Cb 0.21 -0.57 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 1joq n PRO 47 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1joq n LYS 48 N -0.96 0.00 0.02 0.54 2.85 -1.26 -4.83 118.16 114.52 1joq n LYS 48 Ca 0.00 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.39 1joq n LYS 48 Cb 0.00 -0.11 0.42 0.00 -0.65 0.00 0.00 35.03 34.69 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1joq n LYS 49 N -2.28 0.07 0.00 -1.58 4.81 -1.26 -5.04 118.16 112.88 1joq n LYS 49 Ca 0.00 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 1joq n LYS 49 Cb 0.00 -1.56 0.00 0.00 0.02 0.00 0.00 35.03 33.49 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1joq n GLY 50 N 1.46 -1.64 0.00 3.14 0.00 -1.26 -4.88 105.19 102.00 1joq n GLY 50 Ca 0.06 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 0.00 -4.52 1.61 0.31 -1.26 -4.76 118.33 109.72 1joq n VAL 51 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1joq n VAL 51 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1joq n VAL 51 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1joq n GLU 52 N -1.05 0.00 0.00 5.55 1.02 -1.26 -4.84 120.64 120.05 1joq n GLU 52 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1joq n GLU 52 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1joq n GLU 52 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1joq n LYS 53 N 1.57 0.00 -3.00 3.49 4.01 -1.26 -2.59 118.16 120.38 1joq n LYS 53 Ca 0.00 0.00 -0.14 0.00 -0.51 0.00 0.00 58.31 57.66 1joq n LYS 53 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.53 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1joq n TYR 54 N 0.00 -0.70 0.00 2.13 4.01 -1.26 -5.04 117.16 116.30 1joq n TYR 54 Ca 0.00 -3.20 0.00 0.00 -0.16 0.00 0.00 57.90 54.54 1joq n TYR 54 Cb 0.00 0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1joq n TYR 54 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 55 N 0.25 -2.10 3.56 2.72 0.00 -1.07 -3.90 105.19 104.65 1joq n GLY 55 Ca 0.17 0.19 -0.37 0.00 0.00 0.00 0.00 46.02 46.02 1joq n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1joq s PRO 56 N -0.44 3.31 0.00 1.61 0.04 -1.26 -4.51 135.00 133.75 1joq s PRO 56 Ca 0.00 -0.99 0.00 0.00 0.04 0.00 0.00 61.00 60.05 1joq s PRO 56 Cb 0.00 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.25 1joq s PRO 56 CO 0.00 -2.59 0.00 0.39 0.04 0.00 0.00 177.00 174.84 1joq n GLU 57 N 8.81 0.00 -0.00 4.56 -0.58 -1.25 -4.85 120.64 127.33 1joq n GLU 57 Ca 0.37 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 57.14 1joq n GLU 57 Cb 0.49 0.00 0.40 0.00 -0.57 0.00 0.00 31.44 31.76 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 0.67 1.63 0.09 0.62 0.00 -1.81 -0.13 119.26 120.33 1joq h ALA 58 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1joq h ALA 58 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1joq h ALA 58 CO 0.00 0.31 -0.04 1.03 0.00 0.00 0.00 179.25 180.55 1joq h SER 59 N 0.55 -0.10 0.79 0.00 0.87 -1.84 -1.71 113.55 112.10 1joq h SER 59 Ca 0.14 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1joq h SER 59 Cb 0.02 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1joq h SER 59 CO -0.02 0.03 0.00 0.00 -0.53 0.00 0.00 176.83 176.31 1joq h ALA 60 N 0.66 1.00 0.23 6.23 0.00 -1.78 -1.18 119.26 124.42 1joq h ALA 60 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1joq h ALA 60 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1joq h ALA 60 CO 0.02 0.00 -0.11 0.35 0.00 0.00 0.00 179.25 179.51 1joq h PHE 61 N 0.00 -0.29 0.00 0.00 3.57 -0.15 -2.31 116.94 117.77 1joq h PHE 61 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1joq h PHE 61 Cb 0.40 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1joq h PHE 61 CO 0.00 0.03 0.00 1.15 -2.23 0.00 0.00 178.31 177.26 1joq h THR 62 N -0.98 0.00 0.10 4.41 2.02 -1.40 -2.03 112.91 115.03 1joq h THR 62 Ca -0.03 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 1joq h THR 62 Cb 0.44 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1joq h THR 62 CO 0.05 0.00 -0.05 0.50 0.37 0.00 0.00 175.52 176.39 1joq h LYS 63 N 0.00 -0.13 -0.02 6.66 3.64 -1.25 -1.79 116.57 123.68 1joq h LYS 63 Ca 0.00 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1joq h LYS 63 Cb 0.72 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 1joq h LYS 63 CO 0.00 0.39 -0.55 -0.22 -2.27 0.00 0.00 179.45 176.80 1joq h LYS 64 N -0.79 0.06 0.61 1.90 1.63 -1.45 -1.70 116.57 116.83 1joq h LYS 64 Ca -0.01 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1joq h LYS 64 Cb 0.57 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.21 1joq h LYS 64 CO 0.02 0.59 -0.29 0.52 -3.45 0.00 0.00 179.45 176.84 1joq h MET 65 N 0.04 -0.79 -0.82 1.90 2.86 -1.40 -1.21 114.93 115.51 1joq h MET 65 Ca -0.00 0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1joq h MET 65 Cb 0.98 0.18 -0.05 0.00 0.06 0.00 0.00 31.60 32.78 1joq h MET 65 CO 0.07 -0.48 0.54 -0.39 1.06 0.00 0.00 176.91 177.71 1joq h VAL 66 N -1.12 1.13 -0.09 -2.22 -1.51 -1.35 0.77 116.25 111.85 1joq h VAL 66 Ca -0.08 -0.34 -0.05 0.00 -1.23 0.00 0.00 66.70 65.00 1joq h VAL 66 Cb 0.67 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1joq h VAL 66 CO 0.14 0.18 -0.16 -0.33 -1.23 0.00 0.00 177.57 176.17 1joq h GLU 67 N 1.00 0.15 -0.03 5.19 4.39 -1.23 -2.26 114.58 121.79 1joq h GLU 67 Ca 0.33 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1joq h GLU 67 Cb 0.05 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1joq h GLU 67 CO -0.10 0.31 0.00 0.09 -1.16 0.00 0.00 179.01 178.15 1joq n ASN 68 N -4.28 2.73 -4.63 1.42 3.02 -0.27 -4.91 115.26 108.34 1joq n ASN 68 Ca -0.01 -1.87 -0.43 0.00 -0.03 0.00 0.00 54.58 52.24 1joq n ASN 68 Cb 0.26 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.41 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 -1.72 3.37 0.14 5.41 0.00 0.25 -4.87 121.76 124.33 1joq s ALA 69 Ca 0.24 0.21 0.14 0.00 0.00 0.00 0.00 51.96 52.55 1joq s ALA 69 Cb 0.17 -3.78 0.32 0.00 0.00 0.00 0.00 23.12 19.84 1joq s ALA 69 CO 0.26 -1.76 1.57 0.87 0.00 0.00 0.00 175.76 176.70 1joq h LYS 70 N 9.51 0.00 -4.34 0.00 1.57 -1.88 -3.43 116.57 117.99 1joq h LYS 70 Ca -0.28 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.99 1joq h LYS 70 Cb 1.11 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.07 1joq h LYS 70 CO 1.02 0.58 -0.81 0.15 -0.57 0.00 0.00 179.45 179.83 1joq s LYS 71 N -3.34 1.54 -0.14 3.15 1.02 -1.26 -5.03 119.74 115.68 1joq s LYS 71 Ca 0.00 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.70 1joq s LYS 71 Cb 0.11 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.99 1joq s LYS 71 CO 0.74 -0.13 -0.19 0.42 -0.92 0.00 0.00 175.35 175.28 1joq s ILE 72 N 1.20 1.84 -0.02 2.17 1.01 -1.26 -3.17 121.20 122.97 1joq s ILE 72 Ca -0.05 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1joq s ILE 72 Cb -0.14 -1.66 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 1joq s ILE 72 CO -0.02 0.51 -0.08 -1.61 0.00 0.00 0.00 174.94 173.73 1joq s GLU 73 N 1.09 0.75 -0.02 2.79 2.02 -0.71 -0.04 118.70 124.58 1joq s GLU 73 Ca -0.02 -0.27 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 1joq s GLU 73 Cb -0.14 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.33 1joq s GLU 73 CO -0.06 0.13 0.17 0.14 0.02 0.00 0.00 175.26 175.66 1joq s VAL 74 N 0.04 5.40 -0.42 2.63 -7.23 0.37 -0.26 120.40 120.94 1joq s VAL 74 Ca -0.00 -0.13 0.02 0.00 -1.81 0.00 0.00 61.98 60.06 1joq s VAL 74 Cb -0.06 -3.50 0.12 0.00 0.56 0.00 0.00 36.38 33.50 1joq s VAL 74 CO -0.00 0.36 0.20 -0.70 -0.31 0.00 0.00 175.10 174.65 1joq s GLU 75 N -1.82 1.32 0.82 4.82 2.12 -0.64 -1.66 118.70 123.66 1joq s GLU 75 Ca 0.26 -1.93 -0.12 0.00 0.36 0.00 0.00 54.97 53.53 1joq s GLU 75 Cb -0.13 -2.52 0.09 0.00 0.26 0.00 0.00 34.13 31.84 1joq s GLU 75 CO 0.17 -1.10 1.16 -0.06 -0.54 0.00 0.00 175.26 174.89 1joq s PHE 76 N 0.52 1.91 0.00 5.30 0.40 -1.26 -2.12 117.98 122.73 1joq s PHE 76 Ca 0.16 1.69 0.00 0.00 -0.60 0.00 0.00 56.93 58.17 1joq s PHE 76 Cb -0.23 -3.36 0.00 0.00 0.51 0.00 0.00 43.02 39.94 1joq s PHE 76 CO -0.05 -2.60 0.00 -3.47 0.70 0.00 0.00 175.22 169.80 1joq n ASP 77 N -3.55 0.00 -1.02 1.36 -0.08 -1.26 -4.76 116.55 107.25 1joq n ASP 77 Ca 0.12 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.52 1joq n ASP 77 Cb 0.51 0.00 0.14 0.00 2.34 0.00 0.00 41.12 44.11 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 0.00 2.36 0.00 -0.67 -0.00 -1.26 -4.92 118.16 113.66 1joq n LYS 78 Ca 0.00 -2.04 0.00 0.00 -0.00 0.00 0.00 58.31 56.27 1joq n LYS 78 Cb 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.56 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 1.39 1.74 3.79 2.58 0.00 -1.26 -4.99 105.19 108.44 1joq n GLY 79 Ca 0.16 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 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 3.58 2.65 0.00 1.61 -1.52 -1.26 -4.95 119.66 119.77 1joq s GLN 80 Ca 0.00 1.09 0.20 0.00 -1.95 0.00 0.00 55.36 54.70 1joq s GLN 80 Cb 0.00 -1.95 0.28 0.00 -0.22 0.00 0.00 33.01 31.12 1joq s GLN 80 CO 0.00 -1.33 1.24 0.54 -0.25 0.00 0.00 175.29 175.49 1joq n ARG 81 N -3.19 2.10 -3.80 2.91 1.74 -1.26 -4.78 116.66 110.38 1joq n ARG 81 Ca 0.08 -1.95 -0.13 0.00 -0.77 0.00 0.00 57.85 55.09 1joq n ARG 81 Cb 0.53 -1.42 -0.12 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.46 0.00 0.00 0.55 -4.23 -1.26 -1.65 115.64 107.60 1joq s THR 82 Ca 0.29 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.77 1joq s THR 82 Cb 0.18 -0.31 0.00 0.00 1.34 0.00 0.00 72.50 73.71 1joq s THR 82 CO 0.26 -0.02 0.00 -0.67 -0.54 0.00 0.00 174.62 173.65 1joq n ASP 83 N 2.88 0.00 0.00 3.99 2.03 -0.95 -4.84 116.55 119.66 1joq n ASP 83 Ca -0.13 -0.12 0.11 0.00 0.52 0.00 0.00 54.79 55.17 1joq n ASP 83 Cb 0.58 0.00 0.54 0.00 -0.72 0.00 0.00 41.12 41.52 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1joq n LYS 84 N -0.12 0.17 0.00 -0.67 2.85 -1.26 -2.46 118.16 116.67 1joq n LYS 84 Ca 0.00 0.09 0.11 0.00 -1.05 0.00 0.00 58.31 57.46 1joq n LYS 84 Cb 0.00 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 32.97 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 -1.39 0.00 -0.95 5.58 4.02 -1.26 -4.93 117.16 118.23 1joq n TYR 85 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1joq n TYR 85 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.55 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 1.30 0.90 3.78 2.72 0.00 -1.03 -5.00 105.19 107.85 1joq n GLY 86 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.05 3.94 0.11 1.61 0.52 -1.26 -4.74 118.95 119.08 1joq s ARG 87 Ca 0.00 1.67 -0.30 0.00 -0.52 0.00 0.00 55.73 56.58 1joq s ARG 87 Cb 0.00 -2.48 -0.06 0.00 0.52 0.00 0.00 34.95 32.93 1joq s ARG 87 CO 0.00 -0.37 0.98 0.20 0.02 0.00 0.00 175.30 176.13 1joq s GLY 88 N -1.42 2.97 -0.24 -3.53 0.00 -0.59 -2.24 107.32 102.26 1joq s GLY 88 Ca 0.61 0.61 -0.06 0.00 0.00 0.00 0.00 44.72 45.87 1joq s GLY 88 CO 0.32 1.51 0.03 1.08 0.00 0.00 0.00 173.10 176.04 1joq s LEU 89 N 0.06 3.29 -0.16 0.66 1.43 -0.66 -2.09 118.68 121.20 1joq s LEU 89 Ca 0.48 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 1joq s LEU 89 Cb -0.24 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.27 1joq s LEU 89 CO 0.30 -0.05 1.05 0.00 0.23 0.00 0.00 176.35 177.88 1joq s ALA 90 N 1.55 -1.96 -0.33 4.21 0.00 -1.26 -4.37 121.76 119.60 1joq s ALA 90 Ca 0.06 1.57 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 1joq s ALA 90 Cb -0.15 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1joq s ALA 90 CO 0.01 -0.36 1.06 0.71 0.00 0.00 0.00 175.76 177.17 1joq s TYR 91 N -1.42 3.14 0.56 0.00 2.02 -0.90 -4.52 117.35 116.23 1joq s TYR 91 Ca 0.01 1.14 -0.17 0.00 -0.37 0.00 0.00 57.07 57.68 1joq s TYR 91 Cb -0.01 -3.70 -0.05 0.00 -0.40 0.00 0.00 41.96 37.80 1joq s TYR 91 CO -0.01 -0.78 1.05 0.42 -1.57 0.00 0.00 175.55 174.66 1joq s ILE 92 N 3.65 3.82 -0.04 2.71 1.01 -1.26 -1.62 121.20 129.46 1joq s ILE 92 Ca 0.45 0.94 0.01 0.00 0.00 0.00 0.00 60.65 62.04 1joq s ILE 92 Cb -0.12 -3.41 0.02 0.00 0.01 0.00 0.00 42.46 38.96 1joq s ILE 92 CO 0.16 -0.44 -0.05 -0.31 0.00 0.00 0.00 174.94 174.31 1joq s TYR 93 N -2.32 0.73 -0.10 3.97 1.51 0.65 -1.67 117.35 120.12 1joq s TYR 93 Ca 0.65 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 56.50 1joq s TYR 93 Cb -0.16 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.06 1joq s TYR 93 CO 0.32 -0.18 -0.06 0.00 -1.11 0.00 0.00 175.55 174.52 1joq s ALA 94 N 0.88 1.17 -1.02 3.71 0.00 -0.76 -1.73 121.76 124.00 1joq s ALA 94 Ca -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1joq s ALA 94 Cb -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.14 1joq s ALA 94 CO 0.00 -0.38 0.00 -0.25 0.00 0.00 0.00 175.76 175.13 1joq n ASP 95 N 4.89 -4.13 0.00 0.00 9.92 -1.19 -2.17 116.55 123.87 1joq n ASP 95 Ca -0.12 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1joq n ASP 95 Cb 0.50 -2.52 0.00 0.00 -0.64 0.00 0.00 41.12 38.46 1joq n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1joq n GLY 96 N -1.77 0.49 3.11 0.44 0.00 -1.26 -5.03 105.19 101.17 1joq n GLY 96 Ca -0.10 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.88 2.58 -0.11 1.61 2.20 -0.92 -5.07 119.74 119.15 1joq s LYS 97 Ca 0.00 -0.69 -0.32 0.00 -0.36 0.00 0.00 55.97 54.59 1joq s LYS 97 Cb 0.00 -2.11 -0.10 0.00 -1.51 0.00 0.00 37.83 34.11 1joq s LYS 97 CO 0.00 -0.02 2.00 -0.12 -0.36 0.00 0.00 175.35 176.85 1joq n MET 98 N 4.08 2.20 -0.34 4.03 0.00 -1.26 -1.84 117.12 123.99 1joq n MET 98 Ca -0.20 0.77 -0.03 0.00 -0.00 0.00 0.00 57.70 58.25 1joq n MET 98 Cb 0.51 -2.82 0.11 0.00 0.00 0.00 0.00 33.22 31.03 1joq n MET 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1joq h VAL 99 N 5.97 1.25 0.93 1.12 2.07 -1.66 -0.82 116.25 125.11 1joq h VAL 99 Ca -0.45 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1joq h VAL 99 Cb 1.26 -0.08 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1joq h VAL 99 CO 0.96 0.26 -0.46 0.78 0.02 0.00 0.00 177.57 179.13 1joq h ASN 100 N 1.29 -1.11 -0.31 0.57 4.21 -1.88 -1.91 115.58 116.43 1joq h ASN 100 Ca 0.34 0.04 0.09 0.00 1.21 0.00 0.00 56.30 57.98 1joq h ASN 100 Cb -0.07 0.30 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1joq h ASN 100 CO -0.07 -0.77 0.25 -0.08 -1.29 0.00 0.00 177.43 175.47 1joq h GLU 101 N -1.27 0.00 -0.30 0.81 4.81 -1.90 -0.79 114.58 115.93 1joq h GLU 101 Ca -0.13 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1joq h GLU 101 Cb 0.98 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1joq h GLU 101 CO 0.20 0.00 0.16 0.00 -0.73 0.00 0.00 179.01 178.64 1joq h ALA 102 N 1.79 0.39 -0.20 2.92 0.00 -0.39 -2.07 119.26 121.70 1joq h ALA 102 Ca 0.15 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1joq h ALA 102 Cb 0.64 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1joq h ALA 102 CO -0.00 -0.07 0.11 -0.07 0.00 0.00 0.00 179.25 179.22 1joq h LEU 103 N 0.37 0.25 -0.99 0.00 3.38 -0.54 -2.21 115.31 115.56 1joq h LEU 103 Ca 0.11 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.18 1joq h LEU 103 Cb 0.08 -0.06 -0.11 0.00 0.09 0.00 0.00 40.66 40.66 1joq h LEU 103 CO -0.02 0.26 0.60 0.58 0.09 0.00 0.00 178.44 179.95 1joq h VAL 104 N 0.22 0.70 -0.46 1.22 2.07 -1.21 0.88 116.25 119.67 1joq h VAL 104 Ca 0.07 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1joq h VAL 104 Cb 0.06 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.70 1joq h VAL 104 CO -0.01 0.14 0.18 -0.09 0.02 0.00 0.00 177.57 177.81 1joq h ARG 105 N 0.75 0.69 0.00 1.57 1.12 -0.78 -1.28 114.38 116.44 1joq h ARG 105 Ca 0.57 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 59.32 1joq h ARG 105 Cb 0.89 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.74 1joq h ARG 105 CO -0.39 0.63 0.00 0.94 -3.11 0.00 0.00 179.97 178.04 1joq n GLN 106 N -4.59 0.93 -3.60 0.20 7.27 0.11 -4.75 117.38 112.96 1joq n GLN 106 Ca 0.01 0.00 -0.25 0.00 0.07 0.00 0.00 57.00 56.83 1joq n GLN 106 Cb 0.15 -1.31 0.07 0.00 2.41 0.00 0.00 30.24 31.56 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1joq n GLY 107 N 0.69 -0.54 0.10 1.69 0.00 -0.12 -4.60 105.19 102.41 1joq n GLY 107 Ca 0.14 0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.87 0.90 -3.80 0.99 4.77 -0.76 -3.86 117.00 110.36 1joq n LEU 108 Ca 0.00 -0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 55.25 1joq n LEU 108 Cb 0.56 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.49 1joq n LEU 108 CO 0.65 0.20 -0.36 0.00 -1.33 0.00 0.00 177.39 176.55 1joq s ALA 109 N -2.11 0.14 -0.07 -1.18 0.00 -1.25 -4.48 121.76 112.81 1joq s ALA 109 Ca 0.07 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.12 1joq s ALA 109 Cb 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1joq s ALA 109 CO 0.49 -0.08 0.31 0.15 0.00 0.00 0.00 175.76 176.64 1joq s LYS 110 N 0.88 3.85 0.13 0.00 1.02 -0.61 -4.43 119.74 120.59 1joq s LYS 110 Ca -0.08 0.20 -0.31 0.00 0.02 0.00 0.00 55.97 55.80 1joq s LYS 110 Cb -0.11 -3.25 -0.10 0.00 -0.52 0.00 0.00 37.83 33.85 1joq s LYS 110 CO -0.02 0.62 1.69 0.08 -0.92 0.00 0.00 175.35 176.80 1joq s VAL 111 N -0.74 2.63 0.29 3.17 1.01 -1.26 -0.05 120.40 125.45 1joq s VAL 111 Ca 0.20 0.29 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 1joq s VAL 111 Cb -0.15 -3.18 0.07 0.00 0.00 0.00 0.00 36.38 33.12 1joq s VAL 111 CO 0.09 0.01 0.91 0.00 0.00 0.00 0.00 175.10 176.11 1joq s ALA 112 N 2.02 -1.17 -1.05 5.51 0.00 -0.88 -4.84 121.76 121.34 1joq s ALA 112 Ca 0.75 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1joq s ALA 112 Cb -0.44 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1joq s ALA 112 CO 0.33 -1.03 0.89 0.66 0.00 0.00 0.00 175.76 176.61 1joq n TYR 113 N -0.62 -2.02 -3.08 0.00 4.01 -1.26 -2.52 117.16 111.67 1joq n TYR 113 Ca -0.06 0.83 -0.44 0.00 -0.16 0.00 0.00 57.90 58.08 1joq n TYR 113 Cb 0.60 -4.63 0.00 0.00 -0.31 0.00 0.00 39.34 35.00 1joq n TYR 113 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1joq n VAL 114 N -3.67 4.64 -3.16 -0.72 0.31 -1.26 -3.99 118.33 110.47 1joq n VAL 114 Ca -0.22 -5.25 -0.45 0.00 -0.01 0.00 0.00 64.34 58.40 1joq n VAL 114 Cb 0.64 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.11 1joq n VAL 114 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1joq s TYR 115 N -0.78 3.30 0.98 3.52 2.02 -1.26 -5.00 117.35 120.13 1joq s TYR 115 Ca 0.35 -1.42 -0.13 0.00 -0.37 0.00 0.00 57.07 55.49 1joq s TYR 115 Cb -0.03 -3.99 0.07 0.00 -0.40 0.00 0.00 41.96 37.61 1joq s TYR 115 CO -0.01 -1.21 0.45 0.36 -1.57 0.00 0.00 175.55 173.57 1joq n LYS 116 N 5.49 -0.59 -0.08 -0.62 0.00 -1.26 -2.11 118.16 119.00 1joq n LYS 116 Ca 0.05 -0.13 0.01 0.00 -0.00 0.00 0.00 58.31 58.23 1joq n LYS 116 Cb 0.45 -1.90 0.04 0.00 -0.00 0.00 0.00 35.03 33.62 1joq n LYS 116 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1joq n PRO 117 N -2.16 1.33 -2.34 -1.58 -0.04 -1.26 -5.00 135.00 123.96 1joq n PRO 117 Ca 0.06 -0.33 -0.41 0.00 -0.04 0.00 0.00 63.50 62.78 1joq n PRO 117 Cb 0.55 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.08 4.42 -2.07 3.54 3.02 -0.90 -4.31 115.26 118.89 1joq n ASN 118 Ca 0.03 -2.87 -0.04 0.00 -0.03 0.00 0.00 54.58 51.68 1joq n ASN 118 Cb 0.23 -1.72 0.06 0.00 -0.61 0.00 0.00 39.78 37.74 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1joq n ASN 119 N 9.00 -1.16 0.23 6.41 0.23 -1.26 -4.41 115.26 124.31 1joq n ASN 119 Ca 0.49 -2.13 0.16 0.00 -0.53 0.00 0.00 54.58 52.56 1joq n ASN 119 Cb 0.45 0.50 0.84 0.00 -2.08 0.00 0.00 39.78 39.49 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1joq h THR 120 N 4.46 0.00 0.00 5.53 2.02 -2.01 -2.03 112.91 120.88 1joq h THR 120 Ca -0.48 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 1joq h THR 120 Cb 1.35 0.71 -0.18 0.00 -1.74 0.00 0.00 68.15 68.29 1joq h THR 120 CO -0.21 0.00 -0.70 1.41 0.37 0.00 0.00 175.52 176.40 1joq n HIS 121 N -2.59 0.00 -0.03 3.16 8.25 -1.26 -4.83 115.22 117.92 1joq n HIS 121 Ca -0.02 -0.71 -0.15 0.00 -0.26 0.00 0.00 57.72 56.58 1joq n HIS 121 Cb 0.06 -0.16 -0.10 0.00 1.12 0.00 0.00 29.99 30.91 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 0.71 0.35 -0.62 -0.41 4.22 -1.72 -2.77 114.58 114.34 1joq h GLU 122 Ca -0.11 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.04 1joq h GLU 122 Cb 1.49 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.77 1joq h GLU 122 CO 0.05 0.95 0.40 0.37 -2.18 0.00 0.00 179.01 178.60 1joq h GLN 123 N -0.15 0.83 0.26 1.92 5.75 -1.88 -0.71 115.11 121.13 1joq h GLN 123 Ca -0.03 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1joq h GLN 123 Cb 1.03 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.40 1joq h GLN 123 CO 0.08 0.56 -0.12 1.25 -2.65 0.00 0.00 178.83 177.94 1joq h LEU 124 N 0.85 -0.29 -2.47 -2.39 5.85 -1.90 -1.97 115.31 112.99 1joq h LEU 124 Ca 0.23 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1joq h LEU 124 Cb -0.08 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1joq h LEU 124 CO -0.05 -0.07 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.89 1joq h LEU 125 N -0.51 0.00 -0.13 2.25 3.38 -1.18 -1.99 115.31 117.13 1joq h LEU 125 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1joq h LEU 125 Cb 0.38 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1joq h LEU 125 CO 0.06 0.03 -0.10 -0.09 0.09 0.00 0.00 178.44 178.42 1joq h ARG 126 N 0.00 0.29 0.36 1.13 2.43 -0.42 -0.78 114.38 117.38 1joq h ARG 126 Ca -0.00 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1joq h ARG 126 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1joq h ARG 126 CO 0.00 0.67 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.74 1joq h LYS 127 N -0.08 -0.46 -0.97 0.20 3.64 -0.74 -1.87 116.57 116.28 1joq h LYS 127 Ca 0.02 0.03 0.28 0.00 -1.27 0.00 0.00 60.65 59.71 1joq h LYS 127 Cb 0.61 0.10 -0.14 0.00 -0.41 0.00 0.00 32.23 32.39 1joq h LYS 127 CO 0.03 -0.31 0.50 0.66 -2.27 0.00 0.00 179.45 178.06 1joq h SER 128 N -0.58 0.44 -0.04 4.20 4.64 -1.56 0.26 113.55 120.92 1joq h SER 128 Ca -0.05 0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1joq h SER 128 Cb 0.37 0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.57 1joq h SER 128 CO 0.08 -0.07 -0.09 -0.08 -0.87 0.00 0.00 176.83 175.79 1joq h GLU 129 N 0.37 -0.14 -0.53 4.77 4.22 -1.00 -0.14 114.58 122.13 1joq h GLU 129 Ca 0.67 0.01 0.13 0.00 0.08 0.00 0.00 59.36 60.24 1joq h GLU 129 Cb 1.42 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.68 1joq h GLU 129 CO -0.58 -0.09 0.37 0.00 -2.18 0.00 0.00 179.01 176.53 1joq h ALA 130 N 0.87 2.29 -0.53 2.92 0.00 0.35 0.11 119.26 125.27 1joq h ALA 130 Ca 0.05 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1joq h ALA 130 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1joq h ALA 130 CO -0.12 -0.44 -0.06 0.37 0.00 0.00 0.00 179.25 179.00 1joq h GLN 131 N 0.15 0.95 -0.19 0.00 5.75 -0.28 -2.56 115.11 118.93 1joq h GLN 131 Ca 0.25 -0.31 -0.12 0.00 -0.15 0.00 0.00 58.65 58.32 1joq h GLN 131 Cb 0.79 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 1joq h GLN 131 CO -0.04 0.97 -0.40 0.00 -2.65 0.00 0.00 178.83 176.72 1joq h ALA 132 N 1.06 0.96 -0.23 3.38 0.00 -0.10 -1.98 119.26 122.36 1joq h ALA 132 Ca 0.15 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1joq h ALA 132 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1joq h ALA 132 CO 0.04 0.62 0.15 -0.22 0.00 0.00 0.00 179.25 179.83 1joq h LYS 133 N 0.36 0.31 0.00 0.00 3.64 -0.96 0.27 116.57 120.20 1joq h LYS 133 Ca 0.03 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1joq h LYS 133 Cb 0.86 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1joq h LYS 133 CO 0.07 0.24 -0.26 0.87 -2.27 0.00 0.00 179.45 178.10 1joq h LYS 134 N 0.30 0.00 0.00 1.90 1.79 -1.34 -1.36 116.57 117.87 1joq h LYS 134 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1joq h LYS 134 Cb -0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1joq h LYS 134 CO -0.02 0.26 0.00 0.39 -1.08 0.00 0.00 179.45 179.00 1joq n GLU 135 N -3.89 0.17 -3.72 3.15 1.02 -0.57 -4.94 120.64 111.87 1joq n GLU 135 Ca -0.02 0.16 -0.27 0.00 -0.02 0.00 0.00 57.16 57.02 1joq n GLU 135 Cb 0.34 -1.71 0.01 0.00 -0.02 0.00 0.00 31.44 30.07 1joq n GLU 135 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1joq n LYS 136 N -2.02 -1.19 -3.61 3.49 5.02 -0.02 -4.90 118.16 114.92 1joq n LYS 136 Ca 0.06 0.68 -0.40 0.00 -2.02 0.00 0.00 58.31 56.63 1joq n LYS 136 Cb 0.39 -3.21 -0.11 0.00 -0.02 0.00 0.00 35.03 32.08 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 -5.59 4.66 0.00 -0.35 1.43 -1.24 -4.50 118.68 113.09 1joq s LEU 137 Ca 0.19 -0.99 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1joq s LEU 137 Cb -0.09 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.13 1joq s LEU 137 CO 0.88 -0.37 0.00 0.59 0.23 0.00 0.00 176.35 177.68 1joq n ASN 138 N 4.98 0.00 -0.31 2.29 3.02 -1.26 -3.24 115.26 120.74 1joq n ASN 138 Ca -0.12 0.00 0.26 0.00 -0.03 0.00 0.00 54.58 54.69 1joq n ASN 138 Cb 0.46 0.00 0.48 0.00 -0.61 0.00 0.00 39.78 40.11 1joq n ASN 138 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1joq n ILE 139 N 0.00 -0.40 -0.95 2.41 5.41 -1.25 0.94 119.36 125.52 1joq n ILE 139 Ca 0.00 1.97 -0.14 0.00 1.00 0.00 0.00 62.75 65.59 1joq n ILE 139 Cb 0.00 -3.11 -0.04 0.00 -0.71 0.00 0.00 39.64 35.79 1joq n ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 1joq n TRP 140 N -5.22 0.83 -4.56 1.39 7.02 -1.20 -4.86 117.44 110.85 1joq n TRP 140 Ca 0.32 -1.62 -0.34 0.00 -1.02 0.00 0.00 57.50 54.84 1joq n TRP 140 Cb 1.08 -1.08 -0.12 0.00 -2.42 0.00 0.00 31.31 28.77 1joq n TRP 140 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1joq s SER 141 N 1.07 4.65 -0.00 -0.99 0.01 0.27 -3.69 113.70 115.01 1joq s SER 141 Ca 0.37 -0.09 -0.00 0.00 1.31 0.00 0.00 55.95 57.54 1joq s SER 141 Cb 0.23 -1.44 -0.00 0.00 0.21 0.00 0.00 66.02 65.02 1joq s SER 141 CO -0.05 0.27 -0.01 -0.62 0.41 0.00 0.00 173.24 173.25 1joq n GLU 142 N 2.82 0.01 -4.42 12.44 1.02 -1.26 -5.01 120.64 126.24 1joq n GLU 142 Ca -0.18 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.63 1joq n GLU 142 Cb 0.53 -0.24 -0.14 0.00 -0.02 0.00 0.00 31.44 31.57 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 -4.67 4.22 0.00 1.62 2.15 -1.26 -4.94 116.67 113.80 1joq s ASP 143 Ca -0.01 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.66 1joq s ASP 143 Cb 0.00 -1.68 0.00 0.00 -0.30 0.00 0.00 42.92 40.94 1joq s ASP 143 CO 0.01 0.10 0.00 0.59 -0.17 0.00 0.00 175.17 175.70 1joq n ASN 144 N 3.95 0.00 0.05 -0.34 3.02 -1.26 -4.99 115.26 115.69 1joq n ASN 144 Ca -0.18 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.19 1joq n ASN 144 Cb 0.52 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.95 0.32 -4.40 5.41 0.00 -2.03 -3.47 119.26 117.04 1joq h ALA 145 Ca 0.00 -1.18 -0.38 0.00 0.00 0.00 0.00 54.91 53.36 1joq h ALA 145 Cb 0.00 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1joq h ALA 145 CO 0.00 1.18 -0.54 -3.47 0.00 0.00 0.00 179.25 176.42 1joq n ASP 146 N -3.44 -5.15 -4.89 0.00 2.03 -1.26 -4.96 116.55 98.88 1joq n ASP 146 Ca -0.19 -0.20 -0.28 0.00 0.52 0.00 0.00 54.79 54.64 1joq n ASP 146 Cb 1.05 -4.23 -0.04 0.00 -0.72 0.00 0.00 41.12 37.18 1joq n ASP 146 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1joq s SER 147 N -2.50 6.13 -0.44 1.67 0.15 -1.26 -5.06 113.70 112.39 1joq s SER 147 Ca 0.23 0.14 0.08 0.00 0.70 0.00 0.00 55.95 57.10 1joq s SER 147 Cb -0.11 -1.81 0.25 0.00 -1.71 0.00 0.00 66.02 62.64 1joq s SER 147 CO 0.29 0.11 0.57 0.61 1.20 0.00 0.00 173.24 176.02 1joq n GLY 148 N -0.11 3.25 0.17 9.45 0.00 -1.26 -5.21 105.19 111.48 1joq n GLY 148 Ca -0.07 -1.80 0.02 0.00 0.00 0.00 0.00 46.02 44.17 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26