#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq s THR 2 N 0.00 -0.19 -0.21 0.00 2.01 -1.26 -5.12 115.64 110.87 1joq s THR 2 Ca 0.00 0.34 -0.19 0.00 0.31 0.00 0.00 61.69 62.15 1joq s THR 2 Cb 0.00 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.24 1joq s THR 2 CO 0.00 0.14 0.56 -0.44 -0.69 0.00 0.00 174.62 174.19 1joq s SER 3 N 2.05 6.58 -0.08 3.53 0.01 -1.26 -5.03 113.70 119.51 1joq s SER 3 Ca 0.01 0.71 -0.29 0.00 1.31 0.00 0.00 55.95 57.69 1joq s SER 3 Cb -0.12 -2.31 -0.02 0.00 0.21 0.00 0.00 66.02 63.78 1joq s SER 3 CO -0.05 -0.24 0.98 -0.89 0.41 0.00 0.00 173.24 173.45 1joq s THR 4 N 1.87 4.82 0.24 1.44 2.01 -1.26 -5.01 115.64 119.75 1joq s THR 4 Ca 0.25 2.01 -0.22 0.00 0.31 0.00 0.00 61.69 64.04 1joq s THR 4 Cb -0.16 -4.30 0.03 0.00 0.01 0.00 0.00 72.50 68.09 1joq s THR 4 CO 0.10 0.06 0.79 -0.54 -0.69 0.00 0.00 174.62 174.34 1joq s LYS 5 N 1.69 1.60 0.29 4.92 1.02 -1.26 -5.13 119.74 122.87 1joq s LYS 5 Ca 0.48 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1joq s LYS 5 Cb -0.19 0.55 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1joq s LYS 5 CO 0.21 -0.73 0.00 1.17 -0.92 0.00 0.00 175.35 175.07 1joq n LYS 6 N -0.46 -3.95 0.00 1.68 4.81 -1.26 -5.03 118.16 113.95 1joq n LYS 6 Ca -0.05 2.85 0.00 0.00 -0.87 0.00 0.00 58.31 60.24 1joq n LYS 6 Cb 0.60 -3.14 0.00 0.00 0.02 0.00 0.00 35.03 32.51 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1joq n LEU 7 N 0.28 0.00 -4.34 3.14 4.32 -1.26 -5.07 117.00 114.07 1joq n LEU 7 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 56.01 55.66 1joq n LEU 7 Cb 0.00 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 41.65 1joq n LEU 7 CO 0.00 0.00 -0.47 -2.28 -1.22 0.00 0.00 177.39 173.42 1joq s HIS 8 N 2.27 2.75 -0.12 -1.77 2.46 -1.26 -5.11 115.29 114.52 1joq s HIS 8 Ca 0.00 -0.72 -0.05 0.00 0.47 0.00 0.00 55.06 54.77 1joq s HIS 8 Cb 0.00 -1.81 -0.04 0.00 -0.13 0.00 0.00 32.58 30.61 1joq s HIS 8 CO 0.00 -0.25 0.05 0.15 -2.47 0.00 0.00 174.74 172.23 1joq s LYS 9 N 0.31 3.35 0.22 2.88 1.02 -1.26 -4.12 119.74 122.14 1joq s LYS 9 Ca -0.12 -0.32 0.07 0.00 0.02 0.00 0.00 55.97 55.62 1joq s LYS 9 Cb -0.16 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.10 1joq s LYS 9 CO 0.06 0.62 -0.11 -1.21 -0.92 0.00 0.00 175.35 173.79 1joq s GLU 10 N -0.61 1.35 0.81 1.68 0.41 -0.93 -4.94 118.70 116.47 1joq s GLU 10 Ca 0.11 -1.62 -0.12 0.00 -0.41 0.00 0.00 54.97 52.93 1joq s GLU 10 Cb -0.12 -1.05 0.07 0.00 -1.78 0.00 0.00 34.13 31.25 1joq s GLU 10 CO 0.02 0.13 1.10 -1.25 -0.49 0.00 0.00 175.26 174.77 1joq s PRO 11 N -3.69 2.02 0.29 0.39 0.04 -1.26 -0.95 135.00 131.83 1joq s PRO 11 Ca 0.24 0.59 -0.05 0.00 0.04 0.00 0.00 61.00 61.81 1joq s PRO 11 Cb 0.01 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.66 1joq s PRO 11 CO 0.07 -1.66 0.47 0.00 0.04 0.00 0.00 177.00 175.93 1joq n ALA 12 N -3.45 -0.69 -2.68 8.56 0.00 0.07 -4.66 120.51 117.66 1joq n ALA 12 Ca 0.07 -1.17 -0.19 0.00 0.00 0.00 0.00 53.44 52.15 1joq n ALA 12 Cb 0.57 0.94 -0.14 0.00 0.00 0.00 0.00 19.45 20.82 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 -2.57 0.90 -0.62 0.00 2.01 -0.67 -4.65 115.64 110.04 1joq s THR 13 Ca 0.19 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 61.17 1joq s THR 13 Cb -0.02 -0.81 0.04 0.00 0.01 0.00 0.00 72.50 71.72 1joq s THR 13 CO 0.14 0.05 1.07 -0.22 -0.69 0.00 0.00 174.62 174.97 1joq s LEU 14 N -0.81 3.83 -0.15 4.42 2.96 -1.26 -1.19 118.68 126.48 1joq s LEU 14 Ca 0.01 -0.42 -0.12 0.00 -0.22 0.00 0.00 54.13 53.38 1joq s LEU 14 Cb -0.06 -2.75 -0.09 0.00 0.50 0.00 0.00 46.19 43.79 1joq s LEU 14 CO 0.00 -1.45 0.03 0.40 -1.32 0.00 0.00 176.35 174.01 1joq h ILE 15 N 6.04 0.38 -1.16 6.68 2.04 -1.58 -3.48 117.51 126.43 1joq h ILE 15 Ca -0.27 -1.41 0.16 0.00 1.00 0.00 0.00 64.86 64.34 1joq h ILE 15 Cb 1.06 0.85 -0.23 0.00 -0.74 0.00 0.00 36.82 37.76 1joq h ILE 15 CO 1.17 0.13 0.17 -0.75 0.00 0.00 0.00 178.15 178.87 1joq s LYS 16 N -2.15 0.34 0.31 2.37 2.47 -1.03 -5.02 119.74 117.02 1joq s LYS 16 Ca -0.16 0.84 -0.28 0.00 -1.56 0.00 0.00 55.97 54.81 1joq s LYS 16 Cb 0.02 0.50 -0.09 0.00 -1.46 0.00 0.00 37.83 36.80 1joq s LYS 16 CO 0.32 -0.11 1.10 0.00 0.16 0.00 0.00 175.35 176.81 1joq s ALA 17 N 2.49 3.33 -0.08 3.13 0.00 -1.26 -2.24 121.76 127.14 1joq s ALA 17 Ca -0.03 0.87 -0.09 0.00 0.00 0.00 0.00 51.96 52.71 1joq s ALA 17 Cb -0.07 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1joq s ALA 17 CO -0.18 -0.20 -0.19 -0.89 0.00 0.00 0.00 175.76 174.30 1joq n ILE 18 N 0.88 1.22 -2.01 0.00 5.41 -0.81 -4.94 119.36 119.12 1joq n ILE 18 Ca 0.00 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1joq n ILE 18 Cb 0.46 -1.91 0.00 0.00 -0.71 0.00 0.00 39.64 37.47 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 -3.91 0.01 -0.00 4.38 8.00 -0.72 -5.01 116.55 119.29 1joq n ASP 19 Ca -0.14 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.35 1joq n ASP 19 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.49 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1joq h GLY 20 N 0.00 -0.10 -4.00 0.44 0.00 -1.83 -3.36 103.07 94.22 1joq h GLY 20 Ca 0.00 0.04 -0.68 0.00 0.00 0.00 0.00 47.33 46.69 1joq h GLY 20 CO 0.00 -0.04 0.87 2.09 0.00 0.00 0.00 176.54 179.46 1joq n ASP 21 N -4.52 7.70 -3.56 0.19 5.68 -1.26 -4.66 116.55 116.12 1joq n ASP 21 Ca -0.01 -3.79 -0.12 0.00 -0.50 0.00 0.00 54.79 50.37 1joq n ASP 21 Cb 0.04 -0.98 -0.11 0.00 -1.14 0.00 0.00 41.12 38.93 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1joq s THR 22 N -4.83 -0.51 -0.14 2.12 2.01 -1.26 -2.07 115.64 110.96 1joq s THR 22 Ca 0.65 0.11 -0.14 0.00 0.31 0.00 0.00 61.69 62.62 1joq s THR 22 Cb 0.51 -0.62 0.04 0.00 0.01 0.00 0.00 72.50 72.43 1joq s THR 22 CO -0.01 0.00 0.39 0.68 -0.69 0.00 0.00 174.62 174.99 1joq s VAL 23 N 2.48 0.00 -0.32 3.82 -7.23 -1.05 -1.76 120.40 116.35 1joq s VAL 23 Ca 0.04 -0.02 -0.19 0.00 -1.81 0.00 0.00 61.98 60.00 1joq s VAL 23 Cb -0.13 -0.55 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 1joq s VAL 23 CO -0.12 -0.01 0.55 -0.54 -0.31 0.00 0.00 175.10 174.68 1joq s LYS 24 N 0.14 3.78 0.09 4.82 1.02 -0.95 -1.52 119.74 127.12 1joq s LYS 24 Ca -0.01 0.06 0.08 0.00 0.02 0.00 0.00 55.97 56.13 1joq s LYS 24 Cb -0.03 -3.76 -0.03 0.00 -0.52 0.00 0.00 37.83 33.49 1joq s LYS 24 CO 0.01 -0.58 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.13 1joq s LEU 25 N 2.47 2.27 0.26 3.17 1.43 -0.92 -1.39 118.68 125.98 1joq s LEU 25 Ca 0.21 -0.66 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 1joq s LEU 25 Cb -0.15 -0.95 -0.09 0.00 0.03 0.00 0.00 46.19 45.03 1joq s LEU 25 CO 0.12 0.10 0.92 -0.32 0.23 0.00 0.00 176.35 177.40 1joq s MET 26 N -1.77 4.73 -0.17 1.70 -2.45 -0.34 -2.24 119.30 118.76 1joq s MET 26 Ca 0.08 1.39 -0.02 0.00 -1.25 0.00 0.00 55.69 55.89 1joq s MET 26 Cb -0.10 -3.11 0.05 0.00 1.25 0.00 0.00 34.83 32.93 1joq s MET 26 CO 0.04 0.44 0.01 -0.47 1.05 0.00 0.00 175.02 176.09 1joq s TYR 27 N -1.33 1.15 -0.72 4.11 5.04 -0.21 -1.68 117.35 123.71 1joq s TYR 27 Ca 0.44 -0.82 -0.04 0.00 -2.44 0.00 0.00 57.07 54.21 1joq s TYR 27 Cb -0.23 -1.06 0.04 0.00 0.35 0.00 0.00 41.96 41.05 1joq s TYR 27 CO 0.29 -0.57 0.15 1.63 -1.34 0.00 0.00 175.55 175.71 1joq n LYS 28 N 5.02 -2.65 -1.21 4.97 5.02 -1.26 0.52 118.16 128.58 1joq n LYS 28 Ca -0.09 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1joq n LYS 28 Cb 0.48 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 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 -0.77 1.05 2.68 0.72 0.00 -1.26 -5.05 105.19 102.56 1joq n GLY 29 Ca -0.03 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.67 0.46 -0.47 1.61 0.74 0.19 -5.10 119.66 114.41 1joq s GLN 30 Ca 0.00 -0.65 -0.28 0.00 0.05 0.00 0.00 55.36 54.48 1joq s GLN 30 Cb 0.00 -0.85 0.01 0.00 1.10 0.00 0.00 33.01 33.26 1joq s GLN 30 CO 0.00 -1.12 1.49 -1.25 -0.55 0.00 0.00 175.29 173.86 1joq s PRO 31 N 1.78 3.37 0.09 1.67 0.04 -1.26 -1.05 135.00 139.64 1joq s PRO 31 Ca 0.13 0.78 0.05 0.00 0.04 0.00 0.00 61.00 62.00 1joq s PRO 31 Cb -0.16 -4.11 -0.03 0.00 0.04 0.00 0.00 34.50 30.24 1joq s PRO 31 CO -0.17 -1.83 -0.12 -1.64 0.04 0.00 0.00 177.00 173.28 1joq s MET 32 N 5.39 0.86 -0.36 4.56 -1.94 -0.95 -4.92 119.30 121.94 1joq s MET 32 Ca 0.60 -1.08 -0.22 0.00 -1.71 0.00 0.00 55.69 53.28 1joq s MET 32 Cb -0.13 -0.70 0.01 0.00 2.01 0.00 0.00 34.83 36.02 1joq s MET 32 CO 0.29 0.13 0.75 -0.08 -0.01 0.00 0.00 175.02 176.10 1joq s THR 33 N -1.91 4.77 0.13 2.05 -1.32 -1.26 -2.16 115.64 115.94 1joq s THR 33 Ca 0.03 0.82 -0.09 0.00 -1.21 0.00 0.00 61.69 61.23 1joq s THR 33 Cb -0.06 -4.18 -0.06 0.00 -1.51 0.00 0.00 72.50 66.69 1joq s THR 33 CO 0.01 -0.40 0.43 -0.36 -2.21 0.00 0.00 174.62 172.10 1joq s PHE 34 N 3.00 3.53 -0.12 9.09 0.40 -0.57 -1.94 117.98 131.36 1joq s PHE 34 Ca 0.30 0.77 0.03 0.00 -0.60 0.00 0.00 56.93 57.42 1joq s PHE 34 Cb -0.14 -2.16 0.01 0.00 0.51 0.00 0.00 43.02 41.25 1joq s PHE 34 CO 0.16 0.44 -0.20 0.50 0.70 0.00 0.00 175.22 176.83 1joq s ARG 35 N -2.27 2.74 -0.14 0.44 3.52 -0.99 -2.52 118.95 119.72 1joq s ARG 35 Ca 0.38 -0.76 -0.41 0.00 -0.13 0.00 0.00 55.73 54.82 1joq s ARG 35 Cb -0.13 -2.21 -0.18 0.00 -1.56 0.00 0.00 34.95 30.87 1joq s ARG 35 CO 0.20 0.01 1.42 1.28 -0.81 0.00 0.00 175.30 177.40 1joq n LEU 36 N 3.99 1.29 -4.85 -0.88 4.77 -0.88 -4.36 117.00 116.09 1joq n LEU 36 Ca -0.20 1.13 -0.32 0.00 -0.03 0.00 0.00 56.01 56.60 1joq n LEU 36 Cb 0.52 -1.04 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1joq n LEU 36 CO 0.26 -1.09 0.46 -0.76 -1.33 0.00 0.00 177.39 174.93 1joq s LEU 37 N 1.60 4.01 -0.42 2.23 1.43 -1.26 -3.75 118.68 122.52 1joq s LEU 37 Ca 0.94 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1joq s LEU 37 Cb -1.18 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 40.90 1joq s LEU 37 CO 0.61 -0.26 0.00 0.18 0.23 0.00 0.00 176.35 177.12 1joq n LEU 38 N -0.54 0.01 -3.97 1.79 4.77 -1.26 -4.97 117.00 112.84 1joq n LEU 38 Ca 0.04 0.10 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1joq n LEU 38 Cb 0.53 -1.56 -0.07 0.00 -2.33 0.00 0.00 43.42 39.99 1joq n LEU 38 CO 0.42 -0.51 -0.07 0.68 -1.33 0.00 0.00 177.39 176.57 1joq s VAL 39 N -1.84 0.09 -0.13 4.08 -7.23 -1.25 -2.04 120.40 112.08 1joq s VAL 39 Ca 0.00 -1.43 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 1joq s VAL 39 Cb 0.00 -1.77 0.06 0.00 0.56 0.00 0.00 36.38 35.22 1joq s VAL 39 CO 0.00 -0.39 0.29 -0.62 -0.31 0.00 0.00 175.10 174.07 1joq s ASP 40 N -2.96 -0.15 0.27 4.85 2.15 -0.01 -4.73 116.67 116.10 1joq s ASP 40 Ca 0.16 0.63 -0.29 0.00 0.43 0.00 0.00 52.55 53.47 1joq s ASP 40 Cb 0.04 0.60 -0.09 0.00 -0.30 0.00 0.00 42.92 43.16 1joq s ASP 40 CO -0.02 -0.19 1.24 0.28 -0.17 0.00 0.00 175.17 176.31 1joq s THR 41 N 1.66 3.14 0.00 1.71 -1.32 -1.26 -2.37 115.64 117.20 1joq s THR 41 Ca -0.06 1.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.48 1joq s THR 41 Cb -0.11 -3.68 0.00 0.00 -1.51 0.00 0.00 72.50 67.20 1joq s THR 41 CO -0.09 0.22 0.00 -0.81 -2.21 0.00 0.00 174.62 171.73 1joq n PRO 42 N 1.57 0.50 -1.61 7.08 -0.04 -1.26 -4.93 135.00 136.31 1joq n PRO 42 Ca 0.02 0.00 -0.47 0.00 -0.04 0.00 0.00 63.50 63.01 1joq n PRO 42 Cb 0.43 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.45 1.48 0.00 0.54 4.07 -1.26 -4.87 120.64 120.15 1joq n GLU 43 Ca 0.00 0.52 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1joq n GLU 43 Cb 0.00 -2.04 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 1joq n THR 44 N 1.31 0.00 0.01 6.31 5.66 -1.26 -3.81 114.28 122.50 1joq n THR 44 Ca 0.13 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.12 1joq n THR 44 Cb 0.28 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.06 1joq n THR 44 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1joq h LYS 45 N 0.00 -0.03 -6.71 1.09 1.63 -1.89 -3.47 116.57 107.19 1joq h LYS 45 Ca 0.00 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.14 1joq h LYS 45 Cb 0.00 0.01 -0.20 0.00 -0.60 0.00 0.00 32.23 31.44 1joq h LYS 45 CO 0.00 -0.02 -0.83 -1.01 -3.45 0.00 0.00 179.45 174.14 1joq s HIS 46 N -1.87 2.33 -0.28 1.91 3.76 -1.26 -5.02 115.29 114.85 1joq s HIS 46 Ca -0.00 -0.36 0.19 0.00 -0.15 0.00 0.00 55.06 54.74 1joq s HIS 46 Cb 0.00 -1.19 0.16 0.00 1.11 0.00 0.00 32.58 32.66 1joq s HIS 46 CO 0.01 0.45 1.45 -1.00 -0.85 0.00 0.00 174.74 174.80 1joq h PRO 47 N 3.43 0.00 0.27 8.40 0.13 -1.93 -3.35 132.00 138.95 1joq h PRO 47 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1joq h PRO 47 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1joq h PRO 47 CO 0.45 0.25 -0.26 0.87 -0.23 0.00 0.00 178.00 179.08 1joq h LYS 48 N 0.00 -0.54 0.00 0.86 1.57 -1.98 -3.45 116.57 113.03 1joq h LYS 48 Ca -0.01 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1joq h LYS 48 Cb 1.21 0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1joq h LYS 48 CO 0.03 -0.36 0.00 1.17 -0.57 0.00 0.00 179.45 179.72 1joq n LYS 49 N -5.38 0.00 0.00 3.15 4.81 -1.26 -5.06 118.16 114.42 1joq n LYS 49 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1joq n LYS 49 Cb 0.29 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.34 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 -1.14 2.27 3.81 3.14 0.00 -1.26 -4.33 105.19 107.67 1joq n GLY 50 Ca 0.00 0.41 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 1joq n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joq s VAL 51 N 0.00 4.47 -0.50 1.61 1.01 -1.26 -4.96 120.40 120.77 1joq s VAL 51 Ca 0.00 1.43 0.22 0.00 0.00 0.00 0.00 61.98 63.63 1joq s VAL 51 Cb 0.00 -3.90 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 1joq s VAL 51 CO 0.00 0.19 0.87 -0.62 0.00 0.00 0.00 175.10 175.54 1joq n GLU 52 N 0.68 0.36 -2.21 2.72 -0.58 -1.26 -3.91 120.64 116.43 1joq n GLU 52 Ca -0.01 -0.04 -0.38 0.00 -0.42 0.00 0.00 57.16 56.31 1joq n GLU 52 Cb 0.51 -1.58 -0.03 0.00 -0.57 0.00 0.00 31.44 29.77 1joq n GLU 52 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1joq s LYS 53 N -3.26 2.83 -0.42 3.49 3.01 -1.26 -3.78 119.74 120.35 1joq s LYS 53 Ca 0.01 0.14 0.00 0.00 -1.01 0.00 0.00 55.97 55.11 1joq s LYS 53 Cb 0.14 -4.49 0.00 0.00 -1.01 0.00 0.00 37.83 32.47 1joq s LYS 53 CO 0.84 -2.63 0.00 0.66 0.51 0.00 0.00 175.35 174.73 1joq n TYR 54 N 11.76 -1.74 0.00 3.18 4.01 -1.26 -4.66 117.16 128.45 1joq n TYR 54 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 1joq n TYR 54 Cb 0.50 -1.68 0.00 0.00 -0.31 0.00 0.00 39.34 37.85 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 -0.60 -0.71 3.57 2.72 0.00 -1.25 -4.41 105.19 104.51 1joq n GLY 55 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.15 3.43 0.19 1.61 0.04 -1.26 -4.14 135.00 134.72 1joq s PRO 56 Ca 0.00 -1.47 0.00 0.00 0.04 0.00 0.00 61.00 59.57 1joq s PRO 56 Cb 0.00 -5.39 0.00 0.00 0.04 0.00 0.00 34.50 29.15 1joq s PRO 56 CO 0.00 -2.75 0.00 -1.91 0.04 0.00 0.00 177.00 172.38 1joq n GLU 57 N 8.51 0.00 -0.06 4.56 2.13 -1.26 -4.88 120.64 129.65 1joq n GLU 57 Ca 0.44 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 58.25 1joq n GLU 57 Cb 0.47 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.45 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 1.34 -0.32 4.31 0.00 -1.81 -2.28 119.26 120.50 1joq h ALA 58 Ca 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1joq h ALA 58 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1joq h ALA 58 CO 0.00 0.47 0.04 1.03 0.00 0.00 0.00 179.25 180.79 1joq h SER 59 N 0.64 0.52 0.16 0.00 0.87 -1.84 -2.56 113.55 111.35 1joq h SER 59 Ca 0.14 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 1joq h SER 59 Cb 0.26 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1joq h SER 59 CO -0.00 0.66 -0.15 0.00 -0.53 0.00 0.00 176.83 176.81 1joq h ALA 60 N 0.88 1.71 0.64 6.23 0.00 -1.82 0.25 119.26 127.15 1joq h ALA 60 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1joq h ALA 60 Cb 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1joq h ALA 60 CO 0.01 0.19 -0.31 0.35 0.00 0.00 0.00 179.25 179.49 1joq h PHE 61 N 0.00 -0.80 0.00 0.00 3.04 -1.03 -2.45 116.94 115.70 1joq h PHE 61 Ca -0.00 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1joq h PHE 61 Cb 0.27 0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.05 1joq h PHE 61 CO 0.00 -0.50 0.00 2.41 -2.02 0.00 0.00 178.31 178.20 1joq n THR 62 N -5.18 0.77 0.01 4.41 -1.04 -1.04 -1.81 114.28 110.40 1joq n THR 62 Ca -0.11 0.18 -0.10 0.00 -2.04 0.00 0.00 64.05 61.99 1joq n THR 62 Cb 0.34 -0.91 -0.07 0.00 -1.82 0.00 0.00 70.33 67.87 1joq n THR 62 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1joq h LYS 63 N 0.00 -0.13 -0.01 -2.82 3.11 -0.35 -2.64 116.57 113.72 1joq h LYS 63 Ca 0.00 0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 57.67 1joq h LYS 63 Cb 0.33 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1joq h LYS 63 CO 0.00 0.34 -0.81 0.87 -2.81 0.00 0.00 179.45 177.04 1joq h LYS 64 N -0.91 0.16 0.16 1.90 1.57 -1.44 -1.42 116.57 116.59 1joq h LYS 64 Ca -0.01 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1joq h LYS 64 Cb 0.53 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1joq h LYS 64 CO 0.02 0.88 -0.08 1.98 -0.57 0.00 0.00 179.45 181.69 1joq h MET 65 N 0.10 -0.20 0.00 3.15 4.05 -1.47 -1.04 114.93 119.52 1joq h MET 65 Ca -0.03 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1joq h MET 65 Cb 1.41 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.26 1joq h MET 65 CO 0.12 -0.07 0.00 -0.39 0.23 0.00 0.00 176.91 176.80 1joq h VAL 66 N -0.30 0.00 -0.01 -5.77 -1.51 -1.52 -0.70 116.25 106.44 1joq h VAL 66 Ca -0.02 -0.76 -0.17 0.00 -1.23 0.00 0.00 66.70 64.51 1joq h VAL 66 Cb 0.23 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 31.13 1joq h VAL 66 CO 0.04 0.00 -0.78 -0.33 -1.23 0.00 0.00 177.57 175.26 1joq h GLU 67 N 0.00 0.11 0.00 5.19 4.39 -0.81 -3.24 114.58 120.23 1joq h GLU 67 Ca 0.00 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1joq h GLU 67 Cb 0.79 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1joq h GLU 67 CO 0.00 0.84 -1.03 0.09 -1.16 0.00 0.00 179.01 177.75 1joq n ASN 68 N -3.68 0.83 -4.55 1.42 3.02 -0.43 -4.89 115.26 106.98 1joq n ASN 68 Ca -0.02 -0.76 -0.37 0.00 -0.03 0.00 0.00 54.58 53.39 1joq n ASN 68 Cb 0.74 1.15 -0.04 0.00 -0.61 0.00 0.00 39.78 41.02 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1joq n ALA 69 N -1.55 0.83 0.27 5.41 0.00 -0.28 -4.75 120.51 120.44 1joq n ALA 69 Ca 0.02 -0.80 0.15 0.00 0.00 0.00 0.00 53.44 52.81 1joq n ALA 69 Cb 0.32 -3.09 0.70 0.00 0.00 0.00 0.00 19.45 17.38 1joq n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1joq h LYS 70 N 18.39 0.00 -4.27 0.00 1.57 -1.90 -3.41 116.57 126.96 1joq h LYS 70 Ca -0.24 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.03 1joq h LYS 70 Cb 1.27 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 33.23 1joq h LYS 70 CO 1.16 0.08 -0.80 0.15 -0.57 0.00 0.00 179.45 179.47 1joq s LYS 71 N -3.84 1.46 -0.08 3.15 -0.14 -1.26 -5.03 119.74 114.01 1joq s LYS 71 Ca -0.01 -0.26 0.02 0.00 -1.36 0.00 0.00 55.97 54.36 1joq s LYS 71 Cb 0.11 -1.44 0.02 0.00 -1.68 0.00 0.00 37.83 34.83 1joq s LYS 71 CO 0.56 -0.17 -0.12 0.42 -0.76 0.00 0.00 175.35 175.28 1joq s ILE 72 N 1.37 1.18 0.05 2.17 1.01 -1.26 -2.56 121.20 123.16 1joq s ILE 72 Ca -0.02 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1joq s ILE 72 Cb -0.14 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.21 1joq s ILE 72 CO -0.04 0.37 -0.11 -1.61 0.00 0.00 0.00 174.94 173.55 1joq s GLU 73 N 0.88 0.69 -0.02 2.79 2.02 -0.94 -0.75 118.70 123.36 1joq s GLU 73 Ca -0.10 -0.80 0.04 0.00 0.02 0.00 0.00 54.97 54.12 1joq s GLU 73 Cb -0.15 -0.59 -0.03 0.00 0.10 0.00 0.00 34.13 33.46 1joq s GLU 73 CO 0.01 0.13 -0.12 0.14 0.02 0.00 0.00 175.26 175.44 1joq s VAL 74 N -1.20 3.28 -0.44 2.63 -7.23 -0.13 -1.77 120.40 115.55 1joq s VAL 74 Ca -0.05 -0.78 0.02 0.00 -1.81 0.00 0.00 61.98 59.37 1joq s VAL 74 Cb -0.09 -2.35 0.12 0.00 0.56 0.00 0.00 36.38 34.61 1joq s VAL 74 CO 0.01 0.49 0.18 -0.70 -0.31 0.00 0.00 175.10 174.77 1joq s GLU 75 N -1.05 1.82 0.12 4.82 2.12 -0.58 -2.19 118.70 123.75 1joq s GLU 75 Ca 0.14 -2.19 -0.31 0.00 0.36 0.00 0.00 54.97 52.97 1joq s GLU 75 Cb -0.11 -3.35 -0.10 0.00 0.26 0.00 0.00 34.13 30.84 1joq s GLU 75 CO 0.03 -1.04 1.71 -0.06 -0.54 0.00 0.00 175.26 175.37 1joq s PHE 76 N 0.44 2.49 1.17 5.30 0.08 -1.26 -2.37 117.98 123.83 1joq s PHE 76 Ca 0.13 0.25 -0.19 0.00 0.12 0.00 0.00 56.93 57.25 1joq s PHE 76 Cb -0.22 -4.05 0.28 0.00 -0.57 0.00 0.00 43.02 38.45 1joq s PHE 76 CO -0.04 -4.19 1.13 0.34 -0.10 0.00 0.00 175.22 172.35 1joq s ASP 77 N 2.16 1.17 0.00 1.36 -1.08 -1.26 -4.66 116.67 114.36 1joq s ASP 77 Ca 0.76 0.62 0.31 0.00 -0.52 0.00 0.00 52.55 53.72 1joq s ASP 77 Cb -0.44 -0.87 1.70 0.00 -1.46 0.00 0.00 42.92 41.85 1joq s ASP 77 CO 0.33 -3.97 2.12 2.29 0.52 0.00 0.00 175.17 176.47 1joq n LYS 78 N -4.66 0.72 0.00 4.34 2.85 -1.26 -4.80 118.16 115.36 1joq n LYS 78 Ca 0.13 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1joq n LYS 78 Cb 0.59 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 1joq n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1joq n GLY 79 N 1.09 0.95 3.30 2.58 0.00 -1.26 -4.94 105.19 106.92 1joq n GLY 79 Ca 0.19 -1.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 1joq n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1joq n GLN 80 N 0.00 -1.83 0.00 1.61 6.02 -1.26 -4.94 117.38 116.98 1joq n GLN 80 Ca 0.00 -0.52 0.01 0.00 -0.01 0.00 0.00 57.00 56.48 1joq n GLN 80 Cb 0.00 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.49 1joq n GLN 80 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1joq n ARG 81 N -2.61 1.64 -3.71 -1.09 1.74 -1.26 -4.69 116.66 106.68 1joq n ARG 81 Ca 0.01 -0.38 -0.11 0.00 -0.77 0.00 0.00 57.85 56.59 1joq n ARG 81 Cb 0.61 -0.87 -0.11 0.00 -1.02 0.00 0.00 32.46 31.08 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 -0.43 -0.02 0.98 0.55 -4.23 -1.26 -2.09 115.64 109.14 1joq s THR 82 Ca 0.01 0.07 -0.17 0.00 -1.18 0.00 0.00 61.69 60.42 1joq s THR 82 Cb 0.01 -0.58 0.23 0.00 1.34 0.00 0.00 72.50 73.50 1joq s THR 82 CO 0.02 0.03 1.30 -0.90 -0.54 0.00 0.00 174.62 174.53 1joq n ASP 83 N 3.86 -0.05 0.22 3.99 5.68 -0.70 -4.88 116.55 124.67 1joq n ASP 83 Ca -0.21 -1.45 0.08 0.00 -0.50 0.00 0.00 54.79 52.71 1joq n ASP 83 Cb 0.56 -1.00 0.51 0.00 -1.14 0.00 0.00 41.12 40.05 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1joq h LYS 84 N 0.00 0.00 0.00 0.11 2.10 -2.02 -1.77 116.57 114.99 1joq h LYS 84 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1joq h LYS 84 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1joq h LYS 84 CO 0.30 0.25 0.00 0.66 -2.00 0.00 0.00 179.45 178.66 1joq n TYR 85 N -3.77 0.00 -1.81 0.07 4.02 -1.26 -4.82 117.16 109.60 1joq n TYR 85 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1joq n TYR 85 Cb 0.35 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 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 -0.30 0.55 3.67 2.72 0.00 -0.67 -5.06 105.19 106.11 1joq n GLY 86 Ca 0.04 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.71 2.40 0.11 1.61 0.52 -1.26 -4.83 118.95 113.79 1joq s ARG 87 Ca 0.00 -1.27 -0.23 0.00 -0.52 0.00 0.00 55.73 53.71 1joq s ARG 87 Cb 0.00 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 1joq s ARG 87 CO 0.00 0.40 0.71 0.20 0.02 0.00 0.00 175.30 176.63 1joq s GLY 88 N -3.43 2.82 -0.23 -3.53 0.00 -0.82 -1.72 107.32 100.41 1joq s GLY 88 Ca 0.30 0.24 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 1joq s GLY 88 CO 0.20 0.80 -0.04 1.08 0.00 0.00 0.00 173.10 175.14 1joq s LEU 89 N -0.88 2.96 -0.13 0.66 1.43 -0.89 -2.35 118.68 119.49 1joq s LEU 89 Ca 0.34 -0.44 -0.31 0.00 -1.03 0.00 0.00 54.13 52.69 1joq s LEU 89 Cb -0.21 -1.74 0.13 0.00 0.03 0.00 0.00 46.19 44.39 1joq s LEU 89 CO 0.23 -0.04 1.04 0.00 0.23 0.00 0.00 176.35 177.81 1joq s ALA 90 N 1.47 -1.94 -0.06 4.21 0.00 -1.26 -4.30 121.76 119.87 1joq s ALA 90 Ca 0.05 1.43 -0.30 0.00 0.00 0.00 0.00 51.96 53.14 1joq s ALA 90 Cb -0.15 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1joq s ALA 90 CO -0.03 -0.49 1.15 0.71 0.00 0.00 0.00 175.76 177.10 1joq s TYR 91 N -2.05 3.28 0.03 0.00 2.02 -1.00 -4.33 117.35 115.30 1joq s TYR 91 Ca 0.04 1.32 -0.17 0.00 -0.37 0.00 0.00 57.07 57.89 1joq s TYR 91 Cb -0.01 -3.36 -0.06 0.00 -0.40 0.00 0.00 41.96 38.13 1joq s TYR 91 CO -0.04 -1.02 0.48 0.42 -1.57 0.00 0.00 175.55 173.82 1joq s ILE 92 N 2.12 4.91 -0.08 2.71 1.01 -1.26 -1.53 121.20 129.09 1joq s ILE 92 Ca 0.54 1.00 0.00 0.00 0.00 0.00 0.00 60.65 62.19 1joq s ILE 92 Cb -0.23 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.47 1joq s ILE 92 CO 0.21 0.56 -0.07 -0.31 0.00 0.00 0.00 174.94 175.34 1joq s TYR 93 N -1.06 1.16 -0.05 3.97 2.02 -0.73 -1.92 117.35 120.75 1joq s TYR 93 Ca 0.26 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1joq s TYR 93 Cb -0.18 -0.98 -0.01 0.00 -0.40 0.00 0.00 41.96 40.39 1joq s TYR 93 CO 0.16 -0.34 -0.24 0.00 -1.57 0.00 0.00 175.55 173.55 1joq s ALA 94 N 1.29 2.07 -1.39 3.71 0.00 0.52 -2.21 121.76 125.75 1joq s ALA 94 Ca -0.04 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 1joq s ALA 94 Cb -0.14 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1joq s ALA 94 CO -0.03 0.40 0.43 -0.25 0.00 0.00 0.00 175.76 176.32 1joq n ASP 95 N 2.96 -5.50 -1.04 0.00 9.92 -1.06 -1.22 116.55 120.61 1joq n ASP 95 Ca -0.17 -0.21 -0.14 0.00 -0.53 0.00 0.00 54.79 53.74 1joq n ASP 95 Cb 0.52 -4.38 -0.06 0.00 -0.64 0.00 0.00 41.12 36.57 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 -1.35 1.41 3.39 0.44 0.00 -1.26 -4.98 105.19 102.84 1joq n GLY 96 Ca -0.12 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.11 1.46 -0.20 1.61 2.20 -0.36 -5.11 119.74 116.23 1joq s LYS 97 Ca 0.00 -1.67 -0.20 0.00 -0.36 0.00 0.00 55.97 53.74 1joq s LYS 97 Cb 0.00 -1.28 -0.03 0.00 -1.51 0.00 0.00 37.83 35.01 1joq s LYS 97 CO 0.00 0.19 0.59 1.41 -0.36 0.00 0.00 175.35 177.17 1joq s MET 98 N -3.63 4.21 0.13 4.03 -2.45 -1.26 -0.35 119.30 119.98 1joq s MET 98 Ca 0.26 0.54 -0.12 0.00 -1.25 0.00 0.00 55.69 55.11 1joq s MET 98 Cb -0.01 -3.57 -0.03 0.00 1.25 0.00 0.00 34.83 32.47 1joq s MET 98 CO 0.10 -0.20 1.50 0.28 1.05 0.00 0.00 175.02 177.75 1joq h VAL 99 N 5.15 1.28 -0.92 10.11 2.07 -1.72 -2.41 116.25 129.80 1joq h VAL 99 Ca -0.33 -1.39 0.15 0.00 0.82 0.00 0.00 66.70 65.96 1joq h VAL 99 Cb 1.15 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 32.13 1joq h VAL 99 CO 0.76 0.47 0.52 0.78 0.02 0.00 0.00 177.57 180.12 1joq h ASN 100 N 0.68 0.68 0.59 0.57 4.21 -1.93 0.14 115.58 120.52 1joq h ASN 100 Ca 0.08 0.09 -0.15 0.00 1.21 0.00 0.00 56.30 57.53 1joq h ASN 100 Cb 0.81 -0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.96 1joq h ASN 100 CO 0.07 0.29 -0.69 -0.08 -1.29 0.00 0.00 177.43 175.73 1joq h GLU 101 N 0.73 0.08 0.32 0.81 4.22 -1.90 -2.54 114.58 116.31 1joq h GLU 101 Ca 0.50 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.87 1joq h GLU 101 Cb 0.69 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1joq h GLU 101 CO -0.35 0.74 -0.21 0.00 -2.18 0.00 0.00 179.01 177.00 1joq h ALA 102 N 1.25 -0.51 -0.02 2.92 0.00 -0.22 0.95 119.26 123.62 1joq h ALA 102 Ca -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1joq h ALA 102 Cb 1.22 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1joq h ALA 102 CO 0.10 -0.80 0.00 -0.07 0.00 0.00 0.00 179.25 178.48 1joq h LEU 103 N -0.52 0.02 -2.23 0.00 3.38 -1.45 -1.81 115.31 112.70 1joq h LEU 103 Ca -0.03 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1joq h LEU 103 Cb 0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1joq h LEU 103 CO 0.02 0.23 0.24 0.58 0.09 0.00 0.00 178.44 179.60 1joq h VAL 104 N -0.18 0.32 -0.06 1.22 2.07 -1.33 0.13 116.25 118.42 1joq h VAL 104 Ca 0.01 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.28 1joq h VAL 104 Cb 0.21 0.79 0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1joq h VAL 104 CO -0.00 0.00 -0.93 -0.09 0.02 0.00 0.00 177.57 176.57 1joq h ARG 105 N 0.00 0.72 -0.33 1.57 2.43 0.03 -3.00 114.38 115.81 1joq h ARG 105 Ca 0.08 -0.70 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1joq h ARG 105 Cb 0.56 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1joq h ARG 105 CO -0.00 1.29 0.00 1.04 -1.51 0.00 0.00 179.97 180.78 1joq n GLN 106 N -3.88 1.75 -3.74 0.20 3.00 0.31 -4.87 117.38 110.15 1joq n GLN 106 Ca -0.09 -1.16 -0.25 0.00 -0.01 0.00 0.00 57.00 55.49 1joq n GLN 106 Cb 0.83 -1.26 0.04 0.00 0.00 0.00 0.00 30.24 29.85 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1joq n GLY 107 N 1.00 -0.43 0.22 1.08 0.00 -0.31 -4.46 105.19 102.31 1joq n GLY 107 Ca 0.11 0.17 0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 -4.56 1.22 -4.07 0.99 4.77 -0.84 -3.24 117.00 111.26 1joq n LEU 108 Ca -0.11 -0.70 -0.11 0.00 -0.03 0.00 0.00 56.01 55.06 1joq n LEU 108 Cb 0.60 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 1joq n LEU 108 CO 0.70 0.25 -0.39 0.00 -1.33 0.00 0.00 177.39 176.62 1joq s ALA 109 N -1.78 0.59 -0.13 -1.18 0.00 -1.26 -4.26 121.76 113.74 1joq s ALA 109 Ca 0.09 -0.90 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1joq s ALA 109 Cb 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1joq s ALA 109 CO 0.38 -0.11 -0.13 0.15 0.00 0.00 0.00 175.76 176.05 1joq s LYS 110 N -2.20 3.38 0.53 0.00 3.01 -1.00 -4.67 119.74 118.78 1joq s LYS 110 Ca -0.05 -0.69 -0.21 0.00 -1.01 0.00 0.00 55.97 54.01 1joq s LYS 110 Cb -0.05 -2.64 -0.05 0.00 -1.01 0.00 0.00 37.83 34.07 1joq s LYS 110 CO -0.02 0.19 1.22 0.08 0.51 0.00 0.00 175.35 177.34 1joq s VAL 111 N 0.41 2.72 -0.24 3.17 1.01 -1.26 -0.83 120.40 125.38 1joq s VAL 111 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.38 1joq s VAL 111 Cb -0.16 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1joq s VAL 111 CO 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.11 1joq n ALA 112 N -1.02 0.00 -3.25 5.51 0.00 -0.87 -4.83 120.51 116.05 1joq n ALA 112 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1joq n ALA 112 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 20.00 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 0.25 -2.36 -2.97 0.00 4.01 -1.26 -3.80 117.16 111.02 1joq n TYR 113 Ca 0.00 0.86 -0.44 0.00 -0.16 0.00 0.00 57.90 58.16 1joq n TYR 113 Cb 0.00 -4.27 -0.03 0.00 -0.31 0.00 0.00 39.34 34.73 1joq n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1joq s VAL 114 N -3.38 4.70 -0.11 -0.72 1.01 -1.26 -4.49 120.40 116.15 1joq s VAL 114 Ca 0.36 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1joq s VAL 114 Cb -0.05 -4.68 0.02 0.00 0.00 0.00 0.00 36.38 31.67 1joq s VAL 114 CO 0.72 -1.39 -0.14 -0.31 0.00 0.00 0.00 175.10 173.98 1joq s TYR 115 N 2.88 1.91 0.46 5.22 2.02 -1.26 -5.08 117.35 123.50 1joq s TYR 115 Ca 0.25 -0.92 -0.10 0.00 -0.37 0.00 0.00 57.07 55.92 1joq s TYR 115 Cb -0.12 -1.40 -0.06 0.00 -0.40 0.00 0.00 41.96 39.98 1joq s TYR 115 CO -0.01 -0.49 0.83 0.15 -1.57 0.00 0.00 175.55 174.45 1joq s LYS 116 N 1.11 3.74 -0.07 -0.62 1.02 -1.26 -0.12 119.74 123.54 1joq s LYS 116 Ca -0.04 0.51 0.03 0.00 0.02 0.00 0.00 55.97 56.49 1joq s LYS 116 Cb -0.14 -2.32 0.19 0.00 -0.52 0.00 0.00 37.83 35.03 1joq s LYS 116 CO -0.03 -0.16 0.90 -0.35 -0.92 0.00 0.00 175.35 174.79 1joq n PRO 117 N -1.68 1.78 -2.32 -1.68 -0.04 -1.26 -4.98 135.00 124.82 1joq n PRO 117 Ca 0.03 -0.74 -0.43 0.00 -0.04 0.00 0.00 63.50 62.32 1joq n PRO 117 Cb 0.54 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.14 5.03 -1.58 3.54 3.02 0.83 -4.26 115.26 121.98 1joq n ASN 118 Ca 0.08 -3.09 -0.04 0.00 -0.03 0.00 0.00 54.58 51.50 1joq n ASN 118 Cb 0.55 -1.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.25 1joq n ASN 118 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1joq n ASN 119 N 4.02 -0.92 -0.20 6.41 6.94 -1.25 -4.08 115.26 126.19 1joq n ASN 119 Ca 0.40 -1.70 -0.09 0.00 -0.02 0.00 0.00 54.58 53.18 1joq n ASN 119 Cb 0.37 0.36 0.02 0.00 -2.36 0.00 0.00 39.78 38.17 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1joq h THR 120 N 3.41 1.25 -0.77 5.53 2.02 -1.95 -2.44 112.91 119.96 1joq h THR 120 Ca -0.39 -0.94 -0.38 0.00 0.77 0.00 0.00 66.41 65.48 1joq h THR 120 Cb 1.20 0.77 -0.23 0.00 -1.74 0.00 0.00 68.15 68.16 1joq h THR 120 CO -0.18 0.34 0.48 1.41 0.37 0.00 0.00 175.52 177.94 1joq n HIS 121 N -4.36 2.41 0.08 3.16 8.25 -1.26 -4.29 115.22 119.20 1joq n HIS 121 Ca 0.02 -1.49 -0.16 0.00 -0.26 0.00 0.00 57.72 55.83 1joq n HIS 121 Cb 0.25 -0.78 -0.14 0.00 1.12 0.00 0.00 29.99 30.45 1joq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1joq h GLU 122 N 1.05 0.24 -0.61 -0.41 4.22 -1.82 -3.16 114.58 114.10 1joq h GLU 122 Ca 0.47 -0.41 -0.03 0.00 0.08 0.00 0.00 59.36 59.46 1joq h GLU 122 Cb 2.44 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 31.82 1joq h GLU 122 CO 0.85 1.13 0.26 1.96 -2.18 0.00 0.00 179.01 181.02 1joq h GLN 123 N 0.07 0.90 0.42 1.92 7.50 -1.77 -0.78 115.11 123.37 1joq h GLN 123 Ca -0.20 -0.16 -0.02 0.00 0.50 0.00 0.00 58.65 58.78 1joq h GLN 123 Cb 1.99 -0.15 0.00 0.00 0.05 0.00 0.00 27.48 29.38 1joq h GLN 123 CO 0.17 0.76 -0.20 1.25 -1.50 0.00 0.00 178.83 179.30 1joq h LEU 124 N 0.84 -0.48 -2.82 1.46 5.85 -1.86 -2.03 115.31 116.27 1joq h LEU 124 Ca 0.20 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1joq h LEU 124 Cb 0.18 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1joq h LEU 124 CO -0.02 -0.23 0.04 -0.07 -0.34 0.00 0.00 178.44 177.82 1joq h LEU 125 N -0.73 0.00 0.35 2.25 3.38 -1.50 -2.36 115.31 116.71 1joq h LEU 125 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1joq h LEU 125 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1joq h LEU 125 CO 0.10 0.00 -0.17 -0.09 0.09 0.00 0.00 178.44 178.37 1joq h ARG 126 N 0.00 -0.45 -0.79 1.13 2.43 -0.44 -1.04 114.38 115.22 1joq h ARG 126 Ca 0.00 0.03 0.14 0.00 -0.81 0.00 0.00 59.98 59.35 1joq h ARG 126 Cb 0.08 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1joq h ARG 126 CO -0.00 -0.30 0.52 1.57 -1.51 0.00 0.00 179.97 180.25 1joq h LYS 127 N -1.07 0.48 -0.04 0.20 2.10 -1.18 0.25 116.57 117.32 1joq h LYS 127 Ca -0.05 -0.03 -0.13 0.00 -2.00 0.00 0.00 60.65 58.44 1joq h LYS 127 Cb 0.36 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1joq h LYS 127 CO 0.08 0.32 -0.58 0.77 -2.00 0.00 0.00 179.45 178.03 1joq h SER 128 N 0.49 0.14 -0.05 7.07 0.02 -1.46 -2.39 113.55 117.38 1joq h SER 128 Ca 0.39 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 61.12 1joq h SER 128 Cb 0.80 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1joq h SER 128 CO -0.14 0.69 -0.45 -0.08 -1.14 0.00 0.00 176.83 175.71 1joq h GLU 129 N 0.09 0.59 -0.07 3.45 4.57 0.84 -2.43 114.58 121.62 1joq h GLU 129 Ca -0.00 -0.32 -0.14 0.00 -1.18 0.00 0.00 59.36 57.72 1joq h GLU 129 Cb 1.05 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1joq h GLU 129 CO 0.08 0.92 -0.57 0.00 -1.18 0.00 0.00 179.01 178.27 1joq h ALA 130 N 1.03 0.92 -0.40 2.92 0.00 -1.13 -1.89 119.26 120.71 1joq h ALA 130 Ca 0.03 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 1joq h ALA 130 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1joq h ALA 130 CO 0.09 0.70 -0.08 0.37 0.00 0.00 0.00 179.25 180.34 1joq h GLN 131 N 0.16 0.76 -0.09 0.00 4.15 -1.22 -2.52 115.11 116.35 1joq h GLN 131 Ca -0.00 -0.28 -0.10 0.00 0.77 0.00 0.00 58.65 59.03 1joq h GLN 131 Cb 1.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.67 1joq h GLN 131 CO 0.09 0.89 -0.40 0.00 -1.93 0.00 0.00 178.83 177.47 1joq h ALA 132 N 0.85 1.16 0.75 3.38 0.00 -1.33 0.07 119.26 124.14 1joq h ALA 132 Ca 0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1joq h ALA 132 Cb 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1joq h ALA 132 CO 0.04 0.57 -0.36 0.87 0.00 0.00 0.00 179.25 180.36 1joq h LYS 133 N 0.16 -0.97 0.00 0.00 1.57 -1.04 -0.49 116.57 115.80 1joq h LYS 133 Ca 0.02 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1joq h LYS 133 Cb 0.78 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1joq h LYS 133 CO 0.06 -0.63 0.00 1.57 -0.57 0.00 0.00 179.45 179.88 1joq h LYS 134 N -1.08 0.00 0.00 3.15 5.09 -1.44 -2.37 116.57 119.92 1joq h LYS 134 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.64 1joq h LYS 134 Cb 0.79 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.12 1joq h LYS 134 CO 0.17 0.00 0.00 0.93 -2.09 0.00 0.00 179.45 178.46 1joq h GLU 135 N 0.00 0.00 -5.58 0.07 5.08 -0.56 -3.48 114.58 110.12 1joq h GLU 135 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 1joq h GLU 135 Cb 0.52 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.95 1joq h GLU 135 CO 0.00 0.00 -0.86 1.63 -1.00 0.00 0.00 179.01 178.78 1joq n LYS 136 N -2.52 -2.69 -3.15 2.33 5.02 -0.23 -4.89 118.16 112.03 1joq n LYS 136 Ca 0.05 0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 56.72 1joq n LYS 136 Cb 0.45 -5.62 -0.07 0.00 -0.02 0.00 0.00 35.03 29.77 1joq n LYS 136 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1joq s LEU 137 N -5.66 4.63 0.00 -0.35 1.98 -1.17 -3.57 118.68 114.54 1joq s LEU 137 Ca 0.40 -0.49 0.00 0.00 -2.89 0.00 0.00 54.13 51.15 1joq s LEU 137 Cb -0.06 -2.63 0.00 0.00 0.66 0.00 0.00 46.19 44.16 1joq s LEU 137 CO 0.76 -0.77 0.00 0.59 -1.89 0.00 0.00 176.35 175.03 1joq n ASN 138 N 6.16 0.00 0.00 3.68 3.02 -1.26 -2.52 115.26 124.35 1joq n ASN 138 Ca -0.03 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.50 1joq n ASN 138 Cb 0.47 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.63 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1joq h ILE 139 N 0.00 0.00 0.00 2.41 2.04 -1.85 0.95 117.51 121.06 1joq h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1joq h ILE 139 Cb 0.00 0.00 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 -2.88 0.00 -2.46 1.37 7.02 -1.05 -4.37 117.44 115.07 1joq n TRP 140 Ca -0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.08 1joq n TRP 140 Cb 0.05 -0.46 -0.03 0.00 -2.42 0.00 0.00 31.31 28.44 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq s SER 141 N -2.92 6.16 1.24 -0.99 0.15 0.33 -4.37 113.70 113.30 1joq s SER 141 Ca 0.04 -0.97 -0.14 0.00 0.70 0.00 0.00 55.95 55.58 1joq s SER 141 Cb 0.04 -2.56 0.21 0.00 -1.71 0.00 0.00 66.02 62.00 1joq s SER 141 CO 0.11 -1.81 0.57 -1.84 1.20 0.00 0.00 173.24 171.48 1joq n GLU 142 N 9.04 -3.18 0.00 5.44 0.28 -1.26 -4.75 120.64 126.20 1joq n GLU 142 Ca 0.25 -0.94 0.00 0.00 -0.16 0.00 0.00 57.16 56.31 1joq n GLU 142 Cb 0.50 -1.07 0.00 0.00 1.43 0.00 0.00 31.44 32.30 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1joq n ASP 143 N -4.47 0.33 -3.55 -1.84 2.03 -1.26 -5.08 116.55 102.71 1joq n ASP 143 Ca 0.09 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.11 1joq n ASP 143 Cb 0.36 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.63 1joq n ASP 143 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1joq s ASN 144 N 0.03 3.02 -0.82 1.67 2.47 -1.26 -5.06 114.94 114.99 1joq s ASN 144 Ca 0.00 -2.50 -0.22 0.00 0.42 0.00 0.00 52.86 50.56 1joq s ASN 144 Cb 0.00 -0.64 0.09 0.00 -1.45 0.00 0.00 41.25 39.24 1joq s ASN 144 CO 0.00 -0.27 1.13 0.00 -3.72 0.00 0.00 177.10 174.24 1joq s ALA 145 N 0.62 3.11 0.20 1.71 0.00 -1.26 -4.83 121.76 121.31 1joq s ALA 145 Ca 0.20 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.95 1joq s ALA 145 Cb -0.19 -4.07 0.15 0.00 0.00 0.00 0.00 23.12 19.01 1joq s ALA 145 CO -0.03 -3.03 1.50 0.38 0.00 0.00 0.00 175.76 174.58 1joq h ASP 146 N 9.37 0.43 0.00 0.00 2.03 -2.06 -3.46 116.42 122.73 1joq h ASP 146 Ca -0.04 -0.25 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 1joq h ASP 146 Cb 1.04 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 39.42 1joq h ASP 146 CO 1.20 0.95 0.00 -1.20 -1.03 0.00 0.00 179.24 179.16 1joq n SER 147 N -3.88 0.00 0.00 4.15 7.64 -1.26 -4.58 113.62 115.69 1joq n SER 147 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1joq n SER 147 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.00 1.50 0.56 0.23 0.00 -1.26 -5.33 105.19 100.90 1joq n GLY 148 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14