#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 -1.35 0.00 -1.04 -1.26 -5.07 114.28 105.56 1joq n THR 2 Ca 0.00 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.04 1joq n THR 2 Cb 0.00 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 68.55 1joq n THR 2 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1joq n SER 3 N 0.00 0.91 -1.49 8.00 3.41 -1.26 -5.08 113.62 118.11 1joq n SER 3 Ca 0.00 -2.16 -0.00 0.00 -0.26 0.00 0.00 58.87 56.44 1joq n SER 3 Cb 0.00 -0.21 -0.00 0.00 -0.26 0.00 0.00 64.21 63.73 1joq n SER 3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1joq n THR 4 N -0.48 -5.49 -2.72 6.66 -1.04 -1.26 -4.87 114.28 105.08 1joq n THR 4 Ca 0.05 0.91 -0.03 0.00 -2.04 0.00 0.00 64.05 62.93 1joq n THR 4 Cb 0.60 -4.02 -0.03 0.00 -1.82 0.00 0.00 70.33 65.07 1joq n THR 4 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1joq n LYS 5 N 0.53 -3.45 -0.19 -2.82 4.01 -1.26 -4.90 118.16 110.07 1joq n LYS 5 Ca -0.03 2.67 0.06 0.00 -0.51 0.00 0.00 58.31 60.50 1joq n LYS 5 Cb 0.04 -3.53 0.16 0.00 -0.51 0.00 0.00 35.03 31.19 1joq n LYS 5 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1joq n LYS 6 N 2.01 2.88 0.00 1.97 4.76 -1.26 -4.99 118.16 123.52 1joq n LYS 6 Ca -0.25 -2.10 0.00 0.00 -2.87 0.00 0.00 58.31 53.09 1joq n LYS 6 Cb 0.39 -1.30 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 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 0.52 0.00 -3.80 -0.35 4.77 -1.26 -5.05 117.00 111.83 1joq n LEU 7 Ca 0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.83 1joq n LEU 7 Cb 0.45 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.37 1joq n LEU 7 CO 0.08 0.00 -0.39 -2.28 -1.33 0.00 0.00 177.39 173.48 1joq s HIS 8 N 0.92 1.34 -0.12 -1.77 5.65 -1.26 -5.11 115.29 114.94 1joq s HIS 8 Ca 0.00 -0.97 -0.27 0.00 0.25 0.00 0.00 55.06 54.07 1joq s HIS 8 Cb 0.00 -1.15 -0.02 0.00 -1.18 0.00 0.00 32.58 30.23 1joq s HIS 8 CO 0.00 -0.61 0.89 0.15 -0.65 0.00 0.00 174.74 174.52 1joq s LYS 9 N 1.75 4.38 0.22 2.88 1.02 -1.26 -4.55 119.74 124.18 1joq s LYS 9 Ca -0.01 1.16 0.10 0.00 0.02 0.00 0.00 55.97 57.25 1joq s LYS 9 Cb -0.16 -3.54 -0.05 0.00 -0.52 0.00 0.00 37.83 33.56 1joq s LYS 9 CO -0.07 -0.25 -0.20 -1.21 -0.92 0.00 0.00 175.35 172.70 1joq s GLU 10 N 1.82 1.48 0.82 1.68 0.41 -0.71 -4.94 118.70 119.27 1joq s GLU 10 Ca 0.43 -1.59 -0.12 0.00 -0.41 0.00 0.00 54.97 53.28 1joq s GLU 10 Cb -0.18 -1.58 0.09 0.00 -1.78 0.00 0.00 34.13 30.68 1joq s GLU 10 CO 0.16 0.31 1.10 -1.25 -0.49 0.00 0.00 175.26 175.10 1joq s PRO 11 N -3.15 1.87 0.00 0.39 0.04 -1.26 -0.31 135.00 132.58 1joq s PRO 11 Ca 0.23 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1joq s PRO 11 Cb -0.05 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.59 1joq s PRO 11 CO 0.10 -1.76 0.00 0.00 0.04 0.00 0.00 177.00 175.38 1joq n ALA 12 N -3.52 0.00 -3.79 8.56 0.00 -0.10 -4.67 120.51 116.98 1joq n ALA 12 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 1joq n ALA 12 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.23 1.08 -0.66 0.00 2.01 -0.60 -4.79 115.64 110.45 1joq s THR 13 Ca 0.00 -1.41 -0.27 0.00 0.31 0.00 0.00 61.69 60.32 1joq s THR 13 Cb 0.00 -1.74 -0.12 0.00 0.01 0.00 0.00 72.50 70.65 1joq s THR 13 CO 0.00 -0.55 2.49 -0.11 -0.69 0.00 0.00 174.62 175.76 1joq n LEU 14 N 4.78 1.64 -0.03 4.42 7.94 -1.26 -1.22 117.00 133.27 1joq n LEU 14 Ca -0.03 -0.37 -0.01 0.00 -1.11 0.00 0.00 56.01 54.49 1joq n LEU 14 Cb 0.43 -1.38 -0.00 0.00 0.53 0.00 0.00 43.42 42.99 1joq n LEU 14 CO 0.13 -1.39 -0.10 0.40 -1.11 0.00 0.00 177.39 175.33 1joq h ILE 15 N 7.78 0.00 -0.94 1.96 2.04 -1.45 -3.48 117.51 123.40 1joq h ILE 15 Ca -0.17 -0.51 0.10 0.00 1.00 0.00 0.00 64.86 65.28 1joq h ILE 15 Cb 1.27 0.00 -0.21 0.00 -0.74 0.00 0.00 36.82 37.14 1joq h ILE 15 CO 1.23 0.00 -0.24 -0.75 0.00 0.00 0.00 178.15 178.39 1joq s LYS 16 N -1.47 0.54 0.67 2.37 2.36 -0.93 -5.01 119.74 118.26 1joq s LYS 16 Ca -0.04 0.95 -0.16 0.00 -2.55 0.00 0.00 55.97 54.16 1joq s LYS 16 Cb 0.01 0.52 0.00 0.00 -1.05 0.00 0.00 37.83 37.31 1joq s LYS 16 CO 0.06 -0.59 1.18 0.00 1.55 0.00 0.00 175.35 177.55 1joq s ALA 17 N 2.87 2.35 0.03 3.13 0.00 -1.26 -1.91 121.76 126.96 1joq s ALA 17 Ca 0.19 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 52.98 1joq s ALA 17 Cb -0.15 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.54 1joq s ALA 17 CO -0.20 -1.48 -0.03 -0.89 0.00 0.00 0.00 175.76 173.16 1joq n ILE 18 N -2.25 0.67 -3.03 0.00 5.41 -0.99 -4.81 119.36 114.36 1joq n ILE 18 Ca 0.13 0.23 0.00 0.00 1.00 0.00 0.00 62.75 64.11 1joq n ILE 18 Cb 0.50 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.03 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 1.94 0.07 4.38 8.00 -0.61 -5.00 116.55 122.24 1joq n ASP 19 Ca -0.01 -0.06 -0.17 0.00 0.71 0.00 0.00 54.79 55.27 1joq n ASP 19 Cb 0.04 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.00 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 0.30 -2.47 0.44 0.00 -1.73 -3.32 103.07 96.29 1joq h GLY 20 Ca 0.00 -0.77 -0.17 0.00 0.00 0.00 0.00 47.33 46.39 1joq h GLY 20 CO 0.00 0.67 0.10 1.22 0.00 0.00 0.00 176.54 178.53 1joq n ASP 21 N -3.48 3.54 -3.71 0.19 9.92 -1.26 -4.59 116.55 117.16 1joq n ASP 21 Ca -0.15 -3.42 -0.12 0.00 -0.53 0.00 0.00 54.79 50.58 1joq n ASP 21 Cb 1.04 -0.66 -0.10 0.00 -0.64 0.00 0.00 41.12 40.76 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 -3.08 -0.01 -0.01 -3.53 2.01 -1.25 -1.38 115.64 108.39 1joq s THR 22 Ca 0.48 0.03 -0.25 0.00 0.31 0.00 0.00 61.69 62.26 1joq s THR 22 Cb 0.40 -0.62 0.05 0.00 0.01 0.00 0.00 72.50 72.35 1joq s THR 22 CO 0.07 0.01 0.55 0.68 -0.69 0.00 0.00 174.62 175.24 1joq s VAL 23 N 0.70 0.02 -0.23 3.82 -7.23 -0.96 -1.58 120.40 114.94 1joq s VAL 23 Ca -0.04 -0.18 -0.11 0.00 -1.81 0.00 0.00 61.98 59.84 1joq s VAL 23 Cb -0.05 -0.90 -0.05 0.00 0.56 0.00 0.00 36.38 35.94 1joq s VAL 23 CO -0.05 -0.10 0.19 -0.54 -0.31 0.00 0.00 175.10 174.30 1joq s LYS 24 N -1.60 4.10 0.09 4.82 1.02 -0.80 -1.33 119.74 126.03 1joq s LYS 24 Ca -0.10 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.70 1joq s LYS 24 Cb -0.01 -3.53 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1joq s LYS 24 CO 0.05 0.07 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.02 1joq s LEU 25 N 1.02 2.36 -0.09 3.17 1.43 -0.96 -1.11 118.68 124.50 1joq s LEU 25 Ca 0.09 -1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 1joq s LEU 25 Cb -0.13 0.09 -0.05 0.00 0.03 0.00 0.00 46.19 46.13 1joq s LEU 25 CO 0.04 -0.57 0.23 -0.32 0.23 0.00 0.00 176.35 175.97 1joq s MET 26 N -3.91 3.67 -0.15 1.70 1.75 -0.36 -2.17 119.30 119.84 1joq s MET 26 Ca 0.13 0.05 -0.02 0.00 -1.25 0.00 0.00 55.69 54.60 1joq s MET 26 Cb 0.07 -3.22 0.04 0.00 2.84 0.00 0.00 34.83 34.56 1joq s MET 26 CO -0.05 0.70 -0.00 -0.47 -0.65 0.00 0.00 175.02 174.55 1joq s TYR 27 N -0.90 1.12 -1.50 4.11 5.04 -0.56 -1.56 117.35 123.10 1joq s TYR 27 Ca 0.18 -0.70 -0.15 0.00 -2.44 0.00 0.00 57.07 53.95 1joq s TYR 27 Cb -0.13 -1.04 0.13 0.00 0.35 0.00 0.00 41.96 41.26 1joq s TYR 27 CO 0.07 -0.52 0.64 1.63 -1.34 0.00 0.00 175.55 176.03 1joq n LYS 28 N 5.03 -3.00 -2.31 4.97 5.02 -1.26 0.41 118.16 127.02 1joq n LYS 28 Ca -0.09 0.36 -0.01 0.00 -2.02 0.00 0.00 58.31 56.55 1joq n LYS 28 Cb 0.48 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 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 -1.24 0.62 2.53 0.72 0.00 -1.26 -5.02 105.19 101.53 1joq n GLY 29 Ca 0.05 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 -4.59 0.44 -0.12 1.61 2.00 0.17 -5.11 119.66 114.05 1joq s GLN 30 Ca 0.02 -1.00 -0.29 0.00 -2.00 0.00 0.00 55.36 52.08 1joq s GLN 30 Cb -0.01 -1.17 -0.02 0.00 0.80 0.00 0.00 33.01 32.61 1joq s GLN 30 CO 0.02 -1.15 1.25 -1.25 -0.50 0.00 0.00 175.29 173.66 1joq s PRO 31 N 1.45 4.28 0.36 1.67 0.04 -1.26 -1.49 135.00 140.04 1joq s PRO 31 Ca 0.15 1.68 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1joq s PRO 31 Cb -0.20 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.66 1joq s PRO 31 CO -0.11 -0.61 0.48 -1.33 0.04 0.00 0.00 177.00 175.46 1joq n MET 32 N 6.08 0.69 -3.73 4.56 2.81 -0.92 -4.98 117.12 121.63 1joq n MET 32 Ca 0.13 -2.92 -0.38 0.00 -1.81 0.00 0.00 57.70 52.72 1joq n MET 32 Cb 0.45 2.76 -0.12 0.00 -0.71 0.00 0.00 33.22 35.61 1joq n MET 32 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1joq s THR 33 N -2.88 3.83 0.32 2.03 -1.32 -1.26 -2.27 115.64 114.08 1joq s THR 33 Ca 0.31 -1.24 -0.18 0.00 -1.21 0.00 0.00 61.69 59.38 1joq s THR 33 Cb -0.01 -3.23 -0.09 0.00 -1.51 0.00 0.00 72.50 67.66 1joq s THR 33 CO 0.22 -0.27 0.78 -0.36 -2.21 0.00 0.00 174.62 172.79 1joq s PHE 34 N 1.39 3.44 -0.14 9.09 0.40 -0.45 -2.00 117.98 129.71 1joq s PHE 34 Ca -0.00 1.36 0.00 0.00 -0.60 0.00 0.00 56.93 57.69 1joq s PHE 34 Cb -0.20 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 40.72 1joq s PHE 34 CO 0.02 0.12 -0.12 0.50 0.70 0.00 0.00 175.22 176.44 1joq s ARG 35 N -2.74 2.06 -0.06 0.44 6.06 -0.93 -2.27 118.95 121.52 1joq s ARG 35 Ca 0.53 -0.50 -0.40 0.00 -2.50 0.00 0.00 55.73 52.86 1joq s ARG 35 Cb -0.12 -1.99 -0.18 0.00 0.06 0.00 0.00 34.95 32.71 1joq s ARG 35 CO 0.18 -0.26 1.30 1.28 -2.50 0.00 0.00 175.30 175.30 1joq n LEU 36 N 4.81 0.99 -4.88 -0.88 4.77 -0.48 -4.31 117.00 117.02 1joq n LEU 36 Ca -0.16 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.66 1joq n LEU 36 Cb 0.50 -1.04 -0.04 0.00 -2.33 0.00 0.00 43.42 40.51 1joq n LEU 36 CO 0.20 -1.32 0.29 -0.76 -1.33 0.00 0.00 177.39 174.48 1joq s LEU 37 N 0.90 4.02 0.00 2.23 1.43 -1.26 -3.91 118.68 122.09 1joq s LEU 37 Ca 0.91 0.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 1joq s LEU 37 Cb -1.16 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 41.31 1joq s LEU 37 CO 0.57 -0.23 0.00 0.18 0.23 0.00 0.00 176.35 177.10 1joq n LEU 38 N -0.82 0.61 -4.04 1.79 4.77 -1.24 -4.95 117.00 113.11 1joq n LEU 38 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 1joq n LEU 38 Cb 0.54 -1.47 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 1joq n LEU 38 CO 0.47 -0.51 -0.41 0.68 -1.33 0.00 0.00 177.39 176.28 1joq s VAL 39 N -1.63 0.56 -0.07 4.08 -7.23 -1.23 -2.00 120.40 112.89 1joq s VAL 39 Ca 0.00 -0.86 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1joq s VAL 39 Cb 0.00 -0.58 0.02 0.00 0.56 0.00 0.00 36.38 36.37 1joq s VAL 39 CO 0.00 -0.22 -0.11 -0.62 -0.31 0.00 0.00 175.10 173.84 1joq s ASP 40 N -1.18 1.68 0.45 4.85 -1.08 -0.08 -4.64 116.67 116.68 1joq s ASP 40 Ca -0.06 -0.27 -0.24 0.00 -0.52 0.00 0.00 52.55 51.46 1joq s ASP 40 Cb -0.08 -0.77 -0.08 0.00 -1.46 0.00 0.00 42.92 40.54 1joq s ASP 40 CO 0.00 0.00 1.29 0.28 0.52 0.00 0.00 175.17 177.26 1joq s THR 41 N 0.81 2.60 -0.05 1.71 -1.32 -1.26 -2.14 115.64 115.98 1joq s THR 41 Ca -0.12 0.49 -0.11 0.00 -1.21 0.00 0.00 61.69 60.74 1joq s THR 41 Cb -0.15 -3.27 -0.06 0.00 -1.51 0.00 0.00 72.50 67.50 1joq s THR 41 CO 0.02 0.04 0.47 1.55 -2.21 0.00 0.00 174.62 174.49 1joq h PRO 42 N 2.25 -0.39 -1.59 7.08 0.13 -1.93 -3.47 132.00 134.08 1joq h PRO 42 Ca -0.50 0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 1joq h PRO 42 Cb 1.26 0.09 -0.24 0.00 0.13 0.00 0.00 31.00 32.24 1joq h PRO 42 CO 0.61 -0.25 0.50 -2.00 -0.23 0.00 0.00 178.00 176.63 1joq s GLU 43 N -2.88 0.58 -0.03 0.86 2.12 -1.26 -5.06 118.70 113.03 1joq s GLU 43 Ca -0.06 0.30 0.01 0.00 0.36 0.00 0.00 54.97 55.58 1joq s GLU 43 Cb 0.01 0.28 0.03 0.00 0.26 0.00 0.00 34.13 34.71 1joq s GLU 43 CO 0.18 -0.15 0.45 -2.37 -0.54 0.00 0.00 175.26 172.84 1joq n THR 44 N 1.24 0.00 0.19 -1.70 5.66 -1.26 -4.25 114.28 114.17 1joq n THR 44 Ca -0.11 -0.08 0.06 0.00 -3.05 0.00 0.00 64.05 60.86 1joq n THR 44 Cb 0.57 0.29 0.37 0.00 -1.55 0.00 0.00 70.33 70.01 1joq n THR 44 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1joq h LYS 45 N 0.08 0.00 -7.23 1.09 1.57 -1.97 -3.44 116.57 106.67 1joq h LYS 45 Ca -0.17 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.11 1joq h LYS 45 Cb 0.87 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.27 1joq h LYS 45 CO -0.08 0.36 0.37 -1.01 -0.57 0.00 0.00 179.45 178.51 1joq s HIS 46 N -3.74 2.89 0.00 -1.35 3.76 -1.26 -5.02 115.29 110.56 1joq s HIS 46 Ca -0.01 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.41 1joq s HIS 46 Cb 0.12 -3.03 0.00 0.00 1.11 0.00 0.00 32.58 30.78 1joq s HIS 46 CO 0.68 -1.34 0.02 -0.35 -0.85 0.00 0.00 174.74 172.90 1joq n PRO 47 N -2.47 0.00 -0.01 8.40 -0.04 -1.26 -4.79 135.00 134.82 1joq n PRO 47 Ca 0.09 0.04 -0.02 0.00 -0.04 0.00 0.00 63.50 63.57 1joq n PRO 47 Cb 0.53 -0.55 -0.01 0.00 -0.04 0.00 0.00 33.50 33.42 1joq n PRO 47 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1joq n LYS 48 N -0.62 0.06 -0.01 0.54 0.00 -1.26 -4.78 118.16 112.10 1joq n LYS 48 Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 58.31 58.23 1joq n LYS 48 Cb 0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 35.03 34.06 1joq n LYS 48 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1joq h LYS 49 N -0.04 -0.37 0.00 1.64 3.64 -2.02 -3.47 116.57 115.95 1joq h LYS 49 Ca -0.06 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1joq h LYS 49 Cb 1.08 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1joq h LYS 49 CO -0.02 -0.25 0.00 0.41 -2.27 0.00 0.00 179.45 177.32 1joq n GLY 50 N -1.29 -0.72 0.00 5.01 0.00 -1.26 -4.86 105.19 102.07 1joq n GLY 50 Ca -0.04 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.70 0.00 -0.01 1.61 0.31 -1.26 -4.98 118.33 113.30 1joq n VAL 51 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.40 1joq n VAL 51 Cb 0.00 -0.22 -0.12 0.00 -0.91 0.00 0.00 33.84 32.59 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 0.00 0.57 0.00 5.55 -0.58 -1.26 -4.66 120.64 120.26 1joq n GLU 52 Ca 0.00 -0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1joq n GLU 52 Cb 0.00 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1joq n GLU 52 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1joq n LYS 53 N -2.10 0.00 -2.70 3.49 4.01 -1.26 -4.89 118.16 114.71 1joq n LYS 53 Ca -0.05 0.00 -0.06 0.00 -0.51 0.00 0.00 58.31 57.69 1joq n LYS 53 Cb 0.46 -0.24 0.09 0.00 -0.51 0.00 0.00 35.03 34.83 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 -0.09 -1.04 0.00 2.13 4.01 -1.26 -5.01 117.16 115.90 1joq n TYR 54 Ca 0.00 -2.17 0.00 0.00 -0.16 0.00 0.00 57.90 55.57 1joq n TYR 54 Cb 0.00 0.86 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 -0.56 -2.93 2.53 2.72 0.00 -1.26 -3.43 105.19 102.26 1joq n GLY 55 Ca -0.01 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1joq n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1joq n PRO 56 N -1.31 3.34 0.04 1.61 -0.04 -1.26 -4.21 135.00 133.17 1joq n PRO 56 Ca 0.00 -2.48 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 1joq n PRO 56 Cb 0.00 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.43 1joq n PRO 56 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1joq n GLU 57 N 4.70 0.00 -0.03 0.54 4.07 -1.22 -4.63 120.64 124.06 1joq n GLU 57 Ca 0.64 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.59 1joq n GLU 57 Cb 0.31 -0.19 -0.04 0.00 -0.06 0.00 0.00 31.44 31.46 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1joq h ALA 58 N 0.00 0.42 0.52 4.31 0.00 -1.78 -1.38 119.26 121.35 1joq h ALA 58 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 1joq h ALA 58 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1joq h ALA 58 CO 0.00 0.69 -0.31 0.66 0.00 0.00 0.00 179.25 180.29 1joq h SER 59 N 0.56 -0.76 0.13 0.00 4.64 -1.83 -1.96 113.55 114.33 1joq h SER 59 Ca -0.02 0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1joq h SER 59 Cb 1.29 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 1joq h SER 59 CO 0.14 -0.49 -0.14 0.00 -0.87 0.00 0.00 176.83 175.47 1joq h ALA 60 N -0.34 1.74 -1.48 5.18 0.00 -1.82 -1.92 119.26 120.62 1joq h ALA 60 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1joq h ALA 60 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1joq h ALA 60 CO 0.07 0.20 0.00 0.34 0.00 0.00 0.00 179.25 179.86 1joq n PHE 61 N -4.36 0.00 0.28 0.00 -0.00 -0.52 -1.82 117.46 111.04 1joq n PHE 61 Ca -0.02 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.60 1joq n PHE 61 Cb 0.22 -0.25 0.86 0.00 -0.00 0.00 0.00 39.48 40.31 1joq n PHE 61 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1joq h THR 62 N 0.00 0.12 0.40 -2.13 2.02 -1.47 -1.67 112.91 110.18 1joq h THR 62 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1joq h THR 62 Cb 0.00 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1joq h THR 62 CO 0.00 0.00 -0.25 0.50 0.37 0.00 0.00 175.52 176.14 1joq h LYS 63 N 0.00 -0.59 0.00 6.66 3.64 -0.56 -2.02 116.57 123.71 1joq h LYS 63 Ca 0.04 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1joq h LYS 63 Cb 0.62 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1joq h LYS 63 CO -0.00 -0.39 -0.26 0.87 -2.27 0.00 0.00 179.45 177.40 1joq h LYS 64 N -0.61 0.00 0.00 1.90 1.57 -0.99 -2.07 116.57 116.37 1joq h LYS 64 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1joq h LYS 64 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1joq h LYS 64 CO 0.05 0.26 0.00 -0.12 -0.57 0.00 0.00 179.45 179.08 1joq n MET 65 N -3.63 0.00 0.23 3.15 1.56 -0.67 -1.11 117.12 116.66 1joq n MET 65 Ca -0.01 0.47 0.08 0.00 -0.27 0.00 0.00 57.70 57.96 1joq n MET 65 Cb 0.39 -1.42 0.57 0.00 2.15 0.00 0.00 33.22 34.91 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 0.96 -0.27 1.12 -1.51 -1.46 0.31 116.25 115.40 1joq h VAL 66 Ca 0.00 -0.62 -0.05 0.00 -1.23 0.00 0.00 66.70 64.80 1joq h VAL 66 Cb 0.00 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.50 1joq h VAL 66 CO 0.00 0.17 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.12 1joq h GLU 67 N 0.00 0.42 -0.02 5.19 5.08 -1.25 -2.82 114.58 121.18 1joq h GLU 67 Ca -0.00 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1joq h GLU 67 Cb 0.34 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1joq h GLU 67 CO 0.02 0.49 0.00 0.09 -1.00 0.00 0.00 179.01 178.62 1joq n ASN 68 N -4.27 2.08 -4.76 1.42 3.02 -0.27 -5.00 115.26 107.47 1joq n ASN 68 Ca 0.01 -1.54 -0.39 0.00 -0.03 0.00 0.00 54.58 52.62 1joq n ASN 68 Cb 0.26 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 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 -1.07 3.16 -0.09 5.41 0.00 0.10 -4.93 121.76 124.34 1joq s ALA 69 Ca 0.15 1.40 -0.27 0.00 0.00 0.00 0.00 51.96 53.24 1joq s ALA 69 Cb 0.11 -3.57 -0.23 0.00 0.00 0.00 0.00 23.12 19.43 1joq s ALA 69 CO 0.16 -1.17 0.97 0.87 0.00 0.00 0.00 175.76 176.59 1joq h LYS 70 N 2.20 -0.01 -3.71 0.00 1.79 -1.89 -3.45 116.57 111.50 1joq h LYS 70 Ca -0.51 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 57.57 1joq h LYS 70 Cb 1.27 0.00 -0.36 0.00 -1.58 0.00 0.00 32.23 31.56 1joq h LYS 70 CO 0.61 0.76 -0.76 0.15 -1.08 0.00 0.00 179.45 179.13 1joq s LYS 71 N -3.09 0.46 -0.34 3.15 1.02 -1.26 -5.00 119.74 114.68 1joq s LYS 71 Ca -0.17 0.10 -0.15 0.00 0.02 0.00 0.00 55.97 55.76 1joq s LYS 71 Cb -0.01 -0.73 -0.01 0.00 -0.52 0.00 0.00 37.83 36.56 1joq s LYS 71 CO 0.67 -0.21 0.37 0.42 -0.92 0.00 0.00 175.35 175.68 1joq s ILE 72 N 1.51 5.16 -0.09 2.17 1.09 -1.26 -3.88 121.20 125.89 1joq s ILE 72 Ca -0.03 0.08 0.03 0.00 -1.10 0.00 0.00 60.65 59.64 1joq s ILE 72 Cb -0.13 -3.83 0.00 0.00 -1.06 0.00 0.00 42.46 37.45 1joq s ILE 72 CO -0.03 -0.09 -0.20 -1.61 -0.10 0.00 0.00 174.94 172.90 1joq s GLU 73 N 2.04 2.63 0.38 2.79 2.02 -1.00 -0.92 118.70 126.64 1joq s GLU 73 Ca 0.12 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1joq s GLU 73 Cb -0.16 -2.02 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 1joq s GLU 73 CO 0.12 0.13 0.57 0.14 0.02 0.00 0.00 175.26 176.24 1joq s VAL 74 N 0.44 4.49 -0.35 2.63 -7.23 0.58 -1.43 120.40 119.53 1joq s VAL 74 Ca -0.18 -0.61 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1joq s VAL 74 Cb -0.17 -3.63 0.14 0.00 0.56 0.00 0.00 36.38 33.28 1joq s VAL 74 CO 0.07 -0.38 0.24 -0.70 -0.31 0.00 0.00 175.10 174.02 1joq s GLU 75 N -4.36 0.54 0.24 4.82 2.12 -0.20 -1.73 118.70 120.12 1joq s GLU 75 Ca 0.44 -1.20 -0.31 0.00 0.36 0.00 0.00 54.97 54.26 1joq s GLU 75 Cb -0.10 -1.18 -0.13 0.00 0.26 0.00 0.00 34.13 32.99 1joq s GLU 75 CO 0.35 -1.20 1.57 1.19 -0.54 0.00 0.00 175.26 176.64 1joq n PHE 76 N 4.15 2.55 -0.63 5.30 3.72 -1.26 -2.32 117.46 128.97 1joq n PHE 76 Ca 0.11 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 1joq n PHE 76 Cb 0.39 -2.57 0.00 0.00 -0.94 0.00 0.00 39.48 36.36 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1joq n ASP 77 N 2.79 -0.49 -0.48 4.37 2.03 -1.26 -4.72 116.55 118.80 1joq n ASP 77 Ca 0.13 -0.63 0.11 0.00 0.52 0.00 0.00 54.79 54.91 1joq n ASP 77 Cb 0.33 0.00 0.41 0.00 -0.72 0.00 0.00 41.12 41.14 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 -1.12 1.63 -0.19 -0.67 0.00 -1.26 -4.87 118.16 111.69 1joq n LYS 78 Ca 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 58.31 57.37 1joq n LYS 78 Cb 0.00 -1.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.64 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 1.09 0.90 3.20 2.58 0.00 -1.26 -4.89 105.19 106.81 1joq n GLY 79 Ca 0.16 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.30 -2.19 -0.01 1.61 3.00 -1.26 -4.92 117.38 113.32 1joq n GLN 80 Ca 0.00 -0.63 0.10 0.00 -0.01 0.00 0.00 57.00 56.45 1joq n GLN 80 Cb 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 30.24 28.42 1joq n GLN 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1joq n ARG 81 N -2.49 0.62 -3.44 -1.09 0.63 -1.26 -4.75 116.66 104.88 1joq n ARG 81 Ca 0.03 -0.13 -0.12 0.00 -0.92 0.00 0.00 57.85 56.71 1joq n ARG 81 Cb 0.54 -1.45 -0.03 0.00 0.45 0.00 0.00 32.46 31.97 1joq n ARG 81 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1joq n THR 82 N -1.98 0.00 -3.24 5.15 -2.24 -1.26 -1.71 114.28 109.00 1joq n THR 82 Ca -0.02 -1.45 0.00 0.00 -2.27 0.00 0.00 64.05 60.31 1joq n THR 82 Cb 0.45 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1joq n THR 82 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1joq n ASP 83 N -1.82 1.35 0.00 3.42 5.68 -0.72 -4.79 116.55 119.66 1joq n ASP 83 Ca 0.02 -0.57 0.07 0.00 -0.50 0.00 0.00 54.79 53.81 1joq n ASP 83 Cb 0.44 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.72 1joq n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1joq n LYS 84 N -0.19 0.03 -0.07 0.11 2.85 -1.26 -1.94 118.16 117.69 1joq n LYS 84 Ca 0.00 0.25 0.09 0.00 -1.05 0.00 0.00 58.31 57.60 1joq n LYS 84 Cb 0.00 -1.50 0.12 0.00 -0.65 0.00 0.00 35.03 33.00 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 -1.47 0.19 -0.18 5.58 4.01 -1.26 -4.94 117.16 119.10 1joq n TYR 85 Ca 0.04 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1joq n TYR 85 Cb 0.15 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1joq n GLY 86 N 1.08 1.91 3.71 2.72 0.00 -0.82 -5.01 105.19 108.78 1joq n GLY 86 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1joq n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1joq n ARG 87 N -2.00 0.87 -3.20 1.61 1.74 -1.26 -4.61 116.66 109.81 1joq n ARG 87 Ca 0.00 0.36 -0.39 0.00 -0.77 0.00 0.00 57.85 57.05 1joq n ARG 87 Cb 0.00 -2.48 -0.06 0.00 -1.02 0.00 0.00 32.46 28.90 1joq n ARG 87 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1joq s GLY 88 N -1.55 2.29 -0.28 -0.13 0.00 -0.85 -1.76 107.32 105.04 1joq s GLY 88 Ca 0.80 -0.18 -0.11 0.00 0.00 0.00 0.00 44.72 45.23 1joq s GLY 88 CO 0.43 1.05 0.18 1.08 0.00 0.00 0.00 173.10 175.85 1joq s LEU 89 N 1.19 4.00 0.09 0.66 1.43 -0.69 -2.18 118.68 123.17 1joq s LEU 89 Ca 0.29 -0.04 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 1joq s LEU 89 Cb -0.16 -2.11 0.09 0.00 0.03 0.00 0.00 46.19 44.04 1joq s LEU 89 CO 0.12 -0.06 1.10 0.00 0.23 0.00 0.00 176.35 177.74 1joq s ALA 90 N 1.75 -1.89 -0.06 4.21 0.00 -1.26 -4.32 121.76 120.19 1joq s ALA 90 Ca 0.07 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 1joq s ALA 90 Cb -0.16 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.48 1joq s ALA 90 CO 0.10 -1.06 0.39 0.71 0.00 0.00 0.00 175.76 175.90 1joq s TYR 91 N -2.79 3.63 -0.17 0.00 2.02 -0.98 -4.04 117.35 115.02 1joq s TYR 91 Ca 0.15 0.87 -0.10 0.00 -0.37 0.00 0.00 57.07 57.62 1joq s TYR 91 Cb 0.01 -2.33 -0.05 0.00 -0.40 0.00 0.00 41.96 39.19 1joq s TYR 91 CO 0.00 0.47 0.15 0.42 -1.57 0.00 0.00 175.55 175.03 1joq s ILE 92 N -0.43 5.42 -0.15 2.71 1.01 -1.26 -1.04 121.20 127.46 1joq s ILE 92 Ca 0.22 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.12 1joq s ILE 92 Cb -0.15 -3.47 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1joq s ILE 92 CO 0.10 0.49 -0.19 -0.31 0.00 0.00 0.00 174.94 175.03 1joq s TYR 93 N -0.03 2.54 -0.05 3.97 1.51 -0.51 -1.19 117.35 123.58 1joq s TYR 93 Ca 0.11 -1.40 0.06 0.00 -1.01 0.00 0.00 57.07 54.83 1joq s TYR 93 Cb -0.12 -1.77 -0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1joq s TYR 93 CO 0.00 -0.69 -0.24 0.00 -1.11 0.00 0.00 175.55 173.52 1joq s ALA 94 N 1.16 2.24 -1.56 3.71 0.00 -0.21 -2.38 121.76 124.72 1joq s ALA 94 Ca 0.00 -1.05 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 1joq s ALA 94 Cb -0.14 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1joq s ALA 94 CO -0.08 0.44 0.49 -0.25 0.00 0.00 0.00 175.76 176.37 1joq n ASP 95 N 2.81 -6.01 -1.81 0.00 8.00 -1.25 -1.04 116.55 117.25 1joq n ASP 95 Ca -0.17 -0.23 -0.17 0.00 0.71 0.00 0.00 54.79 54.93 1joq n ASP 95 Cb 0.52 -4.86 -0.02 0.00 -0.02 0.00 0.00 41.12 36.74 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 -1.43 0.05 3.32 0.44 0.00 -1.26 -4.98 105.19 101.33 1joq n GLY 96 Ca -0.13 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.58 1.29 -0.58 1.61 1.02 -0.21 -5.10 119.74 113.20 1joq s LYS 97 Ca 0.00 -1.62 -0.23 0.00 0.02 0.00 0.00 55.97 54.14 1joq s LYS 97 Cb 0.00 -0.75 0.05 0.00 -0.52 0.00 0.00 37.83 36.61 1joq s LYS 97 CO 0.00 0.00 0.90 1.41 -0.92 0.00 0.00 175.35 176.74 1joq s MET 98 N -3.79 3.23 0.27 1.68 -2.45 -1.26 -1.04 119.30 115.94 1joq s MET 98 Ca 0.25 -0.54 0.00 0.00 -1.25 0.00 0.00 55.69 54.15 1joq s MET 98 Cb 0.04 -4.12 0.55 0.00 1.25 0.00 0.00 34.83 32.55 1joq s MET 98 CO 0.07 -1.56 1.80 0.28 1.05 0.00 0.00 175.02 176.66 1joq h VAL 99 N 5.98 0.84 -0.71 10.11 2.07 -1.47 0.21 116.25 133.28 1joq h VAL 99 Ca -0.27 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.03 1joq h VAL 99 Cb 1.08 -0.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1joq h VAL 99 CO 1.10 0.15 0.40 0.78 0.02 0.00 0.00 177.57 180.02 1joq h ASN 100 N 0.83 0.58 1.10 0.57 4.21 -1.91 0.11 115.58 121.07 1joq h ASN 100 Ca 0.48 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 58.01 1joq h ASN 100 Cb 0.57 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1joq h ASN 100 CO -0.30 0.37 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.05 1joq h GLU 101 N 0.72 0.00 -0.25 0.81 4.81 -1.38 -2.78 114.58 116.49 1joq h GLU 101 Ca 0.32 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1joq h GLU 101 Cb 0.23 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1joq h GLU 101 CO -0.20 0.08 -0.10 0.00 -0.73 0.00 0.00 179.01 178.05 1joq h ALA 102 N 1.92 0.36 -0.05 2.92 0.00 0.54 -1.06 119.26 123.89 1joq h ALA 102 Ca -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1joq h ALA 102 Cb 0.64 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1joq h ALA 102 CO 0.01 0.20 -0.05 -0.07 0.00 0.00 0.00 179.25 179.34 1joq h LEU 103 N 0.25 0.13 -1.99 0.00 4.07 -1.35 -2.54 115.31 113.89 1joq h LEU 103 Ca 0.06 -0.47 0.07 0.00 0.08 0.00 0.00 57.88 57.61 1joq h LEU 103 Cb 0.60 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1joq h LEU 103 CO 0.03 0.58 0.17 0.58 -1.08 0.00 0.00 178.44 178.72 1joq h VAL 104 N -0.31 0.89 -0.27 1.22 2.07 -1.52 0.73 116.25 119.07 1joq h VAL 104 Ca 0.01 -0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.41 1joq h VAL 104 Cb 0.54 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1joq h VAL 104 CO 0.01 0.00 -0.29 -0.09 0.02 0.00 0.00 177.57 177.22 1joq h ARG 105 N 0.01 0.66 -0.22 1.57 9.65 -0.96 -2.77 114.38 122.31 1joq h ARG 105 Ca 0.11 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1joq h ARG 105 Cb 0.44 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1joq h ARG 105 CO -0.00 0.97 0.00 0.94 2.80 0.00 0.00 179.97 184.68 1joq n GLN 106 N -4.29 1.61 -3.31 0.20 7.27 -0.50 -4.60 117.38 113.77 1joq n GLN 106 Ca -0.04 -0.94 -0.16 0.00 0.07 0.00 0.00 57.00 55.93 1joq n GLN 106 Cb 0.47 -1.27 0.06 0.00 2.41 0.00 0.00 30.24 31.90 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 0.98 -1.15 0.00 1.69 0.00 0.13 -4.60 105.19 102.24 1joq n GLY 107 Ca 0.12 0.56 0.01 0.00 0.00 0.00 0.00 46.02 46.70 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 -3.23 0.01 -4.04 0.99 4.77 -0.56 -3.58 117.00 111.36 1joq n LEU 108 Ca -0.07 -0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.67 1joq n LEU 108 Cb 0.60 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.58 1joq n LEU 108 CO 0.60 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 176.26 1joq s ALA 109 N -1.88 0.51 -0.17 -1.18 0.00 -1.26 -4.09 121.76 113.68 1joq s ALA 109 Ca -0.00 -0.68 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 1joq s ALA 109 Cb 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1joq s ALA 109 CO 0.06 -0.02 0.08 0.15 0.00 0.00 0.00 175.76 176.03 1joq s LYS 110 N -1.39 3.87 -0.04 0.00 1.02 -0.91 -4.60 119.74 117.68 1joq s LYS 110 Ca -0.09 -0.30 -0.33 0.00 0.02 0.00 0.00 55.97 55.27 1joq s LYS 110 Cb -0.09 -3.21 -0.11 0.00 -0.52 0.00 0.00 37.83 33.90 1joq s LYS 110 CO 0.00 0.38 1.90 0.28 -0.92 0.00 0.00 175.35 176.99 1joq n VAL 111 N 3.23 0.62 -4.04 3.17 0.31 -1.26 -0.90 118.33 119.45 1joq n VAL 111 Ca -0.17 -0.11 -0.12 0.00 -0.01 0.00 0.00 64.34 63.93 1joq n VAL 111 Cb 0.53 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.41 1joq n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joq s ALA 112 N 4.09 0.35 -0.54 3.52 0.00 -0.85 -4.85 121.76 123.49 1joq s ALA 112 Ca 0.91 -1.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.46 1joq s ALA 112 Cb -0.61 1.10 0.02 0.00 0.00 0.00 0.00 23.12 23.63 1joq s ALA 112 CO 0.48 -0.81 0.64 0.66 0.00 0.00 0.00 175.76 176.72 1joq n TYR 113 N -0.49 -3.16 -3.92 0.00 4.01 -1.26 -3.49 117.16 108.86 1joq n TYR 113 Ca -0.01 1.26 -0.30 0.00 -0.16 0.00 0.00 57.90 58.70 1joq n TYR 113 Cb 0.62 -3.68 -0.13 0.00 -0.31 0.00 0.00 39.34 35.84 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 -2.57 2.78 -0.13 -0.72 1.01 -1.26 -3.87 120.40 115.64 1joq s VAL 114 Ca 0.19 -3.70 0.03 0.00 0.00 0.00 0.00 61.98 58.50 1joq s VAL 114 Cb -0.04 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.47 1joq s VAL 114 CO 0.79 -0.89 -0.22 -0.31 0.00 0.00 0.00 175.10 174.47 1joq s TYR 115 N -0.77 2.63 0.75 5.22 2.02 -1.26 -5.05 117.35 120.90 1joq s TYR 115 Ca 0.20 -1.26 -0.13 0.00 -0.37 0.00 0.00 57.07 55.51 1joq s TYR 115 Cb -0.17 -1.78 0.05 0.00 -0.40 0.00 0.00 41.96 39.66 1joq s TYR 115 CO -0.07 -0.56 1.13 0.15 -1.57 0.00 0.00 175.55 174.63 1joq s LYS 116 N 0.69 2.22 0.00 -0.62 1.02 -1.26 -1.38 119.74 120.41 1joq s LYS 116 Ca -0.10 1.40 0.07 0.00 0.02 0.00 0.00 55.97 57.36 1joq s LYS 116 Cb -0.16 -1.88 0.22 0.00 -0.52 0.00 0.00 37.83 35.49 1joq s LYS 116 CO 0.01 -1.71 1.18 -0.35 -0.92 0.00 0.00 175.35 173.56 1joq n PRO 117 N -3.14 1.50 -2.24 -1.68 -0.04 -1.26 -4.98 135.00 123.16 1joq n PRO 117 Ca 0.11 -0.77 -0.43 0.00 -0.04 0.00 0.00 63.50 62.37 1joq n PRO 117 Cb 0.52 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 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 0.12 4.51 -0.66 3.54 3.02 -0.48 -4.06 115.26 121.26 1joq n ASN 118 Ca 0.07 -2.89 -0.03 0.00 -0.03 0.00 0.00 54.58 51.70 1joq n ASN 118 Cb 0.18 -1.71 -0.03 0.00 -0.61 0.00 0.00 39.78 37.62 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 7.37 -0.42 -0.00 6.41 6.94 -1.26 -4.11 115.26 130.19 1joq n ASN 119 Ca 0.50 -1.19 -0.10 0.00 -0.02 0.00 0.00 54.58 53.77 1joq n ASN 119 Cb 0.43 0.13 -0.03 0.00 -2.36 0.00 0.00 39.78 37.94 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 3.84 0.35 -0.41 5.53 2.02 -1.97 0.03 112.91 122.30 1joq h THR 120 Ca -0.24 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.66 1joq h THR 120 Cb 1.01 0.35 -0.12 0.00 -1.74 0.00 0.00 68.15 67.65 1joq h THR 120 CO -0.12 0.00 0.36 1.41 0.37 0.00 0.00 175.52 177.54 1joq n HIS 121 N -5.39 1.33 -0.02 3.16 8.25 -1.26 -4.39 115.22 116.90 1joq n HIS 121 Ca -0.03 -1.81 -0.12 0.00 -0.26 0.00 0.00 57.72 55.51 1joq n HIS 121 Cb 0.31 -0.88 -0.10 0.00 1.12 0.00 0.00 29.99 30.44 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 1.37 -0.06 -0.96 -0.41 4.57 -1.37 -2.79 114.58 114.93 1joq h GLU 122 Ca 0.25 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.47 1joq h GLU 122 Cb 0.96 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.50 1joq h GLU 122 CO 0.65 0.58 0.63 0.37 -1.18 0.00 0.00 179.01 180.06 1joq h GLN 123 N -0.84 1.17 0.48 1.92 4.15 -1.80 0.93 115.11 121.13 1joq h GLN 123 Ca -0.01 -0.07 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1joq h GLN 123 Cb 0.67 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 1joq h GLN 123 CO 0.01 0.77 -0.37 1.25 -1.93 0.00 0.00 178.83 178.56 1joq h LEU 124 N 1.21 -0.98 -1.73 -2.39 7.12 -1.86 -0.24 115.31 116.44 1joq h LEU 124 Ca 0.39 0.07 0.00 0.00 0.13 0.00 0.00 57.88 58.47 1joq h LEU 124 Cb 0.02 0.31 0.00 0.00 -0.53 0.00 0.00 40.66 40.46 1joq h LEU 124 CO -0.13 -0.55 0.00 -0.07 -0.13 0.00 0.00 178.44 177.56 1joq h LEU 125 N -0.84 0.00 0.00 2.25 3.38 -1.19 -2.50 115.31 116.41 1joq h LEU 125 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1joq h LEU 125 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1joq h LEU 125 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.39 1joq n ARG 126 N -2.70 0.00 -0.29 1.13 0.63 0.29 -1.75 116.66 113.98 1joq n ARG 126 Ca -0.01 0.43 0.11 0.00 -0.92 0.00 0.00 57.85 57.46 1joq n ARG 126 Cb 0.16 -1.11 0.27 0.00 0.45 0.00 0.00 32.46 32.22 1joq n ARG 126 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 1joq h LYS 127 N 0.00 0.32 -0.71 -0.14 2.10 -1.28 0.44 116.57 117.31 1joq h LYS 127 Ca 0.00 -0.02 0.08 0.00 -2.00 0.00 0.00 60.65 58.71 1joq h LYS 127 Cb 0.00 -0.07 -0.06 0.00 -0.90 0.00 0.00 32.23 31.19 1joq h LYS 127 CO 0.00 0.21 0.38 0.77 -2.00 0.00 0.00 179.45 178.82 1joq h SER 128 N 0.33 0.54 -0.82 7.07 0.02 -1.54 -0.72 113.55 118.43 1joq h SER 128 Ca 0.52 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.50 1joq h SER 128 Cb 0.96 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 1joq h SER 128 CO -0.54 0.32 0.46 -0.08 -1.14 0.00 0.00 176.83 175.85 1joq h GLU 129 N 0.67 1.13 0.00 3.45 4.22 0.70 -1.15 114.58 123.60 1joq h GLU 129 Ca 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 59.36 59.64 1joq h GLU 129 Cb 0.29 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1joq h GLU 129 CO -0.23 0.83 -0.04 0.00 -2.18 0.00 0.00 179.01 177.39 1joq h ALA 130 N 1.24 1.91 -0.17 2.92 0.00 -0.20 -1.62 119.26 123.34 1joq h ALA 130 Ca 0.29 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1joq h ALA 130 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1joq h ALA 130 CO -0.05 0.05 -0.15 0.37 0.00 0.00 0.00 179.25 179.48 1joq h GLN 131 N 0.00 0.40 0.00 0.00 4.15 -0.38 -2.67 115.11 116.61 1joq h GLN 131 Ca -0.00 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1joq h GLN 131 Cb 0.08 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.77 1joq h GLN 131 CO 0.01 0.76 -0.11 0.00 -1.93 0.00 0.00 178.83 177.55 1joq h ALA 132 N 0.64 1.34 0.27 3.38 0.00 -0.98 -1.24 119.26 122.66 1joq h ALA 132 Ca 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1joq h ALA 132 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1joq h ALA 132 CO 0.04 0.14 -0.13 0.87 0.00 0.00 0.00 179.25 180.17 1joq h LYS 133 N 0.00 -0.34 0.00 0.00 1.57 -1.01 0.40 116.57 117.18 1joq h LYS 133 Ca -0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1joq h LYS 133 Cb 0.30 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1joq h LYS 133 CO 0.01 0.01 -0.11 1.57 -0.57 0.00 0.00 179.45 180.36 1joq h LYS 134 N -0.80 0.00 0.00 3.15 2.10 -1.28 -1.13 116.57 118.61 1joq h LYS 134 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1joq h LYS 134 Cb 0.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 1joq h LYS 134 CO 0.06 0.11 -0.33 0.39 -2.00 0.00 0.00 179.45 177.68 1joq n GLU 135 N -3.50 0.29 -3.66 0.07 1.02 -0.49 -4.96 120.64 109.40 1joq n GLU 135 Ca -0.01 0.15 -0.26 0.00 -0.02 0.00 0.00 57.16 57.02 1joq n GLU 135 Cb 0.26 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 29.95 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 -2.20 -1.19 -3.55 3.49 5.02 0.12 -4.91 118.16 114.93 1joq n LYS 136 Ca 0.04 0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 56.59 1joq n LYS 136 Cb 0.44 -3.64 -0.09 0.00 -0.02 0.00 0.00 35.03 31.72 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 -5.75 5.29 0.00 -0.35 1.43 -1.19 -4.56 118.68 113.55 1joq s LEU 137 Ca 0.26 -1.47 0.00 0.00 -1.03 0.00 0.00 54.13 51.89 1joq s LEU 137 Cb -0.11 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.08 1joq s LEU 137 CO 0.87 -0.57 0.00 0.59 0.23 0.00 0.00 176.35 177.47 1joq n ASN 138 N 4.99 0.00 -0.32 2.29 3.02 -1.26 -3.44 115.26 120.53 1joq n ASN 138 Ca -0.11 0.00 0.29 0.00 -0.03 0.00 0.00 54.58 54.73 1joq n ASN 138 Cb 0.43 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.14 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 0.01 -0.33 2.41 2.04 -1.91 0.62 117.51 120.34 1joq h ILE 139 Ca 0.00 -0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.63 1joq h ILE 139 Cb 0.00 -0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.99 1joq h ILE 139 CO 0.00 0.00 0.10 0.79 0.00 0.00 0.00 178.15 179.05 1joq n TRP 140 N -5.30 0.74 -3.22 1.37 7.02 -1.22 -4.85 117.44 111.97 1joq n TRP 140 Ca 0.35 -1.57 0.00 0.00 -1.02 0.00 0.00 57.50 55.26 1joq n TRP 140 Cb 1.19 -1.04 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 1joq n TRP 140 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1joq n SER 141 N 1.28 0.96 -3.09 -0.99 7.64 0.22 -3.85 113.62 115.79 1joq n SER 141 Ca 0.27 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.41 1joq n SER 141 Cb 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 1joq n SER 141 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1joq n GLU 142 N -0.39 2.53 0.08 1.43 -0.00 -1.26 -5.04 120.64 117.99 1joq n GLU 142 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1joq n GLU 142 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1joq n ASP 143 N 0.00 -1.53 -5.03 -1.84 2.03 -1.26 -5.09 116.55 103.84 1joq n ASP 143 Ca 0.00 0.45 -0.20 0.00 0.52 0.00 0.00 54.79 55.56 1joq n ASP 143 Cb 0.00 1.65 0.06 0.00 -0.72 0.00 0.00 41.12 42.11 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 -1.58 5.05 -0.02 1.67 2.47 -1.26 -5.01 114.94 116.26 1joq s ASN 144 Ca 0.00 -0.89 -0.30 0.00 0.42 0.00 0.00 52.86 52.09 1joq s ASN 144 Cb 0.00 0.35 -0.07 0.00 -1.45 0.00 0.00 41.25 40.08 1joq s ASN 144 CO 0.00 -1.36 1.81 0.00 -3.72 0.00 0.00 177.10 173.83 1joq s ALA 145 N -2.69 3.57 -0.06 1.71 0.00 -1.26 -4.97 121.76 118.06 1joq s ALA 145 Ca 0.61 1.10 0.02 0.00 0.00 0.00 0.00 51.96 53.68 1joq s ALA 145 Cb -0.05 -3.80 0.01 0.00 0.00 0.00 0.00 23.12 19.28 1joq s ALA 145 CO 0.38 -1.52 -0.11 -0.51 0.00 0.00 0.00 175.76 174.00 1joq s ASP 146 N 3.98 1.67 -0.39 0.00 1.01 -1.26 -5.08 116.67 116.60 1joq s ASP 146 Ca 0.81 -0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.84 1joq s ASP 146 Cb -0.37 -0.77 0.16 0.00 1.01 0.00 0.00 42.92 42.95 1joq s ASP 146 CO 0.35 0.01 0.43 -0.55 0.21 0.00 0.00 175.17 175.63 1joq s SER 147 N 0.74 0.64 0.00 0.27 0.15 -1.26 -5.11 113.70 109.12 1joq s SER 147 Ca -0.13 -1.53 0.00 0.00 0.70 0.00 0.00 55.95 54.99 1joq s SER 147 Cb -0.15 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1joq s SER 147 CO 0.03 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1joq n GLY 148 N 4.15 -1.58 0.00 9.45 0.00 -1.26 -5.35 105.19 110.60 1joq n GLY 148 Ca 0.12 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 44.09 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26