#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 0.07 -3.85 0.00 5.66 -1.26 -5.08 114.28 109.82 1joq n THR 2 Ca 0.00 -0.07 -0.28 0.00 -3.05 0.00 0.00 64.05 60.64 1joq n THR 2 Cb 0.00 0.71 -0.03 0.00 -1.55 0.00 0.00 70.33 69.46 1joq n THR 2 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1joq s SER 3 N -0.59 6.37 0.00 1.09 0.01 -1.26 -4.99 113.70 114.33 1joq s SER 3 Ca 0.01 0.30 0.24 0.00 1.31 0.00 0.00 55.95 57.80 1joq s SER 3 Cb 0.01 -1.97 0.26 0.00 0.21 0.00 0.00 66.02 64.53 1joq s SER 3 CO 0.00 0.05 1.25 0.35 0.41 0.00 0.00 173.24 175.30 1joq n THR 4 N -0.32 0.00 -1.90 1.44 -2.24 -1.26 -5.06 114.28 104.94 1joq n THR 4 Ca -0.05 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1joq n THR 4 Cb 0.53 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1joq n THR 4 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1joq n LYS 5 N -0.76 -5.28 -0.06 -0.78 4.76 -1.26 -4.71 118.16 110.07 1joq n LYS 5 Ca 0.08 3.79 -0.10 0.00 -2.87 0.00 0.00 58.31 59.21 1joq n LYS 5 Cb 0.38 -4.14 -0.04 0.00 -1.84 0.00 0.00 35.03 29.39 1joq n LYS 5 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1joq h LYS 6 N 3.36 -0.36 -7.21 1.97 1.63 -2.06 -3.41 116.57 110.49 1joq h LYS 6 Ca 0.00 0.02 -0.45 0.00 -0.85 0.00 0.00 60.65 59.37 1joq h LYS 6 Cb 0.00 0.08 0.20 0.00 -0.60 0.00 0.00 32.23 31.91 1joq h LYS 6 CO 0.00 -0.24 0.08 -0.51 -3.45 0.00 0.00 179.45 175.33 1joq s LEU 7 N -10.47 1.23 -0.19 5.20 1.43 -1.26 -5.00 118.68 109.61 1joq s LEU 7 Ca -0.15 1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 54.42 1joq s LEU 7 Cb 0.11 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1joq s LEU 7 CO 0.66 -3.82 -0.03 -1.38 0.23 0.00 0.00 176.35 172.00 1joq s HIS 8 N -2.60 2.99 -0.25 0.29 -3.43 -1.26 -5.06 115.29 105.96 1joq s HIS 8 Ca 0.67 -0.58 -0.10 0.00 -0.80 0.00 0.00 55.06 54.25 1joq s HIS 8 Cb -0.23 -2.04 -0.05 0.00 -1.43 0.00 0.00 32.58 28.83 1joq s HIS 8 CO 0.62 -0.29 0.16 0.15 -2.00 0.00 0.00 174.74 173.38 1joq s LYS 9 N 0.96 4.00 0.40 -0.38 1.02 -1.26 -4.36 119.74 120.11 1joq s LYS 9 Ca 0.00 -0.30 0.08 0.00 0.02 0.00 0.00 55.97 55.77 1joq s LYS 9 Cb -0.15 -3.54 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 1joq s LYS 9 CO 0.01 -0.01 0.24 -1.21 -0.92 0.00 0.00 175.35 173.46 1joq s GLU 10 N 1.24 2.36 0.76 1.68 8.01 -0.60 -4.94 118.70 127.22 1joq s GLU 10 Ca 0.07 -1.68 -0.09 0.00 0.01 0.00 0.00 54.97 53.28 1joq s GLU 10 Cb -0.14 -2.15 0.09 0.00 -4.31 0.00 0.00 34.13 27.61 1joq s GLU 10 CO 0.06 -0.10 1.10 -1.25 0.01 0.00 0.00 175.26 175.08 1joq s PRO 11 N -3.97 1.92 0.39 0.39 0.04 -1.26 -1.10 135.00 131.41 1joq s PRO 11 Ca 0.43 -0.22 -0.12 0.00 0.04 0.00 0.00 61.00 61.13 1joq s PRO 11 Cb 0.00 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.51 1joq s PRO 11 CO 0.24 -1.49 0.73 0.00 0.04 0.00 0.00 177.00 176.52 1joq s ALA 12 N -3.41 -0.33 -0.06 8.56 0.00 0.61 -4.53 121.76 122.60 1joq s ALA 12 Ca 0.63 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1joq s ALA 12 Cb -0.10 0.77 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1joq s ALA 12 CO 0.47 -0.94 -0.11 0.99 0.00 0.00 0.00 175.76 176.17 1joq s THR 13 N -2.31 1.01 -0.50 0.00 2.01 -0.46 -4.66 115.64 110.73 1joq s THR 13 Ca 0.19 -0.42 -0.28 0.00 0.31 0.00 0.00 61.69 61.49 1joq s THR 13 Cb -0.04 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.55 1joq s THR 13 CO 0.14 0.32 1.44 -0.22 -0.69 0.00 0.00 174.62 175.62 1joq s LEU 14 N 0.60 3.47 -0.13 4.42 1.98 -1.26 -1.56 118.68 126.20 1joq s LEU 14 Ca -0.12 0.53 -0.13 0.00 -2.89 0.00 0.00 54.13 51.52 1joq s LEU 14 Cb -0.14 -3.24 -0.04 0.00 0.66 0.00 0.00 46.19 43.42 1joq s LEU 14 CO 0.03 -1.63 -0.24 -0.38 -1.89 0.00 0.00 176.35 172.23 1joq n ILE 15 N 6.98 1.17 -3.64 6.68 5.41 -0.97 -4.96 119.36 130.02 1joq n ILE 15 Ca 0.15 0.23 -0.05 0.00 1.00 0.00 0.00 62.75 64.07 1joq n ILE 15 Cb 0.49 -2.18 -0.07 0.00 -0.71 0.00 0.00 39.64 37.17 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 -2.38 0.40 0.21 0.38 2.20 -1.06 -5.04 119.74 114.46 1joq s LYS 16 Ca -0.20 0.56 -0.15 0.00 -0.36 0.00 0.00 55.97 55.82 1joq s LYS 16 Cb 0.03 0.14 -0.08 0.00 -1.51 0.00 0.00 37.83 36.42 1joq s LYS 16 CO 0.30 -0.06 0.62 0.00 -0.36 0.00 0.00 175.35 175.85 1joq s ALA 17 N 0.72 3.49 -0.06 3.13 0.00 -1.26 -1.47 121.76 126.31 1joq s ALA 17 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.91 1joq s ALA 17 Cb -0.04 -2.62 -0.05 0.00 0.00 0.00 0.00 23.12 20.41 1joq s ALA 17 CO -0.11 0.41 -0.02 -0.89 0.00 0.00 0.00 175.76 175.16 1joq n ILE 18 N 0.39 0.35 -3.13 0.00 5.41 -0.88 -4.92 119.36 116.57 1joq n ILE 18 Ca -0.02 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.55 1joq n ILE 18 Cb 0.52 -0.80 0.00 0.00 -0.71 0.00 0.00 39.64 38.65 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 -2.41 0.00 0.01 4.38 8.00 -0.73 -4.98 116.55 120.84 1joq n ASP 19 Ca -0.10 -0.30 0.12 0.00 0.71 0.00 0.00 54.79 55.22 1joq n ASP 19 Cb 0.64 0.00 0.23 0.00 -0.02 0.00 0.00 41.12 41.97 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1joq n GLY 20 N 0.00 -1.29 0.00 0.44 0.00 -1.26 -4.12 105.19 98.96 1joq n GLY 20 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.66 0.24 -4.12 1.61 9.92 -1.26 -4.63 116.55 116.66 1joq n ASP 21 Ca 0.05 -0.59 -0.33 0.00 -0.53 0.00 0.00 54.79 53.39 1joq n ASP 21 Cb 0.36 0.30 -0.16 0.00 -0.64 0.00 0.00 41.12 40.98 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 -0.30 2.03 -0.01 -3.53 2.01 -1.25 -1.41 115.64 113.18 1joq s THR 22 Ca 0.00 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.08 1joq s THR 22 Cb 0.00 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.68 1joq s THR 22 CO 0.00 0.53 -0.00 0.68 -0.69 0.00 0.00 174.62 175.14 1joq s VAL 23 N 1.29 0.08 -0.20 3.82 -7.23 -0.99 -1.77 120.40 115.39 1joq s VAL 23 Ca 0.05 0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 60.00 1joq s VAL 23 Cb -0.13 -0.11 -0.02 0.00 0.56 0.00 0.00 36.38 36.68 1joq s VAL 23 CO -0.12 0.05 0.70 -0.54 -0.31 0.00 0.00 175.10 174.88 1joq s LYS 24 N 0.28 4.22 0.02 4.82 1.02 -0.54 -1.89 119.74 127.66 1joq s LYS 24 Ca -0.02 0.75 0.01 0.00 0.02 0.00 0.00 55.97 56.72 1joq s LYS 24 Cb -0.04 -3.59 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1joq s LYS 24 CO -0.01 -0.30 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.57 1joq s LEU 25 N 2.11 2.16 0.11 3.17 1.43 -1.03 -2.30 118.68 124.33 1joq s LEU 25 Ca 0.32 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.77 1joq s LEU 25 Cb -0.16 -0.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.96 1joq s LEU 25 CO 0.10 -0.16 1.04 -0.32 0.23 0.00 0.00 176.35 177.25 1joq s MET 26 N -0.99 4.60 -0.18 1.70 1.75 -0.60 -2.18 119.30 123.40 1joq s MET 26 Ca -0.08 1.58 -0.02 0.00 -1.25 0.00 0.00 55.69 55.92 1joq s MET 26 Cb -0.07 -3.35 0.05 0.00 2.84 0.00 0.00 34.83 34.30 1joq s MET 26 CO -0.00 0.06 0.00 -0.47 -0.65 0.00 0.00 175.02 173.96 1joq s TYR 27 N 0.24 1.28 -1.50 4.11 5.04 -0.37 -1.36 117.35 124.80 1joq s TYR 27 Ca 0.50 -0.91 -0.04 0.00 -2.44 0.00 0.00 57.07 54.18 1joq s TYR 27 Cb -0.26 -1.12 0.02 0.00 0.35 0.00 0.00 41.96 40.95 1joq s TYR 27 CO 0.31 -0.59 0.39 1.63 -1.34 0.00 0.00 175.55 175.95 1joq n LYS 28 N 4.98 -3.66 -1.30 4.97 4.01 -1.26 -0.54 118.16 125.36 1joq n LYS 28 Ca -0.10 0.82 -0.00 0.00 -0.51 0.00 0.00 58.31 58.53 1joq n LYS 28 Cb 0.47 -5.59 -0.00 0.00 -0.51 0.00 0.00 35.03 29.40 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1joq n GLY 29 N -1.27 0.38 2.59 0.72 0.00 -1.26 -5.01 105.19 101.33 1joq n GLY 29 Ca -0.13 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.61 0.22 0.00 1.61 0.74 0.30 -5.12 119.66 114.82 1joq s GLN 30 Ca 0.00 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.66 1joq s GLN 30 Cb 0.00 -1.05 -0.05 0.00 1.10 0.00 0.00 33.01 33.02 1joq s GLN 30 CO 0.00 -1.02 1.25 -1.25 -0.55 0.00 0.00 175.29 173.72 1joq s PRO 31 N 2.15 4.36 0.10 1.67 0.04 -1.26 -1.23 135.00 140.84 1joq s PRO 31 Ca 0.09 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.91 1joq s PRO 31 Cb -0.16 -3.47 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 1joq s PRO 31 CO -0.36 -0.41 0.02 -1.64 0.04 0.00 0.00 177.00 174.66 1joq s MET 32 N 1.80 0.80 -0.52 4.56 -1.94 -0.93 -4.91 119.30 118.17 1joq s MET 32 Ca 0.59 -1.35 -0.22 0.00 -1.71 0.00 0.00 55.69 53.00 1joq s MET 32 Cb -0.28 0.23 0.05 0.00 2.01 0.00 0.00 34.83 36.83 1joq s MET 32 CO 0.26 -0.20 0.77 0.95 -0.01 0.00 0.00 175.02 176.79 1joq s THR 33 N -4.00 4.66 0.07 2.05 -4.23 -1.26 -2.48 115.64 110.45 1joq s THR 33 Ca 0.17 -0.08 -0.24 0.00 -1.18 0.00 0.00 61.69 60.36 1joq s THR 33 Cb 0.08 -4.39 -0.06 0.00 1.34 0.00 0.00 72.50 69.46 1joq s THR 33 CO -0.03 -0.92 0.74 -0.36 -0.54 0.00 0.00 174.62 173.52 1joq s PHE 34 N 3.23 3.78 -0.15 3.99 0.08 -0.79 -1.94 117.98 126.18 1joq s PHE 34 Ca 0.23 1.48 -0.00 0.00 0.12 0.00 0.00 56.93 58.75 1joq s PHE 34 Cb -0.16 -2.77 -0.01 0.00 -0.57 0.00 0.00 43.02 39.52 1joq s PHE 34 CO 0.16 0.36 -0.14 0.50 -0.10 0.00 0.00 175.22 176.00 1joq s ARG 35 N -0.40 3.30 0.16 0.44 6.06 -0.98 -2.36 118.95 125.17 1joq s ARG 35 Ca 0.37 -0.71 -0.33 0.00 -2.50 0.00 0.00 55.73 52.55 1joq s ARG 35 Cb -0.21 -2.65 -0.16 0.00 0.06 0.00 0.00 34.95 31.99 1joq s ARG 35 CO 0.23 0.09 1.19 1.28 -2.50 0.00 0.00 175.30 175.58 1joq n LEU 36 N 3.88 1.53 -4.86 -0.88 4.77 -0.50 -4.31 117.00 116.64 1joq n LEU 36 Ca -0.19 1.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.59 1joq n LEU 36 Cb 0.52 -1.21 -0.06 0.00 -2.33 0.00 0.00 43.42 40.34 1joq n LEU 36 CO 0.29 -1.27 0.21 -0.76 -1.33 0.00 0.00 177.39 174.53 1joq s LEU 37 N 0.63 4.28 0.00 2.23 1.43 -1.26 -4.00 118.68 122.00 1joq s LEU 37 Ca 0.75 0.98 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 1joq s LEU 37 Cb -0.87 -3.39 0.00 0.00 0.03 0.00 0.00 46.19 41.97 1joq s LEU 37 CO 0.51 0.05 0.00 0.18 0.23 0.00 0.00 176.35 177.32 1joq n LEU 38 N 0.47 0.49 -4.12 1.79 4.77 -1.25 -4.97 117.00 114.18 1joq n LEU 38 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.85 1joq n LEU 38 Cb 0.52 -1.38 -0.10 0.00 -2.33 0.00 0.00 43.42 40.13 1joq n LEU 38 CO 0.43 -0.46 -0.37 0.68 -1.33 0.00 0.00 177.39 176.34 1joq s VAL 39 N -1.65 0.45 -0.04 4.08 -7.23 -1.22 -1.63 120.40 113.18 1joq s VAL 39 Ca 0.00 -1.78 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 1joq s VAL 39 Cb 0.00 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.48 1joq s VAL 39 CO 0.00 -0.88 0.09 -0.62 -0.31 0.00 0.00 175.10 173.38 1joq s ASP 40 N -2.83 -0.08 0.69 4.85 -1.08 -0.10 -4.69 116.67 113.44 1joq s ASP 40 Ca 0.07 0.18 -0.11 0.00 -0.52 0.00 0.00 52.55 52.17 1joq s ASP 40 Cb 0.05 0.15 0.00 0.00 -1.46 0.00 0.00 42.92 41.66 1joq s ASP 40 CO -0.07 -0.06 1.06 0.42 0.52 0.00 0.00 175.17 177.04 1joq s THR 41 N 0.37 4.08 0.00 1.71 -4.23 -1.26 -2.43 115.64 113.88 1joq s THR 41 Ca -0.03 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1joq s THR 41 Cb -0.04 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1joq s THR 41 CO -0.01 -0.88 0.00 -0.81 -0.54 0.00 0.00 174.62 172.37 1joq n PRO 42 N -3.06 1.11 -1.91 3.99 -0.04 -1.26 -4.91 135.00 128.92 1joq n PRO 42 Ca 0.07 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.13 1joq n PRO 42 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 1joq n PRO 42 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1joq s GLU 43 N 0.00 3.87 -0.45 0.54 2.56 -1.26 -4.97 118.70 118.99 1joq s GLU 43 Ca 0.00 2.33 0.07 0.00 0.00 0.00 0.00 54.97 57.37 1joq s GLU 43 Cb 0.00 -2.75 0.24 0.00 2.00 0.00 0.00 34.13 33.61 1joq s GLU 43 CO 0.00 -0.63 0.73 2.41 -0.56 0.00 0.00 175.26 177.21 1joq n THR 44 N 0.05 -0.29 -0.03 -1.70 -1.04 -1.26 -4.56 114.28 105.45 1joq n THR 44 Ca 0.04 -2.40 -0.04 0.00 -2.04 0.00 0.00 64.05 59.61 1joq n THR 44 Cb 0.42 0.15 -0.03 0.00 -1.82 0.00 0.00 70.33 69.05 1joq n THR 44 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1joq h LYS 45 N 4.15 -0.04 -5.45 -2.82 1.57 -1.93 -3.45 116.57 108.60 1joq h LYS 45 Ca -0.04 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.10 1joq h LYS 45 Cb 0.98 0.01 -0.19 0.00 0.08 0.00 0.00 32.23 33.11 1joq h LYS 45 CO 0.35 0.20 -0.64 -1.01 -0.57 0.00 0.00 179.45 177.78 1joq s HIS 46 N -1.89 3.10 -0.21 -1.35 3.76 -1.26 -4.98 115.29 112.45 1joq s HIS 46 Ca -0.05 -0.11 0.25 0.00 -0.15 0.00 0.00 55.06 55.00 1joq s HIS 46 Cb -0.01 -1.94 0.63 0.00 1.11 0.00 0.00 32.58 32.37 1joq s HIS 46 CO 0.18 0.12 1.71 -1.00 -0.85 0.00 0.00 174.74 174.90 1joq h PRO 47 N 6.35 0.00 0.00 8.40 0.13 -1.91 -3.22 132.00 141.75 1joq h PRO 47 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1joq h PRO 47 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1joq h PRO 47 CO 0.63 0.08 -0.48 1.63 -0.23 0.00 0.00 178.00 179.62 1joq n LYS 48 N -3.14 0.00 0.20 0.86 5.02 -1.26 -4.72 118.16 115.12 1joq n LYS 48 Ca 0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 1joq n LYS 48 Cb 0.49 -0.31 0.71 0.00 -0.02 0.00 0.00 35.03 35.90 1joq n LYS 48 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1joq h LYS 49 N 0.00 0.00 -2.26 1.97 1.57 -1.98 -3.48 116.57 112.39 1joq h LYS 49 Ca 0.00 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.04 1joq h LYS 49 Cb 0.48 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.71 1joq h LYS 49 CO 0.00 0.00 -0.47 0.41 -0.57 0.00 0.00 179.45 178.82 1joq n GLY 50 N -1.24 -2.02 0.00 3.86 0.00 -1.22 -4.96 105.19 99.61 1joq n GLY 50 Ca -0.02 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1joq n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1joq n VAL 51 N -3.45 0.00 -3.85 1.61 3.14 -1.26 -4.30 118.33 110.21 1joq n VAL 51 Ca -0.01 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.31 1joq n VAL 51 Cb 0.46 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.26 1joq n VAL 51 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1joq s GLU 52 N -1.00 1.84 0.32 1.45 -1.05 -1.26 -5.06 118.70 113.94 1joq s GLU 52 Ca 0.00 -1.20 -0.29 0.00 -0.15 0.00 0.00 54.97 53.32 1joq s GLU 52 Cb 0.00 0.51 -0.12 0.00 -0.44 0.00 0.00 34.13 34.08 1joq s GLU 52 CO 0.00 -0.87 1.49 0.36 0.95 0.00 0.00 175.26 177.19 1joq n LYS 53 N -0.63 2.50 -2.22 -4.83 0.00 -1.26 -1.63 118.16 110.10 1joq n LYS 53 Ca -0.06 0.88 -0.11 0.00 -0.00 0.00 0.00 58.31 59.03 1joq n LYS 53 Cb 0.60 -2.60 -0.00 0.00 -0.00 0.00 0.00 35.03 33.02 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1joq n TYR 54 N 1.36 -0.53 0.00 5.58 4.01 -1.26 -4.96 117.16 121.36 1joq n TYR 54 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1joq n TYR 54 Cb 0.36 -2.59 0.00 0.00 -0.31 0.00 0.00 39.34 36.81 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 -1.01 0.69 1.82 2.72 0.00 -0.65 -4.48 105.19 104.27 1joq n GLY 55 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.08 1.58 -0.08 1.61 -0.04 -1.26 -4.06 135.00 131.67 1joq n PRO 56 Ca 0.00 -0.81 -0.11 0.00 -0.04 0.00 0.00 63.50 62.54 1joq n PRO 56 Cb 0.00 -1.52 -0.07 0.00 -0.04 0.00 0.00 33.50 31.87 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 1.54 0.37 0.22 0.54 4.07 -1.26 -4.29 120.64 121.83 1joq n GLU 57 Ca 0.23 0.09 -0.15 0.00 -0.06 0.00 0.00 57.16 57.27 1joq n GLU 57 Cb 0.64 -1.27 -0.08 0.00 -0.06 0.00 0.00 31.44 30.68 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 -0.08 -0.54 0.00 4.31 0.00 -1.85 -1.04 119.26 120.06 1joq h ALA 58 Ca -0.34 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1joq h ALA 58 Cb 1.49 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1joq h ALA 58 CO -0.08 -0.73 0.11 1.03 0.00 0.00 0.00 179.25 179.58 1joq h SER 59 N -0.67 0.00 0.34 0.00 0.87 -1.83 -0.52 113.55 111.75 1joq h SER 59 Ca -0.05 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.18 1joq h SER 59 Cb 0.48 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1joq h SER 59 CO 0.09 0.00 -1.58 0.00 -0.53 0.00 0.00 176.83 174.81 1joq h ALA 60 N 1.77 0.13 -0.22 6.23 0.00 -1.52 -2.03 119.26 123.63 1joq h ALA 60 Ca 0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 54.91 53.82 1joq h ALA 60 Cb 0.22 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1joq h ALA 60 CO 0.00 1.00 0.00 0.35 0.00 0.00 0.00 179.25 180.60 1joq h PHE 61 N 0.10 0.42 -0.05 0.00 3.04 0.14 -2.69 116.94 117.90 1joq h PHE 61 Ca -0.27 -0.07 -0.16 0.00 3.98 0.00 0.00 57.97 61.45 1joq h PHE 61 Cb 2.07 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 40.46 1joq h PHE 61 CO 0.09 0.57 -0.67 1.15 -2.02 0.00 0.00 178.31 177.42 1joq h THR 62 N 0.16 1.42 0.44 4.41 2.02 -1.56 -2.06 112.91 117.74 1joq h THR 62 Ca 0.06 -2.16 -0.01 0.00 0.77 0.00 0.00 66.41 65.07 1joq h THR 62 Cb 0.40 2.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 1joq h THR 62 CO 0.01 0.63 -0.42 0.50 0.37 0.00 0.00 175.52 176.61 1joq h LYS 63 N 0.14 -0.84 0.00 6.66 3.64 -1.21 -0.29 116.57 124.66 1joq h LYS 63 Ca -0.02 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1joq h LYS 63 Cb 1.21 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 33.22 1joq h LYS 63 CO 0.10 -0.56 -0.15 -0.22 -2.27 0.00 0.00 179.45 176.35 1joq h LYS 64 N -0.87 0.00 0.00 1.90 3.64 -1.53 -2.01 116.57 117.69 1joq h LYS 64 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1joq h LYS 64 Cb 0.77 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1joq h LYS 64 CO -0.05 0.15 0.00 -1.33 -2.27 0.00 0.00 179.45 175.95 1joq n MET 65 N -3.37 0.00 0.02 1.90 2.81 -0.70 -1.39 117.12 116.39 1joq n MET 65 Ca -0.00 0.25 0.19 0.00 -1.81 0.00 0.00 57.70 56.34 1joq n MET 65 Cb 0.35 -0.97 0.69 0.00 -0.71 0.00 0.00 33.22 32.58 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 1joq h VAL 66 N 0.00 0.74 -0.10 2.03 -1.51 -1.20 0.46 116.25 116.67 1joq h VAL 66 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.38 1joq h VAL 66 Cb 0.00 0.75 0.00 0.00 -2.13 0.00 0.00 31.29 29.91 1joq h VAL 66 CO 0.00 0.00 -0.28 -0.33 -1.23 0.00 0.00 177.57 175.73 1joq h GLU 67 N 0.00 0.36 -0.14 5.19 4.39 -1.45 -3.12 114.58 119.81 1joq h GLU 67 Ca 0.23 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1joq h GLU 67 Cb 0.94 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1joq h GLU 67 CO -0.00 0.87 0.00 0.09 -1.16 0.00 0.00 179.01 178.81 1joq n ASN 68 N -4.45 1.67 -4.58 1.42 5.03 -0.49 -4.82 115.26 109.05 1joq n ASN 68 Ca -0.08 -1.68 -0.42 0.00 0.87 0.00 0.00 54.58 53.28 1joq n ASN 68 Cb 0.47 -0.09 -0.03 0.00 -1.02 0.00 0.00 39.78 39.11 1joq n ASN 68 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1joq s ALA 69 N -1.82 2.77 0.41 5.41 0.00 0.15 -4.82 121.76 123.85 1joq s ALA 69 Ca 0.33 -0.30 0.32 0.00 0.00 0.00 0.00 51.96 52.31 1joq s ALA 69 Cb 0.18 -4.08 1.65 0.00 0.00 0.00 0.00 23.12 20.87 1joq s ALA 69 CO 0.28 -2.89 2.12 0.87 0.00 0.00 0.00 175.76 176.13 1joq h LYS 70 N 12.13 0.00 -4.10 0.00 1.57 -1.88 -3.41 116.57 120.87 1joq h LYS 70 Ca -0.29 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.13 1joq h LYS 70 Cb 1.13 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.12 1joq h LYS 70 CO 1.12 0.07 -0.76 0.15 -0.57 0.00 0.00 179.45 179.46 1joq s LYS 71 N -4.09 0.58 -0.19 3.15 3.01 -1.26 -5.03 119.74 115.91 1joq s LYS 71 Ca -0.03 -0.11 0.00 0.00 -1.01 0.00 0.00 55.97 54.83 1joq s LYS 71 Cb 0.12 -0.61 0.04 0.00 -1.01 0.00 0.00 37.83 36.37 1joq s LYS 71 CO 0.54 -0.01 -0.08 0.42 0.51 0.00 0.00 175.35 176.73 1joq s ILE 72 N 0.50 1.44 -0.03 2.17 1.09 -1.26 -3.30 121.20 121.81 1joq s ILE 72 Ca -0.06 -0.88 0.02 0.00 -1.10 0.00 0.00 60.65 58.63 1joq s ILE 72 Cb -0.09 -1.56 0.00 0.00 -1.06 0.00 0.00 42.46 39.75 1joq s ILE 72 CO -0.00 0.14 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.28 1joq s GLU 73 N 1.48 0.97 0.31 2.79 2.02 -1.04 -0.29 118.70 124.95 1joq s GLU 73 Ca -0.01 -0.29 0.07 0.00 0.02 0.00 0.00 54.97 54.76 1joq s GLU 73 Cb -0.16 -0.91 -0.03 0.00 0.10 0.00 0.00 34.13 33.13 1joq s GLU 73 CO -0.08 0.10 0.25 0.14 0.02 0.00 0.00 175.26 175.69 1joq s VAL 74 N 0.25 3.83 -0.30 2.63 -7.23 -0.26 -1.36 120.40 117.96 1joq s VAL 74 Ca -0.04 -1.40 -0.03 0.00 -1.81 0.00 0.00 61.98 58.70 1joq s VAL 74 Cb -0.09 -3.25 0.11 0.00 0.56 0.00 0.00 36.38 33.71 1joq s VAL 74 CO 0.01 -0.24 0.15 -0.70 -0.31 0.00 0.00 175.10 174.01 1joq s GLU 75 N -3.93 0.27 0.76 4.82 2.12 -0.58 -1.56 118.70 120.60 1joq s GLU 75 Ca 0.38 -0.71 -0.14 0.00 0.36 0.00 0.00 54.97 54.86 1joq s GLU 75 Cb -0.06 -1.19 0.06 0.00 0.26 0.00 0.00 34.13 33.19 1joq s GLU 75 CO 0.26 -1.06 1.19 -0.06 -0.54 0.00 0.00 175.26 175.04 1joq s PHE 76 N 1.87 2.03 0.00 5.30 0.08 -1.26 -1.79 117.98 124.20 1joq s PHE 76 Ca 0.11 1.63 0.00 0.00 0.12 0.00 0.00 56.93 58.79 1joq s PHE 76 Cb -0.18 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 1joq s PHE 76 CO -0.28 -2.57 0.00 -3.47 -0.10 0.00 0.00 175.22 168.80 1joq n ASP 77 N -3.01 0.00 0.12 1.36 -0.08 -1.26 -4.75 116.55 108.92 1joq n ASP 77 Ca 0.13 -0.82 0.12 0.00 -1.51 0.00 0.00 54.79 52.71 1joq n ASP 77 Cb 0.51 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.17 1joq n ASP 77 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1joq h LYS 78 N 0.00 0.00 0.00 -0.67 -0.00 -1.96 -3.46 116.57 110.48 1joq h LYS 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1joq h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1joq h LYS 78 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.86 1joq n GLY 79 N 1.25 -0.69 3.28 0.07 0.00 -1.26 -4.99 105.19 102.85 1joq n GLY 79 Ca 0.03 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.20 -1.50 0.00 1.61 6.02 -1.26 -4.92 117.38 117.13 1joq n GLN 80 Ca 0.00 -0.42 0.06 0.00 -0.01 0.00 0.00 57.00 56.64 1joq n GLN 80 Cb 0.00 -1.71 0.01 0.00 1.02 0.00 0.00 30.24 29.56 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 -2.01 1.77 -4.06 -1.09 1.74 -1.26 -4.65 116.66 107.09 1joq n ARG 81 Ca 0.01 -0.77 -0.10 0.00 -0.77 0.00 0.00 57.85 56.22 1joq n ARG 81 Cb 0.62 -1.18 -0.07 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.55 0.01 0.00 0.55 -4.23 -1.26 -1.96 115.64 107.20 1joq s THR 82 Ca 0.11 -1.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1joq s THR 82 Cb 0.10 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1joq s THR 82 CO 0.30 -0.03 0.00 -0.90 -0.54 0.00 0.00 174.62 173.45 1joq n ASP 83 N -0.33 0.98 0.13 3.99 5.68 -0.91 -4.84 116.55 121.24 1joq n ASP 83 Ca -0.01 -0.94 0.12 0.00 -0.50 0.00 0.00 54.79 53.46 1joq n ASP 83 Cb 0.63 0.00 0.49 0.00 -1.14 0.00 0.00 41.12 41.10 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 -0.48 0.18 -0.09 0.11 2.85 -1.26 -1.80 118.16 117.67 1joq n LYS 84 Ca 0.00 0.43 0.11 0.00 -1.05 0.00 0.00 58.31 57.80 1joq n LYS 84 Cb 0.00 -1.86 0.32 0.00 -0.65 0.00 0.00 35.03 32.84 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 -2.21 0.25 -0.56 5.58 4.01 -1.26 -4.90 117.16 118.07 1joq n TYR 85 Ca 0.02 -0.12 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1joq n TYR 85 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.26 1.60 3.76 2.72 0.00 -0.74 -4.99 105.19 108.79 1joq n GLY 86 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.07 2.75 -0.10 1.61 0.52 -1.26 -4.71 118.95 117.68 1joq s ARG 87 Ca 0.00 1.56 -0.22 0.00 -0.52 0.00 0.00 55.73 56.56 1joq s ARG 87 Cb 0.00 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.51 1joq s ARG 87 CO 0.00 -1.32 0.64 0.20 0.02 0.00 0.00 175.30 174.84 1joq s GLY 88 N -2.21 2.46 -0.26 -3.53 0.00 -0.82 -2.14 107.32 100.83 1joq s GLY 88 Ca 0.71 -0.00 -0.09 0.00 0.00 0.00 0.00 44.72 45.34 1joq s GLY 88 CO 0.39 1.12 0.11 1.08 0.00 0.00 0.00 173.10 175.80 1joq s LEU 89 N 0.97 3.67 0.08 0.66 1.43 -0.83 -2.32 118.68 122.35 1joq s LEU 89 Ca 0.34 -0.19 -0.27 0.00 -1.03 0.00 0.00 54.13 52.98 1joq s LEU 89 Cb -0.17 -1.99 0.09 0.00 0.03 0.00 0.00 46.19 44.15 1joq s LEU 89 CO 0.15 -0.06 1.10 0.00 0.23 0.00 0.00 176.35 177.77 1joq s ALA 90 N 1.66 -1.90 -0.26 4.21 0.00 -1.26 -4.37 121.76 119.84 1joq s ALA 90 Ca 0.06 0.37 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1joq s ALA 90 Cb -0.16 0.52 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 1joq s ALA 90 CO 0.06 -1.05 0.65 0.71 0.00 0.00 0.00 175.76 176.13 1joq s TYR 91 N -2.93 3.27 0.20 0.00 2.02 -0.74 -4.25 117.35 114.92 1joq s TYR 91 Ca 0.13 0.80 -0.24 0.00 -0.37 0.00 0.00 57.07 57.39 1joq s TYR 91 Cb 0.01 -2.89 -0.08 0.00 -0.40 0.00 0.00 41.96 38.60 1joq s TYR 91 CO -0.00 -0.36 0.79 0.42 -1.57 0.00 0.00 175.55 174.83 1joq s ILE 92 N 2.56 4.38 -0.07 2.71 1.01 -1.26 -1.53 121.20 128.99 1joq s ILE 92 Ca 0.27 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.56 1joq s ILE 92 Cb -0.15 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.27 1joq s ILE 92 CO 0.09 0.40 -0.08 -0.31 0.00 0.00 0.00 174.94 175.04 1joq s TYR 93 N -1.30 1.20 -0.10 3.97 2.02 -0.46 -1.96 117.35 120.72 1joq s TYR 93 Ca 0.39 -0.47 0.02 0.00 -0.37 0.00 0.00 57.07 56.64 1joq s TYR 93 Cb -0.21 -0.98 0.01 0.00 -0.40 0.00 0.00 41.96 40.38 1joq s TYR 93 CO 0.25 -0.32 -0.15 0.00 -1.57 0.00 0.00 175.55 173.75 1joq s ALA 94 N 1.13 1.67 -0.37 3.71 0.00 -0.37 -2.50 121.76 125.03 1joq s ALA 94 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.19 1joq s ALA 94 Cb -0.14 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.18 1joq s ALA 94 CO -0.01 -0.03 0.00 -0.25 0.00 0.00 0.00 175.76 175.47 1joq n ASP 95 N 4.10 -4.53 0.00 0.00 9.92 -1.21 -2.04 116.55 122.80 1joq n ASP 95 Ca -0.19 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.15 1joq n ASP 95 Cb 0.51 -2.34 0.00 0.00 -0.64 0.00 0.00 41.12 38.66 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 -1.09 0.68 3.29 0.44 0.00 -1.26 -5.07 105.19 102.18 1joq n GLY 96 Ca -0.04 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.01 1.15 -0.68 1.61 2.20 -0.87 -5.08 119.74 117.07 1joq s LYS 97 Ca 0.00 -1.18 -0.26 0.00 -0.36 0.00 0.00 55.97 54.17 1joq s LYS 97 Cb 0.00 -1.42 0.04 0.00 -1.51 0.00 0.00 37.83 34.93 1joq s LYS 97 CO 0.00 0.33 1.17 1.41 -0.36 0.00 0.00 175.35 177.90 1joq s MET 98 N -1.95 3.25 0.38 4.03 -2.45 -1.26 -1.23 119.30 120.07 1joq s MET 98 Ca 0.07 -0.27 0.18 0.00 -1.25 0.00 0.00 55.69 54.42 1joq s MET 98 Cb -0.10 -4.15 1.09 0.00 1.25 0.00 0.00 34.83 32.93 1joq s MET 98 CO 0.04 -1.93 1.74 0.28 1.05 0.00 0.00 175.02 176.20 1joq h VAL 99 N 6.04 0.46 -0.11 10.11 2.07 -1.74 0.17 116.25 133.26 1joq h VAL 99 Ca -0.27 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.15 1joq h VAL 99 Cb 1.06 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1joq h VAL 99 CO 1.23 0.07 -0.13 0.78 0.02 0.00 0.00 177.57 179.54 1joq h ASN 100 N 0.39 -0.40 0.82 0.57 4.21 -1.90 0.11 115.58 119.39 1joq h ASN 100 Ca 0.64 0.07 0.00 0.00 1.21 0.00 0.00 56.30 58.23 1joq h ASN 100 Cb 1.58 0.19 0.00 0.00 -1.12 0.00 0.00 38.32 38.97 1joq h ASN 100 CO -0.37 -0.17 0.00 -0.08 -1.29 0.00 0.00 177.43 175.52 1joq h GLU 101 N -0.16 0.00 -0.29 0.81 4.81 -1.11 -2.71 114.58 115.93 1joq h GLU 101 Ca 0.08 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 1joq h GLU 101 Cb 0.28 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1joq h GLU 101 CO -0.21 0.00 -0.46 0.00 -0.73 0.00 0.00 179.01 177.61 1joq h ALA 102 N 2.06 0.44 0.03 2.92 0.00 0.53 -1.66 119.26 123.58 1joq h ALA 102 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1joq h ALA 102 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1joq h ALA 102 CO 0.00 0.60 -0.01 -0.07 0.00 0.00 0.00 179.25 179.76 1joq h LEU 103 N 0.59 -0.03 -1.03 0.00 3.38 -1.04 -2.33 115.31 114.85 1joq h LEU 103 Ca 0.02 -0.58 0.12 0.00 0.09 0.00 0.00 57.88 57.53 1joq h LEU 103 Cb 1.07 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 1joq h LEU 103 CO 0.11 0.59 0.63 0.58 0.09 0.00 0.00 178.44 180.43 1joq h VAL 104 N -0.67 0.91 -0.39 1.22 2.07 -1.56 0.13 116.25 117.96 1joq h VAL 104 Ca -0.00 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1joq h VAL 104 Cb 0.61 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1joq h VAL 104 CO 0.01 0.18 -0.10 -0.09 0.02 0.00 0.00 177.57 177.59 1joq h ARG 105 N 0.97 0.68 -0.08 1.57 9.65 -1.28 -1.54 114.38 124.35 1joq h ARG 105 Ca 0.50 -0.21 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 1joq h ARG 105 Cb 0.51 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.03 1joq h ARG 105 CO -0.26 0.76 0.00 0.94 2.80 0.00 0.00 179.97 184.21 1joq n GLN 106 N -4.18 1.35 -3.64 0.20 7.27 0.23 -4.85 117.38 113.75 1joq n GLN 106 Ca 0.01 -0.52 -0.22 0.00 0.07 0.00 0.00 57.00 56.34 1joq n GLN 106 Cb 0.34 -1.34 0.05 0.00 2.41 0.00 0.00 30.24 31.70 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 0.96 -0.37 0.08 1.69 0.00 -0.01 -4.65 105.19 102.88 1joq n GLY 107 Ca 0.15 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.39 0.66 -3.87 0.99 4.77 -0.81 -3.49 117.00 110.88 1joq n LEU 108 Ca -0.21 -0.61 -0.09 0.00 -0.03 0.00 0.00 56.01 55.07 1joq n LEU 108 Cb 0.64 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 1joq n LEU 108 CO 0.67 0.15 -0.11 0.00 -1.33 0.00 0.00 177.39 176.76 1joq s ALA 109 N -1.49 -0.22 0.12 -1.18 0.00 -1.26 -4.40 121.76 113.34 1joq s ALA 109 Ca 0.04 -0.58 0.07 0.00 0.00 0.00 0.00 51.96 51.49 1joq s ALA 109 Cb 0.06 0.43 -0.04 0.00 0.00 0.00 0.00 23.12 23.57 1joq s ALA 109 CO 0.26 -0.47 -0.06 0.15 0.00 0.00 0.00 175.76 175.64 1joq s LYS 110 N -3.60 2.25 -0.05 0.00 1.02 -1.02 -4.61 119.74 113.73 1joq s LYS 110 Ca 0.03 -1.02 -0.30 0.00 0.02 0.00 0.00 55.97 54.70 1joq s LYS 110 Cb 0.04 -2.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1joq s LYS 110 CO -0.10 0.50 1.07 0.08 -0.92 0.00 0.00 175.35 175.99 1joq s VAL 111 N -1.35 4.59 0.05 3.17 1.01 -1.26 -0.92 120.40 125.68 1joq s VAL 111 Ca 0.23 1.87 -0.04 0.00 0.00 0.00 0.00 61.98 64.04 1joq s VAL 111 Cb -0.11 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.09 1joq s VAL 111 CO 0.16 0.05 0.22 0.00 0.00 0.00 0.00 175.10 175.52 1joq n ALA 112 N 4.70 -0.55 -2.67 5.51 0.00 -0.64 -4.91 120.51 121.95 1joq n ALA 112 Ca 0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1joq n ALA 112 Cb 0.48 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.15 -3.63 -4.52 0.00 4.01 -1.26 -3.39 117.16 108.22 1joq n TYR 113 Ca -0.01 1.57 -0.33 0.00 -0.16 0.00 0.00 57.90 58.98 1joq n TYR 113 Cb 0.13 -3.88 -0.16 0.00 -0.31 0.00 0.00 39.34 35.12 1joq n TYR 113 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1joq s VAL 114 N -1.78 2.12 -0.42 -0.72 1.01 -1.26 -3.96 120.40 115.39 1joq s VAL 114 Ca 0.06 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1joq s VAL 114 Cb -0.02 -1.86 0.17 0.00 0.00 0.00 0.00 36.38 34.68 1joq s VAL 114 CO 0.73 0.54 0.36 -1.22 0.00 0.00 0.00 175.10 175.51 1joq n TYR 115 N 4.21 -0.75 -0.98 5.22 4.01 -1.26 -5.09 117.16 122.51 1joq n TYR 115 Ca -0.20 -3.35 -0.35 0.00 -0.16 0.00 0.00 57.90 53.83 1joq n TYR 115 Cb 0.51 0.20 0.07 0.00 -0.31 0.00 0.00 39.34 39.81 1joq n TYR 115 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1joq n LYS 116 N 2.72 -0.06 -0.24 -0.72 5.02 -1.26 -2.12 118.16 121.49 1joq n LYS 116 Ca 0.29 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.54 1joq n LYS 116 Cb 0.48 -1.37 0.04 0.00 -0.02 0.00 0.00 35.03 34.16 1joq n LYS 116 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1joq n PRO 117 N 0.70 1.26 -1.61 1.97 -0.04 -1.26 -4.99 135.00 131.03 1joq n PRO 117 Ca 0.03 -0.60 -0.38 0.00 -0.04 0.00 0.00 63.50 62.52 1joq n PRO 117 Cb 0.54 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.17 8.17 -0.96 3.54 3.02 -0.90 -4.32 115.26 123.98 1joq n ASN 118 Ca 0.12 -2.86 0.05 0.00 -0.03 0.00 0.00 54.58 51.86 1joq n ASN 118 Cb 0.73 -1.45 0.13 0.00 -0.61 0.00 0.00 39.78 38.58 1joq n ASN 118 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1joq n ASN 119 N 2.55 1.42 -0.26 6.41 3.02 -1.26 -4.62 115.26 122.52 1joq n ASN 119 Ca 0.68 -3.12 0.11 0.00 -0.03 0.00 0.00 54.58 52.23 1joq n ASN 119 Cb 0.29 -0.43 0.37 0.00 -0.61 0.00 0.00 39.78 39.40 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1joq h THR 120 N 3.47 0.86 -0.82 3.41 2.02 -2.02 -2.49 112.91 117.36 1joq h THR 120 Ca -0.09 -0.24 -0.48 0.00 0.77 0.00 0.00 66.41 66.36 1joq h THR 120 Cb 1.37 0.10 -0.42 0.00 -1.74 0.00 0.00 68.15 67.45 1joq h THR 120 CO 0.04 0.13 -0.89 1.41 0.37 0.00 0.00 175.52 176.58 1joq n HIS 121 N -4.55 2.47 0.13 3.16 8.25 -1.26 -4.84 115.22 118.58 1joq n HIS 121 Ca 0.16 -2.37 -0.08 0.00 -0.26 0.00 0.00 57.72 55.17 1joq n HIS 121 Cb 0.44 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 1joq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1joq h GLU 122 N 2.37 -0.39 -0.97 -0.41 4.81 -1.77 -3.05 114.58 115.17 1joq h GLU 122 Ca 0.23 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.63 1joq h GLU 122 Cb 1.37 0.09 -0.08 0.00 0.63 0.00 0.00 28.75 30.76 1joq h GLU 122 CO 0.64 -0.15 0.61 1.96 -0.73 0.00 0.00 179.01 181.35 1joq h GLN 123 N -1.05 0.85 0.02 1.92 4.20 -1.88 -1.16 115.11 118.00 1joq h GLN 123 Ca -0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1joq h GLN 123 Cb 0.42 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1joq h GLN 123 CO 0.07 0.56 -0.11 1.25 -0.67 0.00 0.00 178.83 179.93 1joq h LEU 124 N 0.87 -0.34 -2.62 1.46 7.12 -1.90 0.65 115.31 120.54 1joq h LEU 124 Ca 0.49 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.54 1joq h LEU 124 Cb 0.61 0.13 -0.00 0.00 -0.53 0.00 0.00 40.66 40.86 1joq h LEU 124 CO -0.26 -0.12 0.11 -0.07 -0.13 0.00 0.00 178.44 177.98 1joq h LEU 125 N -0.16 0.00 0.00 2.25 3.38 -1.37 -1.96 115.31 117.46 1joq h LEU 125 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1joq h LEU 125 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1joq h LEU 125 CO -0.06 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.33 1joq n ARG 126 N -3.12 0.00 -0.19 1.13 3.00 0.11 -1.73 116.66 115.85 1joq n ARG 126 Ca -0.02 0.44 0.19 0.00 -0.00 0.00 0.00 57.85 58.45 1joq n ARG 126 Cb 0.18 -1.26 0.54 0.00 0.00 0.00 0.00 32.46 31.92 1joq n ARG 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.63 179.20 1joq h LYS 127 N 0.00 0.34 -0.18 -0.14 2.10 -1.12 -0.43 116.57 117.15 1joq h LYS 127 Ca 0.00 -0.02 0.02 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 127 Cb 0.00 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.23 1joq h LYS 127 CO 0.00 0.22 0.05 0.66 -2.00 0.00 0.00 179.45 178.38 1joq h SER 128 N 0.35 0.05 -0.16 7.07 4.64 -1.35 -1.41 113.55 122.74 1joq h SER 128 Ca 0.41 0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.73 1joq h SER 128 Cb 1.08 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1joq h SER 128 CO -0.13 0.05 0.05 -0.08 -0.87 0.00 0.00 176.83 175.85 1joq h GLU 129 N 0.13 0.34 -0.78 4.77 4.57 -0.22 -2.06 114.58 121.33 1joq h GLU 129 Ca 0.08 -0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1joq h GLU 129 Cb 0.05 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 1joq h GLU 129 CO -0.09 0.33 0.50 0.00 -1.18 0.00 0.00 179.01 178.58 1joq h ALA 130 N 1.72 1.03 -0.42 2.92 0.00 -0.77 -0.86 119.26 122.88 1joq h ALA 130 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1joq h ALA 130 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1joq h ALA 130 CO -0.00 0.33 -0.05 0.37 0.00 0.00 0.00 179.25 179.90 1joq h GLN 131 N 0.99 0.77 0.00 0.00 5.75 -0.97 -1.90 115.11 119.76 1joq h GLN 131 Ca 0.31 -0.27 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1joq h GLN 131 Cb -0.01 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1joq h GLN 131 CO -0.10 0.87 0.00 0.00 -2.65 0.00 0.00 178.83 176.95 1joq h ALA 132 N 0.87 1.00 0.10 3.38 0.00 -1.00 -2.12 119.26 121.49 1joq h ALA 132 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1joq h ALA 132 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1joq h ALA 132 CO 0.03 0.00 -0.81 -0.22 0.00 0.00 0.00 179.25 178.25 1joq h LYS 133 N 0.00 0.20 0.00 0.00 3.64 -0.39 -2.49 116.57 117.53 1joq h LYS 133 Ca 0.00 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1joq h LYS 133 Cb 0.17 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1joq h LYS 133 CO 0.00 1.16 -0.09 1.57 -2.27 0.00 0.00 179.45 179.82 1joq h LYS 134 N -0.54 0.00 0.00 1.90 2.10 -1.03 -1.76 116.57 117.24 1joq h LYS 134 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 1joq h LYS 134 Cb 1.51 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.84 1joq h LYS 134 CO 0.07 0.09 -0.76 0.39 -2.00 0.00 0.00 179.45 177.24 1joq n GLU 135 N -3.37 0.29 -3.44 0.07 -0.58 -0.83 -4.98 120.64 107.80 1joq n GLU 135 Ca -0.01 0.06 -0.21 0.00 -0.42 0.00 0.00 57.16 56.58 1joq n GLU 135 Cb 0.27 -1.65 0.05 0.00 -0.57 0.00 0.00 31.44 29.53 1joq n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1joq n LYS 136 N -2.06 -1.64 -2.89 3.49 5.02 -0.66 -4.88 118.16 114.54 1joq n LYS 136 Ca 0.03 0.77 -0.43 0.00 -2.02 0.00 0.00 58.31 56.66 1joq n LYS 136 Cb 0.44 -4.91 -0.04 0.00 -0.02 0.00 0.00 35.03 30.50 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 -5.64 4.55 0.00 -0.35 1.43 -1.15 -4.43 118.68 113.10 1joq s LEU 137 Ca 0.38 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 1joq s LEU 137 Cb -0.10 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.72 1joq s LEU 137 CO 0.80 -1.37 0.00 0.59 0.23 0.00 0.00 176.35 176.60 1joq n ASN 138 N 7.46 0.00 -0.36 2.29 3.02 -1.26 -3.29 115.26 123.11 1joq n ASN 138 Ca -0.02 0.00 0.34 0.00 -0.03 0.00 0.00 54.58 54.87 1joq n ASN 138 Cb 0.45 0.00 0.60 0.00 -0.61 0.00 0.00 39.78 40.23 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 -0.35 -0.82 2.41 5.41 -1.23 0.90 119.36 125.67 1joq n ILE 139 Ca 0.00 1.91 -0.11 0.00 1.00 0.00 0.00 62.75 65.54 1joq n ILE 139 Cb 0.00 -3.11 -0.01 0.00 -0.71 0.00 0.00 39.64 35.81 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 -5.02 0.81 -0.03 1.39 7.02 -1.21 -3.97 117.44 116.43 1joq n TRP 140 Ca 0.38 -1.56 0.05 0.00 -1.02 0.00 0.00 57.50 55.35 1joq n TRP 140 Cb 1.35 -0.91 -0.15 0.00 -2.42 0.00 0.00 31.31 29.18 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 1.06 0.39 -3.23 -0.99 7.64 0.26 -3.93 113.62 114.82 1joq n SER 141 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 1joq n SER 141 Cb 0.58 1.69 0.00 0.00 -1.01 0.00 0.00 64.21 65.47 1joq n SER 141 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1joq n GLU 142 N -2.32 0.49 -3.92 1.43 1.02 -1.25 -5.09 120.64 110.99 1joq n GLU 142 Ca -0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.94 1joq n GLU 142 Cb 0.67 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.08 1joq n GLU 142 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1joq s ASP 143 N -1.49 0.23 -0.90 1.62 2.15 -1.26 -5.09 116.67 111.93 1joq s ASP 143 Ca 0.00 -1.15 -0.01 0.00 0.43 0.00 0.00 52.55 51.82 1joq s ASP 143 Cb 0.00 0.75 0.26 0.00 -0.30 0.00 0.00 42.92 43.62 1joq s ASP 143 CO 0.00 -1.46 0.99 -3.20 -0.17 0.00 0.00 175.17 171.32 1joq n ASN 144 N -1.16 4.78 0.00 -0.34 5.15 -1.26 -4.65 115.26 117.78 1joq n ASN 144 Ca -0.04 -3.29 0.00 0.00 -0.60 0.00 0.00 54.58 50.65 1joq n ASN 144 Cb 0.61 -1.03 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1joq n ALA 145 N 1.67 2.17 -1.11 5.20 0.00 -1.26 -4.88 120.51 122.29 1joq n ALA 145 Ca 0.25 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.49 1joq n ALA 145 Cb 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.82 1joq n ALA 145 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1joq n ASP 146 N -2.39 6.46 -0.90 0.00 -0.08 -1.26 -3.85 116.55 114.52 1joq n ASP 146 Ca 0.00 -3.11 -0.02 0.00 -1.51 0.00 0.00 54.79 50.14 1joq n ASP 146 Cb 0.00 -1.13 -0.03 0.00 2.34 0.00 0.00 41.12 42.30 1joq n ASP 146 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1joq n SER 147 N 0.57 -0.28 0.00 1.67 2.88 -1.26 -5.02 113.62 112.19 1joq n SER 147 Ca 0.38 -1.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.19 1joq n SER 147 Cb 0.58 0.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.10 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1joq n GLY 148 N 0.09 -1.55 0.00 0.46 0.00 -1.25 -5.14 105.19 97.79 1joq n GLY 148 Ca -0.12 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1joq n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93