#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 -1.58 0.00 5.66 -1.26 -4.95 114.28 112.15 1joq n THR 2 Ca 0.00 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.06 1joq n THR 2 Cb 0.00 0.00 0.11 0.00 -1.55 0.00 0.00 70.33 68.89 1joq n THR 2 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1joq n SER 3 N -1.57 1.48 -4.71 1.09 2.88 -1.26 -5.04 113.62 106.49 1joq n SER 3 Ca 0.00 -2.87 -0.42 0.00 -1.33 0.00 0.00 58.87 54.25 1joq n SER 3 Cb 0.00 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.05 1joq n SER 3 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1joq s THR 4 N -1.91 4.87 0.00 2.46 -4.23 -1.26 -5.04 115.64 110.52 1joq s THR 4 Ca 0.26 2.05 0.00 0.00 -1.18 0.00 0.00 61.69 62.82 1joq s THR 4 Cb 0.25 -4.31 0.00 0.00 1.34 0.00 0.00 72.50 69.77 1joq s THR 4 CO -0.02 0.15 0.00 0.29 -0.54 0.00 0.00 174.62 174.50 1joq n LYS 5 N 3.95 1.38 0.00 3.99 4.01 -1.26 -5.15 118.16 125.08 1joq n LYS 5 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 1joq n LYS 5 Cb 0.51 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.03 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 -0.66 2.97 -0.01 1.97 5.02 -1.26 -5.14 118.16 121.04 1joq n LYS 6 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1joq n LYS 6 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1joq n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1joq n LEU 7 N 0.00 0.00 -4.11 -0.35 4.77 -1.26 -4.98 117.00 111.07 1joq n LEU 7 Ca 0.00 -0.01 -0.37 0.00 -0.03 0.00 0.00 56.01 55.60 1joq n LEU 7 Cb 0.00 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1joq n LEU 7 CO 0.00 -0.97 0.03 -1.38 -1.33 0.00 0.00 177.39 173.74 1joq s HIS 8 N -1.02 3.45 0.37 -1.77 -3.43 -1.26 -5.07 115.29 106.55 1joq s HIS 8 Ca 0.01 -2.62 -0.25 0.00 -0.80 0.00 0.00 55.06 51.39 1joq s HIS 8 Cb -0.00 -3.24 -0.09 0.00 -1.43 0.00 0.00 32.58 27.82 1joq s HIS 8 CO 0.01 -0.87 1.08 0.15 -2.00 0.00 0.00 174.74 173.11 1joq s LYS 9 N 0.15 4.24 0.32 -0.38 1.02 -1.26 -4.22 119.74 119.60 1joq s LYS 9 Ca 0.15 1.64 0.03 0.00 0.02 0.00 0.00 55.97 57.81 1joq s LYS 9 Cb -0.20 -2.71 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 1joq s LYS 9 CO -0.04 -0.10 0.09 -1.21 -0.92 0.00 0.00 175.35 173.18 1joq s GLU 10 N -2.22 1.62 0.70 1.68 8.01 -0.60 -4.94 118.70 122.94 1joq s GLU 10 Ca 0.55 -1.91 -0.09 0.00 0.01 0.00 0.00 54.97 53.52 1joq s GLU 10 Cb -0.26 -0.55 0.04 0.00 -4.31 0.00 0.00 34.13 29.05 1joq s GLU 10 CO 0.33 -0.30 1.05 -1.25 0.01 0.00 0.00 175.26 175.09 1joq s PRO 11 N -3.90 2.55 0.06 0.39 0.04 -1.26 -0.78 135.00 132.10 1joq s PRO 11 Ca 0.35 0.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.23 1joq s PRO 11 Cb 0.07 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.59 1joq s PRO 11 CO 0.15 -1.11 0.92 0.00 0.04 0.00 0.00 177.00 177.00 1joq s ALA 12 N -3.28 -1.76 0.18 8.56 0.00 0.93 -4.39 121.76 121.99 1joq s ALA 12 Ca 0.58 0.64 0.07 0.00 0.00 0.00 0.00 51.96 53.26 1joq s ALA 12 Cb -0.11 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1joq s ALA 12 CO 0.48 -0.84 -0.14 0.99 0.00 0.00 0.00 175.76 176.25 1joq s THR 13 N -3.19 1.59 -0.61 0.00 2.01 -0.64 -4.18 115.64 110.62 1joq s THR 13 Ca 0.08 -2.08 -0.23 0.00 0.31 0.00 0.00 61.69 59.77 1joq s THR 13 Cb -0.01 -1.91 0.06 0.00 0.01 0.00 0.00 72.50 70.64 1joq s THR 13 CO -0.05 -0.56 0.95 -0.22 -0.69 0.00 0.00 174.62 174.05 1joq s LEU 14 N -3.09 4.23 -0.17 4.42 1.98 -1.26 -1.22 118.68 123.58 1joq s LEU 14 Ca 0.19 -0.68 -0.17 0.00 -2.89 0.00 0.00 54.13 50.57 1joq s LEU 14 Cb -0.01 -2.60 -0.14 0.00 0.66 0.00 0.00 46.19 44.09 1joq s LEU 14 CO 0.05 -1.34 0.19 0.40 -1.89 0.00 0.00 176.35 173.76 1joq h ILE 15 N 5.99 0.74 -0.30 6.68 2.04 -1.47 -3.47 117.51 127.73 1joq h ILE 15 Ca -0.28 -1.78 0.24 0.00 1.00 0.00 0.00 64.86 64.04 1joq h ILE 15 Cb 1.07 1.63 -0.21 0.00 -0.74 0.00 0.00 36.82 38.57 1joq h ILE 15 CO 1.13 0.25 0.15 -0.75 0.00 0.00 0.00 178.15 178.94 1joq s LYS 16 N -2.22 0.17 0.36 2.37 2.36 -0.85 -5.01 119.74 116.92 1joq s LYS 16 Ca -0.21 0.30 -0.28 0.00 -2.55 0.00 0.00 55.97 53.24 1joq s LYS 16 Cb 0.03 0.17 -0.10 0.00 -1.05 0.00 0.00 37.83 36.87 1joq s LYS 16 CO 0.45 -0.18 1.38 0.00 1.55 0.00 0.00 175.35 178.55 1joq s ALA 17 N 2.96 3.48 0.00 3.13 0.00 -1.26 -2.06 121.76 128.01 1joq s ALA 17 Ca -0.02 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1joq s ALA 17 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1joq s ALA 17 CO -0.10 -0.85 0.00 -0.89 0.00 0.00 0.00 175.76 173.91 1joq n ILE 18 N 0.53 0.00 -2.03 0.00 5.41 -0.72 -4.87 119.36 117.68 1joq n ILE 18 Ca 0.01 0.40 0.00 0.00 1.00 0.00 0.00 62.75 64.16 1joq n ILE 18 Cb 0.41 -1.39 0.00 0.00 -0.71 0.00 0.00 39.64 37.95 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 -2.44 0.05 0.03 4.38 8.00 -0.59 -4.88 116.55 121.11 1joq n ASP 19 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1joq n ASP 19 Cb 0.00 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.27 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 4.52 -1.30 0.00 0.44 0.00 -1.25 -4.18 105.19 103.43 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 -1.82 0.68 -4.40 1.61 9.92 -1.26 -4.55 116.55 116.72 1joq n ASP 21 Ca 0.04 -0.31 -0.33 0.00 -0.53 0.00 0.00 54.79 53.66 1joq n ASP 21 Cb 0.39 0.76 -0.14 0.00 -0.64 0.00 0.00 41.12 41.50 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1joq s THR 22 N -0.90 2.94 -0.18 -3.53 2.01 -1.26 -2.01 115.64 112.71 1joq s THR 22 Ca 0.00 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.15 1joq s THR 22 Cb 0.00 -2.18 0.06 0.00 0.01 0.00 0.00 72.50 70.38 1joq s THR 22 CO 0.00 0.56 0.45 0.68 -0.69 0.00 0.00 174.62 175.62 1joq s VAL 23 N -0.13 -0.01 -0.15 3.82 -7.23 -1.02 -1.54 120.40 114.14 1joq s VAL 23 Ca -0.02 0.05 -0.24 0.00 -1.81 0.00 0.00 61.98 59.97 1joq s VAL 23 Cb -0.14 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 1joq s VAL 23 CO 0.04 0.02 0.74 -0.54 -0.31 0.00 0.00 175.10 175.05 1joq s LYS 24 N 1.04 4.31 0.10 4.82 1.02 -0.87 -1.84 119.74 128.32 1joq s LYS 24 Ca -0.06 0.87 0.06 0.00 0.02 0.00 0.00 55.97 56.85 1joq s LYS 24 Cb -0.06 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.67 1joq s LYS 24 CO -0.09 -0.20 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.49 1joq s LEU 25 N 1.71 2.36 -0.26 3.17 1.43 -0.83 -1.18 118.68 125.09 1joq s LEU 25 Ca 0.35 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.45 1joq s LEU 25 Cb -0.17 -0.57 0.00 0.00 0.03 0.00 0.00 46.19 45.49 1joq s LEU 25 CO 0.13 -0.11 0.92 -0.32 0.23 0.00 0.00 176.35 177.20 1joq s MET 26 N -2.33 4.16 -0.06 1.70 -2.45 -0.36 -2.45 119.30 117.52 1joq s MET 26 Ca 0.05 1.03 0.02 0.00 -1.25 0.00 0.00 55.69 55.54 1joq s MET 26 Cb -0.07 -3.67 0.02 0.00 1.25 0.00 0.00 34.83 32.36 1joq s MET 26 CO 0.03 -0.63 -0.09 -0.47 1.05 0.00 0.00 175.02 174.91 1joq s TYR 27 N 3.08 1.14 0.00 4.11 6.14 -0.61 -1.62 117.35 129.58 1joq s TYR 27 Ca 0.39 -0.39 0.00 0.00 0.64 0.00 0.00 57.07 57.71 1joq s TYR 27 Cb -0.15 -0.89 0.00 0.00 0.42 0.00 0.00 41.96 41.35 1joq s TYR 27 CO 0.09 -0.24 0.00 1.63 0.64 0.00 0.00 175.55 177.67 1joq n LYS 28 N 3.92 -1.43 0.00 4.97 4.76 -1.26 -1.44 118.16 127.68 1joq n LYS 28 Ca -0.24 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 1joq n LYS 28 Cb 0.51 -4.50 0.00 0.00 -1.84 0.00 0.00 35.03 29.21 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1joq n GLY 29 N -0.08 1.82 3.63 0.72 0.00 -1.26 -5.05 105.19 104.97 1joq n GLY 29 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1joq n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1joq s GLN 30 N -0.96 2.80 0.15 1.61 -2.07 -0.52 -5.08 119.66 115.59 1joq s GLN 30 Ca 0.00 -0.53 -0.30 0.00 -1.82 0.00 0.00 55.36 52.71 1joq s GLN 30 Cb 0.00 -2.65 -0.07 0.00 -1.09 0.00 0.00 33.01 29.19 1joq s GLN 30 CO 0.00 0.67 1.15 -1.25 -1.32 0.00 0.00 175.29 174.54 1joq s PRO 31 N -1.00 4.52 -0.12 9.60 0.04 -1.26 -1.57 135.00 145.22 1joq s PRO 31 Ca 0.14 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 1joq s PRO 31 Cb -0.11 -3.28 0.03 0.00 0.04 0.00 0.00 34.50 31.18 1joq s PRO 31 CO 0.03 -0.05 0.32 1.41 0.04 0.00 0.00 177.00 178.75 1joq s MET 32 N 0.01 0.38 -0.16 4.56 1.75 -1.02 -4.95 119.30 119.87 1joq s MET 32 Ca 0.53 0.42 -0.23 0.00 -1.25 0.00 0.00 55.69 55.16 1joq s MET 32 Cb -0.30 0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.53 1joq s MET 32 CO 0.34 -0.05 0.70 -0.08 -0.65 0.00 0.00 175.02 175.28 1joq s THR 33 N 0.12 4.99 0.19 10.11 -1.32 -1.26 -1.96 115.64 126.50 1joq s THR 33 Ca -0.00 1.36 0.06 0.00 -1.21 0.00 0.00 61.69 61.89 1joq s THR 33 Cb -0.02 -4.02 -0.04 0.00 -1.51 0.00 0.00 72.50 66.91 1joq s THR 33 CO 0.01 0.12 0.13 -0.36 -2.21 0.00 0.00 174.62 172.31 1joq s PHE 34 N 1.71 3.10 -0.07 9.09 0.40 -0.77 -1.01 117.98 130.42 1joq s PHE 34 Ca 0.33 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.61 1joq s PHE 34 Cb -0.16 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 41.92 1joq s PHE 34 CO 0.12 0.52 -0.07 0.50 0.70 0.00 0.00 175.22 177.00 1joq s ARG 35 N -3.25 1.22 0.11 0.44 6.06 -0.69 -2.44 118.95 120.41 1joq s ARG 35 Ca 0.31 -0.19 -0.35 0.00 -2.50 0.00 0.00 55.73 53.00 1joq s ARG 35 Cb -0.09 -1.23 -0.17 0.00 0.06 0.00 0.00 34.95 33.52 1joq s ARG 35 CO 0.23 -0.15 1.14 1.28 -2.50 0.00 0.00 175.30 175.31 1joq n LEU 36 N 4.44 1.01 -4.88 -0.88 4.77 -0.85 -4.28 117.00 116.33 1joq n LEU 36 Ca -0.18 1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 56.63 1joq n LEU 36 Cb 0.51 -1.12 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 1joq n LEU 36 CO 0.20 -1.49 0.25 -0.76 -1.33 0.00 0.00 177.39 174.25 1joq s LEU 37 N 0.65 4.09 -1.76 2.23 1.43 -1.26 -4.02 118.68 120.04 1joq s LEU 37 Ca 0.80 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1joq s LEU 37 Cb -0.98 -3.70 0.00 0.00 0.03 0.00 0.00 46.19 41.55 1joq s LEU 37 CO 0.52 -0.15 0.00 0.18 0.23 0.00 0.00 176.35 177.13 1joq n LEU 38 N -0.50 -1.12 -3.66 1.79 4.77 -1.23 -4.94 117.00 112.11 1joq n LEU 38 Ca 0.00 0.41 -0.07 0.00 -0.03 0.00 0.00 56.01 56.32 1joq n LEU 38 Cb 0.53 -2.56 -0.08 0.00 -2.33 0.00 0.00 43.42 38.98 1joq n LEU 38 CO 0.46 -0.96 0.08 0.68 -1.33 0.00 0.00 177.39 176.32 1joq s VAL 39 N -2.53 -0.69 -0.19 4.08 -7.23 -1.20 -2.28 120.40 110.36 1joq s VAL 39 Ca 0.00 0.13 -0.05 0.00 -1.81 0.00 0.00 61.98 60.25 1joq s VAL 39 Cb 0.00 -0.74 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 1joq s VAL 39 CO 0.00 0.05 -0.01 1.51 -0.31 0.00 0.00 175.10 176.34 1joq s ASP 40 N 2.62 4.83 1.12 4.85 -4.77 -0.74 -4.70 116.67 119.88 1joq s ASP 40 Ca -0.03 -0.18 -0.14 0.00 -3.30 0.00 0.00 52.55 48.91 1joq s ASP 40 Cb -0.12 -1.81 0.25 0.00 -1.09 0.00 0.00 42.92 40.15 1joq s ASP 40 CO -0.14 0.10 1.06 0.42 0.70 0.00 0.00 175.17 177.30 1joq s THR 41 N 0.79 1.91 -1.32 2.11 -4.23 -1.26 -2.38 115.64 111.26 1joq s THR 41 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.35 1joq s THR 41 Cb -0.14 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.40 1joq s THR 41 CO 0.02 0.00 2.13 -0.81 -0.54 0.00 0.00 174.62 175.42 1joq n PRO 42 N -4.65 2.61 -3.09 3.99 -0.04 -1.22 -4.64 135.00 127.96 1joq n PRO 42 Ca 0.05 -2.52 -0.07 0.00 -0.04 0.00 0.00 63.50 60.92 1joq n PRO 42 Cb 0.57 -3.25 0.01 0.00 -0.04 0.00 0.00 33.50 30.79 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 6.49 -1.62 -3.30 0.54 2.13 -1.26 -4.79 120.64 118.83 1joq n GLU 43 Ca 0.51 1.56 -0.25 0.00 0.66 0.00 0.00 57.16 59.63 1joq n GLU 43 Cb 0.40 -2.79 -0.08 0.00 0.27 0.00 0.00 31.44 29.24 1joq n GLU 43 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1joq n THR 44 N 0.73 -0.43 -0.02 6.31 -2.24 -1.26 -4.73 114.28 112.65 1joq n THR 44 Ca -0.00 -4.01 -0.04 0.00 -2.27 0.00 0.00 64.05 57.73 1joq n THR 44 Cb 0.39 -1.90 -0.03 0.00 -2.10 0.00 0.00 70.33 66.69 1joq n THR 44 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1joq h LYS 45 N 4.55 -0.08 -4.86 -0.78 1.79 -2.00 -3.46 116.57 111.72 1joq h LYS 45 Ca 0.14 0.01 -0.36 0.00 -2.18 0.00 0.00 60.65 58.26 1joq h LYS 45 Cb 0.86 0.02 -0.24 0.00 -1.58 0.00 0.00 32.23 31.29 1joq h LYS 45 CO 0.48 0.16 -0.76 -1.01 -1.08 0.00 0.00 179.45 177.24 1joq s HIS 46 N -2.04 0.88 -0.52 -1.35 3.76 -1.26 -4.94 115.29 109.82 1joq s HIS 46 Ca -0.05 -0.38 -0.06 0.00 -0.15 0.00 0.00 55.06 54.42 1joq s HIS 46 Cb -0.00 -0.53 -0.14 0.00 1.11 0.00 0.00 32.58 33.02 1joq s HIS 46 CO 0.19 -0.01 3.23 -0.35 -0.85 0.00 0.00 174.74 176.95 1joq n PRO 47 N 1.84 2.63 -0.06 8.40 -0.04 -1.26 -4.40 135.00 142.12 1joq n PRO 47 Ca -0.19 -1.70 -0.06 0.00 -0.04 0.00 0.00 63.50 61.50 1joq n PRO 47 Cb 0.55 -2.24 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 1joq n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1joq n LYS 48 N 2.34 0.37 0.00 0.54 4.76 -1.26 -4.95 118.16 119.96 1joq n LYS 48 Ca 0.53 0.15 0.00 0.00 -2.87 0.00 0.00 58.31 56.12 1joq n LYS 48 Cb 0.66 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 1joq n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1joq n LYS 49 N -4.03 0.00 -0.02 1.97 4.01 -1.26 -5.15 118.16 113.68 1joq n LYS 49 Ca -0.10 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.70 1joq n LYS 49 Cb 0.37 -0.74 -0.00 0.00 -0.51 0.00 0.00 35.03 34.14 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1joq n GLY 50 N 2.77 -1.85 0.66 0.72 0.00 -1.26 -4.99 105.19 101.23 1joq n GLY 50 Ca 0.00 -1.50 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.31 0.00 0.00 1.61 0.31 -1.26 -5.04 118.33 111.64 1joq n VAL 51 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 1joq n VAL 51 Cb 0.01 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1joq n VAL 51 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1joq n GLU 52 N -1.25 5.58 0.06 5.55 0.28 -1.26 -4.23 120.64 125.36 1joq n GLU 52 Ca 0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.90 1joq n GLU 52 Cb 0.10 -0.55 -0.08 0.00 1.43 0.00 0.00 31.44 32.34 1joq n GLU 52 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1joq h LYS 53 N 0.00 -0.56 0.00 3.44 1.63 -1.99 -3.38 116.57 115.71 1joq h LYS 53 Ca 0.00 0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1joq h LYS 53 Cb 0.00 0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1joq h LYS 53 CO 0.00 -0.37 -0.32 0.66 -3.45 0.00 0.00 179.45 175.97 1joq n TYR 54 N -4.94 0.00 -1.39 1.91 4.01 -1.26 -5.06 117.16 110.43 1joq n TYR 54 Ca -0.06 -0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.37 1joq n TYR 54 Cb 0.33 0.06 -0.17 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.00 -0.46 0.00 2.72 0.00 -1.26 -4.84 105.19 101.35 1joq n GLY 55 Ca -0.00 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 6.68 1.08 -0.89 1.61 -0.04 -1.26 -5.01 135.00 137.17 1joq n PRO 56 Ca 0.62 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 64.00 1joq n PRO 56 Cb 0.07 0.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.74 1joq n PRO 56 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1joq n GLU 57 N -0.63 2.12 -0.13 0.54 1.02 -1.26 -4.64 120.64 117.66 1joq n GLU 57 Ca 0.00 -3.12 0.06 0.00 -0.02 0.00 0.00 57.16 54.08 1joq n GLU 57 Cb 0.00 -1.93 0.37 0.00 -0.02 0.00 0.00 31.44 29.87 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1joq h ALA 58 N 1.15 1.70 -0.15 0.62 0.00 -1.95 -0.84 119.26 119.79 1joq h ALA 58 Ca 0.31 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1joq h ALA 58 Cb 1.97 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 1joq h ALA 58 CO 0.57 0.21 -0.20 0.77 0.00 0.00 0.00 179.25 180.60 1joq h SER 59 N 0.70 -0.62 1.00 0.00 0.02 -1.82 0.23 113.55 113.06 1joq h SER 59 Ca 0.26 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1joq h SER 59 Cb 0.15 0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.98 1joq h SER 59 CO -0.08 -0.25 0.00 0.00 -1.14 0.00 0.00 176.83 175.37 1joq n ALA 60 N -2.67 1.89 0.34 3.77 0.00 -0.86 -2.20 120.51 120.78 1joq n ALA 60 Ca -0.02 0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1joq n ALA 60 Cb 0.26 -1.42 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 1joq n ALA 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1joq h PHE 61 N 0.00 -0.83 0.00 0.00 3.04 0.86 -2.58 116.94 117.44 1joq h PHE 61 Ca 0.00 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 1joq h PHE 61 Cb 0.50 0.27 -0.02 0.00 2.56 0.00 0.00 35.95 39.27 1joq h PHE 61 CO 0.00 -0.51 -0.54 1.15 -2.02 0.00 0.00 178.31 176.38 1joq h THR 62 N -1.17 1.25 0.62 4.41 2.02 -1.45 -2.37 112.91 116.22 1joq h THR 62 Ca -0.09 -1.95 -0.02 0.00 0.77 0.00 0.00 66.41 65.12 1joq h THR 62 Cb 0.68 2.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1joq h THR 62 CO 0.15 0.53 -0.42 0.50 0.37 0.00 0.00 175.52 176.65 1joq h LYS 63 N 0.00 -0.95 -0.12 6.66 3.64 -1.46 -1.79 116.57 122.55 1joq h LYS 63 Ca -0.01 0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1joq h LYS 63 Cb 1.05 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 33.07 1joq h LYS 63 CO 0.07 -0.64 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.07 1joq h LYS 64 N -0.99 0.24 0.00 1.90 1.63 -1.51 -1.08 116.57 116.76 1joq h LYS 64 Ca -0.08 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1joq h LYS 64 Cb 0.81 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.43 1joq h LYS 64 CO 0.05 0.54 0.00 -1.33 -3.45 0.00 0.00 179.45 175.26 1joq n MET 65 N -4.10 0.00 0.26 1.90 2.81 -0.89 -1.85 117.12 115.24 1joq n MET 65 Ca -0.01 0.24 0.17 0.00 -1.81 0.00 0.00 57.70 56.29 1joq n MET 65 Cb 0.41 -1.16 0.90 0.00 -0.71 0.00 0.00 33.22 32.67 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 0.42 -0.67 2.03 -1.51 -1.44 -0.26 116.25 114.81 1joq h VAL 66 Ca 0.00 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.49 1joq h VAL 66 Cb 0.00 0.91 -0.04 0.00 -2.13 0.00 0.00 31.29 30.03 1joq h VAL 66 CO 0.00 0.00 0.45 -0.33 -1.23 0.00 0.00 177.57 176.46 1joq h GLU 67 N 0.00 0.82 -0.02 5.19 5.08 -0.90 -1.87 114.58 122.88 1joq h GLU 67 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1joq h GLU 67 Cb 0.27 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1joq h GLU 67 CO -0.00 0.54 -0.14 0.09 -1.00 0.00 0.00 179.01 178.50 1joq n ASN 68 N -4.45 2.25 -4.63 1.42 3.02 -0.26 -4.93 115.26 107.68 1joq n ASN 68 Ca 0.08 -1.63 -0.43 0.00 -0.03 0.00 0.00 54.58 52.58 1joq n ASN 68 Cb 0.10 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 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 -1.76 3.18 0.25 5.41 0.00 -0.34 -4.84 121.76 123.66 1joq s ALA 69 Ca 0.19 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1joq s ALA 69 Cb 0.15 -3.93 0.29 0.00 0.00 0.00 0.00 23.12 19.63 1joq s ALA 69 CO 0.32 -2.14 1.59 0.87 0.00 0.00 0.00 175.76 176.40 1joq h LYS 70 N 12.31 0.24 -4.67 0.00 1.79 -1.91 -3.43 116.57 120.90 1joq h LYS 70 Ca -0.42 -0.15 -0.51 0.00 -2.18 0.00 0.00 60.65 57.39 1joq h LYS 70 Cb 1.22 0.02 -0.33 0.00 -1.58 0.00 0.00 32.23 31.56 1joq h LYS 70 CO 0.96 0.74 -0.81 0.15 -1.08 0.00 0.00 179.45 179.41 1joq s LYS 71 N -3.85 1.58 -0.11 3.15 1.02 -1.26 -5.01 119.74 115.26 1joq s LYS 71 Ca -0.04 -0.42 0.02 0.00 0.02 0.00 0.00 55.97 55.55 1joq s LYS 71 Cb 0.12 -1.34 0.01 0.00 -0.52 0.00 0.00 37.83 36.10 1joq s LYS 71 CO 0.79 0.08 -0.18 0.42 -0.92 0.00 0.00 175.35 175.53 1joq s ILE 72 N 0.49 1.72 0.04 2.17 1.01 -1.26 -2.94 121.20 122.43 1joq s ILE 72 Ca -0.11 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.79 1joq s ILE 72 Cb -0.14 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1joq s ILE 72 CO 0.03 0.48 -0.11 -1.61 0.00 0.00 0.00 174.94 173.73 1joq s GLU 73 N 0.77 0.75 -0.15 2.79 2.02 -0.97 -0.05 118.70 123.85 1joq s GLU 73 Ca -0.10 -0.70 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1joq s GLU 73 Cb -0.16 -0.69 0.00 0.00 0.10 0.00 0.00 34.13 33.39 1joq s GLU 73 CO 0.01 0.16 -0.18 0.14 0.02 0.00 0.00 175.26 175.42 1joq s VAL 74 N -0.94 2.41 -0.70 2.63 -7.23 0.04 -1.14 120.40 115.47 1joq s VAL 74 Ca -0.02 -0.85 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1joq s VAL 74 Cb -0.08 -2.00 0.18 0.00 0.56 0.00 0.00 36.38 35.04 1joq s VAL 74 CO 0.01 0.53 0.57 -0.70 -0.31 0.00 0.00 175.10 175.20 1joq s GLU 75 N 0.87 2.99 0.88 4.82 2.12 -0.66 -1.56 118.70 128.16 1joq s GLU 75 Ca -0.05 -2.45 -0.12 0.00 0.36 0.00 0.00 54.97 52.71 1joq s GLU 75 Cb -0.15 -4.04 0.10 0.00 0.26 0.00 0.00 34.13 30.30 1joq s GLU 75 CO -0.02 -1.23 0.98 1.19 -0.54 0.00 0.00 175.26 175.64 1joq n PHE 76 N 3.79 0.41 -1.08 5.30 3.01 -1.26 -2.17 117.46 125.46 1joq n PHE 76 Ca 0.09 0.36 0.00 0.00 1.01 0.00 0.00 57.45 58.92 1joq n PHE 76 Cb 0.42 -1.98 0.00 0.00 -0.01 0.00 0.00 39.48 37.90 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1joq n ASP 77 N -3.13 0.00 0.03 4.37 2.03 -1.26 -4.60 116.55 113.98 1joq n ASP 77 Ca 0.11 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.53 1joq n ASP 77 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.00 0.50 0.00 -0.67 0.00 -1.26 -4.90 118.16 111.82 1joq n LYS 78 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 1joq n LYS 78 Cb 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 35.03 33.42 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 1.29 -0.56 3.58 2.58 0.00 -1.26 -5.00 105.19 105.83 1joq n GLY 79 Ca -0.01 -1.24 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 1joq n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1joq s GLN 80 N 0.00 -1.10 0.00 1.61 -0.21 -1.26 -4.98 119.66 113.72 1joq s GLN 80 Ca 0.00 0.04 0.09 0.00 0.02 0.00 0.00 55.36 55.51 1joq s GLN 80 Cb 0.00 -1.60 -0.06 0.00 1.00 0.00 0.00 33.01 32.35 1joq s GLN 80 CO 0.00 -3.65 0.48 0.54 -2.12 0.00 0.00 175.29 170.54 1joq n ARG 81 N -4.74 3.22 -4.04 2.91 1.74 -1.26 -4.66 116.66 109.83 1joq n ARG 81 Ca 0.12 -0.25 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 1joq n ARG 81 Cb 0.59 -0.99 -0.06 0.00 -1.02 0.00 0.00 32.46 30.98 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 -1.62 0.00 0.00 0.55 -4.23 -1.26 -2.10 115.64 106.98 1joq s THR 82 Ca 0.05 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 1joq s THR 82 Cb 0.07 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.65 1joq s THR 82 CO 0.31 -0.00 0.00 -0.67 -0.54 0.00 0.00 174.62 173.72 1joq n ASP 83 N -0.36 0.05 0.23 3.99 2.03 -0.77 -4.89 116.55 116.83 1joq n ASP 83 Ca -0.01 -0.19 0.11 0.00 0.52 0.00 0.00 54.79 55.23 1joq n ASP 83 Cb 0.63 0.00 0.42 0.00 -0.72 0.00 0.00 41.12 41.44 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1joq h LYS 84 N 0.00 0.00 -0.14 -0.67 2.10 -2.03 -2.66 116.57 113.17 1joq h LYS 84 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 84 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 84 CO 0.00 0.16 0.00 0.66 -2.00 0.00 0.00 179.45 178.27 1joq n TYR 85 N -3.24 0.18 -1.04 0.07 4.01 -1.26 -4.89 117.16 110.99 1joq n TYR 85 Ca 0.01 -0.09 -0.01 0.00 -0.16 0.00 0.00 57.90 57.65 1joq n TYR 85 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.48 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 1.16 0.50 3.72 2.72 0.00 -1.00 -5.00 105.19 107.28 1joq n GLY 86 Ca 0.17 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.84 4.57 0.30 1.61 0.52 -1.26 -4.74 118.95 118.10 1joq s ARG 87 Ca 0.00 1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 56.24 1joq s ARG 87 Cb 0.00 -3.43 -0.10 0.00 0.52 0.00 0.00 34.95 31.94 1joq s ARG 87 CO 0.00 0.07 1.27 0.20 0.02 0.00 0.00 175.30 176.86 1joq s GLY 88 N 0.62 2.89 -0.17 -3.53 0.00 -0.18 -1.85 107.32 105.11 1joq s GLY 88 Ca 0.47 1.16 0.01 0.00 0.00 0.00 0.00 44.72 46.37 1joq s GLY 88 CO 0.27 1.87 -0.19 1.08 0.00 0.00 0.00 173.10 176.13 1joq s LEU 89 N -1.38 2.03 -0.05 0.66 1.43 -0.89 -1.70 118.68 118.78 1joq s LEU 89 Ca 0.50 -0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 1joq s LEU 89 Cb -0.38 -1.41 0.11 0.00 0.03 0.00 0.00 46.19 44.55 1joq s LEU 89 CO 0.48 -0.00 1.05 0.00 0.23 0.00 0.00 176.35 178.10 1joq s ALA 90 N 1.26 -1.93 -0.41 4.21 0.00 -1.26 -4.33 121.76 119.30 1joq s ALA 90 Ca 0.03 1.06 -0.27 0.00 0.00 0.00 0.00 51.96 52.78 1joq s ALA 90 Cb -0.13 0.26 0.02 0.00 0.00 0.00 0.00 23.12 23.27 1joq s ALA 90 CO -0.11 -0.74 1.03 0.71 0.00 0.00 0.00 175.76 176.65 1joq s TYR 91 N -2.83 2.98 0.41 0.00 2.02 -0.92 -4.37 117.35 114.64 1joq s TYR 91 Ca 0.08 0.79 -0.23 0.00 -0.37 0.00 0.00 57.07 57.35 1joq s TYR 91 Cb -0.00 -3.96 -0.10 0.00 -0.40 0.00 0.00 41.96 37.49 1joq s TYR 91 CO -0.06 -1.00 0.98 0.42 -1.57 0.00 0.00 175.55 174.32 1joq s ILE 92 N 3.88 4.16 -0.06 2.71 1.01 -1.26 -1.65 121.20 130.00 1joq s ILE 92 Ca 0.43 1.49 -0.01 0.00 0.00 0.00 0.00 60.65 62.56 1joq s ILE 92 Cb -0.10 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.71 1joq s ILE 92 CO 0.23 -0.15 0.01 -0.31 0.00 0.00 0.00 174.94 174.72 1joq s TYR 93 N -1.94 0.52 -0.15 3.97 2.02 -0.30 -2.37 117.35 119.10 1joq s TYR 93 Ca 0.59 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 57.23 1joq s TYR 93 Cb -0.14 -0.67 0.01 0.00 -0.40 0.00 0.00 41.96 40.76 1joq s TYR 93 CO 0.19 -0.26 -0.19 0.00 -1.57 0.00 0.00 175.55 173.72 1joq s ALA 94 N 1.71 2.37 -1.29 3.71 0.00 -0.71 -2.30 121.76 125.25 1joq s ALA 94 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1joq s ALA 94 Cb -0.13 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1joq s ALA 94 CO -0.04 -0.09 0.00 -0.25 0.00 0.00 0.00 175.76 175.38 1joq n ASP 95 N 4.17 -5.09 0.00 0.00 8.00 -1.15 -1.40 116.55 121.09 1joq n ASP 95 Ca -0.20 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1joq n ASP 95 Cb 0.51 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 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 -0.66 0.63 3.00 0.44 0.00 -1.26 -5.05 105.19 102.29 1joq n GLY 96 Ca -0.12 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.03 1.82 -0.23 1.61 2.20 -0.49 -5.08 119.74 116.53 1joq s LYS 97 Ca 0.00 -0.42 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 1joq s LYS 97 Cb 0.00 -1.60 -0.04 0.00 -1.51 0.00 0.00 37.83 34.68 1joq s LYS 97 CO 0.00 -0.08 1.92 1.41 -0.36 0.00 0.00 175.35 178.24 1joq s MET 98 N 1.03 3.45 0.23 4.03 -2.45 -1.26 -1.73 119.30 122.59 1joq s MET 98 Ca -0.07 1.81 -0.07 0.00 -1.25 0.00 0.00 55.69 56.10 1joq s MET 98 Cb -0.15 -4.22 0.28 0.00 1.25 0.00 0.00 34.83 31.99 1joq s MET 98 CO -0.01 -1.73 1.86 0.28 1.05 0.00 0.00 175.02 176.47 1joq h VAL 99 N 6.66 1.08 -0.79 10.11 2.07 -1.84 -0.51 116.25 133.04 1joq h VAL 99 Ca -0.38 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 66.92 1joq h VAL 99 Cb 1.20 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1joq h VAL 99 CO 0.99 0.18 0.52 0.78 0.02 0.00 0.00 177.57 180.05 1joq h ASN 100 N 0.97 0.61 0.08 0.57 4.21 -1.89 -0.27 115.58 119.86 1joq h ASN 100 Ca 0.34 0.02 -0.19 0.00 1.21 0.00 0.00 56.30 57.68 1joq h ASN 100 Cb 0.09 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1joq h ASN 100 CO -0.14 0.35 -0.72 -0.08 -1.29 0.00 0.00 177.43 175.55 1joq h GLU 101 N 0.67 0.57 -0.14 0.81 4.81 -1.51 -2.75 114.58 117.04 1joq h GLU 101 Ca 0.37 -0.45 0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1joq h GLU 101 Cb 0.53 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1joq h GLU 101 CO -0.14 1.07 0.01 0.00 -0.73 0.00 0.00 179.01 179.21 1joq h ALA 102 N 0.81 0.12 -0.16 2.92 0.00 -0.13 -1.01 119.26 121.80 1joq h ALA 102 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1joq h ALA 102 Cb 1.31 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1joq h ALA 102 CO 0.13 -0.44 0.08 -0.07 0.00 0.00 0.00 179.25 178.95 1joq h LEU 103 N 0.05 0.12 -1.60 0.00 3.38 -1.39 -1.22 115.31 114.65 1joq h LEU 103 Ca 0.06 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.20 1joq h LEU 103 Cb 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1joq h LEU 103 CO -0.10 0.09 0.51 0.58 0.09 0.00 0.00 178.44 179.61 1joq h VAL 104 N 0.17 0.78 -0.47 1.22 2.07 -1.14 0.17 116.25 119.03 1joq h VAL 104 Ca 0.06 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1joq h VAL 104 Cb 0.01 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1joq h VAL 104 CO -0.05 0.07 -0.10 -0.09 0.02 0.00 0.00 177.57 177.42 1joq h ARG 105 N 0.39 0.86 -0.11 1.57 2.43 0.01 -1.75 114.38 117.79 1joq h ARG 105 Ca 0.38 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1joq h ARG 105 Cb 0.90 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1joq h ARG 105 CO -0.12 0.93 0.00 1.04 -1.51 0.00 0.00 179.97 180.31 1joq n GLN 106 N -4.16 1.29 -4.15 0.20 1.13 0.50 -4.84 117.38 107.35 1joq n GLN 106 Ca 0.02 -0.45 -0.33 0.00 -1.94 0.00 0.00 57.00 54.30 1joq n GLN 106 Cb 0.38 -1.17 -0.03 0.00 0.11 0.00 0.00 30.24 29.53 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1joq n GLY 107 N 0.77 -0.35 0.01 1.08 0.00 -0.66 -4.45 105.19 101.58 1joq n GLY 107 Ca 0.07 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.40 0.25 -4.21 0.99 4.77 -1.15 -3.13 117.00 110.11 1joq n LEU 108 Ca -0.07 -0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.62 1joq n LEU 108 Cb 0.57 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.55 1joq n LEU 108 CO 0.83 0.06 -0.41 0.00 -1.33 0.00 0.00 177.39 176.54 1joq s ALA 109 N -3.09 1.27 -0.05 -1.18 0.00 -1.26 -3.43 121.76 114.02 1joq s ALA 109 Ca -0.03 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.61 1joq s ALA 109 Cb 0.12 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 1joq s ALA 109 CO 0.75 -0.09 -0.15 0.15 0.00 0.00 0.00 175.76 176.43 1joq s LYS 110 N -3.38 2.49 0.22 0.00 1.02 -1.00 -4.74 119.74 114.35 1joq s LYS 110 Ca 0.12 -0.70 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 1joq s LYS 110 Cb 0.01 -2.37 -0.10 0.00 -0.52 0.00 0.00 37.83 34.85 1joq s LYS 110 CO -0.00 0.62 1.52 0.08 -0.92 0.00 0.00 175.35 176.65 1joq s VAL 111 N -0.73 2.54 0.00 3.17 1.01 -1.26 -1.78 120.40 123.34 1joq s VAL 111 Ca 0.11 0.42 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1joq s VAL 111 Cb -0.11 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1joq s VAL 111 CO 0.00 0.05 0.06 0.00 0.00 0.00 0.00 175.10 175.22 1joq n ALA 112 N 2.94 -0.18 -3.15 5.51 0.00 -0.97 -4.87 120.51 119.80 1joq n ALA 112 Ca 0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.35 1joq n ALA 112 Cb 0.39 0.02 0.07 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.05 -2.25 -3.63 0.00 4.01 -1.26 -3.24 117.16 110.75 1joq n TYR 113 Ca 0.00 0.81 -0.39 0.00 -0.16 0.00 0.00 57.90 58.16 1joq n TYR 113 Cb 0.03 -4.13 -0.09 0.00 -0.31 0.00 0.00 39.34 34.84 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 -3.36 3.98 -0.41 -0.72 1.01 -1.26 -3.99 120.40 115.65 1joq s VAL 114 Ca 0.36 -2.23 0.01 0.00 0.00 0.00 0.00 61.98 60.12 1joq s VAL 114 Cb -0.05 -3.62 0.11 0.00 0.00 0.00 0.00 36.38 32.83 1joq s VAL 114 CO 0.68 -0.81 0.16 -0.31 0.00 0.00 0.00 175.10 174.83 1joq s TYR 115 N 0.82 3.60 0.65 5.22 2.02 -1.26 -5.01 117.35 123.39 1joq s TYR 115 Ca 0.10 -2.79 -0.17 0.00 -0.37 0.00 0.00 57.07 53.84 1joq s TYR 115 Cb -0.22 -3.05 -0.12 0.00 -0.40 0.00 0.00 41.96 38.17 1joq s TYR 115 CO -0.03 -0.92 -0.03 1.63 -1.57 0.00 0.00 175.55 174.63 1joq n LYS 116 N 4.17 0.12 -0.58 -0.62 5.02 -1.26 -1.71 118.16 123.31 1joq n LYS 116 Ca 0.02 0.05 -0.11 0.00 -2.02 0.00 0.00 58.31 56.26 1joq n LYS 116 Cb 0.40 -1.27 0.06 0.00 -0.02 0.00 0.00 35.03 34.20 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 0.99 1.54 -2.65 1.97 -0.04 -1.26 -5.02 135.00 130.53 1joq n PRO 117 Ca 0.07 -1.23 -0.43 0.00 -0.04 0.00 0.00 63.50 61.87 1joq n PRO 117 Cb 0.49 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.02 5.27 -1.80 3.54 3.02 -0.69 -4.23 115.26 120.39 1joq n ASN 118 Ca 0.24 -3.09 -0.04 0.00 -0.03 0.00 0.00 54.58 51.67 1joq n ASN 118 Cb 0.87 -1.49 0.02 0.00 -0.61 0.00 0.00 39.78 38.57 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 4.19 -0.88 0.06 6.41 6.94 -1.26 -4.26 115.26 126.45 1joq n ASN 119 Ca 0.37 -2.09 0.07 0.00 -0.02 0.00 0.00 54.58 52.91 1joq n ASN 119 Cb 0.38 0.36 0.32 0.00 -2.36 0.00 0.00 39.78 38.48 1joq n ASN 119 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1joq n THR 120 N -0.61 1.25 -1.91 5.53 -1.04 -1.26 -2.30 114.28 113.93 1joq n THR 120 Ca -0.19 0.40 0.02 0.00 -2.04 0.00 0.00 64.05 62.24 1joq n THR 120 Cb 0.81 -1.31 0.03 0.00 -1.82 0.00 0.00 70.33 68.04 1joq n THR 120 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1joq n HIS 121 N -1.80 0.00 -0.05 -1.42 8.25 -1.26 -4.83 115.22 114.11 1joq n HIS 121 Ca 0.01 -0.30 -0.01 0.00 -0.26 0.00 0.00 57.72 57.17 1joq n HIS 121 Cb 0.11 -0.09 0.27 0.00 1.12 0.00 0.00 29.99 31.40 1joq n HIS 121 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1joq h GLU 122 N 0.20 0.65 -0.29 -0.41 4.81 -1.81 -2.30 114.58 115.42 1joq h GLU 122 Ca -0.04 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 1joq h GLU 122 Cb 1.40 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1joq h GLU 122 CO 0.02 0.61 -0.42 1.96 -0.73 0.00 0.00 179.01 180.44 1joq h GLN 123 N 0.63 0.73 0.58 1.92 4.20 -1.88 -1.55 115.11 119.74 1joq h GLN 123 Ca 0.14 -0.39 -0.03 0.00 0.06 0.00 0.00 58.65 58.43 1joq h GLN 123 Cb 0.27 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1joq h GLN 123 CO 0.00 1.01 -0.29 1.25 -0.67 0.00 0.00 178.83 180.13 1joq h LEU 124 N 0.59 -0.69 -2.15 1.46 5.85 -1.78 -2.30 115.31 116.29 1joq h LEU 124 Ca 0.04 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1joq h LEU 124 Cb 0.97 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1joq h LEU 124 CO 0.09 -0.48 0.19 -0.07 -0.34 0.00 0.00 178.44 177.83 1joq h LEU 125 N -0.79 0.00 0.44 2.25 3.38 -1.55 -2.35 115.31 116.69 1joq h LEU 125 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1joq h LEU 125 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1joq h LEU 125 CO 0.12 0.00 -0.40 0.03 0.09 0.00 0.00 178.44 178.28 1joq h ARG 126 N 0.00 -0.82 -0.44 1.13 3.08 -0.72 -1.02 114.38 115.60 1joq h ARG 126 Ca 0.10 0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.19 1joq h ARG 126 Cb 0.48 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1joq h ARG 126 CO -0.00 -0.54 0.19 1.57 -1.07 0.00 0.00 179.97 180.11 1joq h LYS 127 N -0.85 0.61 -0.75 0.04 2.10 -1.08 -1.47 116.57 115.17 1joq h LYS 127 Ca -0.04 -0.08 0.05 0.00 -2.00 0.00 0.00 60.65 58.58 1joq h LYS 127 Cb 0.74 -0.12 -0.04 0.00 -0.90 0.00 0.00 32.23 31.91 1joq h LYS 127 CO -0.04 0.50 0.49 0.77 -2.00 0.00 0.00 179.45 179.17 1joq h SER 128 N 0.61 0.75 0.14 7.07 0.02 -1.03 -0.93 113.55 120.18 1joq h SER 128 Ca 0.15 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.93 1joq h SER 128 Cb 0.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 1joq h SER 128 CO -0.02 0.50 -0.62 -0.08 -1.14 0.00 0.00 176.83 175.47 1joq h GLU 129 N 0.86 0.48 -0.79 3.45 4.81 -0.15 -2.77 114.58 120.47 1joq h GLU 129 Ca 0.31 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1joq h GLU 129 Cb 0.15 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1joq h GLU 129 CO -0.10 0.95 0.50 0.00 -0.73 0.00 0.00 179.01 179.63 1joq h ALA 130 N 0.97 1.04 -0.12 2.92 0.00 -0.76 -0.74 119.26 122.58 1joq h ALA 130 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1joq h ALA 130 Cb 1.17 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1joq h ALA 130 CO 0.11 0.31 0.02 0.37 0.00 0.00 0.00 179.25 180.06 1joq h GLN 131 N 0.97 0.19 -0.46 0.00 4.15 -1.35 -2.04 115.11 116.58 1joq h GLN 131 Ca 0.32 -0.05 0.13 0.00 0.77 0.00 0.00 58.65 59.82 1joq h GLN 131 Cb 0.02 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1joq h GLN 131 CO -0.11 0.39 0.34 0.00 -1.93 0.00 0.00 178.83 177.51 1joq h ALA 132 N 0.79 2.42 -0.12 3.38 0.00 -1.14 0.17 119.26 124.77 1joq h ALA 132 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1joq h ALA 132 Cb 0.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1joq h ALA 132 CO 0.00 -0.57 -0.25 0.87 0.00 0.00 0.00 179.25 179.30 1joq h LYS 133 N 0.00 0.39 0.00 0.00 1.57 -0.48 -0.44 116.57 117.61 1joq h LYS 133 Ca 0.22 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1joq h LYS 133 Cb 0.89 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.23 1joq h LYS 133 CO -0.00 0.85 0.00 1.63 -0.57 0.00 0.00 179.45 181.36 1joq n LYS 134 N -4.46 0.07 -0.00 3.15 4.76 -0.32 -2.55 118.16 118.81 1joq n LYS 134 Ca -0.07 0.18 0.11 0.00 -2.87 0.00 0.00 58.31 55.66 1joq n LYS 134 Cb 0.45 -1.60 -0.12 0.00 -1.84 0.00 0.00 35.03 31.92 1joq n LYS 134 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1joq n GLU 135 N -1.72 0.27 -3.49 1.97 1.02 0.46 -5.00 120.64 114.15 1joq n GLU 135 Ca 0.05 -0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 56.90 1joq n GLU 135 Cb 0.28 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.82 -1.52 -2.99 3.49 5.02 -0.19 -4.88 118.16 115.26 1joq n LYS 136 Ca 0.01 0.74 -0.44 0.00 -2.02 0.00 0.00 58.31 56.60 1joq n LYS 136 Cb 0.43 -4.67 -0.04 0.00 -0.02 0.00 0.00 35.03 30.73 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 -5.71 5.05 0.00 -0.35 1.98 -1.18 -4.50 118.68 113.97 1joq s LEU 137 Ca 0.37 -1.51 0.00 0.00 -2.89 0.00 0.00 54.13 50.10 1joq s LEU 137 Cb -0.10 -2.36 0.00 0.00 0.66 0.00 0.00 46.19 44.39 1joq s LEU 137 CO 0.82 -1.18 0.00 0.59 -1.89 0.00 0.00 176.35 174.68 1joq n ASN 138 N 6.71 0.00 -0.33 3.68 3.02 -1.26 -3.36 115.26 123.72 1joq n ASN 138 Ca 0.02 0.00 0.20 0.00 -0.03 0.00 0.00 54.58 54.77 1joq n ASN 138 Cb 0.45 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 40.01 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 0.09 -0.30 2.41 2.04 -1.85 0.68 117.51 120.58 1joq h ILE 139 Ca 0.00 -0.02 -0.20 0.00 1.00 0.00 0.00 64.86 65.64 1joq h ILE 139 Cb 0.00 0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.02 1joq h ILE 139 CO 0.00 0.01 0.16 0.79 0.00 0.00 0.00 178.15 179.11 1joq n TRP 140 N -5.35 0.78 0.27 1.37 7.02 -1.21 -4.44 117.44 115.87 1joq n TRP 140 Ca 0.27 -1.54 0.12 0.00 -1.02 0.00 0.00 57.50 55.34 1joq n TRP 140 Cb 0.91 -0.90 0.77 0.00 -2.42 0.00 0.00 31.31 29.67 1joq n TRP 140 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1joq h SER 141 N 1.62 0.00 -0.60 -0.99 0.87 0.15 -3.35 113.55 111.25 1joq h SER 141 Ca 0.18 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.18 1joq h SER 141 Cb 1.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1joq h SER 141 CO 0.42 0.06 -0.23 -1.61 -0.53 0.00 0.00 176.83 174.94 1joq s GLU 142 N -4.56 2.26 0.68 2.24 2.02 -1.26 -5.00 118.70 115.08 1joq s GLU 142 Ca -0.04 -1.91 0.03 0.00 0.02 0.00 0.00 54.97 53.07 1joq s GLU 142 Cb 0.15 -2.28 0.12 0.00 0.10 0.00 0.00 34.13 32.22 1joq s GLU 142 CO 0.59 -0.72 0.94 0.16 0.02 0.00 0.00 175.26 176.25 1joq s ASP 143 N -4.42 4.54 -0.14 -0.19 1.47 -1.26 -4.89 116.67 111.77 1joq s ASP 143 Ca 0.43 -0.56 -0.08 0.00 1.18 0.00 0.00 52.55 53.52 1joq s ASP 143 Cb -0.03 0.16 -0.06 0.00 -0.34 0.00 0.00 42.92 42.65 1joq s ASP 143 CO 0.27 -1.74 -0.19 -0.46 0.68 0.00 0.00 175.17 173.73 1joq n ASN 144 N -2.66 1.10 -4.69 2.11 6.94 -1.26 -4.80 115.26 112.00 1joq n ASN 144 Ca 0.16 0.19 -0.42 0.00 -0.02 0.00 0.00 54.58 54.48 1joq n ASN 144 Cb 0.61 -0.45 -0.03 0.00 -2.36 0.00 0.00 39.78 37.55 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1joq s ALA 145 N -2.29 3.49 -0.37 -2.53 0.00 -1.26 -4.01 121.76 114.79 1joq s ALA 145 Ca -0.21 0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.30 1joq s ALA 145 Cb 0.08 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1joq s ALA 145 CO 0.26 -0.75 0.37 -0.25 0.00 0.00 0.00 175.76 175.39 1joq n ASP 146 N 5.23 -5.16 -4.46 0.00 8.00 -1.26 -5.02 116.55 113.88 1joq n ASP 146 Ca 0.11 0.03 -0.34 0.00 0.71 0.00 0.00 54.79 55.29 1joq n ASP 146 Cb 0.47 -3.35 -0.12 0.00 -0.02 0.00 0.00 41.12 38.09 1joq n ASP 146 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1joq s SER 147 N -2.41 4.77 0.64 -2.24 1.04 -1.26 -4.93 113.70 109.32 1joq s SER 147 Ca 0.03 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1joq s SER 147 Cb -0.01 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1joq s SER 147 CO 0.41 0.11 0.00 0.61 0.98 0.00 0.00 173.24 175.35 1joq n GLY 148 N 3.93 0.43 0.00 7.32 0.00 -1.26 -5.15 105.19 110.45 1joq n GLY 148 Ca -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14