#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 3.58 0.00 0.00 -1.04 -1.26 -4.95 114.28 110.61 1joq n THR 2 Ca 0.00 -3.04 0.00 0.00 -2.04 0.00 0.00 64.05 58.97 1joq n THR 2 Cb 0.00 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 1joq n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1joq n SER 3 N -0.90 0.00 -2.88 8.00 7.64 -1.26 -5.00 113.62 119.23 1joq n SER 3 Ca 0.62 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 60.37 1joq n SER 3 Cb 0.66 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.92 1joq n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1joq n THR 4 N -0.22 -5.90 -3.74 0.44 -1.04 -1.26 -5.03 114.28 97.53 1joq n THR 4 Ca 0.00 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.05 61.20 1joq n THR 4 Cb 0.00 -5.04 -0.12 0.00 -1.82 0.00 0.00 70.33 63.35 1joq n THR 4 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1joq s LYS 5 N -4.62 0.25 -0.59 -2.82 -2.85 -1.26 -5.10 119.74 102.75 1joq s LYS 5 Ca 0.16 0.53 -0.28 0.00 -1.00 0.00 0.00 55.97 55.38 1joq s LYS 5 Cb -0.02 -0.05 0.02 0.00 -2.06 0.00 0.00 37.83 35.72 1joq s LYS 5 CO 0.57 -0.13 1.38 0.21 0.10 0.00 0.00 175.35 177.48 1joq s LYS 6 N 1.02 3.29 0.00 1.78 2.47 -1.26 -5.00 119.74 122.04 1joq s LYS 6 Ca -0.07 0.32 0.00 0.00 -1.56 0.00 0.00 55.97 54.66 1joq s LYS 6 Cb -0.08 -4.13 0.00 0.00 -1.46 0.00 0.00 37.83 32.16 1joq s LYS 6 CO -0.07 -1.97 0.00 1.28 0.16 0.00 0.00 175.35 174.75 1joq n LEU 7 N 9.51 0.00 -4.42 5.43 4.77 -1.26 -4.98 117.00 126.05 1joq n LEU 7 Ca 0.11 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.74 1joq n LEU 7 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 1joq n LEU 7 CO 0.71 -0.85 -0.35 -2.28 -1.33 0.00 0.00 177.39 173.29 1joq s HIS 8 N -0.46 3.01 -0.21 -1.77 2.46 -1.26 -5.09 115.29 111.97 1joq s HIS 8 Ca 0.00 -0.55 -0.06 0.00 0.47 0.00 0.00 55.06 54.92 1joq s HIS 8 Cb 0.00 -2.07 -0.02 0.00 -0.13 0.00 0.00 32.58 30.36 1joq s HIS 8 CO 0.00 -0.29 0.02 0.15 -2.47 0.00 0.00 174.74 172.15 1joq s LYS 9 N 1.02 3.62 0.25 2.88 1.02 -1.26 -4.22 119.74 123.05 1joq s LYS 9 Ca 0.01 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.59 1joq s LYS 9 Cb -0.14 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 33.98 1joq s LYS 9 CO 0.01 -0.05 -0.03 -1.21 -0.92 0.00 0.00 175.35 173.16 1joq s GLU 10 N 1.18 2.24 0.80 1.68 2.02 -0.82 -4.94 118.70 120.86 1joq s GLU 10 Ca 0.03 -1.38 -0.11 0.00 0.02 0.00 0.00 54.97 53.52 1joq s GLU 10 Cb -0.14 -2.16 0.07 0.00 0.10 0.00 0.00 34.13 31.99 1joq s GLU 10 CO 0.02 0.38 1.10 -1.25 0.02 0.00 0.00 175.26 175.52 1joq s PRO 11 N -3.48 2.09 0.29 0.39 0.04 -1.26 -0.21 135.00 132.87 1joq s PRO 11 Ca 0.30 0.66 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 1joq s PRO 11 Cb -0.07 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.56 1joq s PRO 11 CO 0.19 -1.62 0.56 0.00 0.04 0.00 0.00 177.00 176.17 1joq s ALA 12 N -3.14 -0.28 -0.29 8.56 0.00 -0.17 -4.55 121.76 121.89 1joq s ALA 12 Ca 0.61 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.68 1joq s ALA 12 Cb -0.14 0.99 0.09 0.00 0.00 0.00 0.00 23.12 24.05 1joq s ALA 12 CO 0.54 -0.89 0.04 0.99 0.00 0.00 0.00 175.76 176.44 1joq s THR 13 N -3.54 1.41 -0.35 0.00 2.01 -0.60 -4.76 115.64 109.82 1joq s THR 13 Ca 0.21 -1.58 -0.30 0.00 0.31 0.00 0.00 61.69 60.33 1joq s THR 13 Cb -0.02 -1.96 -0.08 0.00 0.01 0.00 0.00 72.50 70.45 1joq s THR 13 CO 0.11 -0.49 2.28 -0.11 -0.69 0.00 0.00 174.62 175.72 1joq n LEU 14 N 4.65 2.63 -0.07 4.42 -0.00 -1.26 0.11 117.00 127.48 1joq n LEU 14 Ca -0.03 0.08 -0.05 0.00 -0.00 0.00 0.00 56.01 56.02 1joq n LEU 14 Cb 0.43 -1.46 -0.02 0.00 -0.00 0.00 0.00 43.42 42.36 1joq n LEU 14 CO 0.16 -0.91 -0.22 0.40 -0.00 0.00 0.00 177.39 176.82 1joq h ILE 15 N 7.31 0.13 -1.65 1.96 2.04 -1.35 -3.48 117.51 122.47 1joq h ILE 15 Ca -0.32 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 64.48 1joq h ILE 15 Cb 1.27 0.29 -0.26 0.00 -0.74 0.00 0.00 36.82 37.38 1joq h ILE 15 CO 1.04 0.05 0.34 -0.75 0.00 0.00 0.00 178.15 178.83 1joq s LYS 16 N -2.02 0.50 0.23 2.37 2.47 -0.84 -5.03 119.74 117.41 1joq s LYS 16 Ca -0.11 0.74 -0.16 0.00 -1.56 0.00 0.00 55.97 54.88 1joq s LYS 16 Cb 0.01 0.16 -0.08 0.00 -1.46 0.00 0.00 37.83 36.47 1joq s LYS 16 CO 0.19 -0.08 0.66 0.00 0.16 0.00 0.00 175.35 176.28 1joq s ALA 17 N 0.93 3.45 -0.09 3.13 0.00 -1.26 -1.58 121.76 126.34 1joq s ALA 17 Ca -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.90 1joq s ALA 17 Cb -0.04 -2.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.35 1joq s ALA 17 CO -0.12 0.38 -0.10 -0.89 0.00 0.00 0.00 175.76 175.03 1joq n ILE 18 N 0.36 0.50 -4.11 0.00 5.41 -0.69 -4.93 119.36 115.89 1joq n ILE 18 Ca -0.01 -0.15 -0.06 0.00 1.00 0.00 0.00 62.75 63.53 1joq n ILE 18 Cb 0.52 -1.32 -0.02 0.00 -0.71 0.00 0.00 39.64 38.11 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 -3.17 0.69 0.04 4.38 9.92 -0.90 -4.97 116.55 122.54 1joq n ASP 19 Ca -0.17 -1.57 0.13 0.00 -0.53 0.00 0.00 54.79 52.65 1joq n ASP 19 Cb 0.64 0.31 0.51 0.00 -0.64 0.00 0.00 41.12 41.95 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1joq n GLY 20 N 1.06 -1.52 0.00 0.44 0.00 -1.26 -3.40 105.19 100.50 1joq n GLY 20 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1joq n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1joq n ASP 21 N -1.81 0.88 -4.02 1.61 2.03 -1.26 -4.84 116.55 109.15 1joq n ASP 21 Ca 0.06 -1.22 -0.30 0.00 0.52 0.00 0.00 54.79 53.85 1joq n ASP 21 Cb 0.35 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.59 1joq n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1joq s THR 22 N -0.22 1.57 -0.05 5.18 2.01 -1.22 -2.53 115.64 120.38 1joq s THR 22 Ca 0.00 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 61.35 1joq s THR 22 Cb 0.00 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.06 1joq s THR 22 CO 0.00 0.45 0.02 0.68 -0.69 0.00 0.00 174.62 175.08 1joq s VAL 23 N 1.49 0.15 -0.28 3.82 -7.23 -1.05 -1.70 120.40 115.59 1joq s VAL 23 Ca 0.05 0.23 -0.25 0.00 -1.81 0.00 0.00 61.98 60.20 1joq s VAL 23 Cb -0.13 -0.33 0.00 0.00 0.56 0.00 0.00 36.38 36.48 1joq s VAL 23 CO -0.11 0.20 0.85 -0.54 -0.31 0.00 0.00 175.10 175.20 1joq s LYS 24 N 1.82 4.09 0.34 4.82 1.02 -0.62 -1.64 119.74 129.57 1joq s LYS 24 Ca 0.01 0.83 0.00 0.00 0.02 0.00 0.00 55.97 56.84 1joq s LYS 24 Cb -0.12 -3.69 -0.00 0.00 -0.52 0.00 0.00 37.83 33.50 1joq s LYS 24 CO -0.04 -0.63 0.01 1.28 -0.92 0.00 0.00 175.35 175.05 1joq n LEU 25 N 6.19 0.00 -4.07 3.17 4.77 -0.47 -0.99 117.00 125.60 1joq n LEU 25 Ca 0.06 -2.17 -0.32 0.00 -0.03 0.00 0.00 56.01 53.55 1joq n LEU 25 Cb 0.48 0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 41.69 1joq n LEU 25 CO 0.50 -0.31 -0.42 -0.32 -1.33 0.00 0.00 177.39 175.51 1joq s MET 26 N -3.24 2.12 -0.08 3.23 1.75 0.12 -2.38 119.30 120.82 1joq s MET 26 Ca 0.01 -1.44 -0.02 0.00 -1.25 0.00 0.00 55.69 52.99 1joq s MET 26 Cb 0.00 -2.98 -0.03 0.00 2.84 0.00 0.00 34.83 34.65 1joq s MET 26 CO 0.01 -0.65 0.01 -0.47 -0.65 0.00 0.00 175.02 173.27 1joq s TYR 27 N 1.08 3.17 -0.72 4.11 5.04 -0.46 -1.55 117.35 128.03 1joq s TYR 27 Ca -0.05 0.20 -0.02 0.00 -2.44 0.00 0.00 57.07 54.76 1joq s TYR 27 Cb -0.20 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.34 1joq s TYR 27 CO -0.05 0.48 0.09 1.63 -1.34 0.00 0.00 175.55 176.36 1joq n LYS 28 N 2.09 -2.63 -2.86 4.97 5.02 -1.26 0.04 118.16 123.52 1joq n LYS 28 Ca -0.18 0.34 -0.10 0.00 -2.02 0.00 0.00 58.31 56.34 1joq n LYS 28 Cb 0.54 -4.92 0.05 0.00 -0.02 0.00 0.00 35.03 30.68 1joq n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 29 N -0.75 0.00 3.18 0.72 0.00 -1.26 -5.04 105.19 102.05 1joq n GLY 29 Ca -0.06 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.94 0.34 -0.15 1.61 0.74 0.11 -5.13 119.66 112.25 1joq s GLN 30 Ca 0.06 0.43 -0.29 0.00 0.05 0.00 0.00 55.36 55.60 1joq s GLN 30 Cb -0.02 0.15 -0.01 0.00 1.10 0.00 0.00 33.01 34.23 1joq s GLN 30 CO 0.41 -0.05 1.21 -1.25 -0.55 0.00 0.00 175.29 175.07 1joq s PRO 31 N 0.23 4.27 0.04 1.67 0.04 -1.26 -1.35 135.00 138.64 1joq s PRO 31 Ca -0.01 1.61 -0.15 0.00 0.04 0.00 0.00 61.00 62.50 1joq s PRO 31 Cb -0.03 -3.70 0.02 0.00 0.04 0.00 0.00 34.50 30.84 1joq s PRO 31 CO -0.00 -0.63 0.33 -1.64 0.04 0.00 0.00 177.00 175.10 1joq s MET 32 N 3.14 0.83 -0.27 4.56 -1.94 -1.00 -4.99 119.30 119.63 1joq s MET 32 Ca 0.53 -0.44 -0.07 0.00 -1.71 0.00 0.00 55.69 54.00 1joq s MET 32 Cb -0.21 0.36 -0.01 0.00 2.01 0.00 0.00 34.83 36.98 1joq s MET 32 CO 0.15 -0.27 0.07 -0.08 -0.01 0.00 0.00 175.02 174.89 1joq s THR 33 N -2.42 4.17 0.30 2.05 -1.32 -1.26 -1.37 115.64 115.79 1joq s THR 33 Ca -0.06 -0.37 -0.03 0.00 -1.21 0.00 0.00 61.69 60.02 1joq s THR 33 Cb -0.01 -3.02 -0.05 0.00 -1.51 0.00 0.00 72.50 67.91 1joq s THR 33 CO -0.02 0.25 0.54 -0.36 -2.21 0.00 0.00 174.62 172.82 1joq s PHE 34 N 1.57 3.49 -0.10 9.09 0.40 -0.65 -1.39 117.98 130.39 1joq s PHE 34 Ca 0.05 0.55 0.00 0.00 -0.60 0.00 0.00 56.93 56.93 1joq s PHE 34 Cb -0.16 -2.03 0.02 0.00 0.51 0.00 0.00 43.02 41.36 1joq s PHE 34 CO 0.03 0.16 -0.09 0.50 0.70 0.00 0.00 175.22 176.53 1joq s ARG 35 N -3.75 1.54 0.03 0.44 6.06 -0.92 -2.54 118.95 119.81 1joq s ARG 35 Ca 0.42 -0.29 -0.37 0.00 -2.50 0.00 0.00 55.73 53.00 1joq s ARG 35 Cb -0.10 -1.50 -0.16 0.00 0.06 0.00 0.00 34.95 33.24 1joq s ARG 35 CO 0.32 -0.18 1.44 1.28 -2.50 0.00 0.00 175.30 175.66 1joq n LEU 36 N 4.60 1.95 -4.90 -0.88 4.77 -1.05 -4.38 117.00 117.10 1joq n LEU 36 Ca -0.16 1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 56.64 1joq n LEU 36 Cb 0.50 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1joq n LEU 36 CO 0.19 -0.85 0.27 -0.76 -1.33 0.00 0.00 177.39 174.91 1joq s LEU 37 N 1.12 3.99 -1.54 2.23 1.43 -1.26 -4.13 118.68 120.52 1joq s LEU 37 Ca 0.86 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 1joq s LEU 37 Cb -0.94 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 41.62 1joq s LEU 37 CO 0.49 -0.25 0.10 0.18 0.23 0.00 0.00 176.35 177.10 1joq n LEU 38 N -1.04 -1.81 -4.08 1.79 4.77 -1.22 -4.92 117.00 110.49 1joq n LEU 38 Ca -0.01 -0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.82 1joq n LEU 38 Cb 0.54 -2.70 -0.04 0.00 -2.33 0.00 0.00 43.42 38.89 1joq n LEU 38 CO 0.48 -0.12 0.15 0.68 -1.33 0.00 0.00 177.39 177.25 1joq s VAL 39 N -2.94 0.00 -0.25 4.08 -7.23 -1.10 -2.27 120.40 110.69 1joq s VAL 39 Ca 0.06 -1.58 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 1joq s VAL 39 Cb -0.03 -2.63 0.07 0.00 0.56 0.00 0.00 36.38 34.35 1joq s VAL 39 CO 0.07 0.00 0.62 -0.62 -0.31 0.00 0.00 175.10 174.86 1joq s ASP 40 N -3.23 -0.81 0.30 4.85 2.15 0.18 -4.10 116.67 116.02 1joq s ASP 40 Ca 0.30 1.34 -0.15 0.00 0.43 0.00 0.00 52.55 54.47 1joq s ASP 40 Cb -0.00 1.24 -0.09 0.00 -0.30 0.00 0.00 42.92 43.77 1joq s ASP 40 CO 0.20 -0.23 0.71 0.28 -0.17 0.00 0.00 175.17 175.96 1joq s THR 41 N 1.36 4.71 0.00 1.71 -1.32 -1.26 -2.49 115.64 118.35 1joq s THR 41 Ca -0.08 0.91 0.00 0.00 -1.21 0.00 0.00 61.69 61.31 1joq s THR 41 Cb -0.06 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.30 1joq s THR 41 CO -0.15 -0.13 0.00 -0.81 -2.21 0.00 0.00 174.62 171.32 1joq n PRO 42 N -0.22 0.88 -1.57 7.08 -0.04 -1.26 -4.90 135.00 134.97 1joq n PRO 42 Ca 0.02 0.00 -0.53 0.00 -0.04 0.00 0.00 63.50 62.96 1joq n PRO 42 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 1joq n PRO 42 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1joq n GLU 43 N -0.11 0.96 -1.38 0.54 4.07 -1.25 -4.84 120.64 118.63 1joq n GLU 43 Ca 0.00 0.35 -0.01 0.00 -0.06 0.00 0.00 57.16 57.44 1joq n GLU 43 Cb 0.00 -1.94 -0.01 0.00 -0.06 0.00 0.00 31.44 29.43 1joq n GLU 43 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1joq n THR 44 N 2.19 0.05 -2.66 6.31 -1.04 -1.26 -4.57 114.28 113.30 1joq n THR 44 Ca 0.18 -0.66 -0.33 0.00 -2.04 0.00 0.00 64.05 61.20 1joq n THR 44 Cb 0.18 0.80 -0.01 0.00 -1.82 0.00 0.00 70.33 69.49 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1joq n LYS 45 N 0.17 3.97 -1.45 -2.82 4.01 -1.26 -5.01 118.16 115.77 1joq n LYS 45 Ca -0.09 -4.61 -0.45 0.00 -0.51 0.00 0.00 58.31 52.65 1joq n LYS 45 Cb 0.94 -2.32 -0.12 0.00 -0.51 0.00 0.00 35.03 33.01 1joq n LYS 45 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1joq n HIS 46 N -0.25 0.89 0.00 2.13 8.25 -1.26 -4.81 115.22 120.17 1joq n HIS 46 Ca 0.40 0.42 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 1joq n HIS 46 Cb 0.36 -2.41 0.00 0.00 1.12 0.00 0.00 29.99 29.07 1joq n HIS 46 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1joq n PRO 47 N 8.33 0.00 -0.11 -0.41 -0.04 -1.26 -4.82 135.00 136.69 1joq n PRO 47 Ca 0.58 0.16 -0.21 0.00 -0.04 0.00 0.00 63.50 64.00 1joq n PRO 47 Cb 0.10 -0.72 -0.08 0.00 -0.04 0.00 0.00 33.50 32.76 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 -0.99 0.47 -2.79 0.54 4.81 -1.26 -4.91 118.16 114.03 1joq n LYS 48 Ca 0.00 0.18 -0.09 0.00 -0.87 0.00 0.00 58.31 57.52 1joq n LYS 48 Cb 0.00 -1.30 0.04 0.00 0.02 0.00 0.00 35.03 33.80 1joq n LYS 48 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1joq n LYS 49 N -3.73 0.80 0.00 1.64 3.00 -1.26 -5.13 118.16 113.47 1joq n LYS 49 Ca -0.40 -1.88 0.00 0.00 -0.00 0.00 0.00 58.31 56.02 1joq n LYS 49 Cb 0.82 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 50 N 1.50 -2.28 0.07 3.14 0.00 -1.26 -4.77 105.19 101.59 1joq n GLY 50 Ca 0.10 -1.64 0.00 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 -0.24 0.18 0.00 1.61 0.31 -1.26 -4.16 118.33 114.77 1joq n VAL 51 Ca 0.00 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1joq n VAL 51 Cb 0.00 0.84 0.00 0.00 -0.91 0.00 0.00 33.84 33.77 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 -0.10 0.00 -1.51 5.55 1.02 -1.26 -4.57 120.64 119.77 1joq n GLU 52 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 1joq n GLU 52 Cb 0.50 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.76 1joq n GLU 52 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1joq n LYS 53 N 0.00 0.20 -4.22 3.49 3.00 -1.26 -1.62 118.16 117.74 1joq n LYS 53 Ca 0.00 -0.12 -0.30 0.00 -0.00 0.00 0.00 58.31 57.89 1joq n LYS 53 Cb 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 35.03 33.13 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 10.25 -1.38 0.00 5.64 4.01 -1.26 -4.67 117.16 129.75 1joq n TYR 54 Ca 0.61 0.66 0.00 0.00 -0.16 0.00 0.00 57.90 59.01 1joq n TYR 54 Cb 0.19 -3.03 0.00 0.00 -0.31 0.00 0.00 39.34 36.19 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 -2.31 0.79 3.66 2.72 0.00 -0.64 -3.78 105.19 105.63 1joq n GLY 55 Ca -0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1joq n GLY 55 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1joq s PRO 56 N 0.00 4.26 0.00 1.61 0.04 -1.26 -4.59 135.00 135.06 1joq s PRO 56 Ca 0.00 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.35 1joq s PRO 56 Cb 0.00 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.90 1joq s PRO 56 CO 0.00 -0.60 0.00 -1.91 0.04 0.00 0.00 177.00 174.53 1joq n GLU 57 N 6.23 0.00 -0.23 4.56 4.07 -1.26 -4.96 120.64 129.05 1joq n GLU 57 Ca 0.11 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.15 1joq n GLU 57 Cb 0.46 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 31.92 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 1.00 -0.04 4.31 0.00 -1.91 -1.57 119.26 121.05 1joq h ALA 58 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1joq h ALA 58 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1joq h ALA 58 CO 0.00 0.65 -0.10 0.66 0.00 0.00 0.00 179.25 180.46 1joq h SER 59 N 1.02 -0.30 0.23 0.00 4.64 -1.88 -0.85 113.55 116.42 1joq h SER 59 Ca 0.21 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.55 1joq h SER 59 Cb 0.36 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1joq h SER 59 CO 0.00 -0.14 -0.19 0.00 -0.87 0.00 0.00 176.83 175.63 1joq h ALA 60 N 0.86 1.58 0.62 5.18 0.00 -1.87 -0.65 119.26 124.96 1joq h ALA 60 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1joq h ALA 60 Cb 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1joq h ALA 60 CO -0.13 0.23 -0.30 0.35 0.00 0.00 0.00 179.25 179.41 1joq h PHE 61 N 0.00 -0.77 0.00 0.00 3.04 -0.15 -1.28 116.94 117.78 1joq h PHE 61 Ca -0.00 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1joq h PHE 61 Cb 0.35 0.25 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1joq h PHE 61 CO 0.00 -0.48 -0.05 1.15 -2.02 0.00 0.00 178.31 176.91 1joq h THR 62 N -0.95 0.26 0.00 4.41 2.02 -1.27 -1.12 112.91 116.26 1joq h THR 62 Ca -0.08 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.75 1joq h THR 62 Cb 0.63 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1joq h THR 62 CO 0.14 0.05 0.00 1.17 0.37 0.00 0.00 175.52 177.25 1joq n LYS 63 N -3.35 0.00 -0.20 6.66 4.81 -0.26 -1.73 118.16 124.10 1joq n LYS 63 Ca -0.02 0.25 0.30 0.00 -0.87 0.00 0.00 58.31 57.97 1joq n LYS 63 Cb 0.20 -0.97 0.73 0.00 0.02 0.00 0.00 35.03 35.00 1joq n LYS 63 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 1joq h LYS 64 N 0.00 0.00 0.32 1.64 1.63 -1.28 0.47 116.57 119.34 1joq h LYS 64 Ca 0.00 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1joq h LYS 64 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1joq h LYS 64 CO 0.00 0.00 -0.15 1.98 -3.45 0.00 0.00 179.45 177.83 1joq h MET 65 N 0.00 -0.41 0.00 1.90 4.05 -1.23 -1.34 114.93 117.90 1joq h MET 65 Ca 0.45 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.89 1joq h MET 65 Cb 1.80 0.09 0.00 0.00 -0.80 0.00 0.00 31.60 32.69 1joq h MET 65 CO -0.00 -0.28 0.00 1.33 0.23 0.00 0.00 176.91 178.19 1joq n VAL 66 N -3.30 1.39 0.13 -5.77 0.24 -0.70 -0.97 118.33 109.35 1joq n VAL 66 Ca -0.05 0.49 -0.22 0.00 -2.04 0.00 0.00 64.34 62.52 1joq n VAL 66 Cb 0.17 -1.44 -0.15 0.00 -1.47 0.00 0.00 33.84 30.95 1joq n VAL 66 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1joq h GLU 67 N 0.00 0.45 -0.02 7.34 4.39 -0.52 -3.30 114.58 122.92 1joq h GLU 67 Ca 0.00 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1joq h GLU 67 Cb 0.09 0.29 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1joq h GLU 67 CO 0.00 1.36 -0.16 0.09 -1.16 0.00 0.00 179.01 179.15 1joq n ASN 68 N -3.65 2.53 -4.67 1.42 3.02 -0.54 -4.92 115.26 108.46 1joq n ASN 68 Ca -0.15 -1.78 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 1joq n ASN 68 Cb 1.08 0.15 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 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 -2.17 3.63 -1.08 5.41 0.00 -0.14 -4.85 121.76 122.55 1joq s ALA 69 Ca 0.26 0.96 0.28 0.00 0.00 0.00 0.00 51.96 53.45 1joq s ALA 69 Cb 0.19 -3.71 1.08 0.00 0.00 0.00 0.00 23.12 20.68 1joq s ALA 69 CO 0.39 -1.27 1.81 1.63 0.00 0.00 0.00 175.76 178.32 1joq n LYS 70 N 6.61 0.09 -3.68 0.00 5.02 -1.26 -4.71 118.16 120.22 1joq n LYS 70 Ca 0.16 -0.02 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 1joq n LYS 70 Cb 0.43 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 33.77 1joq n LYS 70 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1joq s LYS 71 N -2.93 0.01 -0.24 1.97 1.02 -1.26 -4.98 119.74 113.33 1joq s LYS 71 Ca 0.15 0.49 -0.01 0.00 0.02 0.00 0.00 55.97 56.63 1joq s LYS 71 Cb 0.19 -0.32 0.07 0.00 -0.52 0.00 0.00 37.83 37.25 1joq s LYS 71 CO 0.56 -0.30 0.01 0.42 -0.92 0.00 0.00 175.35 175.13 1joq s ILE 72 N 2.12 1.07 -0.02 2.17 1.01 -1.26 -1.79 121.20 124.50 1joq s ILE 72 Ca 0.02 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.65 1joq s ILE 72 Cb -0.12 -1.54 -0.01 0.00 0.01 0.00 0.00 42.46 40.80 1joq s ILE 72 CO -0.05 -0.28 -0.18 -1.61 0.00 0.00 0.00 174.94 172.81 1joq s GLU 73 N 1.59 1.59 0.10 2.79 2.02 -0.96 -1.00 118.70 124.83 1joq s GLU 73 Ca -0.00 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.30 1joq s GLU 73 Cb -0.18 -1.49 -0.05 0.00 0.10 0.00 0.00 34.13 32.51 1joq s GLU 73 CO -0.11 0.36 0.31 0.14 0.02 0.00 0.00 175.26 175.98 1joq s VAL 74 N -0.31 5.25 -0.25 2.63 -7.23 0.71 -1.67 120.40 119.53 1joq s VAL 74 Ca 0.04 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.13 1joq s VAL 74 Cb -0.08 -3.62 0.06 0.00 0.56 0.00 0.00 36.38 33.30 1joq s VAL 74 CO 0.00 0.10 -0.04 -0.70 -0.31 0.00 0.00 175.10 174.15 1joq s GLU 75 N -2.52 1.63 0.20 4.82 2.12 -0.41 -1.94 118.70 122.60 1joq s GLU 75 Ca 0.38 -1.09 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 1joq s GLU 75 Cb -0.13 -2.63 -0.08 0.00 0.26 0.00 0.00 34.13 31.55 1joq s GLU 75 CO 0.25 -0.64 1.01 -0.06 -0.54 0.00 0.00 175.26 175.28 1joq s PHE 76 N 1.34 3.78 0.00 5.30 0.08 -1.26 -1.11 117.98 126.11 1joq s PHE 76 Ca -0.04 1.77 0.00 0.00 0.12 0.00 0.00 56.93 58.78 1joq s PHE 76 Cb -0.19 -3.13 0.00 0.00 -0.57 0.00 0.00 43.02 39.14 1joq s PHE 76 CO -0.07 -0.04 0.00 -3.47 -0.10 0.00 0.00 175.22 171.53 1joq n ASP 77 N 1.95 0.00 -0.78 1.36 2.03 -1.26 -4.73 116.55 115.12 1joq n ASP 77 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 1joq n ASP 77 Cb 0.47 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.93 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 1.89 0.00 -0.67 0.00 -1.26 -4.93 118.16 113.19 1joq n LYS 78 Ca 0.00 -1.56 0.00 0.00 -0.00 0.00 0.00 58.31 56.75 1joq n LYS 78 Cb 0.00 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 33.56 1joq n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1joq n GLY 79 N 1.38 1.06 0.50 2.58 0.00 -1.26 -4.93 105.19 104.51 1joq n GLY 79 Ca 0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 1joq n GLY 79 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1joq n GLN 80 N 0.00 -1.66 0.00 1.61 6.02 -1.26 -5.00 117.38 117.09 1joq n GLN 80 Ca 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 1joq n GLN 80 Cb 0.00 -0.25 0.00 0.00 1.02 0.00 0.00 30.24 31.01 1joq n GLN 80 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1joq n ARG 81 N -2.17 1.99 -3.72 -1.09 0.63 -1.26 -4.74 116.66 106.30 1joq n ARG 81 Ca 0.02 -0.13 -0.14 0.00 -0.92 0.00 0.00 57.85 56.68 1joq n ARG 81 Cb 0.09 -0.52 -0.09 0.00 0.45 0.00 0.00 32.46 32.38 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1joq s THR 82 N -0.32 0.01 0.00 5.15 -4.23 -1.26 -2.02 115.64 112.97 1joq s THR 82 Ca 0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1joq s THR 82 Cb 0.00 -0.63 0.00 0.00 1.34 0.00 0.00 72.50 73.21 1joq s THR 82 CO 0.00 -0.06 0.00 0.47 -0.54 0.00 0.00 174.62 174.49 1joq n ASP 83 N 2.33 0.00 -0.14 3.99 8.00 -0.82 -4.92 116.55 124.98 1joq n ASP 83 Ca -0.16 -0.88 -0.12 0.00 0.71 0.00 0.00 54.79 54.34 1joq n ASP 83 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.65 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1joq h LYS 84 N 0.00 0.85 0.00 -1.24 2.10 -2.02 -2.30 116.57 113.96 1joq h LYS 84 Ca 0.00 -0.37 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 1joq h LYS 84 Cb 0.00 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.30 1joq h LYS 84 CO 0.00 1.01 0.10 1.88 -2.00 0.00 0.00 179.45 180.44 1joq h TYR 85 N 0.67 0.00 0.00 0.07 -1.99 -2.04 -3.44 116.97 110.24 1joq h TYR 85 Ca 0.09 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.82 1joq h TYR 85 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 1joq h TYR 85 CO 0.06 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 178.63 1joq n GLY 86 N -1.23 0.70 3.87 3.88 0.00 -0.87 -5.06 105.19 106.48 1joq n GLY 86 Ca -0.02 -0.55 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.03 3.62 0.40 1.61 0.52 -1.26 -4.69 118.95 118.12 1joq s ARG 87 Ca 0.00 0.04 -0.23 0.00 -0.52 0.00 0.00 55.73 55.02 1joq s ARG 87 Cb 0.00 -3.15 -0.10 0.00 0.52 0.00 0.00 34.95 32.22 1joq s ARG 87 CO 0.00 0.70 1.00 0.20 0.02 0.00 0.00 175.30 177.22 1joq s GLY 88 N -1.31 2.63 -0.20 -3.53 0.00 -0.48 -1.95 107.32 102.47 1joq s GLY 88 Ca 0.22 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.52 1joq s GLY 88 CO 0.11 0.95 -0.16 1.08 0.00 0.00 0.00 173.10 175.09 1joq s LEU 89 N -2.78 2.44 -0.21 0.66 1.43 -0.86 -2.16 118.68 117.20 1joq s LEU 89 Ca 0.59 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.72 1joq s LEU 89 Cb -0.17 -1.54 0.14 0.00 0.03 0.00 0.00 46.19 44.65 1joq s LEU 89 CO 0.22 -0.03 1.09 0.00 0.23 0.00 0.00 176.35 177.86 1joq s ALA 90 N 1.31 -1.99 -0.13 4.21 0.00 -1.26 -4.42 121.76 119.47 1joq s ALA 90 Ca 0.04 1.70 -0.29 0.00 0.00 0.00 0.00 51.96 53.40 1joq s ALA 90 Cb -0.14 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 1joq s ALA 90 CO -0.10 -0.27 1.36 0.71 0.00 0.00 0.00 175.76 177.46 1joq s TYR 91 N -0.77 2.63 0.20 0.00 2.02 -0.27 -4.54 117.35 116.61 1joq s TYR 91 Ca 0.02 0.80 -0.24 0.00 -0.37 0.00 0.00 57.07 57.27 1joq s TYR 91 Cb -0.02 -3.61 -0.08 0.00 -0.40 0.00 0.00 41.96 37.85 1joq s TYR 91 CO -0.03 -2.27 0.78 0.42 -1.57 0.00 0.00 175.55 172.89 1joq s ILE 92 N 3.59 4.41 -0.07 2.71 1.01 -1.26 -1.29 121.20 130.30 1joq s ILE 92 Ca 0.60 1.60 0.02 0.00 0.00 0.00 0.00 60.65 62.86 1joq s ILE 92 Cb -0.25 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.19 1joq s ILE 92 CO 0.19 0.39 -0.11 -0.31 0.00 0.00 0.00 174.94 175.10 1joq s TYR 93 N -1.30 1.39 -0.09 3.97 1.51 -0.67 -1.52 117.35 120.63 1joq s TYR 93 Ca 0.39 -0.52 0.04 0.00 -1.01 0.00 0.00 57.07 55.98 1joq s TYR 93 Cb -0.21 -1.04 -0.00 0.00 -0.11 0.00 0.00 41.96 40.60 1joq s TYR 93 CO 0.24 -0.28 -0.23 0.00 -1.11 0.00 0.00 175.55 174.18 1joq s ALA 94 N 0.74 2.04 0.00 3.71 0.00 0.08 -2.27 121.76 126.06 1joq s ALA 94 Ca -0.13 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1joq s ALA 94 Cb -0.15 -0.75 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1joq s ALA 94 CO 0.03 0.29 0.00 -0.25 0.00 0.00 0.00 175.76 175.82 1joq n ASP 95 N 3.46 -4.37 0.00 0.00 9.92 -0.74 -1.66 116.55 123.16 1joq n ASP 95 Ca -0.19 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1joq n ASP 95 Cb 0.53 -2.35 0.00 0.00 -0.64 0.00 0.00 41.12 38.65 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 -0.59 0.26 3.87 0.44 0.00 -1.26 -5.03 105.19 102.88 1joq n GLY 96 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1joq n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1joq s LYS 97 N -0.95 2.78 -0.31 1.61 2.20 -0.66 -5.07 119.74 119.33 1joq s LYS 97 Ca 0.00 -1.25 -0.24 0.00 -0.36 0.00 0.00 55.97 54.11 1joq s LYS 97 Cb 0.00 -2.52 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1joq s LYS 97 CO 0.00 0.10 0.83 1.41 -0.36 0.00 0.00 175.35 177.33 1joq s MET 98 N -4.01 3.98 0.14 4.03 -2.45 -1.26 -0.74 119.30 118.99 1joq s MET 98 Ca 0.41 0.66 -0.18 0.00 -1.25 0.00 0.00 55.69 55.33 1joq s MET 98 Cb -0.06 -3.73 0.03 0.00 1.25 0.00 0.00 34.83 32.32 1joq s MET 98 CO 0.27 -0.71 1.71 0.28 1.05 0.00 0.00 175.02 177.62 1joq h VAL 99 N 5.61 0.77 -0.36 10.11 2.07 -1.61 -1.37 116.25 131.48 1joq h VAL 99 Ca -0.24 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.34 1joq h VAL 99 Cb 1.09 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 1joq h VAL 99 CO 0.90 0.01 -0.23 0.78 0.02 0.00 0.00 177.57 179.05 1joq h ASN 100 N 0.07 -0.77 -0.20 0.57 4.21 -1.92 0.33 115.58 117.86 1joq h ASN 100 Ca 0.14 0.16 0.04 0.00 1.21 0.00 0.00 56.30 57.84 1joq h ASN 100 Cb 0.19 0.39 -0.01 0.00 -1.12 0.00 0.00 38.32 37.77 1joq h ASN 100 CO -0.25 -0.26 0.14 -0.08 -1.29 0.00 0.00 177.43 175.70 1joq h GLU 101 N -0.18 0.09 -0.47 0.81 4.22 -1.78 -1.34 114.58 115.93 1joq h GLU 101 Ca 0.18 -0.01 -0.04 0.00 0.08 0.00 0.00 59.36 59.57 1joq h GLU 101 Cb 0.46 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 1joq h GLU 101 CO -0.47 0.06 0.13 0.00 -2.18 0.00 0.00 179.01 176.56 1joq h ALA 102 N 1.89 0.62 -0.13 2.92 0.00 0.71 -1.90 119.26 123.37 1joq h ALA 102 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1joq h ALA 102 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1joq h ALA 102 CO -0.01 0.28 0.03 -0.07 0.00 0.00 0.00 179.25 179.49 1joq h LEU 103 N 0.63 0.20 -1.25 0.00 3.38 -0.40 -2.52 115.31 115.34 1joq h LEU 103 Ca 0.15 -0.22 0.13 0.00 0.09 0.00 0.00 57.88 58.03 1joq h LEU 103 Cb 0.29 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1joq h LEU 103 CO -0.00 0.37 0.58 0.58 0.09 0.00 0.00 178.44 180.05 1joq h VAL 104 N 0.01 0.86 -0.24 1.22 2.07 -1.28 0.36 116.25 119.26 1joq h VAL 104 Ca 0.04 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1joq h VAL 104 Cb 0.25 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 1joq h VAL 104 CO 0.00 0.14 0.11 -0.09 0.02 0.00 0.00 177.57 177.75 1joq h ARG 105 N 0.75 0.35 0.00 1.57 2.43 -0.96 -1.54 114.38 116.98 1joq h ARG 105 Ca 0.45 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.56 1joq h ARG 105 Cb 0.65 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1joq h ARG 105 CO -0.21 0.36 0.00 0.37 -1.51 0.00 0.00 179.97 178.98 1joq h GLN 106 N 0.25 0.00 -0.67 0.20 -0.00 -0.76 -3.46 115.11 110.67 1joq h GLN 106 Ca 0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1joq h GLN 106 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.61 1joq h GLN 106 CO -0.01 0.00 -0.00 0.41 0.00 0.00 0.00 178.83 179.23 1joq n GLY 107 N -0.09 0.75 0.00 2.39 0.00 -0.03 -4.68 105.19 103.53 1joq n GLY 107 Ca 0.01 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.34 0.14 -4.03 0.99 4.77 -0.98 -3.58 117.00 113.97 1joq n LEU 108 Ca -0.00 -0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 55.64 1joq n LEU 108 Cb 0.50 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1joq n LEU 108 CO 0.00 0.03 -0.42 0.00 -1.33 0.00 0.00 177.39 175.68 1joq s ALA 109 N -2.28 0.66 0.28 -1.18 0.00 -1.25 -4.08 121.76 113.91 1joq s ALA 109 Ca -0.01 -0.51 0.11 0.00 0.00 0.00 0.00 51.96 51.55 1joq s ALA 109 Cb 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 23.12 23.03 1joq s ALA 109 CO 0.34 0.10 -0.10 -1.59 0.00 0.00 0.00 175.76 174.51 1joq s LYS 110 N -0.72 1.98 0.39 0.00 -2.85 -1.04 -4.02 119.74 113.48 1joq s LYS 110 Ca -0.01 -1.61 -0.25 0.00 -1.00 0.00 0.00 55.97 53.10 1joq s LYS 110 Cb -0.06 -1.96 -0.09 0.00 -2.06 0.00 0.00 37.83 33.67 1joq s LYS 110 CO 0.00 0.34 1.07 0.08 0.10 0.00 0.00 175.35 176.94 1joq s VAL 111 N -2.43 3.61 0.11 1.79 1.01 -1.26 0.50 120.40 123.72 1joq s VAL 111 Ca 0.31 1.27 -0.25 0.00 0.00 0.00 0.00 61.98 63.31 1joq s VAL 111 Cb -0.05 -3.68 0.09 0.00 0.00 0.00 0.00 36.38 32.73 1joq s VAL 111 CO 0.17 0.05 1.12 0.00 0.00 0.00 0.00 175.10 176.44 1joq s ALA 112 N -1.58 -1.89 -0.36 5.51 0.00 -0.96 -4.72 121.76 117.76 1joq s ALA 112 Ca 0.57 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.36 1joq s ALA 112 Cb -0.24 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.61 1joq s ALA 112 CO 0.30 -1.08 0.46 0.66 0.00 0.00 0.00 175.76 176.11 1joq n TYR 113 N -0.69 -3.08 -3.44 0.00 4.01 -1.26 -2.72 117.16 109.97 1joq n TYR 113 Ca -0.03 1.26 -0.43 0.00 -0.16 0.00 0.00 57.90 58.54 1joq n TYR 113 Cb 0.60 -3.75 -0.07 0.00 -0.31 0.00 0.00 39.34 35.81 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 -2.29 4.71 -0.04 -0.72 1.01 -1.26 -4.21 120.40 117.60 1joq s VAL 114 Ca 0.19 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.59 1joq s VAL 114 Cb -0.05 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.32 1joq s VAL 114 CO 0.67 -0.79 -0.02 -0.31 0.00 0.00 0.00 175.10 174.65 1joq s TYR 115 N 1.49 0.57 0.38 5.22 2.02 -1.26 -5.10 117.35 120.67 1joq s TYR 115 Ca 0.04 -0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.57 1joq s TYR 115 Cb -0.28 -0.57 -0.05 0.00 -0.40 0.00 0.00 41.96 40.67 1joq s TYR 115 CO 0.02 -0.17 0.67 0.15 -1.57 0.00 0.00 175.55 174.65 1joq s LYS 116 N 1.01 3.62 -0.19 -0.62 1.02 -1.26 -0.79 119.74 122.52 1joq s LYS 116 Ca -0.10 0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.03 1joq s LYS 116 Cb -0.14 -2.51 0.28 0.00 -0.52 0.00 0.00 37.83 34.94 1joq s LYS 116 CO -0.01 0.02 1.38 -0.35 -0.92 0.00 0.00 175.35 175.47 1joq n PRO 117 N -1.55 1.55 -2.85 -1.68 -0.04 -1.26 -5.00 135.00 124.16 1joq n PRO 117 Ca -0.01 -1.26 -0.43 0.00 -0.04 0.00 0.00 63.50 61.76 1joq n PRO 117 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.51 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 -0.18 5.68 -0.72 3.54 3.02 0.03 -4.18 115.26 122.45 1joq n ASN 118 Ca 0.25 -3.19 -0.04 0.00 -0.03 0.00 0.00 54.58 51.57 1joq n ASN 118 Cb 0.99 -1.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.72 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 3.00 -0.52 0.00 6.41 6.94 -1.25 -4.29 115.26 125.54 1joq n ASN 119 Ca 0.32 -1.25 0.22 0.00 -0.02 0.00 0.00 54.58 53.85 1joq n ASN 119 Cb 0.37 0.16 0.73 0.00 -2.36 0.00 0.00 39.78 38.67 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 3.66 0.49 -1.72 5.53 2.02 -1.95 0.25 112.91 121.20 1joq h THR 120 Ca -0.30 0.00 -0.71 0.00 0.77 0.00 0.00 66.41 66.17 1joq h THR 120 Cb 1.04 0.64 -0.31 0.00 -1.74 0.00 0.00 68.15 67.78 1joq h THR 120 CO -0.15 0.00 0.62 1.41 0.37 0.00 0.00 175.52 177.77 1joq n HIS 121 N -3.99 3.09 -0.05 3.16 8.25 -1.26 -4.69 115.22 119.72 1joq n HIS 121 Ca 0.11 -2.57 -0.01 0.00 -0.26 0.00 0.00 57.72 54.99 1joq n HIS 121 Cb 0.71 -0.98 -0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 2.75 0.00 -0.06 -0.41 4.81 -1.34 -3.12 114.58 117.21 1joq h GLU 122 Ca 0.52 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 1joq h GLU 122 Cb 0.36 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1joq h GLU 122 CO 1.32 0.00 0.04 1.96 -0.73 0.00 0.00 179.01 181.60 1joq h GLN 123 N -0.96 0.08 0.36 1.92 4.20 -1.83 -1.58 115.11 117.30 1joq h GLN 123 Ca 0.00 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1joq h GLN 123 Cb 0.16 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1joq h GLN 123 CO 0.00 0.05 -0.18 1.25 -0.67 0.00 0.00 178.83 179.29 1joq h LEU 124 N 0.08 -0.41 -2.31 1.46 7.12 -1.88 -1.38 115.31 117.99 1joq h LEU 124 Ca 0.02 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.05 1joq h LEU 124 Cb -0.01 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.23 1joq h LEU 124 CO -0.00 -0.25 0.23 -0.07 -0.13 0.00 0.00 178.44 178.22 1joq h LEU 125 N -0.59 0.00 -0.08 2.25 3.38 -1.46 0.10 115.31 118.91 1joq h LEU 125 Ca -0.05 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.67 1joq h LEU 125 Cb 0.38 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.14 1joq h LEU 125 CO 0.08 0.00 -1.01 0.03 0.09 0.00 0.00 178.44 177.64 1joq h ARG 126 N 0.00 0.56 -0.24 1.13 3.08 -0.93 -1.33 114.38 116.64 1joq h ARG 126 Ca 0.00 -0.61 -0.05 0.00 0.07 0.00 0.00 59.98 59.39 1joq h ARG 126 Cb 0.47 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1joq h ARG 126 CO -0.00 1.22 -0.06 -0.22 -1.07 0.00 0.00 179.97 179.85 1joq h LYS 127 N 0.31 0.46 0.00 0.04 1.63 0.33 -1.48 116.57 117.86 1joq h LYS 127 Ca -0.11 -0.18 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 1joq h LYS 127 Cb 1.65 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 33.24 1joq h LYS 127 CO 0.19 0.69 -0.39 0.77 -3.45 0.00 0.00 179.45 177.25 1joq h SER 128 N 0.20 0.00 -0.41 4.20 0.02 -1.53 -2.39 113.55 113.63 1joq h SER 128 Ca 0.06 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1joq h SER 128 Cb 0.52 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1joq h SER 128 CO 0.02 0.39 -0.30 -0.08 -1.14 0.00 0.00 176.83 175.72 1joq h GLU 129 N 0.00 0.95 -0.12 3.45 4.22 -0.94 -2.22 114.58 119.92 1joq h GLU 129 Ca -0.00 -0.45 -0.09 0.00 0.08 0.00 0.00 59.36 58.90 1joq h GLU 129 Cb 0.69 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1joq h GLU 129 CO 0.05 1.11 -0.34 0.00 -2.18 0.00 0.00 179.01 177.65 1joq h ALA 130 N 0.85 1.21 -0.36 2.92 0.00 -0.96 -0.82 119.26 122.10 1joq h ALA 130 Ca 0.09 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.51 1joq h ALA 130 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1joq h ALA 130 CO 0.08 0.53 -0.27 0.37 0.00 0.00 0.00 179.25 179.96 1joq h GLN 131 N 0.20 0.75 0.00 0.00 5.75 -1.17 -2.34 115.11 118.30 1joq h GLN 131 Ca 0.03 -0.32 -0.13 0.00 -0.15 0.00 0.00 58.65 58.07 1joq h GLN 131 Cb 0.71 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1joq h GLN 131 CO 0.05 0.93 -0.62 0.00 -2.65 0.00 0.00 178.83 176.55 1joq h ALA 132 N 1.05 0.76 0.06 3.38 0.00 -1.03 -2.41 119.26 121.07 1joq h ALA 132 Ca 0.08 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1joq h ALA 132 Cb 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1joq h ALA 132 CO 0.06 0.77 -0.03 -0.22 0.00 0.00 0.00 179.25 179.84 1joq h LYS 133 N 0.00 -0.07 -0.32 0.00 3.64 -0.82 0.08 116.57 119.08 1joq h LYS 133 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1joq h LYS 133 Cb 1.27 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1joq h LYS 133 CO 0.08 0.25 -0.04 0.87 -2.27 0.00 0.00 179.45 178.34 1joq h LYS 134 N -0.40 0.51 0.00 1.90 1.79 -1.47 -0.33 116.57 118.57 1joq h LYS 134 Ca -0.01 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1joq h LYS 134 Cb 0.36 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1joq h LYS 134 CO 0.01 0.57 0.00 0.93 -1.08 0.00 0.00 179.45 179.88 1joq h GLU 135 N 0.48 0.00 -6.46 3.15 5.08 -1.20 -3.47 114.58 112.16 1joq h GLU 135 Ca 0.10 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 58.03 1joq h GLU 135 Cb 0.38 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.65 1joq h GLU 135 CO 0.02 0.00 -0.88 1.63 -1.00 0.00 0.00 179.01 178.77 1joq n LYS 136 N -2.75 -1.16 -3.55 2.33 5.02 -0.00 -4.90 118.16 113.14 1joq n LYS 136 Ca 0.01 0.65 -0.41 0.00 -2.02 0.00 0.00 58.31 56.54 1joq n LYS 136 Cb 0.29 -3.28 -0.09 0.00 -0.02 0.00 0.00 35.03 31.93 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 5.32 0.00 -0.35 0.20 -1.22 -4.61 118.68 112.30 1joq s LEU 137 Ca 0.22 -1.51 0.00 0.00 0.69 0.00 0.00 54.13 53.53 1joq s LEU 137 Cb -0.10 -2.03 0.00 0.00 -0.43 0.00 0.00 46.19 43.63 1joq s LEU 137 CO 0.88 -0.58 0.00 0.59 -0.29 0.00 0.00 176.35 176.95 1joq n ASN 138 N 4.98 0.00 -0.66 3.68 3.02 -1.26 -3.52 115.26 121.51 1joq n ASN 138 Ca -0.10 0.00 0.49 0.00 -0.03 0.00 0.00 54.58 54.94 1joq n ASN 138 Cb 0.43 0.00 0.76 0.00 -0.61 0.00 0.00 39.78 40.36 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 0.00 -1.18 2.41 5.41 -1.23 -0.14 119.36 124.63 1joq n ILE 139 Ca 0.00 1.37 -0.20 0.00 1.00 0.00 0.00 62.75 64.93 1joq n ILE 139 Cb 0.00 -2.29 -0.05 0.00 -0.71 0.00 0.00 39.64 36.59 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 -3.76 1.15 -3.56 1.39 7.02 -1.23 -4.75 117.44 113.70 1joq n TRP 140 Ca 0.41 -1.79 -0.39 0.00 -1.02 0.00 0.00 57.50 54.70 1joq n TRP 140 Cb 1.87 -1.26 -0.06 0.00 -2.42 0.00 0.00 31.31 29.44 1joq n TRP 140 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1joq s SER 141 N 0.76 6.13 0.32 -0.99 0.01 0.81 -3.81 113.70 116.93 1joq s SER 141 Ca 0.50 -3.29 0.00 0.00 1.31 0.00 0.00 55.95 54.47 1joq s SER 141 Cb 0.31 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1joq s SER 141 CO -0.11 -0.32 0.00 -0.62 0.41 0.00 0.00 173.24 172.60 1joq n GLU 142 N 2.98 1.04 -0.08 12.44 -0.58 -1.26 -5.05 120.64 130.14 1joq n GLU 142 Ca 0.17 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.80 1joq n GLU 142 Cb 0.39 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.18 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1joq n ASP 143 N -1.59 2.54 -3.64 1.62 2.03 -1.26 -5.04 116.55 111.21 1joq n ASP 143 Ca 0.00 -0.07 -0.05 0.00 0.52 0.00 0.00 54.79 55.18 1joq n ASP 143 Cb 0.00 -0.07 -0.07 0.00 -0.72 0.00 0.00 41.12 40.27 1joq n ASP 143 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1joq s ASN 144 N -5.43 -0.61 -0.15 1.67 2.20 -1.26 -5.16 114.94 106.21 1joq s ASN 144 Ca -0.19 1.01 -0.08 0.00 -0.94 0.00 0.00 52.86 52.65 1joq s ASN 144 Cb 0.05 1.20 0.05 0.00 -2.00 0.00 0.00 41.25 40.55 1joq s ASN 144 CO 0.41 -0.16 0.35 0.00 -2.94 0.00 0.00 177.10 174.76 1joq s ALA 145 N 1.15 -0.88 0.00 3.54 0.00 -1.26 -5.15 121.76 119.16 1joq s ALA 145 Ca -0.06 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1joq s ALA 145 Cb -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.29 1joq s ALA 145 CO -0.14 -0.23 0.00 -3.47 0.00 0.00 0.00 175.76 171.92 1joq n ASP 146 N 4.06 0.00 -3.31 0.00 -0.08 -1.26 -5.16 116.55 110.80 1joq n ASP 146 Ca -0.23 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.84 1joq n ASP 146 Cb 0.55 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.18 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 0.16 -0.98 -4.59 1.67 2.88 -1.26 -5.01 113.62 106.50 1joq n SER 147 Ca 0.00 -1.14 -0.37 0.00 -1.33 0.00 0.00 58.87 56.03 1joq n SER 147 Cb 0.00 -0.73 -0.11 0.00 -0.75 0.00 0.00 64.21 62.62 1joq n SER 147 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1joq s GLY 148 N -4.44 1.92 0.00 0.46 0.00 -1.26 -5.30 107.32 98.70 1joq s GLY 148 Ca 0.53 -1.03 0.29 0.00 0.00 0.00 0.00 44.72 44.51 1joq s GLY 148 CO 0.39 0.54 2.05 -0.18 0.00 0.00 0.00 173.10 175.90