#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1joq s THR 2 N 0.00 0.02 -0.96 0.00 -1.32 -1.26 -4.96 115.64 107.17 1joq s THR 2 Ca 0.00 -0.19 -0.09 0.00 -1.21 0.00 0.00 61.69 60.20 1joq s THR 2 Cb 0.00 -0.62 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 1joq s THR 2 CO 0.00 -0.11 0.77 -1.20 -2.21 0.00 0.00 174.62 171.88 1joq n SER 3 N 2.07 -6.33 -3.73 8.08 7.64 -1.26 -4.92 113.62 115.17 1joq n SER 3 Ca -0.17 -0.66 -0.34 0.00 1.01 0.00 0.00 58.87 58.71 1joq n SER 3 Cb 0.57 -4.16 -0.05 0.00 -1.01 0.00 0.00 64.21 59.56 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 -3.04 3.55 -0.15 0.44 -1.04 -1.26 -4.72 114.28 108.07 1joq n THR 4 Ca -0.09 -5.48 0.02 0.00 -2.04 0.00 0.00 64.05 56.46 1joq n THR 4 Cb 0.58 -2.13 0.03 0.00 -1.82 0.00 0.00 70.33 67.00 1joq n THR 4 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1joq n LYS 5 N 1.21 2.78 -3.79 -2.82 4.81 -1.26 -5.00 118.16 114.10 1joq n LYS 5 Ca 0.27 -1.68 -0.13 0.00 -0.87 0.00 0.00 58.31 55.91 1joq n LYS 5 Cb 0.37 -1.08 -0.13 0.00 0.02 0.00 0.00 35.03 34.21 1joq n LYS 5 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1joq s LYS 6 N -1.25 0.18 0.00 1.64 1.02 -1.26 -5.15 119.74 114.92 1joq s LYS 6 Ca 0.06 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.36 1joq s LYS 6 Cb 0.04 0.00 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1joq s LYS 6 CO 0.01 -0.08 0.00 1.28 -0.92 0.00 0.00 175.35 175.65 1joq n LEU 7 N 3.44 0.00 -3.71 3.17 4.77 -1.26 -5.02 117.00 118.38 1joq n LEU 7 Ca -0.17 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.67 1joq n LEU 7 Cb 0.56 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 1joq n LEU 7 CO 0.19 0.00 0.13 -2.28 -1.33 0.00 0.00 177.39 174.10 1joq s HIS 8 N 0.88 -0.43 -0.13 -1.77 5.65 -1.26 -5.12 115.29 113.10 1joq s HIS 8 Ca 0.00 0.97 -0.09 0.00 0.25 0.00 0.00 55.06 56.19 1joq s HIS 8 Cb 0.00 0.18 -0.04 0.00 -1.18 0.00 0.00 32.58 31.53 1joq s HIS 8 CO 0.00 -0.31 0.17 0.15 -0.65 0.00 0.00 174.74 174.09 1joq s LYS 9 N -0.30 3.71 0.18 2.88 1.02 -1.26 -4.26 119.74 121.71 1joq s LYS 9 Ca -0.04 -0.10 0.01 0.00 0.02 0.00 0.00 55.97 55.86 1joq s LYS 9 Cb -0.03 -3.26 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1joq s LYS 9 CO 0.02 0.62 0.04 -1.21 -0.92 0.00 0.00 175.35 173.90 1joq s GLU 10 N -0.60 1.13 0.97 1.68 8.01 -0.79 -4.98 118.70 124.12 1joq s GLU 10 Ca 0.14 -1.56 -0.16 0.00 0.01 0.00 0.00 54.97 53.41 1joq s GLU 10 Cb -0.12 -0.13 0.19 0.00 -4.31 0.00 0.00 34.13 29.76 1joq s GLU 10 CO 0.03 -0.20 1.25 -1.25 0.01 0.00 0.00 175.26 175.10 1joq s PRO 11 N -3.98 0.58 0.21 0.39 0.04 -1.26 -0.46 135.00 130.52 1joq s PRO 11 Ca 0.27 -0.20 -0.22 0.00 0.04 0.00 0.00 61.00 60.88 1joq s PRO 11 Cb 0.07 -1.82 0.06 0.00 0.04 0.00 0.00 34.50 32.85 1joq s PRO 11 CO 0.06 -2.49 0.93 0.00 0.04 0.00 0.00 177.00 175.53 1joq s ALA 12 N -3.63 -1.45 -0.04 8.56 0.00 0.19 -4.33 121.76 121.06 1joq s ALA 12 Ca 0.71 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.52 1joq s ALA 12 Cb -0.07 0.70 -0.00 0.00 0.00 0.00 0.00 23.12 23.75 1joq s ALA 12 CO 0.53 -1.04 -0.15 0.99 0.00 0.00 0.00 175.76 176.09 1joq s THR 13 N -2.94 1.27 -0.45 0.00 2.01 -0.72 -4.54 115.64 110.28 1joq s THR 13 Ca 0.15 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1joq s THR 13 Cb -0.03 -1.10 0.03 0.00 0.01 0.00 0.00 72.50 71.41 1joq s THR 13 CO 0.05 0.37 0.92 -0.22 -0.69 0.00 0.00 174.62 175.05 1joq s LEU 14 N 0.09 4.02 -0.22 4.42 1.98 -1.26 -0.58 118.68 127.12 1joq s LEU 14 Ca -0.04 0.17 -0.17 0.00 -2.89 0.00 0.00 54.13 51.20 1joq s LEU 14 Cb -0.11 -3.19 -0.13 0.00 0.66 0.00 0.00 46.19 43.42 1joq s LEU 14 CO 0.02 -1.01 -0.09 -0.38 -1.89 0.00 0.00 176.35 173.00 1joq n ILE 15 N 6.34 1.52 -3.21 6.68 5.41 -0.61 -4.98 119.36 130.51 1joq n ILE 15 Ca 0.06 -0.11 0.04 0.00 1.00 0.00 0.00 62.75 63.75 1joq n ILE 15 Cb 0.48 -2.06 -0.02 0.00 -0.71 0.00 0.00 39.64 37.33 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 -2.45 0.23 0.36 0.38 2.20 -1.00 -5.03 119.74 114.43 1joq s LYS 16 Ca -0.31 0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 55.50 1joq s LYS 16 Cb 0.08 0.27 -0.09 0.00 -1.51 0.00 0.00 37.83 36.58 1joq s LYS 16 CO 0.49 -0.20 1.21 0.00 -0.36 0.00 0.00 175.35 176.50 1joq s ALA 17 N 2.76 3.32 -0.01 3.13 0.00 -1.26 -2.37 121.76 127.33 1joq s ALA 17 Ca 0.00 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.01 1joq s ALA 17 Cb -0.09 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1joq s ALA 17 CO -0.14 -0.52 -0.04 -0.89 0.00 0.00 0.00 175.76 174.17 1joq n ILE 18 N 0.51 0.25 -2.46 0.00 5.41 -0.88 -4.89 119.36 117.29 1joq n ILE 18 Ca 0.02 0.30 0.00 0.00 1.00 0.00 0.00 62.75 64.07 1joq n ILE 18 Cb 0.44 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.92 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 -2.78 1.07 0.06 4.38 8.00 -0.56 -4.90 116.55 121.81 1joq n ASP 19 Ca -0.02 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.50 1joq n ASP 19 Cb 0.06 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.10 1joq n ASP 19 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1joq h GLY 20 N 0.00 0.00 -0.49 0.44 0.00 -1.83 -3.35 103.07 97.84 1joq h GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1joq h GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.76 1joq n ASP 21 N -2.95 1.86 -4.00 0.19 9.92 -1.26 -4.81 116.55 115.50 1joq n ASP 21 Ca -0.06 -1.55 -0.26 0.00 -0.53 0.00 0.00 54.79 52.38 1joq n ASP 21 Cb 0.80 -0.05 -0.17 0.00 -0.64 0.00 0.00 41.12 41.06 1joq n ASP 21 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1joq s THR 22 N -0.68 1.19 -0.08 -3.53 -4.23 -1.26 -1.70 115.64 105.35 1joq s THR 22 Ca 0.08 -0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 60.06 1joq s THR 22 Cb 0.05 -1.12 0.03 0.00 1.34 0.00 0.00 72.50 72.80 1joq s THR 22 CO 0.07 0.38 0.20 0.68 -0.54 0.00 0.00 174.62 175.41 1joq s VAL 23 N 1.01 -0.02 -0.27 2.29 -7.23 -0.94 -1.50 120.40 113.74 1joq s VAL 23 Ca -0.08 0.06 -0.20 0.00 -1.81 0.00 0.00 61.98 59.95 1joq s VAL 23 Cb -0.15 -0.30 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 1joq s VAL 23 CO -0.01 0.02 0.63 -0.54 -0.31 0.00 0.00 175.10 174.90 1joq s LYS 24 N 0.50 4.04 0.05 4.82 1.02 -1.00 -1.15 119.74 128.02 1joq s LYS 24 Ca -0.03 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.43 1joq s LYS 24 Cb -0.05 -3.68 -0.00 0.00 -0.52 0.00 0.00 37.83 33.59 1joq s LYS 24 CO -0.03 -0.47 0.02 1.28 -0.92 0.00 0.00 175.35 175.23 1joq n LEU 25 N 5.77 0.00 -4.13 3.17 4.77 -0.99 -1.57 117.00 124.02 1joq n LEU 25 Ca -0.01 -0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 55.28 1joq n LEU 25 Cb 0.49 0.12 -0.17 0.00 -2.33 0.00 0.00 43.42 41.53 1joq n LEU 25 CO 0.44 -0.06 -0.52 -0.32 -1.33 0.00 0.00 177.39 175.60 1joq s MET 26 N -2.20 2.58 -0.17 3.23 1.75 0.25 -1.86 119.30 122.88 1joq s MET 26 Ca 0.02 -0.70 0.01 0.00 -1.25 0.00 0.00 55.69 53.76 1joq s MET 26 Cb 0.00 -2.07 0.03 0.00 2.84 0.00 0.00 34.83 35.63 1joq s MET 26 CO 0.02 0.04 -0.13 -0.47 -0.65 0.00 0.00 175.02 173.82 1joq s TYR 27 N 0.70 2.27 -0.41 4.11 5.04 -0.69 -1.75 117.35 126.62 1joq s TYR 27 Ca -0.12 -1.36 0.00 0.00 -2.44 0.00 0.00 57.07 53.15 1joq s TYR 27 Cb -0.16 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.53 1joq s TYR 27 CO 0.02 -0.70 0.00 1.63 -1.34 0.00 0.00 175.55 175.16 1joq n LYS 28 N 4.74 -1.63 -0.07 4.97 4.01 -1.26 -1.64 118.16 127.27 1joq n LYS 28 Ca -0.16 0.58 0.00 0.00 -0.51 0.00 0.00 58.31 58.22 1joq n LYS 28 Cb 0.49 -4.88 0.00 0.00 -0.51 0.00 0.00 35.03 30.13 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 0.21 1.44 2.77 0.72 0.00 -1.26 -5.08 105.19 103.99 1joq n GLY 29 Ca -0.04 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.62 0.75 -0.41 1.61 2.00 -0.65 -5.09 119.66 117.24 1joq s GLN 30 Ca 0.00 -0.23 -0.28 0.00 -2.00 0.00 0.00 55.36 52.85 1joq s GLN 30 Cb 0.00 -1.66 -0.01 0.00 0.80 0.00 0.00 33.01 32.13 1joq s GLN 30 CO 0.00 -0.48 1.74 -1.25 -0.50 0.00 0.00 175.29 174.80 1joq s PRO 31 N 1.87 3.22 0.03 1.67 0.04 -1.26 -1.70 135.00 138.87 1joq s PRO 31 Ca 0.02 1.15 0.01 0.00 0.04 0.00 0.00 61.00 62.22 1joq s PRO 31 Cb -0.15 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.16 1joq s PRO 31 CO -0.07 -1.99 -0.05 -1.64 0.04 0.00 0.00 177.00 173.28 1joq s MET 32 N 5.83 0.42 0.58 4.56 -1.94 -0.78 -4.97 119.30 122.99 1joq s MET 32 Ca 0.73 -0.64 -0.15 0.00 -1.71 0.00 0.00 55.69 53.93 1joq s MET 32 Cb -0.19 -0.13 -0.05 0.00 2.01 0.00 0.00 34.83 36.48 1joq s MET 32 CO 0.31 0.01 1.02 -0.08 -0.01 0.00 0.00 175.02 176.27 1joq s THR 33 N -1.29 4.25 0.03 2.05 -1.32 -1.26 -2.35 115.64 115.75 1joq s THR 33 Ca -0.11 0.98 0.04 0.00 -1.21 0.00 0.00 61.69 61.39 1joq s THR 33 Cb -0.09 -3.59 -0.02 0.00 -1.51 0.00 0.00 72.50 67.29 1joq s THR 33 CO -0.00 -0.71 -0.12 -0.36 -2.21 0.00 0.00 174.62 171.22 1joq s PHE 34 N -2.70 1.03 -0.10 9.09 0.40 -0.30 -2.23 117.98 123.17 1joq s PHE 34 Ca 0.60 -0.33 0.03 0.00 -0.60 0.00 0.00 56.93 56.63 1joq s PHE 34 Cb -0.13 -0.62 0.01 0.00 0.51 0.00 0.00 43.02 42.79 1joq s PHE 34 CO 0.39 0.01 -0.20 0.50 0.70 0.00 0.00 175.22 176.62 1joq s ARG 35 N -1.00 2.61 0.31 0.44 6.06 -0.86 -2.21 118.95 124.29 1joq s ARG 35 Ca 0.00 -0.72 -0.29 0.00 -2.50 0.00 0.00 55.73 52.22 1joq s ARG 35 Cb -0.07 -2.04 -0.12 0.00 0.06 0.00 0.00 34.95 32.77 1joq s ARG 35 CO 0.01 0.09 1.42 1.28 -2.50 0.00 0.00 175.30 175.60 1joq n LEU 36 N 3.74 3.80 -4.88 -0.88 4.77 -0.69 -4.00 117.00 118.86 1joq n LEU 36 Ca -0.20 1.18 -0.31 0.00 -0.03 0.00 0.00 56.01 56.64 1joq n LEU 36 Cb 0.52 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1joq n LEU 36 CO 0.27 -0.24 0.23 -0.76 -1.33 0.00 0.00 177.39 175.55 1joq s LEU 37 N -0.74 4.14 0.00 2.23 1.43 -1.26 -4.05 118.68 120.43 1joq s LEU 37 Ca 0.61 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1joq s LEU 37 Cb -0.56 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 41.98 1joq s LEU 37 CO 0.56 -0.10 0.00 0.18 0.23 0.00 0.00 176.35 177.21 1joq n LEU 38 N -0.30 0.89 -3.93 1.79 4.77 -1.26 -4.93 117.00 114.03 1joq n LEU 38 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 1joq n LEU 38 Cb 0.53 -2.16 -0.14 0.00 -2.33 0.00 0.00 43.42 39.32 1joq n LEU 38 CO 0.46 -0.83 -0.38 0.68 -1.33 0.00 0.00 177.39 175.99 1joq s VAL 39 N -1.14 0.21 -0.09 4.08 -7.23 -1.25 -2.06 120.40 112.92 1joq s VAL 39 Ca 0.00 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1joq s VAL 39 Cb 0.00 -0.22 0.01 0.00 0.56 0.00 0.00 36.38 36.74 1joq s VAL 39 CO 0.00 -0.06 -0.16 -0.62 -0.31 0.00 0.00 175.10 173.95 1joq s ASP 40 N -0.38 2.38 0.35 4.85 -1.08 -0.61 -4.76 116.67 117.42 1joq s ASP 40 Ca -0.02 -0.42 -0.27 0.00 -0.52 0.00 0.00 52.55 51.32 1joq s ASP 40 Cb -0.03 -1.08 -0.09 0.00 -1.46 0.00 0.00 42.92 40.26 1joq s ASP 40 CO -0.00 0.05 1.12 0.28 0.52 0.00 0.00 175.17 177.14 1joq s THR 41 N 0.75 3.39 0.10 1.71 -1.32 -1.26 -2.57 115.64 116.44 1joq s THR 41 Ca -0.12 1.25 -0.02 0.00 -1.21 0.00 0.00 61.69 61.59 1joq s THR 41 Cb -0.16 -3.73 0.02 0.00 -1.51 0.00 0.00 72.50 67.12 1joq s THR 41 CO 0.02 0.18 0.13 -0.81 -2.21 0.00 0.00 174.62 171.93 1joq n PRO 42 N 0.53 -0.26 -1.54 7.08 -0.04 -1.26 -4.94 135.00 134.57 1joq n PRO 42 Ca 0.02 -0.20 -0.47 0.00 -0.04 0.00 0.00 63.50 62.81 1joq n PRO 42 Cb 0.46 -0.14 -0.03 0.00 -0.04 0.00 0.00 33.50 33.76 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 -1.35 0.94 -2.66 0.54 2.13 -1.26 -4.87 120.64 114.12 1joq n GLU 43 Ca 0.02 0.33 -0.04 0.00 0.66 0.00 0.00 57.16 58.13 1joq n GLU 43 Cb 0.06 -1.65 0.01 0.00 0.27 0.00 0.00 31.44 30.13 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 1joq n THR 44 N 0.52 0.00 0.00 6.31 5.66 -1.26 -4.10 114.28 121.41 1joq n THR 44 Ca 0.13 -0.67 0.00 0.00 -3.05 0.00 0.00 64.05 60.46 1joq n THR 44 Cb 0.28 0.67 0.00 0.00 -1.55 0.00 0.00 70.33 69.73 1joq n THR 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1joq n LYS 45 N -0.34 0.00 -1.89 1.09 4.76 -1.26 -4.85 118.16 115.66 1joq n LYS 45 Ca -0.23 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.79 1joq n LYS 45 Cb 0.67 -0.03 -0.02 0.00 -1.84 0.00 0.00 35.03 33.81 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1joq s HIS 46 N 0.00 2.84 -0.29 2.13 3.76 -1.26 -4.89 115.29 117.57 1joq s HIS 46 Ca 0.00 1.01 0.20 0.00 -0.15 0.00 0.00 55.06 56.12 1joq s HIS 46 Cb 0.00 -3.94 0.15 0.00 1.11 0.00 0.00 32.58 29.90 1joq s HIS 46 CO 0.00 -2.99 1.38 -1.00 -0.85 0.00 0.00 174.74 171.28 1joq h PRO 47 N 4.38 0.00 0.00 8.40 0.13 -1.95 -3.37 132.00 139.59 1joq h PRO 47 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1joq h PRO 47 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1joq h PRO 47 CO 0.74 0.18 0.00 1.63 -0.23 0.00 0.00 178.00 180.32 1joq n LYS 48 N -3.04 0.00 0.00 0.86 4.76 -1.26 -4.69 118.16 114.80 1joq n LYS 48 Ca 0.01 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 1joq n LYS 48 Cb 0.63 -0.14 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 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 -1.93 0.00 0.00 1.97 5.02 -1.26 -4.69 118.16 117.27 1joq n LYS 49 Ca 0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1joq n LYS 49 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1joq n GLY 50 N -0.38 3.43 0.00 0.72 0.00 -1.26 -2.92 105.19 104.77 1joq n GLY 50 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 -1.27 1.61 0.31 -1.26 -4.99 118.33 112.74 1joq n VAL 51 Ca 0.00 -0.37 -0.09 0.00 -0.01 0.00 0.00 64.34 63.87 1joq n VAL 51 Cb 0.00 1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 33.96 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 -0.54 -1.24 -0.00 5.55 1.02 -1.15 -4.83 120.64 119.46 1joq n GLU 52 Ca 0.00 0.77 -0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1joq n GLU 52 Cb 0.02 -4.91 -0.00 0.00 -0.02 0.00 0.00 31.44 26.53 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 -1.53 0.00 0.00 3.49 4.81 -1.26 -4.93 118.16 118.75 1joq n LYS 53 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1joq n LYS 53 Cb 0.45 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 35.26 1joq n LYS 53 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1joq n TYR 54 N -2.52 0.00 0.00 5.64 4.01 -1.26 -4.89 117.16 118.14 1joq n TYR 54 Ca -0.00 -0.08 -0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1joq n TYR 54 Cb 0.00 -0.01 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1joq n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1joq h GLY 55 N 0.00 -0.01 -6.63 2.72 0.00 -1.92 -3.32 103.07 93.91 1joq h GLY 55 Ca 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.66 1joq h GLY 55 CO 0.00 -0.00 2.69 -1.55 0.00 0.00 0.00 176.54 177.67 1joq n PRO 56 N -2.02 2.72 0.00 4.80 -0.04 -1.26 -3.96 135.00 135.24 1joq n PRO 56 Ca -0.00 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.77 1joq n PRO 56 Cb 0.00 -3.32 0.00 0.00 -0.04 0.00 0.00 33.50 30.14 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 6.93 0.00 -0.02 0.54 2.13 -1.25 -4.83 120.64 124.14 1joq n GLU 57 Ca 0.51 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 58.17 1joq n GLU 57 Cb 0.41 -0.09 -0.12 0.00 0.27 0.00 0.00 31.44 31.92 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1joq h ALA 58 N 0.00 0.01 -0.51 4.31 0.00 -1.75 -1.50 119.26 119.82 1joq h ALA 58 Ca 0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1joq h ALA 58 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1joq h ALA 58 CO 0.00 0.12 0.28 0.66 0.00 0.00 0.00 179.25 180.30 1joq h SER 59 N -0.55 0.64 0.30 0.00 4.64 -1.79 -1.99 113.55 114.80 1joq h SER 59 Ca -0.04 -0.09 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1joq h SER 59 Cb 1.10 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.01 1joq h SER 59 CO 0.06 0.54 -0.37 0.00 -0.87 0.00 0.00 176.83 176.19 1joq h ALA 60 N 1.12 1.29 0.25 5.18 0.00 -1.88 -1.70 119.26 123.52 1joq h ALA 60 Ca 0.18 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1joq h ALA 60 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1joq h ALA 60 CO -0.03 0.51 -0.13 0.35 0.00 0.00 0.00 179.25 179.95 1joq h PHE 61 N 0.09 -0.35 -0.00 0.00 3.57 -0.52 -1.76 116.94 117.96 1joq h PHE 61 Ca 0.01 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1joq h PHE 61 Cb 0.70 0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.56 1joq h PHE 61 CO 0.01 -0.21 0.03 1.15 -2.23 0.00 0.00 178.31 177.05 1joq h THR 62 N -0.36 0.07 0.20 4.41 2.02 -1.51 -1.63 112.91 116.11 1joq h THR 62 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1joq h THR 62 Cb 0.28 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1joq h THR 62 CO 0.05 0.00 -0.09 0.50 0.37 0.00 0.00 175.52 176.35 1joq h LYS 63 N 0.00 -0.25 -0.02 6.66 3.64 -0.67 -2.19 116.57 123.73 1joq h LYS 63 Ca 0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1joq h LYS 63 Cb 0.06 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1joq h LYS 63 CO -0.00 -0.17 -0.08 0.87 -2.27 0.00 0.00 179.45 177.80 1joq h LYS 64 N -0.32 0.02 0.00 1.90 1.57 -1.19 -1.11 116.57 117.44 1joq h LYS 64 Ca -0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1joq h LYS 64 Cb 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1joq h LYS 64 CO 0.04 0.11 0.00 -1.33 -0.57 0.00 0.00 179.45 177.70 1joq n MET 65 N -4.43 0.00 0.11 3.15 2.81 -0.63 -1.45 117.12 116.69 1joq n MET 65 Ca -0.02 0.40 0.17 0.00 -1.81 0.00 0.00 57.70 56.44 1joq n MET 65 Cb 0.17 -1.39 0.73 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.66 -0.81 2.03 -1.51 -1.39 0.13 116.25 115.35 1joq h VAL 66 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 1joq h VAL 66 Cb 0.00 0.80 -0.04 0.00 -2.13 0.00 0.00 31.29 29.92 1joq h VAL 66 CO 0.00 0.00 0.41 -0.33 -1.23 0.00 0.00 177.57 176.42 1joq h GLU 67 N 0.00 1.15 -0.23 5.19 4.39 -0.94 -2.28 114.58 121.86 1joq h GLU 67 Ca 0.15 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1joq h GLU 67 Cb 0.69 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1joq h GLU 67 CO -0.00 0.87 0.00 0.09 -1.16 0.00 0.00 179.01 178.80 1joq n ASN 68 N -4.32 3.20 -4.65 1.42 3.02 -0.12 -4.92 115.26 108.89 1joq n ASN 68 Ca 0.08 -1.97 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 1joq n ASN 68 Cb 0.12 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.13 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 -1.65 3.43 0.23 5.41 0.00 0.25 -4.86 121.76 124.57 1joq s ALA 69 Ca 0.33 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1joq s ALA 69 Cb 0.21 -3.82 0.25 0.00 0.00 0.00 0.00 23.12 19.76 1joq s ALA 69 CO 0.30 -1.71 1.71 0.87 0.00 0.00 0.00 175.76 176.93 1joq h LYS 70 N 10.55 0.85 -4.00 0.00 1.57 -1.90 -3.42 116.57 120.22 1joq h LYS 70 Ca -0.39 -0.26 -0.46 0.00 -1.87 0.00 0.00 60.65 57.67 1joq h LYS 70 Cb 1.19 -0.08 -0.36 0.00 0.08 0.00 0.00 32.23 33.05 1joq h LYS 70 CO 0.97 0.88 -0.78 0.15 -0.57 0.00 0.00 179.45 180.09 1joq s LYS 71 N -4.92 0.99 -0.31 3.15 1.02 -1.26 -5.02 119.74 113.40 1joq s LYS 71 Ca -0.10 -0.09 -0.08 0.00 0.02 0.00 0.00 55.97 55.72 1joq s LYS 71 Cb 0.14 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.33 1joq s LYS 71 CO 0.83 -0.20 0.12 0.42 -0.92 0.00 0.00 175.35 175.59 1joq s ILE 72 N 1.50 4.27 -0.01 2.17 1.01 -1.26 -3.16 121.20 125.71 1joq s ILE 72 Ca -0.01 -0.61 0.05 0.00 0.00 0.00 0.00 60.65 60.08 1joq s ILE 72 Cb -0.13 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1joq s ILE 72 CO -0.04 0.04 -0.17 -1.61 0.00 0.00 0.00 174.94 173.16 1joq s GLU 73 N 1.55 1.42 0.24 2.79 2.02 -1.04 0.57 118.70 126.24 1joq s GLU 73 Ca 0.03 -0.62 0.07 0.00 0.02 0.00 0.00 54.97 54.48 1joq s GLU 73 Cb -0.17 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1joq s GLU 73 CO 0.04 0.36 0.18 0.14 0.02 0.00 0.00 175.26 176.00 1joq s VAL 74 N -0.38 4.40 -0.41 2.63 -7.23 0.39 -0.99 120.40 118.80 1joq s VAL 74 Ca 0.06 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.86 1joq s VAL 74 Cb -0.07 -3.36 0.15 0.00 0.56 0.00 0.00 36.38 33.66 1joq s VAL 74 CO -0.01 -0.32 0.27 -0.70 -0.31 0.00 0.00 175.10 174.03 1joq s GLU 75 N -3.73 0.98 0.60 4.82 2.12 -0.45 -1.89 118.70 121.15 1joq s GLU 75 Ca 0.32 -1.85 -0.18 0.00 0.36 0.00 0.00 54.97 53.63 1joq s GLU 75 Cb -0.08 -1.78 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 1joq s GLU 75 CO 0.24 -1.24 0.88 1.19 -0.54 0.00 0.00 175.26 175.80 1joq n PHE 76 N 3.48 0.54 -2.12 5.30 3.01 -1.26 -1.82 117.46 124.59 1joq n PHE 76 Ca 0.16 0.44 -0.22 0.00 1.01 0.00 0.00 57.45 58.83 1joq n PHE 76 Cb 0.39 -2.10 0.14 0.00 -0.01 0.00 0.00 39.48 37.89 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 -0.56 0.56 0.10 4.37 -0.08 -1.24 -4.55 116.55 115.15 1joq n ASP 77 Ca 0.13 -1.65 0.12 0.00 -1.51 0.00 0.00 54.79 51.88 1joq n ASP 77 Cb 0.47 -0.70 0.06 0.00 2.34 0.00 0.00 41.12 43.30 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 -1.94 -3.46 116.57 110.50 1joq h LYS 78 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.33 1joq h LYS 78 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 1joq h LYS 78 CO 0.27 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 180.13 1joq n GLY 79 N 1.22 -1.13 3.80 0.07 0.00 -1.26 -4.93 105.19 102.95 1joq n GLY 79 Ca 0.01 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.13 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 3.80 0.07 1.61 1.11 -1.26 -4.95 119.66 120.04 1joq s GLN 80 Ca 0.00 1.35 0.24 0.00 0.01 0.00 0.00 55.36 56.96 1joq s GLN 80 Cb 0.00 -2.09 0.21 0.00 -1.01 0.00 0.00 33.01 30.11 1joq s GLN 80 CO 0.00 -0.43 1.18 -2.13 0.01 0.00 0.00 175.29 173.91 1joq n ARG 81 N -0.99 0.26 -3.63 2.91 0.00 -1.26 -4.70 116.66 109.25 1joq n ARG 81 Ca 0.09 0.03 -0.15 0.00 -0.00 0.00 0.00 57.85 57.82 1joq n ARG 81 Cb 0.53 -1.62 -0.07 0.00 0.00 0.00 0.00 32.46 31.30 1joq n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1joq s THR 82 N -3.16 0.03 0.00 5.15 -4.23 -1.26 -2.34 115.64 109.82 1joq s THR 82 Ca 0.05 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.31 1joq s THR 82 Cb 0.14 -0.86 0.00 0.00 1.34 0.00 0.00 72.50 73.12 1joq s THR 82 CO 0.76 -0.14 0.00 0.47 -0.54 0.00 0.00 174.62 175.17 1joq n ASP 83 N 0.88 0.00 0.18 3.99 9.92 -0.76 -4.89 116.55 125.87 1joq n ASP 83 Ca -0.20 -0.74 0.06 0.00 -0.53 0.00 0.00 54.79 53.38 1joq n ASP 83 Cb 0.58 0.00 0.29 0.00 -0.64 0.00 0.00 41.12 41.35 1joq n ASP 83 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1joq h LYS 84 N 0.00 0.00 0.00 -1.24 2.10 -2.02 -2.59 116.57 112.81 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 0.38 0.00 0.66 -2.00 0.00 0.00 179.45 178.49 1joq n TYR 85 N -3.45 0.00 -1.12 0.07 4.02 -1.26 -4.83 117.16 110.59 1joq n TYR 85 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1joq n TYR 85 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.84 1joq n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1joq n GLY 86 N 0.69 0.69 3.81 2.72 0.00 -0.98 -5.01 105.19 107.12 1joq n GLY 86 Ca 0.16 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.31 4.28 -0.06 1.61 0.52 -1.26 -4.82 118.95 116.90 1joq s ARG 87 Ca 0.00 0.91 -0.22 0.00 -0.52 0.00 0.00 55.73 55.91 1joq s ARG 87 Cb 0.00 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 1joq s ARG 87 CO 0.00 0.37 0.63 0.20 0.02 0.00 0.00 175.30 176.52 1joq s GLY 88 N -1.68 2.57 -0.27 -3.53 0.00 -0.95 -1.82 107.32 101.64 1joq s GLY 88 Ca 0.44 0.05 -0.10 0.00 0.00 0.00 0.00 44.72 45.11 1joq s GLY 88 CO 0.21 1.01 0.16 1.08 0.00 0.00 0.00 173.10 175.56 1joq s LEU 89 N 0.57 3.93 -0.25 0.66 1.43 -0.99 -2.03 118.68 121.99 1joq s LEU 89 Ca 0.34 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.15 1joq s LEU 89 Cb -0.17 -2.08 0.14 0.00 0.03 0.00 0.00 46.19 44.11 1joq s LEU 89 CO 0.16 -0.03 1.11 0.00 0.23 0.00 0.00 176.35 177.82 1joq s ALA 90 N 1.61 -2.01 -0.03 4.21 0.00 -1.26 -3.62 121.76 120.67 1joq s ALA 90 Ca 0.07 1.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.50 1joq s ALA 90 Cb -0.15 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 1joq s ALA 90 CO 0.09 -0.23 1.28 0.71 0.00 0.00 0.00 175.76 177.61 1joq s TYR 91 N -0.22 3.06 0.25 0.00 2.02 -0.76 -4.52 117.35 117.19 1joq s TYR 91 Ca 0.03 1.05 -0.25 0.00 -0.37 0.00 0.00 57.07 57.54 1joq s TYR 91 Cb -0.04 -3.52 -0.09 0.00 -0.40 0.00 0.00 41.96 37.91 1joq s TYR 91 CO -0.06 -1.79 0.84 0.42 -1.57 0.00 0.00 175.55 173.40 1joq s ILE 92 N 2.22 4.33 -0.12 2.71 1.01 -1.26 -1.34 121.20 128.74 1joq s ILE 92 Ca 0.59 1.68 -0.00 0.00 0.00 0.00 0.00 60.65 62.92 1joq s ILE 92 Cb -0.28 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.18 1joq s ILE 92 CO 0.24 0.29 -0.08 -0.31 0.00 0.00 0.00 174.94 175.08 1joq s TYR 93 N -1.44 1.57 -0.19 3.97 2.02 -0.16 -1.65 117.35 121.48 1joq s TYR 93 Ca 0.44 -0.82 -0.03 0.00 -0.37 0.00 0.00 57.07 56.29 1joq s TYR 93 Cb -0.20 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.08 1joq s TYR 93 CO 0.24 -0.54 -0.08 0.00 -1.57 0.00 0.00 175.55 173.61 1joq s ALA 94 N 1.68 2.74 -1.49 3.71 0.00 -0.18 -2.51 121.76 125.71 1joq s ALA 94 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1joq s ALA 94 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1joq s ALA 94 CO -0.08 -0.21 0.00 -0.25 0.00 0.00 0.00 175.76 175.22 1joq n ASP 95 N 4.37 -4.69 0.00 0.00 9.92 -1.19 -1.55 116.55 123.41 1joq n ASP 95 Ca -0.18 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1joq n ASP 95 Cb 0.51 -3.54 0.00 0.00 -0.64 0.00 0.00 41.12 37.45 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 -1.16 0.49 3.41 0.44 0.00 -1.26 -5.04 105.19 102.07 1joq n GLY 96 Ca -0.15 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.06 2.08 -0.55 1.61 2.20 -0.60 -5.06 119.74 118.36 1joq s LYS 97 Ca 0.00 -0.96 -0.27 0.00 -0.36 0.00 0.00 55.97 54.37 1joq s LYS 97 Cb 0.00 -2.15 -0.00 0.00 -1.51 0.00 0.00 37.83 34.17 1joq s LYS 97 CO 0.00 0.55 1.61 1.41 -0.36 0.00 0.00 175.35 178.56 1joq s MET 98 N -1.16 3.09 0.36 4.03 -2.45 -1.26 -1.01 119.30 120.89 1joq s MET 98 Ca 0.13 0.62 0.14 0.00 -1.25 0.00 0.00 55.69 55.32 1joq s MET 98 Cb -0.10 -4.22 0.97 0.00 1.25 0.00 0.00 34.83 32.73 1joq s MET 98 CO 0.03 -2.19 1.77 0.28 1.05 0.00 0.00 175.02 175.96 1joq h VAL 99 N 6.58 0.58 -0.59 10.11 2.07 -1.65 0.17 116.25 133.52 1joq h VAL 99 Ca -0.28 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1joq h VAL 99 Cb 1.12 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1joq h VAL 99 CO 1.17 0.09 0.35 0.78 0.02 0.00 0.00 177.57 179.99 1joq h ASN 100 N 0.52 0.56 -0.47 0.57 4.21 -1.89 -1.28 115.58 117.82 1joq h ASN 100 Ca 0.59 0.01 -0.12 0.00 1.21 0.00 0.00 56.30 57.99 1joq h ASN 100 Cb 1.28 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 38.35 1joq h ASN 100 CO -0.34 0.39 -0.16 -0.08 -1.29 0.00 0.00 177.43 175.94 1joq h GLU 101 N 0.69 0.96 -0.31 0.81 4.22 -1.08 -2.31 114.58 117.55 1joq h GLU 101 Ca 0.24 -0.37 -0.01 0.00 0.08 0.00 0.00 59.36 59.29 1joq h GLU 101 Cb 0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1joq h GLU 101 CO -0.12 1.04 0.13 0.00 -2.18 0.00 0.00 179.01 177.89 1joq h ALA 102 N 0.96 1.64 0.12 2.92 0.00 -0.69 -1.82 119.26 122.39 1joq h ALA 102 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1joq h ALA 102 Cb 0.72 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1joq h ALA 102 CO 0.06 0.29 -0.06 -0.07 0.00 0.00 0.00 179.25 179.47 1joq h LEU 103 N 0.44 -0.13 -1.24 0.00 3.38 -0.92 -2.64 115.31 114.19 1joq h LEU 103 Ca 0.11 -0.42 0.18 0.00 0.09 0.00 0.00 57.88 57.84 1joq h LEU 103 Cb 0.08 0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 1joq h LEU 103 CO -0.01 0.43 0.61 0.58 0.09 0.00 0.00 178.44 180.13 1joq h VAL 104 N -0.78 0.73 -0.42 1.22 2.07 -1.22 0.85 116.25 118.71 1joq h VAL 104 Ca -0.02 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1joq h VAL 104 Cb 0.55 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1joq h VAL 104 CO 0.03 0.12 0.10 -0.09 0.02 0.00 0.00 177.57 177.74 1joq h ARG 105 N 0.64 0.67 0.00 1.57 2.43 -1.31 -1.68 114.38 116.71 1joq h ARG 105 Ca 0.51 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 1joq h ARG 105 Cb 0.95 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1joq h ARG 105 CO -0.27 0.69 0.00 1.04 -1.51 0.00 0.00 179.97 179.92 1joq n GLN 106 N -4.54 0.01 -2.61 0.20 3.00 0.11 -4.87 117.38 108.69 1joq n GLN 106 Ca -0.00 0.20 -0.06 0.00 -0.01 0.00 0.00 57.00 57.13 1joq n GLN 106 Cb 0.21 -1.52 0.01 0.00 0.00 0.00 0.00 30.24 28.95 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1joq n GLY 107 N 0.33 0.44 0.17 1.08 0.00 -0.12 -4.66 105.19 102.43 1joq n GLY 107 Ca 0.04 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.47 2.39 -3.79 0.99 4.77 -0.97 -3.75 117.00 115.16 1joq n LEU 108 Ca -0.02 -2.46 -0.13 0.00 -0.03 0.00 0.00 56.01 53.37 1joq n LEU 108 Cb 0.53 -0.22 -0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1joq n LEU 108 CO 0.15 0.61 -0.08 0.00 -1.33 0.00 0.00 177.39 176.74 1joq s ALA 109 N -1.80 -0.62 -0.15 -1.18 0.00 -1.26 -4.37 121.76 112.38 1joq s ALA 109 Ca 0.17 0.57 0.01 0.00 0.00 0.00 0.00 51.96 52.71 1joq s ALA 109 Cb 0.14 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1joq s ALA 109 CO 0.04 -0.15 -0.16 0.15 0.00 0.00 0.00 175.76 175.63 1joq s LYS 110 N -0.24 3.19 -0.14 0.00 1.02 -1.06 -4.64 119.74 117.87 1joq s LYS 110 Ca -0.04 -0.76 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 1joq s LYS 110 Cb -0.03 -2.60 -0.09 0.00 -0.52 0.00 0.00 37.83 34.59 1joq s LYS 110 CO 0.01 0.02 2.07 0.28 -0.92 0.00 0.00 175.35 176.81 1joq n VAL 111 N 4.04 0.49 -4.00 3.17 0.31 -1.26 -1.57 118.33 119.52 1joq n VAL 111 Ca -0.19 -0.26 -0.11 0.00 -0.01 0.00 0.00 64.34 63.77 1joq n VAL 111 Cb 0.52 -2.20 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 1joq n VAL 111 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1joq n ALA 112 N 9.10 0.05 -2.83 3.52 0.00 -0.87 -4.89 120.51 124.59 1joq n ALA 112 Ca 0.27 -1.12 -0.03 0.00 0.00 0.00 0.00 53.44 52.56 1joq n ALA 112 Cb 0.37 0.90 0.00 0.00 0.00 0.00 0.00 19.45 20.72 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 -0.38 -3.43 -3.76 0.00 4.01 -1.26 -3.75 117.16 108.59 1joq n TYR 113 Ca 0.02 1.48 -0.37 0.00 -0.16 0.00 0.00 57.90 58.87 1joq n TYR 113 Cb 0.38 -3.63 -0.12 0.00 -0.31 0.00 0.00 39.34 35.65 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 -1.79 3.63 -0.08 -0.72 1.01 -1.26 -4.29 120.40 116.90 1joq s VAL 114 Ca 0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 1joq s VAL 114 Cb -0.02 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.24 1joq s VAL 114 CO 0.70 -0.30 0.18 -0.31 0.00 0.00 0.00 175.10 175.38 1joq s TYR 115 N 1.34 -0.22 0.45 5.22 2.02 -1.26 -5.12 117.35 119.78 1joq s TYR 115 Ca -0.00 0.55 -0.05 0.00 -0.37 0.00 0.00 57.07 57.21 1joq s TYR 115 Cb -0.21 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.33 1joq s TYR 115 CO 0.01 -0.15 0.74 0.15 -1.57 0.00 0.00 175.55 174.73 1joq s LYS 116 N 0.71 3.55 -0.21 -0.62 -0.14 -1.26 -1.38 119.74 120.40 1joq s LYS 116 Ca -0.05 0.12 0.01 0.00 -1.36 0.00 0.00 55.97 54.70 1joq s LYS 116 Cb -0.07 -2.43 0.28 0.00 -1.68 0.00 0.00 37.83 33.93 1joq s LYS 116 CO -0.04 -0.12 1.49 -0.35 -0.76 0.00 0.00 175.35 175.57 1joq n PRO 117 N -2.07 1.57 -1.94 -1.68 -0.04 -1.26 -4.99 135.00 124.59 1joq n PRO 117 Ca -0.00 -1.32 -0.42 0.00 -0.04 0.00 0.00 63.50 61.72 1joq n PRO 117 Cb 0.55 -1.52 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1joq n PRO 117 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1joq n ASN 118 N -0.12 5.05 -1.10 3.54 3.02 -0.48 -4.38 115.26 120.80 1joq n ASN 118 Ca 0.26 -2.94 0.04 0.00 -0.03 0.00 0.00 54.58 51.92 1joq n ASN 118 Cb 0.95 -1.56 0.07 0.00 -0.61 0.00 0.00 39.78 38.62 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 4.73 1.12 0.26 6.41 3.02 -1.26 -4.61 115.26 124.93 1joq n ASN 119 Ca 0.51 -2.51 0.11 0.00 -0.03 0.00 0.00 54.58 52.65 1joq n ASN 119 Cb 0.36 -0.35 0.72 0.00 -0.61 0.00 0.00 39.78 39.89 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 5.24 0.79 0.00 3.41 2.02 -1.98 -2.78 112.91 119.60 1joq h THR 120 Ca -0.14 -0.25 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1joq h THR 120 Cb 1.58 1.15 -0.14 0.00 -1.74 0.00 0.00 68.15 69.01 1joq h THR 120 CO 0.06 0.07 -0.65 1.41 0.37 0.00 0.00 175.52 176.77 1joq n HIS 121 N -4.08 0.00 -0.02 3.16 8.25 -1.26 -4.82 115.22 116.45 1joq n HIS 121 Ca -0.03 -1.03 -0.12 0.00 -0.26 0.00 0.00 57.72 56.28 1joq n HIS 121 Cb 0.15 -0.20 -0.08 0.00 1.12 0.00 0.00 29.99 30.99 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 0.87 0.13 -0.04 -0.41 4.57 -1.81 -2.02 114.58 115.87 1joq h GLU 122 Ca -0.08 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.02 1joq h GLU 122 Cb 1.34 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 1joq h GLU 122 CO 0.04 0.43 -0.12 1.96 -1.18 0.00 0.00 179.01 180.14 1joq h GLN 123 N -0.18 0.05 0.52 1.92 4.20 -1.88 -1.24 115.11 118.51 1joq h GLN 123 Ca 0.02 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 1joq h GLN 123 Cb 0.38 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.15 1joq h GLN 123 CO 0.01 0.18 -0.25 1.25 -0.67 0.00 0.00 178.83 179.34 1joq h LEU 124 N 0.05 -0.59 -2.71 1.46 5.85 -1.84 -2.08 115.31 115.45 1joq h LEU 124 Ca 0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1joq h LEU 124 Cb 0.25 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1joq h LEU 124 CO 0.02 -0.24 0.09 -0.07 -0.34 0.00 0.00 178.44 177.90 1joq h LEU 125 N -1.08 0.00 0.27 2.25 3.38 -1.30 -2.14 115.31 116.70 1joq h LEU 125 Ca -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1joq h LEU 125 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1joq h LEU 125 CO 0.12 0.00 -0.13 -0.09 0.09 0.00 0.00 178.44 178.43 1joq h ARG 126 N 0.00 -0.35 -0.64 1.13 2.43 -1.05 -1.94 114.38 113.96 1joq h ARG 126 Ca 0.00 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.29 1joq h ARG 126 Cb 0.18 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 1joq h ARG 126 CO -0.00 -0.23 0.27 1.57 -1.51 0.00 0.00 179.97 180.06 1joq h LYS 127 N -0.91 0.45 -0.58 0.20 2.10 -1.09 0.21 116.57 116.95 1joq h LYS 127 Ca -0.04 -0.03 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1joq h LYS 127 Cb 0.28 -0.10 -0.03 0.00 -0.90 0.00 0.00 32.23 31.48 1joq h LYS 127 CO 0.06 0.30 0.33 0.77 -2.00 0.00 0.00 179.45 178.91 1joq h SER 128 N 0.47 0.69 -0.29 7.07 0.02 -1.49 -1.89 113.55 118.13 1joq h SER 128 Ca 0.32 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.13 1joq h SER 128 Cb 0.39 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1joq h SER 128 CO -0.30 0.55 -0.16 -0.08 -1.14 0.00 0.00 176.83 175.70 1joq h GLU 129 N 0.80 0.73 -0.61 3.45 4.57 -0.16 -2.16 114.58 121.19 1joq h GLU 129 Ca 0.21 -0.26 -0.04 0.00 -1.18 0.00 0.00 59.36 58.08 1joq h GLU 129 Cb -0.00 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.51 1joq h GLU 129 CO -0.04 0.85 0.21 0.00 -1.18 0.00 0.00 179.01 178.86 1joq h ALA 130 N 1.16 0.80 -0.62 2.92 0.00 -0.51 -1.25 119.26 121.76 1joq h ALA 130 Ca 0.10 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1joq h ALA 130 Cb 0.64 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1joq h ALA 130 CO 0.05 0.45 0.12 0.37 0.00 0.00 0.00 179.25 180.23 1joq h GLN 131 N 0.86 1.01 -0.10 0.00 4.15 -1.26 -2.20 115.11 117.57 1joq h GLN 131 Ca 0.20 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 1joq h GLN 131 Cb 0.25 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 1joq h GLN 131 CO -0.01 0.94 -0.14 0.00 -1.93 0.00 0.00 178.83 177.69 1joq h ALA 132 N 1.03 1.58 0.45 3.38 0.00 -1.05 0.43 119.26 125.08 1joq h ALA 132 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1joq h ALA 132 Cb 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1joq h ALA 132 CO 0.01 0.31 -0.22 0.87 0.00 0.00 0.00 179.25 180.22 1joq h LYS 133 N 0.16 -0.59 0.00 0.00 1.57 -0.61 -1.36 116.57 115.74 1joq h LYS 133 Ca 0.03 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1joq h LYS 133 Cb 0.35 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1joq h LYS 133 CO 0.02 -0.30 0.00 0.36 -0.57 0.00 0.00 179.45 178.96 1joq n LYS 134 N -5.27 0.17 0.15 3.15 2.85 -1.04 -2.07 118.16 116.10 1joq n LYS 134 Ca -0.11 0.39 0.06 0.00 -1.05 0.00 0.00 58.31 57.60 1joq n LYS 134 Cb 0.29 -1.82 0.06 0.00 -0.65 0.00 0.00 35.03 32.91 1joq n LYS 134 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1joq h GLU 135 N 0.00 0.00 -6.03 -1.58 5.08 -0.43 -3.48 114.58 108.14 1joq h GLU 135 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1joq h GLU 135 Cb 0.37 0.00 0.08 0.00 0.50 0.00 0.00 28.75 29.70 1joq h GLU 135 CO 0.00 0.26 -0.80 1.63 -1.00 0.00 0.00 179.01 179.11 1joq n LYS 136 N -3.09 -1.41 -3.57 2.33 5.02 -0.56 -4.88 118.16 112.00 1joq n LYS 136 Ca 0.01 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 56.61 1joq n LYS 136 Cb 0.66 -4.43 -0.11 0.00 -0.02 0.00 0.00 35.03 31.13 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 -5.76 4.55 0.00 -0.35 0.20 -1.25 -3.46 118.68 112.60 1joq s LEU 137 Ca 0.35 -0.68 0.00 0.00 0.69 0.00 0.00 54.13 54.49 1joq s LEU 137 Cb -0.11 -2.07 0.00 0.00 -0.43 0.00 0.00 46.19 43.58 1joq s LEU 137 CO 0.83 -0.30 0.00 0.59 -0.29 0.00 0.00 176.35 177.18 1joq n ASN 138 N 5.05 0.00 0.12 3.68 3.02 -1.26 -2.77 115.26 123.10 1joq n ASN 138 Ca -0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.32 1joq n ASN 138 Cb 0.48 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.59 1joq n ASN 138 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1joq h ILE 139 N 0.00 0.00 0.00 2.41 2.04 -1.91 -0.19 117.51 119.86 1joq h ILE 139 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1joq h ILE 139 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1joq h ILE 139 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 178.15 178.94 1joq n TRP 140 N -4.21 0.00 0.19 1.37 7.02 -1.11 -3.72 117.44 116.97 1joq n TRP 140 Ca -0.06 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.30 1joq n TRP 140 Cb 0.26 -0.08 -0.06 0.00 -2.42 0.00 0.00 31.31 29.01 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 0.00 -0.88 0.00 -0.99 0.87 -1.05 -3.33 113.55 108.17 1joq h SER 141 Ca 0.00 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1joq h SER 141 Cb 0.05 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 1joq h SER 141 CO 0.00 -0.43 0.00 -0.62 -0.53 0.00 0.00 176.83 175.25 1joq n GLU 142 N -4.34 0.00 -2.98 2.24 1.02 -1.24 -4.90 120.64 110.44 1joq n GLU 142 Ca -0.08 0.19 -0.02 0.00 -0.02 0.00 0.00 57.16 57.23 1joq n GLU 142 Cb 0.30 -1.18 0.01 0.00 -0.02 0.00 0.00 31.44 30.54 1joq n GLU 142 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1joq n ASP 143 N -1.08 -7.24 -2.53 1.62 2.03 -1.25 -4.88 116.55 103.21 1joq n ASP 143 Ca 0.00 -0.16 -0.30 0.00 0.52 0.00 0.00 54.79 54.85 1joq n ASP 143 Cb 0.00 -5.01 -0.01 0.00 -0.72 0.00 0.00 41.12 35.38 1joq n ASP 143 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1joq n ASN 144 N -1.94 6.85 -3.94 1.67 4.05 -1.26 -4.81 115.26 115.88 1joq n ASN 144 Ca -0.01 -3.40 -0.30 0.00 0.45 0.00 0.00 54.58 51.31 1joq n ASN 144 Cb 0.52 -1.15 -0.14 0.00 1.23 0.00 0.00 39.78 40.23 1joq n ASN 144 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1joq s ALA 145 N -2.51 2.85 0.31 5.20 0.00 -1.26 -5.07 121.76 121.28 1joq s ALA 145 Ca 0.55 -2.72 -0.19 0.00 0.00 0.00 0.00 51.96 49.59 1joq s ALA 145 Cb 0.39 -2.00 0.04 0.00 0.00 0.00 0.00 23.12 21.55 1joq s ALA 145 CO -0.24 -1.83 0.76 0.16 0.00 0.00 0.00 175.76 174.61 1joq s ASP 146 N 0.50 -0.16 1.23 0.00 -4.77 -1.26 -5.16 116.67 107.05 1joq s ASP 146 Ca 0.14 -0.79 -0.15 0.00 -3.30 0.00 0.00 52.55 48.45 1joq s ASP 146 Cb -0.22 0.75 0.23 0.00 -1.09 0.00 0.00 42.92 42.60 1joq s ASP 146 CO -0.06 -1.44 0.52 -1.54 0.70 0.00 0.00 175.17 173.35 1joq n SER 147 N -0.81 -3.26 0.00 2.11 3.41 -1.26 -4.99 113.62 108.83 1joq n SER 147 Ca -0.06 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.03 1joq n SER 147 Cb 0.59 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1joq n GLY 148 N -3.29 -1.84 2.36 5.00 0.00 -1.26 -5.24 105.19 100.93 1joq n GLY 148 Ca 0.08 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1joq n GLY 148 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14