#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 3.30 -2.24 0.00 5.66 -1.26 -4.85 114.28 114.90 1joq n THR 2 Ca 0.00 -4.81 -0.06 0.00 -3.05 0.00 0.00 64.05 56.13 1joq n THR 2 Cb 0.00 -1.29 0.03 0.00 -1.55 0.00 0.00 70.33 67.52 1joq n THR 2 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1joq n SER 3 N -0.45 -4.00 -0.01 1.09 7.64 -1.26 -4.97 113.62 111.67 1joq n SER 3 Ca 0.46 -0.28 0.09 0.00 1.01 0.00 0.00 58.87 60.14 1joq n SER 3 Cb 0.41 -2.52 -0.13 0.00 -1.01 0.00 0.00 64.21 60.97 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 -2.18 0.00 0.00 0.44 -1.04 -1.26 -4.96 114.28 105.28 1joq n THR 4 Ca -0.03 -0.33 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 1joq n THR 4 Cb 0.55 0.32 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 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 -1.94 0.00 -3.72 -2.82 4.81 -1.26 -5.04 118.16 108.19 1joq n LYS 5 Ca -0.02 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.29 1joq n LYS 5 Cb 0.41 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.37 1joq n LYS 5 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1joq s LYS 6 N 0.00 0.58 0.00 1.64 2.20 -1.26 -4.99 119.74 117.91 1joq s LYS 6 Ca 0.00 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1joq s LYS 6 Cb 0.00 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.59 1joq s LYS 6 CO 0.00 -0.10 0.00 1.28 -0.36 0.00 0.00 175.35 176.17 1joq n LEU 7 N 2.41 0.00 -4.16 5.43 4.77 -1.26 -5.07 117.00 119.11 1joq n LEU 7 Ca -0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.48 1joq n LEU 7 Cb 0.57 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.52 1joq n LEU 7 CO 0.15 -0.03 -0.34 -1.38 -1.33 0.00 0.00 177.39 174.46 1joq s HIS 8 N 1.64 3.31 0.33 -1.77 -3.43 -1.26 -5.09 115.29 109.01 1joq s HIS 8 Ca 0.00 -1.95 -0.18 0.00 -0.80 0.00 0.00 55.06 52.13 1joq s HIS 8 Cb 0.00 -2.24 -0.09 0.00 -1.43 0.00 0.00 32.58 28.81 1joq s HIS 8 CO 0.00 -0.82 0.80 0.15 -2.00 0.00 0.00 174.74 172.87 1joq s LYS 9 N 1.23 4.14 0.20 -0.38 1.02 -1.26 -4.40 119.74 120.30 1joq s LYS 9 Ca -0.03 0.86 -0.04 0.00 0.02 0.00 0.00 55.97 56.78 1joq s LYS 9 Cb -0.20 -2.47 -0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1joq s LYS 9 CO -0.02 0.16 0.20 -1.21 -0.92 0.00 0.00 175.35 173.56 1joq s GLU 10 N -2.79 1.24 0.79 1.68 8.01 -0.82 -4.98 118.70 121.83 1joq s GLU 10 Ca 0.54 -1.52 -0.12 0.00 0.01 0.00 0.00 54.97 53.88 1joq s GLU 10 Cb -0.12 0.31 0.07 0.00 -4.31 0.00 0.00 34.13 30.08 1joq s GLU 10 CO 0.17 -0.43 1.12 -1.25 0.01 0.00 0.00 175.26 174.89 1joq s PRO 11 N -4.11 2.15 0.21 0.39 0.04 -1.26 -0.60 135.00 131.81 1joq s PRO 11 Ca 0.33 0.40 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 1joq s PRO 11 Cb 0.05 -1.95 0.01 0.00 0.04 0.00 0.00 34.50 32.66 1joq s PRO 11 CO 0.10 -1.52 0.49 0.00 0.04 0.00 0.00 177.00 176.10 1joq s ALA 12 N -3.34 -0.63 -0.17 8.56 0.00 0.08 -4.46 121.76 121.79 1joq s ALA 12 Ca 0.61 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 1joq s ALA 12 Cb -0.13 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1joq s ALA 12 CO 0.52 -0.81 -0.15 0.99 0.00 0.00 0.00 175.76 176.32 1joq s THR 13 N -3.93 2.63 -0.85 0.00 2.01 -0.67 -4.59 115.64 110.25 1joq s THR 13 Ca 0.14 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 61.13 1joq s THR 13 Cb -0.01 -2.13 0.05 0.00 0.01 0.00 0.00 72.50 70.43 1joq s THR 13 CO 0.01 0.50 1.28 -0.22 -0.69 0.00 0.00 174.62 175.51 1joq s LEU 14 N 1.06 3.66 -0.11 4.42 1.98 -1.26 -0.57 118.68 127.86 1joq s LEU 14 Ca -0.01 -1.07 -0.05 0.00 -2.89 0.00 0.00 54.13 50.11 1joq s LEU 14 Cb -0.14 -2.53 -0.04 0.00 0.66 0.00 0.00 46.19 44.13 1joq s LEU 14 CO -0.04 -1.58 0.11 0.40 -1.89 0.00 0.00 176.35 173.35 1joq h ILE 15 N 6.29 0.29 -1.09 6.68 2.04 -1.72 -3.48 117.51 126.51 1joq h ILE 15 Ca -0.06 -1.22 0.15 0.00 1.00 0.00 0.00 64.86 64.73 1joq h ILE 15 Cb 1.04 0.55 -0.22 0.00 -0.74 0.00 0.00 36.82 37.45 1joq h ILE 15 CO 1.30 0.10 0.02 -0.75 0.00 0.00 0.00 178.15 178.82 1joq s LYS 16 N -1.72 0.40 0.80 2.37 2.20 -0.88 -5.04 119.74 117.86 1joq s LYS 16 Ca -0.04 0.87 -0.10 0.00 -0.36 0.00 0.00 55.97 56.34 1joq s LYS 16 Cb -0.00 0.51 0.07 0.00 -1.51 0.00 0.00 37.83 36.90 1joq s LYS 16 CO 0.13 -0.26 1.10 0.00 -0.36 0.00 0.00 175.35 175.96 1joq s ALA 17 N 2.74 2.13 -0.02 3.13 0.00 -1.26 -1.72 121.76 126.75 1joq s ALA 17 Ca 0.02 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 1joq s ALA 17 Cb -0.10 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1joq s ALA 17 CO -0.17 -1.91 -0.10 -0.89 0.00 0.00 0.00 175.76 172.68 1joq n ILE 18 N -3.62 0.90 -2.67 0.00 5.41 -0.70 -4.77 119.36 113.92 1joq n ILE 18 Ca 0.09 0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.97 1joq n ILE 18 Cb 0.53 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.75 1joq n ILE 18 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1joq n ASP 19 N -3.57 0.30 0.01 4.38 -0.08 -0.77 -4.98 116.55 111.85 1joq n ASP 19 Ca -0.09 0.00 0.12 0.00 -1.51 0.00 0.00 54.79 53.31 1joq n ASP 19 Cb 0.36 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.13 1joq n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1joq n GLY 20 N 1.13 -1.33 0.05 0.27 0.00 -1.26 -3.87 105.19 100.18 1joq n GLY 20 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.60 1.21 -3.86 1.61 2.03 -1.26 -4.80 116.55 109.88 1joq n ASP 21 Ca 0.05 -1.80 -0.12 0.00 0.52 0.00 0.00 54.79 53.45 1joq n ASP 21 Cb 0.35 -0.07 -0.12 0.00 -0.72 0.00 0.00 41.12 40.56 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 -0.81 0.02 -0.21 5.18 2.01 -1.25 -3.01 115.64 117.57 1joq s THR 22 Ca 0.04 -0.20 -0.22 0.00 0.31 0.00 0.00 61.69 61.61 1joq s THR 22 Cb 0.03 -0.20 0.06 0.00 0.01 0.00 0.00 72.50 72.40 1joq s THR 22 CO 0.00 -0.11 0.62 0.68 -0.69 0.00 0.00 174.62 175.13 1joq s VAL 23 N -0.33 0.00 -0.30 3.82 -7.23 -0.74 -1.71 120.40 113.92 1joq s VAL 23 Ca -0.04 -0.02 -0.15 0.00 -1.81 0.00 0.00 61.98 59.97 1joq s VAL 23 Cb -0.03 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 1joq s VAL 23 CO 0.00 -0.01 0.37 -0.54 -0.31 0.00 0.00 175.10 174.61 1joq s LYS 24 N 0.12 3.85 0.04 4.82 1.02 -0.70 -1.39 119.74 127.51 1joq s LYS 24 Ca -0.02 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1joq s LYS 24 Cb -0.04 -3.71 -0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1joq s LYS 24 CO 0.02 -0.37 0.01 1.28 -0.92 0.00 0.00 175.35 175.37 1joq n LEU 25 N 5.36 0.00 -3.88 3.17 4.77 -0.70 -2.05 117.00 123.68 1joq n LEU 25 Ca -0.09 -0.30 -0.29 0.00 -0.03 0.00 0.00 56.01 55.31 1joq n LEU 25 Cb 0.50 0.07 -0.16 0.00 -2.33 0.00 0.00 43.42 41.50 1joq n LEU 25 CO 0.38 -0.04 -0.41 -0.32 -1.33 0.00 0.00 177.39 175.67 1joq s MET 26 N -2.16 1.34 -0.16 3.23 1.75 0.27 -1.70 119.30 121.87 1joq s MET 26 Ca 0.01 -0.71 -0.06 0.00 -1.25 0.00 0.00 55.69 53.69 1joq s MET 26 Cb 0.00 -2.29 -0.04 0.00 2.84 0.00 0.00 34.83 35.34 1joq s MET 26 CO 0.01 -0.55 0.03 -0.47 -0.65 0.00 0.00 175.02 173.38 1joq s TYR 27 N 1.58 3.18 -1.61 4.11 5.04 -0.27 -1.66 117.35 127.72 1joq s TYR 27 Ca -0.03 -0.02 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1joq s TYR 27 Cb -0.17 -2.01 0.00 0.00 0.35 0.00 0.00 41.96 40.13 1joq s TYR 27 CO -0.07 0.14 0.00 1.63 -1.34 0.00 0.00 175.55 175.91 1joq n LYS 28 N 3.36 -1.46 -1.50 4.97 4.76 -1.26 -1.05 118.16 125.97 1joq n LYS 28 Ca -0.17 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.22 1joq n LYS 28 Cb 0.52 -5.25 0.00 0.00 -1.84 0.00 0.00 35.03 28.47 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 -0.17 0.97 2.78 0.72 0.00 -1.26 -5.08 105.19 103.15 1joq n GLY 29 Ca -0.15 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 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 -3.10 0.15 -0.44 1.61 -0.44 -0.22 -5.10 119.66 112.12 1joq s GLN 30 Ca 0.00 0.16 -0.29 0.00 -2.50 0.00 0.00 55.36 52.73 1joq s GLN 30 Cb 0.00 -0.44 0.01 0.00 -1.64 0.00 0.00 33.01 30.94 1joq s GLN 30 CO 0.00 -0.18 1.42 -1.25 0.50 0.00 0.00 175.29 175.77 1joq s PRO 31 N 1.25 3.51 0.24 1.67 0.04 -1.26 -1.11 135.00 139.34 1joq s PRO 31 Ca -0.07 0.84 0.06 0.00 0.04 0.00 0.00 61.00 61.87 1joq s PRO 31 Cb -0.13 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 30.34 1joq s PRO 31 CO -0.03 -1.65 0.20 -0.12 0.04 0.00 0.00 177.00 175.44 1joq n MET 32 N 8.20 0.29 -4.34 4.56 1.56 -0.69 -5.01 117.12 121.70 1joq n MET 32 Ca 0.16 -2.37 -0.24 0.00 -0.27 0.00 0.00 57.70 54.98 1joq n MET 32 Cb 0.48 1.95 -0.08 0.00 2.15 0.00 0.00 33.22 37.72 1joq n MET 32 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 1joq s THR 33 N -2.96 2.90 -0.05 1.12 -4.23 -1.26 -1.71 115.64 109.44 1joq s THR 33 Ca 0.28 -2.02 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 1joq s THR 33 Cb 0.01 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.15 1joq s THR 33 CO 0.20 -0.30 0.28 -0.36 -0.54 0.00 0.00 174.62 173.91 1joq s PHE 34 N -2.45 -0.21 -0.01 3.99 0.08 -0.48 -1.39 117.98 117.51 1joq s PHE 34 Ca 0.33 0.41 0.04 0.00 0.12 0.00 0.00 56.93 57.83 1joq s PHE 34 Cb -0.03 0.08 -0.01 0.00 -0.57 0.00 0.00 43.02 42.49 1joq s PHE 34 CO 0.19 -0.29 -0.13 1.03 -0.10 0.00 0.00 175.22 175.92 1joq s ARG 35 N -0.78 1.06 0.21 0.44 0.52 -0.88 -1.78 118.95 117.73 1joq s ARG 35 Ca -0.09 -0.46 -0.32 0.00 -0.52 0.00 0.00 55.73 54.34 1joq s ARG 35 Cb -0.04 -1.02 -0.13 0.00 0.52 0.00 0.00 34.95 34.27 1joq s ARG 35 CO 0.02 0.27 1.55 1.28 0.02 0.00 0.00 175.30 178.44 1joq n LEU 36 N 2.81 3.36 -4.85 2.53 4.77 -1.16 -4.24 117.00 120.21 1joq n LEU 36 Ca -0.14 1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 56.60 1joq n LEU 36 Cb 0.55 -1.47 -0.06 0.00 -2.33 0.00 0.00 43.42 40.12 1joq n LEU 36 CO 0.25 -0.24 0.23 -0.76 -1.33 0.00 0.00 177.39 175.54 1joq s LEU 37 N 0.54 4.27 -0.02 2.23 1.43 -1.26 -3.95 118.68 121.92 1joq s LEU 37 Ca 0.73 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 1joq s LEU 37 Cb -0.63 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.16 1joq s LEU 37 CO 0.42 0.03 0.00 0.18 0.23 0.00 0.00 176.35 177.21 1joq n LEU 38 N 0.44 0.48 -4.08 1.79 4.77 -1.24 -4.97 117.00 114.19 1joq n LEU 38 Ca -0.03 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1joq n LEU 38 Cb 0.52 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 39.99 1joq n LEU 38 CO 0.43 -0.50 -0.37 0.68 -1.33 0.00 0.00 177.39 176.30 1joq s VAL 39 N -1.52 0.35 -0.17 4.08 -7.23 -1.23 -2.12 120.40 112.57 1joq s VAL 39 Ca 0.00 -1.50 -0.04 0.00 -1.81 0.00 0.00 61.98 58.63 1joq s VAL 39 Cb 0.00 -1.10 0.07 0.00 0.56 0.00 0.00 36.38 35.91 1joq s VAL 39 CO 0.00 -0.75 0.13 -0.62 -0.31 0.00 0.00 175.10 173.55 1joq s ASP 40 N -2.37 1.91 0.21 4.85 -1.08 -0.20 -4.70 116.67 115.29 1joq s ASP 40 Ca -0.00 -0.41 0.04 0.00 -0.52 0.00 0.00 52.55 51.66 1joq s ASP 40 Cb 0.00 -0.03 -0.03 0.00 -1.46 0.00 0.00 42.92 41.40 1joq s ASP 40 CO -0.05 -0.33 0.33 0.42 0.52 0.00 0.00 175.17 176.05 1joq s THR 41 N 2.20 5.24 -0.05 1.71 -4.23 -1.26 -2.50 115.64 116.75 1joq s THR 41 Ca 0.04 -0.91 -0.30 0.00 -1.18 0.00 0.00 61.69 59.34 1joq s THR 41 Cb -0.15 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1joq s THR 41 CO -0.09 -0.25 1.25 -2.16 -0.54 0.00 0.00 174.62 172.83 1joq s PRO 42 N -3.73 4.33 0.09 3.99 0.04 -1.26 -4.83 135.00 133.64 1joq s PRO 42 Ca 0.34 1.74 -0.01 0.00 0.04 0.00 0.00 61.00 63.11 1joq s PRO 42 Cb -0.10 -3.58 0.02 0.00 0.04 0.00 0.00 34.50 30.89 1joq s PRO 42 CO 0.29 -0.49 0.13 -0.85 0.04 0.00 0.00 177.00 176.11 1joq n GLU 43 N 5.33 -0.06 0.00 4.56 0.00 -1.26 -4.62 120.64 124.59 1joq n GLU 43 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 57.16 57.07 1joq n GLU 43 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 31.44 31.77 1joq n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1joq n THR 44 N -2.12 0.00 1.95 3.84 5.66 -1.26 -4.80 114.28 117.54 1joq n THR 44 Ca 0.02 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.10 1joq n THR 44 Cb 0.06 0.00 0.46 0.00 -1.55 0.00 0.00 70.33 69.30 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 0.00 1.05 -3.69 1.09 5.02 -1.26 -4.67 118.16 115.70 1joq n LYS 45 Ca 0.00 -0.07 -0.38 0.00 -2.02 0.00 0.00 58.31 55.83 1joq n LYS 45 Cb 0.00 -1.25 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 1joq n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1joq s HIS 46 N -1.98 3.17 0.04 2.13 3.76 -1.26 -4.95 115.29 116.19 1joq s HIS 46 Ca 0.24 -0.73 -0.09 0.00 -0.15 0.00 0.00 55.06 54.34 1joq s HIS 46 Cb 0.11 -2.32 -0.31 0.00 1.11 0.00 0.00 32.58 31.17 1joq s HIS 46 CO 0.19 -0.51 1.00 -1.00 -0.85 0.00 0.00 174.74 173.57 1joq h PRO 47 N 8.31 0.37 0.00 8.40 0.13 -2.03 -3.40 132.00 143.79 1joq h PRO 47 Ca -0.32 -0.64 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 1joq h PRO 47 Cb 1.14 0.24 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1joq h PRO 47 CO 0.61 1.29 0.00 1.63 -0.23 0.00 0.00 178.00 181.30 1joq n LYS 48 N -3.59 0.00 0.00 0.86 5.02 -1.26 -4.94 118.16 114.25 1joq n LYS 48 Ca -0.14 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1joq n LYS 48 Cb 1.06 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.87 1joq n LYS 48 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1joq n LYS 49 N -1.93 0.00 0.00 1.97 4.76 -1.26 -5.04 118.16 116.66 1joq n LYS 49 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1joq n LYS 49 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1joq n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1joq n GLY 50 N 4.75 1.66 3.73 0.72 0.00 -1.26 -4.83 105.19 109.95 1joq n GLY 50 Ca 0.00 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.46 1joq n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1joq s VAL 51 N 0.00 3.24 -0.41 1.61 1.01 -1.26 -5.07 120.40 119.51 1joq s VAL 51 Ca 0.00 -1.70 0.10 0.00 0.00 0.00 0.00 61.98 60.38 1joq s VAL 51 Cb 0.00 -2.99 0.33 0.00 0.00 0.00 0.00 36.38 33.72 1joq s VAL 51 CO 0.00 -0.23 0.73 -0.62 0.00 0.00 0.00 175.10 174.97 1joq n GLU 52 N -1.11 1.30 -2.67 2.72 1.02 -1.26 -4.79 120.64 115.85 1joq n GLU 52 Ca -0.04 -3.61 -0.04 0.00 -0.02 0.00 0.00 57.16 53.45 1joq n GLU 52 Cb 0.60 -1.72 0.11 0.00 -0.02 0.00 0.00 31.44 30.41 1joq n GLU 52 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1joq n LYS 53 N 0.42 0.25 -0.94 3.49 2.85 -1.26 -4.91 118.16 118.06 1joq n LYS 53 Ca 0.25 -0.85 0.00 0.00 -1.05 0.00 0.00 58.31 56.66 1joq n LYS 53 Cb 0.59 -0.28 0.00 0.00 -0.65 0.00 0.00 35.03 34.69 1joq n LYS 53 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 177.40 178.33 1joq n TYR 54 N 0.66 0.00 -0.35 5.58 4.19 -1.26 -4.85 117.16 121.13 1joq n TYR 54 Ca -0.03 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.15 1joq n TYR 54 Cb 0.74 -1.19 0.02 0.00 0.49 0.00 0.00 39.34 39.41 1joq n TYR 54 CO 0.00 0.00 0.00 0.78 0.91 0.00 0.00 176.86 178.55 1joq h GLY 55 N 0.00 -0.03 -6.43 2.98 0.00 -1.91 -3.34 103.07 94.34 1joq h GLY 55 Ca 0.00 0.53 -0.57 0.00 0.00 0.00 0.00 47.33 47.29 1joq h GLY 55 CO 0.00 -0.19 1.00 2.56 0.00 0.00 0.00 176.54 179.91 1joq s PRO 56 N -5.92 3.74 0.04 4.80 0.04 -1.26 -4.50 135.00 131.94 1joq s PRO 56 Ca -0.14 0.97 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1joq s PRO 56 Cb 0.19 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1joq s PRO 56 CO 0.70 -1.35 0.00 -1.91 0.04 0.00 0.00 177.00 174.49 1joq n GLU 57 N 7.71 0.00 -0.20 4.56 4.07 -1.25 -4.97 120.64 130.56 1joq n GLU 57 Ca 0.15 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.21 1joq n GLU 57 Cb 0.48 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.89 1joq n GLU 57 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1joq h ALA 58 N 0.00 0.14 -0.90 4.31 0.00 -1.86 0.23 119.26 121.18 1joq h ALA 58 Ca 0.00 0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.35 1joq h ALA 58 Cb 0.00 0.65 -0.15 0.00 0.00 0.00 0.00 17.79 18.29 1joq h ALA 58 CO 0.00 -0.58 0.21 1.03 0.00 0.00 0.00 179.25 179.92 1joq h SER 59 N -0.11 -0.07 -0.28 0.00 0.87 -1.82 0.25 113.55 112.40 1joq h SER 59 Ca 0.26 0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.97 1joq h SER 59 Cb 0.52 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1joq h SER 59 CO -0.66 -0.20 -0.05 0.00 -0.53 0.00 0.00 176.83 175.39 1joq h ALA 60 N 1.82 0.38 -0.23 6.23 0.00 -0.92 -0.44 119.26 126.10 1joq h ALA 60 Ca 0.57 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1joq h ALA 60 Cb 1.18 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1joq h ALA 60 CO -0.70 0.17 -0.50 0.35 0.00 0.00 0.00 179.25 178.57 1joq h PHE 61 N 0.28 -1.50 0.00 0.00 3.57 0.38 0.40 116.94 120.07 1joq h PHE 61 Ca 0.07 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1joq h PHE 61 Cb 0.52 0.69 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1joq h PHE 61 CO 0.05 -0.47 0.00 1.15 -2.23 0.00 0.00 178.31 176.81 1joq h THR 62 N -0.45 0.00 0.31 4.41 2.02 -1.43 -2.33 112.91 115.43 1joq h THR 62 Ca 0.05 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1joq h THR 62 Cb 0.58 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1joq h THR 62 CO -0.46 0.00 -0.15 0.50 0.37 0.00 0.00 175.52 175.78 1joq h LYS 63 N 0.00 -0.40 -0.46 6.66 3.11 0.15 -2.47 116.57 123.16 1joq h LYS 63 Ca 0.00 0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.84 1joq h LYS 63 Cb 0.38 0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.68 1joq h LYS 63 CO 0.00 -0.27 0.17 0.87 -2.81 0.00 0.00 179.45 177.41 1joq h LYS 64 N -0.49 0.67 0.00 1.90 6.56 -1.30 -1.00 116.57 122.91 1joq h LYS 64 Ca -0.04 -0.10 0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1joq h LYS 64 Cb 0.32 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.86 1joq h LYS 64 CO 0.07 0.57 0.00 -0.12 -2.06 0.00 0.00 179.45 177.91 1joq n MET 65 N -4.34 0.00 0.16 3.15 1.56 -0.88 -0.93 117.12 115.84 1joq n MET 65 Ca 0.03 0.45 0.11 0.00 -0.27 0.00 0.00 57.70 58.02 1joq n MET 65 Cb 0.17 -1.28 0.63 0.00 2.15 0.00 0.00 33.22 34.89 1joq n MET 65 CO 0.00 0.00 0.00 -0.39 -0.73 0.00 0.00 175.97 174.85 1joq h VAL 66 N 0.00 0.94 0.00 1.12 -1.51 -1.48 0.13 116.25 115.45 1joq h VAL 66 Ca 0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 65.42 1joq h VAL 66 Cb 0.00 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 30.03 1joq h VAL 66 CO 0.00 0.01 -0.15 -0.33 -1.23 0.00 0.00 177.57 175.87 1joq h GLU 67 N 0.06 0.00 -0.02 5.19 5.08 -0.82 -2.36 114.58 121.71 1joq h GLU 67 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1joq h GLU 67 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1joq h GLU 67 CO -0.01 0.15 -0.07 0.09 -1.00 0.00 0.00 179.01 178.17 1joq n ASN 68 N -4.30 1.98 -4.55 1.42 3.02 -0.10 -4.88 115.26 107.84 1joq n ASN 68 Ca -0.03 -1.49 -0.41 0.00 -0.03 0.00 0.00 54.58 52.63 1joq n ASN 68 Cb 0.22 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.28 2.69 -1.57 5.41 0.00 0.30 -4.81 121.76 122.50 1joq s ALA 69 Ca 0.15 -1.36 0.18 0.00 0.00 0.00 0.00 51.96 50.94 1joq s ALA 69 Cb 0.11 -4.28 0.96 0.00 0.00 0.00 0.00 23.12 19.92 1joq s ALA 69 CO 0.21 -3.37 1.54 1.63 0.00 0.00 0.00 175.76 175.77 1joq n LYS 70 N 9.33 0.34 -3.70 0.00 5.02 -1.26 -4.54 118.16 123.35 1joq n LYS 70 Ca 0.06 0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.25 1joq n LYS 70 Cb 0.49 -1.50 -0.18 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.43 -0.01 -0.08 1.97 3.01 -1.26 -5.06 119.74 115.88 1joq s LYS 71 Ca 0.20 0.32 0.01 0.00 -1.01 0.00 0.00 55.97 55.48 1joq s LYS 71 Cb 0.12 -0.50 0.02 0.00 -1.01 0.00 0.00 37.83 36.46 1joq s LYS 71 CO 0.26 -0.30 -0.08 0.42 0.51 0.00 0.00 175.35 176.17 1joq s ILE 72 N 1.94 0.92 -0.02 2.17 1.09 -1.26 -3.09 121.20 122.95 1joq s ILE 72 Ca 0.02 -0.29 0.05 0.00 -1.10 0.00 0.00 60.65 59.33 1joq s ILE 72 Cb -0.12 -0.91 -0.01 0.00 -1.06 0.00 0.00 42.46 40.36 1joq s ILE 72 CO -0.03 0.33 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.36 1joq s GLU 73 N 1.19 1.38 -0.10 2.79 8.01 -0.87 -0.74 118.70 130.36 1joq s GLU 73 Ca -0.05 -0.58 -0.01 0.00 0.01 0.00 0.00 54.97 54.34 1joq s GLU 73 Cb -0.14 -1.31 -0.03 0.00 -4.31 0.00 0.00 34.13 28.34 1joq s GLU 73 CO -0.02 0.33 -0.06 0.14 0.01 0.00 0.00 175.26 175.66 1joq s VAL 74 N -0.29 3.75 -0.50 2.63 -7.23 0.23 -1.08 120.40 117.90 1joq s VAL 74 Ca 0.04 -0.45 0.04 0.00 -1.81 0.00 0.00 61.98 59.80 1joq s VAL 74 Cb -0.07 -2.57 0.13 0.00 0.56 0.00 0.00 36.38 34.43 1joq s VAL 74 CO -0.00 0.57 0.25 -0.70 -0.31 0.00 0.00 175.10 174.91 1joq s GLU 75 N -0.42 1.85 0.26 4.82 2.12 -0.86 -1.94 118.70 124.54 1joq s GLU 75 Ca 0.06 -2.51 -0.30 0.00 0.36 0.00 0.00 54.97 52.58 1joq s GLU 75 Cb -0.12 -3.14 -0.13 0.00 0.26 0.00 0.00 34.13 30.99 1joq s GLU 75 CO 0.02 -1.12 1.31 1.19 -0.54 0.00 0.00 175.26 176.13 1joq n PHE 76 N 3.20 2.01 -0.32 5.30 3.72 -1.26 -2.36 117.46 127.74 1joq n PHE 76 Ca 0.06 0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.97 1joq n PHE 76 Cb 0.33 -2.41 0.00 0.00 -0.94 0.00 0.00 39.48 36.46 1joq n PHE 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1joq n ASP 77 N 1.72 -0.66 0.07 4.37 -0.08 -1.26 -4.65 116.55 116.05 1joq n ASP 77 Ca 0.10 -0.32 0.05 0.00 -1.51 0.00 0.00 54.79 53.11 1joq n ASP 77 Cb 0.32 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.73 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 2.10 -1.93 -3.47 116.57 112.60 1joq h LYS 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1joq h LYS 78 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1joq h LYS 78 CO 0.00 0.16 0.00 0.41 -2.00 0.00 0.00 179.45 178.02 1joq n GLY 79 N 1.30 -1.02 3.72 0.07 0.00 -1.26 -4.95 105.19 103.05 1joq n GLY 79 Ca -0.05 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 1.59 0.00 1.61 -1.52 -1.26 -4.93 119.66 115.14 1joq s GLN 80 Ca 0.00 1.28 0.19 0.00 -1.95 0.00 0.00 55.36 54.88 1joq s GLN 80 Cb 0.00 -1.81 0.46 0.00 -0.22 0.00 0.00 33.01 31.44 1joq s GLN 80 CO 0.00 -2.15 1.39 0.54 -0.25 0.00 0.00 175.29 174.82 1joq n ARG 81 N -3.88 2.56 -3.99 2.91 1.74 -1.26 -4.71 116.66 110.03 1joq n ARG 81 Ca 0.10 -2.32 -0.10 0.00 -0.77 0.00 0.00 57.85 54.76 1joq n ARG 81 Cb 0.53 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.44 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 -1.14 0.03 0.00 0.55 -4.23 -1.26 -2.48 115.64 107.11 1joq s THR 82 Ca 0.38 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1joq s THR 82 Cb 0.21 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1joq s THR 82 CO 0.28 -0.15 0.00 0.47 -0.54 0.00 0.00 174.62 174.68 1joq n ASP 83 N -0.29 0.71 0.07 3.99 8.00 -0.31 -4.84 116.55 123.88 1joq n ASP 83 Ca -0.04 -0.46 -0.07 0.00 0.71 0.00 0.00 54.79 54.93 1joq n ASP 83 Cb 0.63 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.81 1joq n ASP 83 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1joq h LYS 84 N 0.00 0.32 -0.03 -1.24 1.57 -2.03 -2.63 116.57 112.53 1joq h LYS 84 Ca 0.00 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1joq h LYS 84 Cb 0.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1joq h LYS 84 CO 0.00 0.86 0.00 0.66 -0.57 0.00 0.00 179.45 180.40 1joq n TYR 85 N -3.86 0.04 -1.91 -1.35 4.01 -1.26 -4.84 117.16 107.99 1joq n TYR 85 Ca -0.03 -0.02 -0.07 0.00 -0.16 0.00 0.00 57.90 57.62 1joq n TYR 85 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.67 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 0.69 0.28 3.84 2.72 0.00 -0.99 -5.01 105.19 106.72 1joq n GLY 86 Ca 0.08 -0.64 -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 -3.93 3.97 0.06 1.61 0.52 -1.26 -4.76 118.95 115.16 1joq s ARG 87 Ca 0.00 0.47 -0.31 0.00 -0.52 0.00 0.00 55.73 55.37 1joq s ARG 87 Cb 0.00 -3.07 -0.05 0.00 0.52 0.00 0.00 34.95 32.35 1joq s ARG 87 CO 0.00 0.57 1.17 0.20 0.02 0.00 0.00 175.30 177.27 1joq s GLY 88 N -1.46 2.47 -0.18 -3.53 0.00 -0.49 -1.16 107.32 102.98 1joq s GLY 88 Ca 0.32 0.81 -0.01 0.00 0.00 0.00 0.00 44.72 45.84 1joq s GLY 88 CO 0.18 1.99 -0.12 1.08 0.00 0.00 0.00 173.10 176.22 1joq s LEU 89 N 1.03 2.56 -0.08 0.66 1.43 -1.03 -2.08 118.68 121.16 1joq s LEU 89 Ca 0.58 -0.47 -0.31 0.00 -1.03 0.00 0.00 54.13 52.89 1joq s LEU 89 Cb -0.28 -1.61 0.12 0.00 0.03 0.00 0.00 46.19 44.45 1joq s LEU 89 CO 0.29 0.04 1.02 0.00 0.23 0.00 0.00 176.35 177.92 1joq s ALA 90 N 1.12 -1.92 -0.43 4.21 0.00 -1.26 -4.24 121.76 119.23 1joq s ALA 90 Ca 0.01 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.94 1joq s ALA 90 Cb -0.14 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1joq s ALA 90 CO -0.04 -0.64 1.30 0.71 0.00 0.00 0.00 175.76 177.10 1joq s TYR 91 N -2.78 2.57 0.40 0.00 2.02 -0.99 -4.37 117.35 114.19 1joq s TYR 91 Ca 0.06 0.70 -0.23 0.00 -0.37 0.00 0.00 57.07 57.24 1joq s TYR 91 Cb -0.01 -4.34 -0.10 0.00 -0.40 0.00 0.00 41.96 37.10 1joq s TYR 91 CO -0.07 -1.70 0.96 0.42 -1.57 0.00 0.00 175.55 173.59 1joq s ILE 92 N 5.03 4.27 -0.01 2.71 1.01 -1.26 -2.02 121.20 130.92 1joq s ILE 92 Ca 0.56 1.57 0.02 0.00 0.00 0.00 0.00 60.65 62.80 1joq s ILE 92 Cb -0.11 -3.73 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1joq s ILE 92 CO 0.32 -0.15 -0.06 -0.31 0.00 0.00 0.00 174.94 174.73 1joq s TYR 93 N -1.96 0.63 -0.02 3.97 1.51 -0.24 -1.58 117.35 119.65 1joq s TYR 93 Ca 0.58 -0.13 0.02 0.00 -1.01 0.00 0.00 57.07 56.53 1joq s TYR 93 Cb -0.13 -0.44 0.00 0.00 -0.11 0.00 0.00 41.96 41.28 1joq s TYR 93 CO 0.17 -0.04 -0.07 0.00 -1.11 0.00 0.00 175.55 174.50 1joq s ALA 94 N 0.03 0.70 -1.63 3.71 0.00 -0.09 -2.05 121.76 122.43 1joq s ALA 94 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.72 1joq s ALA 94 Cb -0.05 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1joq s ALA 94 CO -0.00 0.10 0.00 -0.25 0.00 0.00 0.00 175.76 175.61 1joq n ASP 95 N 3.33 -5.25 -0.70 0.00 9.92 -1.18 -1.20 116.55 121.47 1joq n ASP 95 Ca -0.18 0.09 -0.08 0.00 -0.53 0.00 0.00 54.79 54.08 1joq n ASP 95 Cb 0.55 -4.32 -0.03 0.00 -0.64 0.00 0.00 41.12 36.68 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 -0.96 0.74 3.44 0.44 0.00 -1.26 -5.01 105.19 102.57 1joq n GLY 96 Ca -0.21 -0.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 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 -3.16 1.59 -0.49 1.61 2.20 -0.34 -5.10 119.74 116.06 1joq s LYS 97 Ca 0.00 -1.85 -0.23 0.00 -0.36 0.00 0.00 55.97 53.53 1joq s LYS 97 Cb 0.00 -0.99 0.03 0.00 -1.51 0.00 0.00 37.83 35.37 1joq s LYS 97 CO 0.00 -0.09 0.83 1.41 -0.36 0.00 0.00 175.35 177.14 1joq s MET 98 N -3.82 3.37 0.25 4.03 -2.45 -1.26 -0.91 119.30 118.51 1joq s MET 98 Ca 0.33 -0.20 -0.03 0.00 -1.25 0.00 0.00 55.69 54.53 1joq s MET 98 Cb 0.07 -3.99 0.49 0.00 1.25 0.00 0.00 34.83 32.65 1joq s MET 98 CO 0.13 -1.25 1.73 0.28 1.05 0.00 0.00 175.02 176.97 1joq h VAL 99 N 5.99 0.65 -0.76 10.11 2.07 -1.61 0.65 116.25 133.35 1joq h VAL 99 Ca -0.25 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1joq h VAL 99 Cb 1.08 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 1joq h VAL 99 CO 1.00 0.08 0.46 0.78 0.02 0.00 0.00 177.57 179.91 1joq h ASN 100 N 0.46 0.71 -0.04 0.57 4.21 -1.91 -1.09 115.58 118.48 1joq h ASN 100 Ca 0.43 0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.89 1joq h ASN 100 Cb 0.66 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1joq h ASN 100 CO -0.41 0.46 -0.18 -0.08 -1.29 0.00 0.00 177.43 175.93 1joq h GLU 101 N 0.84 0.40 0.12 0.81 4.81 -1.28 -2.41 114.58 117.87 1joq h GLU 101 Ca 0.33 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1joq h GLU 101 Cb 0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1joq h GLU 101 CO -0.17 0.57 -0.11 0.00 -0.73 0.00 0.00 179.01 178.58 1joq h ALA 102 N 1.45 -0.22 0.26 2.92 0.00 -0.08 0.13 119.26 123.71 1joq h ALA 102 Ca 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1joq h ALA 102 Cb 0.54 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1joq h ALA 102 CO 0.04 -0.64 -0.14 -0.07 0.00 0.00 0.00 179.25 178.43 1joq h LEU 103 N -0.24 -0.35 -2.37 0.00 3.38 -1.32 -0.30 115.31 114.10 1joq h LEU 103 Ca -0.00 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1joq h LEU 103 Cb 0.23 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1joq h LEU 103 CO -0.02 -0.24 0.18 0.58 0.09 0.00 0.00 178.44 179.04 1joq h VAL 104 N -0.38 0.22 -0.25 1.22 2.07 -1.25 0.27 116.25 118.15 1joq h VAL 104 Ca -0.03 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1joq h VAL 104 Cb 0.30 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1joq h VAL 104 CO 0.04 0.00 -0.29 -0.09 0.02 0.00 0.00 177.57 177.25 1joq h ARG 105 N 0.00 0.64 -0.64 1.57 1.12 0.10 -2.85 114.38 114.32 1joq h ARG 105 Ca 0.04 -0.35 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 1joq h ARG 105 Cb 0.41 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 30.39 1joq h ARG 105 CO -0.00 0.96 0.00 1.04 -3.11 0.00 0.00 179.97 178.86 1joq n GLN 106 N -4.30 3.02 -3.66 0.20 6.02 -0.03 -4.72 117.38 113.91 1joq n GLN 106 Ca -0.05 -1.91 -0.28 0.00 -0.01 0.00 0.00 57.00 54.76 1joq n GLN 106 Cb 0.47 -1.78 0.04 0.00 1.02 0.00 0.00 30.24 29.99 1joq n GLN 106 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1joq n GLY 107 N 0.70 -0.84 0.01 1.08 0.00 -0.55 -4.44 105.19 101.15 1joq n GLY 107 Ca 0.17 0.39 0.02 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.11 0.00 -4.29 0.99 4.77 -0.84 -3.79 117.00 109.73 1joq n LEU 108 Ca -0.14 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 1joq n LEU 108 Cb 0.62 0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.61 1joq n LEU 108 CO 0.67 0.03 -0.52 0.00 -1.33 0.00 0.00 177.39 176.24 1joq s ALA 109 N -2.40 1.83 -0.10 -1.18 0.00 -1.26 -4.59 121.76 114.06 1joq s ALA 109 Ca -0.03 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.68 1joq s ALA 109 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 1joq s ALA 109 CO 0.27 0.38 -0.02 0.15 0.00 0.00 0.00 175.76 176.53 1joq s LYS 110 N -1.83 3.07 0.00 0.00 1.02 -1.04 -4.66 119.74 116.31 1joq s LYS 110 Ca 0.07 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.29 1joq s LYS 110 Cb -0.10 -2.77 -0.07 0.00 -0.52 0.00 0.00 37.83 34.37 1joq s LYS 110 CO 0.04 0.60 1.74 0.08 -0.92 0.00 0.00 175.35 176.89 1joq s VAL 111 N -0.60 3.28 0.26 3.17 1.01 -1.26 -1.03 120.40 125.23 1joq s VAL 111 Ca 0.10 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 1joq s VAL 111 Cb -0.12 -3.29 0.04 0.00 0.00 0.00 0.00 36.38 33.01 1joq s VAL 111 CO 0.02 -0.03 0.60 0.00 0.00 0.00 0.00 175.10 175.69 1joq n ALA 112 N 6.83 -1.38 -3.22 5.51 0.00 -0.90 -4.92 120.51 122.42 1joq n ALA 112 Ca 0.18 -0.89 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 1joq n ALA 112 Cb 0.42 0.68 0.06 0.00 0.00 0.00 0.00 19.45 20.61 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 -0.41 -2.56 -3.64 0.00 4.01 -1.26 -3.57 117.16 109.73 1joq n TYR 113 Ca -0.06 0.90 -0.38 0.00 -0.16 0.00 0.00 57.90 58.21 1joq n TYR 113 Cb 0.43 -4.12 -0.12 0.00 -0.31 0.00 0.00 39.34 35.23 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 -3.32 4.83 -0.39 -0.72 1.01 -1.26 -4.10 120.40 116.45 1joq s VAL 114 Ca 0.38 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1joq s VAL 114 Cb -0.05 -3.37 0.16 0.00 0.00 0.00 0.00 36.38 33.12 1joq s VAL 114 CO 0.74 0.18 0.29 -0.31 0.00 0.00 0.00 175.10 176.01 1joq s TYR 115 N 1.67 1.00 0.71 5.22 2.02 -1.26 -5.07 117.35 121.64 1joq s TYR 115 Ca 0.06 -2.09 -0.17 0.00 -0.37 0.00 0.00 57.07 54.50 1joq s TYR 115 Cb -0.16 -0.95 -0.12 0.00 -0.40 0.00 0.00 41.96 40.33 1joq s TYR 115 CO 0.08 -0.82 -0.13 1.63 -1.57 0.00 0.00 175.55 174.73 1joq n LYS 116 N 3.27 0.08 -0.24 -0.62 5.02 -1.26 -1.67 118.16 122.74 1joq n LYS 116 Ca 0.23 0.04 -0.03 0.00 -2.02 0.00 0.00 58.31 56.53 1joq n LYS 116 Cb 0.44 -1.24 0.06 0.00 -0.02 0.00 0.00 35.03 34.26 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 1.12 1.50 -2.11 1.97 -0.04 -1.26 -5.00 135.00 131.18 1joq n PRO 117 Ca 0.06 -0.68 -0.42 0.00 -0.04 0.00 0.00 63.50 62.42 1joq n PRO 117 Cb 0.50 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 0.14 4.50 -0.94 3.54 3.02 -0.67 -4.15 115.26 120.71 1joq n ASN 118 Ca 0.11 -2.96 -0.06 0.00 -0.03 0.00 0.00 54.58 51.64 1joq n ASN 118 Cb 0.65 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.16 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 5.47 -0.78 -0.17 6.41 0.23 -1.26 -4.32 115.26 120.84 1joq n ASN 119 Ca 0.46 -1.85 0.28 0.00 -0.53 0.00 0.00 54.58 52.95 1joq n ASN 119 Cb 0.39 0.23 0.72 0.00 -2.08 0.00 0.00 39.78 39.05 1joq n ASN 119 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 1joq h THR 120 N 5.07 0.53 -1.57 5.53 2.02 -2.02 -1.82 112.91 120.66 1joq h THR 120 Ca -0.47 0.00 -0.53 0.00 0.77 0.00 0.00 66.41 66.18 1joq h THR 120 Cb 1.36 0.55 -0.41 0.00 -1.74 0.00 0.00 68.15 67.91 1joq h THR 120 CO -0.23 0.00 -0.85 1.41 0.37 0.00 0.00 175.52 176.22 1joq n HIS 121 N -4.23 2.81 -0.10 3.16 8.25 -1.26 -4.84 115.22 119.02 1joq n HIS 121 Ca 0.18 -3.24 -0.18 0.00 -0.26 0.00 0.00 57.72 54.22 1joq n HIS 121 Cb 0.96 -0.24 -0.09 0.00 1.12 0.00 0.00 29.99 31.74 1joq n HIS 121 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1joq n GLU 122 N -0.30 0.54 -0.34 -0.41 4.07 -0.69 -3.85 120.64 119.66 1joq n GLU 122 Ca 0.30 0.56 0.32 0.00 -0.06 0.00 0.00 57.16 58.28 1joq n GLU 122 Cb 0.65 -1.73 0.68 0.00 -0.06 0.00 0.00 31.44 30.98 1joq n GLU 122 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1joq h GLN 123 N -1.00 0.12 0.62 5.31 4.20 -1.88 0.14 115.11 122.61 1joq h GLN 123 Ca -0.28 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 1joq h GLN 123 Cb 1.13 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.89 1joq h GLN 123 CO -0.17 0.08 -0.30 1.25 -0.67 0.00 0.00 178.83 179.02 1joq h LEU 124 N 0.12 -0.70 0.00 1.46 5.85 -1.94 -2.30 115.31 117.80 1joq h LEU 124 Ca 0.60 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.30 1joq h LEU 124 Cb 2.11 0.18 0.00 0.00 0.37 0.00 0.00 40.66 43.33 1joq h LEU 124 CO -0.12 -0.36 0.00 0.18 -0.34 0.00 0.00 178.44 177.80 1joq n LEU 125 N -5.37 0.00 0.06 2.25 4.77 -0.15 -1.99 117.00 116.57 1joq n LEU 125 Ca -0.12 0.42 -0.05 0.00 -0.03 0.00 0.00 56.01 56.23 1joq n LEU 125 Cb 0.36 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1joq n LEU 125 CO 0.32 -0.27 0.13 -0.09 -1.33 0.00 0.00 177.39 176.16 1joq h ARG 126 N 0.00 -0.25 -0.31 3.23 1.12 -0.26 -0.98 114.38 116.94 1joq h ARG 126 Ca 0.00 0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.78 1joq h ARG 126 Cb 0.15 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 1joq h ARG 126 CO 0.00 -0.11 -0.26 1.57 -3.11 0.00 0.00 179.97 178.06 1joq h LYS 127 N -1.05 0.61 -0.45 0.20 2.10 -1.40 -2.65 116.57 113.92 1joq h LYS 127 Ca -0.03 -0.25 -0.07 0.00 -2.00 0.00 0.00 60.65 58.31 1joq h LYS 127 Cb 0.25 -0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.54 1joq h LYS 127 CO 0.04 0.81 -0.00 0.77 -2.00 0.00 0.00 179.45 179.07 1joq h SER 128 N 0.53 0.79 -0.69 7.07 0.02 -1.52 -1.74 113.55 118.01 1joq h SER 128 Ca 0.07 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1joq h SER 128 Cb 0.72 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1joq h SER 128 CO 0.06 0.90 0.42 -0.08 -1.14 0.00 0.00 176.83 176.99 1joq h GLU 129 N 0.65 0.79 0.00 3.45 4.81 -0.97 0.44 114.58 123.75 1joq h GLU 129 Ca 0.13 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1joq h GLU 129 Cb 0.50 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 1joq h GLU 129 CO 0.02 0.52 -0.17 0.00 -0.73 0.00 0.00 179.01 178.66 1joq h ALA 130 N 1.31 1.17 -0.36 2.92 0.00 -1.23 -2.57 119.26 120.50 1joq h ALA 130 Ca 0.29 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1joq h ALA 130 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1joq h ALA 130 CO -0.13 0.21 0.02 0.37 0.00 0.00 0.00 179.25 179.72 1joq h GLN 131 N 0.00 0.62 -0.52 0.00 5.75 0.00 -2.57 115.11 118.39 1joq h GLN 131 Ca -0.00 -0.19 -0.09 0.00 -0.15 0.00 0.00 58.65 58.22 1joq h GLN 131 Cb 0.51 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 1joq h GLN 131 CO 0.02 0.72 -0.05 0.00 -2.65 0.00 0.00 178.83 176.87 1joq h ALA 132 N 0.88 0.93 -0.67 3.38 0.00 -1.11 -2.33 119.26 120.33 1joq h ALA 132 Ca 0.10 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.80 1joq h ALA 132 Cb 0.43 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 1joq h ALA 132 CO 0.01 0.63 0.30 0.87 0.00 0.00 0.00 179.25 181.07 1joq h LYS 133 N 0.84 0.50 -0.47 0.00 1.57 -1.20 0.51 116.57 118.32 1joq h LYS 133 Ca 0.15 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.79 1joq h LYS 133 Cb 0.56 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1joq h LYS 133 CO 0.03 0.33 -0.12 0.87 -0.57 0.00 0.00 179.45 179.99 1joq h LYS 134 N 0.52 0.87 0.00 3.15 1.79 -1.18 -1.85 116.57 119.88 1joq h LYS 134 Ca 0.34 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1joq h LYS 134 Cb 0.38 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1joq h LYS 134 CO -0.29 0.95 0.00 0.39 -1.08 0.00 0.00 179.45 179.42 1joq n GLU 135 N -4.15 0.05 -3.78 3.15 1.02 -0.20 -4.92 120.64 111.82 1joq n GLU 135 Ca 0.01 0.09 -0.30 0.00 -0.02 0.00 0.00 57.16 56.94 1joq n GLU 135 Cb 0.39 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.47 -1.06 -4.42 3.49 5.02 0.16 -4.93 118.16 114.94 1joq n LYS 136 Ca 0.07 0.57 -0.34 0.00 -2.02 0.00 0.00 58.31 56.58 1joq n LYS 136 Cb 0.27 -3.11 -0.11 0.00 -0.02 0.00 0.00 35.03 32.05 1joq n LYS 136 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1joq s LEU 137 N -5.93 3.33 0.00 -0.35 1.43 -1.17 -4.27 118.68 111.72 1joq s LEU 137 Ca 0.25 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1joq s LEU 137 Cb -0.12 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1joq s LEU 137 CO 0.90 0.25 0.00 0.59 0.23 0.00 0.00 176.35 178.32 1joq n ASN 138 N 2.98 0.00 -0.47 2.29 3.02 -1.26 -1.98 115.26 119.84 1joq n ASN 138 Ca -0.18 0.00 0.40 0.00 -0.03 0.00 0.00 54.58 54.77 1joq n ASN 138 Cb 0.53 0.00 0.66 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 -0.21 -1.00 2.41 5.41 -1.25 0.56 119.36 125.28 1joq n ILE 139 Ca 0.00 1.67 -0.15 0.00 1.00 0.00 0.00 62.75 65.27 1joq n ILE 139 Cb 0.00 -2.75 -0.03 0.00 -0.71 0.00 0.00 39.64 36.15 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 -4.51 1.00 -3.43 1.39 7.02 -0.84 -4.90 117.44 113.17 1joq n TRP 140 Ca 0.39 -1.70 -0.38 0.00 -1.02 0.00 0.00 57.50 54.79 1joq n TRP 140 Cb 1.54 -1.09 -0.06 0.00 -2.42 0.00 0.00 31.31 29.27 1joq n TRP 140 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1joq s SER 141 N 0.88 6.84 0.36 -0.99 0.15 0.19 -3.03 113.70 118.10 1joq s SER 141 Ca 0.39 1.00 0.04 0.00 0.70 0.00 0.00 55.95 58.08 1joq s SER 141 Cb 0.25 -2.28 0.04 0.00 -1.71 0.00 0.00 66.02 62.32 1joq s SER 141 CO -0.06 0.27 0.35 -1.84 1.20 0.00 0.00 173.24 173.16 1joq n GLU 142 N 2.08 0.89 -2.06 5.44 0.28 -1.26 -5.07 120.64 120.94 1joq n GLU 142 Ca -0.12 -2.12 -0.27 0.00 -0.16 0.00 0.00 57.16 54.48 1joq n GLU 142 Cb 0.52 0.09 0.09 0.00 1.43 0.00 0.00 31.44 33.57 1joq n GLU 142 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1joq s ASP 143 N -3.15 4.56 0.19 -1.84 1.47 -1.26 -5.01 116.67 111.64 1joq s ASP 143 Ca 0.27 0.57 -0.30 0.00 1.18 0.00 0.00 52.55 54.27 1joq s ASP 143 Cb -0.02 -1.11 -0.08 0.00 -0.34 0.00 0.00 42.92 41.37 1joq s ASP 143 CO 0.17 -1.81 1.16 0.54 0.68 0.00 0.00 175.17 175.91 1joq s ASN 144 N -4.57 7.16 0.26 2.11 2.20 -1.26 -4.83 114.94 116.01 1joq s ASN 144 Ca 0.62 2.19 0.00 0.00 -0.94 0.00 0.00 52.86 54.73 1joq s ASN 144 Cb -0.10 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.54 1joq s ASN 144 CO 0.47 -0.30 0.00 0.00 -2.94 0.00 0.00 177.10 174.33 1joq n ALA 145 N 2.35 -0.29 -3.44 3.54 0.00 -1.26 -4.89 120.51 116.53 1joq n ALA 145 Ca 0.03 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1joq n ALA 145 Cb 0.45 -0.08 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 1joq n ALA 145 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1joq s ASP 146 N -3.86 -0.55 0.03 0.00 1.11 -1.26 -5.05 116.67 107.09 1joq s ASP 146 Ca 0.00 1.05 0.00 0.00 0.18 0.00 0.00 52.55 53.78 1joq s ASP 146 Cb 0.00 1.05 0.00 0.00 1.07 0.00 0.00 42.92 45.04 1joq s ASP 146 CO 0.00 -0.18 0.00 -0.24 1.18 0.00 0.00 175.17 175.93 1joq n SER 147 N 2.94 -0.16 -0.67 0.27 2.88 -1.26 -4.99 113.62 112.63 1joq n SER 147 Ca -0.14 0.06 -0.02 0.00 -1.33 0.00 0.00 58.87 57.43 1joq n SER 147 Cb 0.56 0.35 -0.02 0.00 -0.75 0.00 0.00 64.21 64.35 1joq n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1joq n GLY 148 N 0.28 0.83 0.00 0.46 0.00 -1.26 -5.34 105.19 100.17 1joq n GLY 148 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1joq n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26