#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joq n GLY 2 N 0.00 -3.07 2.88 1.08 0.00 -1.26 -4.97 105.19 99.85 2joq n GLY 2 Ca 0.00 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 2joq n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2joq s HIS 3 N -3.17 2.58 0.61 1.61 3.76 -1.26 -5.13 115.29 114.29 2joq s HIS 3 Ca 0.00 -2.18 -0.11 0.00 -0.15 0.00 0.00 55.06 52.61 2joq s HIS 3 Cb 0.00 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.54 2joq s HIS 3 CO 0.00 -0.88 1.02 -1.64 -0.85 0.00 0.00 174.74 172.40 2joq s MET 4 N 1.32 3.63 1.09 1.40 -1.94 -1.26 -5.04 119.30 118.49 2joq s MET 4 Ca 0.07 0.76 -0.13 0.00 -1.71 0.00 0.00 55.69 54.68 2joq s MET 4 Cb -0.18 -2.09 0.21 0.00 2.01 0.00 0.00 34.83 34.78 2joq s MET 4 CO -0.15 -0.54 0.85 -0.35 -0.01 0.00 0.00 175.02 174.81 2joq n PRO 5 N -2.65 -1.70 -2.34 2.03 -0.04 -1.26 -4.85 135.00 124.19 2joq n PRO 5 Ca 0.06 -0.46 -0.36 0.00 -0.04 0.00 0.00 63.50 62.71 2joq n PRO 5 Cb 0.54 -2.12 -0.04 0.00 -0.04 0.00 0.00 33.50 31.84 2joq n PRO 5 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2joq s SER 6 N -2.34 5.90 0.36 3.54 1.04 -1.26 -4.95 113.70 115.99 2joq s SER 6 Ca 0.65 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2joq s SER 6 Cb -0.23 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.35 2joq s SER 6 CO 0.64 -2.04 0.12 0.47 0.98 0.00 0.00 173.24 173.40 2joq n ASP 7 N 11.02 0.18 -3.59 7.02 9.92 -1.26 -4.95 116.55 134.88 2joq n ASP 7 Ca 0.32 -1.15 -0.40 0.00 -0.53 0.00 0.00 54.79 53.03 2joq n ASP 7 Cb 0.49 -0.07 -0.03 0.00 -0.64 0.00 0.00 41.12 40.87 2joq n ASP 7 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 2joq n SER 8 N -2.98 3.69 -3.83 -2.24 7.64 -1.26 -4.81 113.62 109.83 2joq n SER 8 Ca 0.02 -2.69 -0.14 0.00 1.01 0.00 0.00 58.87 57.06 2joq n SER 8 Cb 0.07 -1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 61.78 2joq n SER 8 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2joq s LYS 9 N 3.98 0.07 0.28 1.43 -0.14 -1.26 -5.10 119.74 119.01 2joq s LYS 9 Ca 0.53 0.06 0.00 0.00 -1.36 0.00 0.00 55.97 55.20 2joq s LYS 9 Cb 0.14 -0.21 0.00 0.00 -1.68 0.00 0.00 37.83 36.09 2joq s LYS 9 CO 0.01 -0.07 0.00 1.63 -0.76 0.00 0.00 175.35 176.16 2joq n LYS 10 N 3.64 -1.90 -1.63 1.68 4.76 -1.26 -4.68 118.16 118.77 2joq n LYS 10 Ca -0.20 1.49 -0.39 0.00 -2.87 0.00 0.00 58.31 56.34 2joq n LYS 10 Cb 0.55 -1.90 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 2joq n LYS 10 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2joq s PRO 11 N -4.51 2.56 -0.06 1.97 0.04 -1.26 -4.90 135.00 128.83 2joq s PRO 11 Ca 0.00 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 2joq s PRO 11 Cb 0.00 -4.48 -0.06 0.00 0.04 0.00 0.00 34.50 30.01 2joq s PRO 11 CO 0.00 -2.76 1.67 0.99 0.04 0.00 0.00 177.00 176.94 2joq s THR 12 N 10.38 3.56 -0.24 1.26 2.01 -1.26 -4.98 115.64 126.36 2joq s THR 12 Ca 0.96 0.68 -0.07 0.00 0.31 0.00 0.00 61.69 63.56 2joq s THR 12 Cb -0.23 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 2joq s THR 12 CO 0.29 -0.07 0.07 -0.63 -0.69 0.00 0.00 174.62 173.60 2joq s ILE 13 N 4.14 4.37 -0.32 1.82 -1.09 -1.26 -5.07 121.20 123.79 2joq s ILE 13 Ca 0.74 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 59.00 2joq s ILE 13 Cb -0.33 -3.04 0.07 0.00 -1.58 0.00 0.00 42.46 37.57 2joq s ILE 13 CO 0.30 0.35 0.03 -0.63 -1.23 0.00 0.00 174.94 173.75 2joq s ILE 14 N 1.52 2.88 0.54 2.92 1.01 -1.26 -5.11 121.20 123.70 2joq s ILE 14 Ca 0.06 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 58.91 2joq s ILE 14 Cb -0.15 -2.76 -0.06 0.00 0.01 0.00 0.00 42.46 39.50 2joq s ILE 14 CO 0.04 -0.25 1.05 -0.31 0.00 0.00 0.00 174.94 175.47 2joq s TYR 15 N 1.18 2.97 0.70 3.97 1.51 -1.26 -4.48 117.35 121.94 2joq s TYR 15 Ca -0.02 1.54 -0.11 0.00 -1.01 0.00 0.00 57.07 57.48 2joq s TYR 15 Cb -0.20 -3.05 0.02 0.00 -0.11 0.00 0.00 41.96 38.61 2joq s TYR 15 CO -0.03 -1.01 1.08 -1.25 -1.11 0.00 0.00 175.55 173.23 2joq s PRO 16 N -3.65 2.81 -0.05 -1.71 0.04 -1.26 -5.06 135.00 126.12 2joq s PRO 16 Ca 0.66 0.38 -0.23 0.00 0.04 0.00 0.00 61.00 61.84 2joq s PRO 16 Cb -0.17 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.37 2joq s PRO 16 CO 0.29 -1.03 0.52 0.00 0.04 0.00 0.00 177.00 176.82 2joq s LEU 18 N -1.11 3.34 0.01 0.00 1.43 -1.26 -0.76 118.68 120.33 2joq s LEU 18 Ca -0.11 0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2joq s LEU 18 Cb -0.02 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 2joq s LEU 18 CO 0.07 -1.79 0.23 0.86 0.23 0.00 0.00 176.35 175.95 2joq s TRP 19 N 6.22 3.55 -0.08 0.29 -0.11 0.45 -4.85 118.94 124.43 2joq s TRP 19 Ca 0.49 0.45 -0.03 0.00 1.22 0.00 0.00 56.10 58.23 2joq s TRP 19 Cb -0.10 -1.90 -0.04 0.00 -1.50 0.00 0.00 33.47 29.93 2joq s TRP 19 CO 0.22 0.61 0.07 0.16 -4.62 0.00 0.00 176.95 173.39 2joq s ASP 20 N -1.92 5.71 -0.15 5.86 -4.77 -1.26 -1.73 116.67 118.40 2joq s ASP 20 Ca 0.29 0.25 -0.00 0.00 -3.30 0.00 0.00 52.55 49.79 2joq s ASP 20 Cb -0.13 -1.70 0.03 0.00 -1.09 0.00 0.00 42.92 40.04 2joq s ASP 20 CO 0.19 0.36 -0.07 -0.31 0.70 0.00 0.00 175.17 176.04 2joq s TYR 21 N -1.01 1.75 -0.45 2.11 1.51 0.12 -4.76 117.35 116.63 2joq s TYR 21 Ca 0.16 -1.05 -0.29 0.00 -1.01 0.00 0.00 57.07 54.89 2joq s TYR 21 Cb -0.12 -1.35 0.03 0.00 -0.11 0.00 0.00 41.96 40.41 2joq s TYR 21 CO 0.06 -0.60 1.10 0.50 -1.11 0.00 0.00 175.55 175.49 2joq s ARG 22 N 1.62 3.75 -0.34 -0.62 6.06 -1.15 -1.24 118.95 127.03 2joq s ARG 22 Ca 0.02 0.58 -0.04 0.00 -2.50 0.00 0.00 55.73 53.79 2joq s ARG 22 Cb -0.14 -3.89 0.06 0.00 0.06 0.00 0.00 34.95 31.04 2joq s ARG 22 CO -0.08 -1.29 0.09 0.08 -2.50 0.00 0.00 175.30 171.60 2joq s VAL 23 N 4.25 3.40 -0.42 7.11 1.01 0.10 -1.14 120.40 134.73 2joq s VAL 23 Ca 0.46 -1.43 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 2joq s VAL 23 Cb -0.08 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.29 2joq s VAL 23 CO 0.29 -0.27 0.34 -0.63 0.00 0.00 0.00 175.10 174.82 2joq s ILE 24 N 1.29 5.22 0.12 2.22 1.01 -0.61 -0.44 121.20 130.02 2joq s ILE 24 Ca -0.01 -0.63 0.08 0.00 0.00 0.00 0.00 60.65 60.09 2joq s ILE 24 Cb -0.20 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2joq s ILE 24 CO -0.00 -0.36 -0.12 -0.04 0.00 0.00 0.00 174.94 174.42 2joq s MET 25 N 1.78 2.01 -0.22 2.79 -1.94 -0.24 -0.93 119.30 122.54 2joq s MET 25 Ca 0.06 -1.11 0.01 0.00 -1.71 0.00 0.00 55.69 52.94 2joq s MET 25 Cb -0.19 -2.22 0.24 0.00 2.01 0.00 0.00 34.83 34.67 2joq s MET 25 CO 0.10 0.49 1.64 0.25 -0.01 0.00 0.00 175.02 177.49 2joq n THR 26 N 0.64 2.23 -3.55 2.05 -2.24 -0.18 -0.49 114.28 112.73 2joq n THR 26 Ca -0.14 -1.09 -0.13 0.00 -2.27 0.00 0.00 64.05 60.42 2joq n THR 26 Cb 0.53 -1.01 -0.05 0.00 -2.10 0.00 0.00 70.33 67.70 2joq n THR 26 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2joq s THR 27 N -1.63 0.03 -1.04 4.28 -1.32 -1.26 -4.89 115.64 109.80 2joq s THR 27 Ca 0.25 -0.23 0.24 0.00 -1.21 0.00 0.00 61.69 60.74 2joq s THR 27 Cb 0.21 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 70.13 2joq s THR 27 CO 0.03 -0.12 1.26 0.29 -2.21 0.00 0.00 174.62 173.86 2joq n LYS 28 N 0.22 0.05 -2.85 7.08 5.02 -1.26 -4.70 118.16 121.71 2joq n LYS 28 Ca -0.18 -0.03 -0.44 0.00 -2.02 0.00 0.00 58.31 55.64 2joq n LYS 28 Cb 0.61 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.11 2joq n LYS 28 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2joq s ASP 29 N -2.97 6.86 -0.72 4.39 2.15 -1.26 -4.94 116.67 120.18 2joq s ASP 29 Ca 0.11 -2.51 -0.24 0.00 0.43 0.00 0.00 52.55 50.33 2joq s ASP 29 Cb 0.17 -2.44 0.05 0.00 -0.30 0.00 0.00 42.92 40.40 2joq s ASP 29 CO 0.74 -0.97 1.13 0.28 -0.17 0.00 0.00 175.17 176.19 2joq s THR 30 N 2.60 4.05 0.00 1.71 -1.32 -1.26 -4.82 115.64 116.60 2joq s THR 30 Ca 0.42 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.83 2joq s THR 30 Cb -0.02 -4.81 0.00 0.00 -1.51 0.00 0.00 72.50 66.16 2joq s THR 30 CO -0.02 -1.66 0.00 -1.54 -2.21 0.00 0.00 174.62 169.19 2joq n SER 31 N 8.47 0.00 -0.19 8.08 3.41 -1.26 -4.55 113.62 127.58 2joq n SER 31 Ca 0.01 0.00 0.27 0.00 -0.26 0.00 0.00 58.87 58.89 2joq n SER 31 Cb 0.47 -0.05 0.68 0.00 -0.26 0.00 0.00 64.21 65.06 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2joq h THR 32 N 0.00 0.57 0.29 6.66 2.02 -1.98 0.19 112.91 120.66 2joq h THR 32 Ca 0.00 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 2joq h THR 32 Cb 0.00 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2joq h THR 32 CO 0.00 0.01 -0.18 0.25 0.37 0.00 0.00 175.52 175.97 2joq h LEU 33 N 0.07 -0.45 -0.76 2.58 5.85 -1.94 -1.07 115.31 119.59 2joq h LEU 33 Ca 0.43 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 59.09 2joq h LEU 33 Cb 1.60 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.75 2joq h LEU 33 CO -0.04 -0.29 -0.04 0.11 -0.34 0.00 0.00 178.44 177.84 2joq h LYS 34 N -0.46 0.89 -0.11 1.25 1.57 -1.24 -2.79 116.57 115.68 2joq h LYS 34 Ca -0.03 -0.28 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 2joq h LYS 34 Cb 0.38 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2joq h LYS 34 CO 0.03 0.92 -0.09 0.93 -0.57 0.00 0.00 179.45 180.66 2joq h GLU 35 N 0.82 -0.11 -0.12 3.15 4.39 -1.00 -1.76 114.58 119.96 2joq h GLU 35 Ca 0.15 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 2joq h GLU 35 Cb 0.55 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2joq h GLU 35 CO 0.03 -0.07 -0.26 1.37 -1.16 0.00 0.00 179.01 178.92 2joq h LEU 36 N -0.11 0.21 -0.54 1.33 8.10 -1.14 -2.65 115.31 120.51 2joq h LEU 36 Ca 0.07 -0.06 -0.06 0.00 0.11 0.00 0.00 57.88 57.94 2joq h LEU 36 Cb 0.22 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.36 2joq h LEU 36 CO -0.18 0.48 0.10 -0.07 -4.11 0.00 0.00 178.44 174.65 2joq h LEU 37 N 0.19 0.85 -1.60 0.17 3.38 -1.13 -2.96 115.31 114.20 2joq h LEU 37 Ca 0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 2joq h LEU 37 Cb 0.57 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2joq h LEU 37 CO 0.04 0.89 -0.17 -0.33 0.09 0.00 0.00 178.44 178.95 2joq h GLU 38 N 0.78 0.00 0.00 1.13 5.08 -0.97 -2.71 114.58 117.88 2joq h GLU 38 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2joq h GLU 38 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2joq h GLU 38 CO 0.01 0.17 0.00 1.79 -1.00 0.00 0.00 179.01 179.98 2joq h THR 39 N 0.00 0.00 -0.00 1.13 1.35 -1.41 -0.14 112.91 113.84 2joq h THR 39 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2joq h THR 39 Cb 0.50 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 2joq h THR 39 CO 0.02 0.00 -0.06 -1.22 -0.25 0.00 0.00 175.52 174.01 2joq n TYR 40 N -2.88 0.00 -1.43 4.73 4.01 -1.02 -4.90 117.16 115.68 2joq n TYR 40 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 2joq n TYR 40 Cb 0.16 -0.22 -0.06 0.00 -0.31 0.00 0.00 39.34 38.91 2joq n TYR 40 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2joq n GLN 41 N -1.11 -1.44 -4.31 -0.72 1.13 -0.07 -4.97 117.38 105.91 2joq n GLN 41 Ca 0.15 1.01 -0.27 0.00 -1.94 0.00 0.00 57.00 55.95 2joq n GLN 41 Cb 0.25 -5.33 -0.09 0.00 0.11 0.00 0.00 30.24 25.18 2joq n GLN 41 CO 0.00 0.00 0.00 -0.98 -1.44 0.00 0.00 177.06 174.64 2joq s ARG 42 N -3.20 2.00 0.49 -1.09 1.70 -1.26 -5.12 118.95 112.47 2joq s ARG 42 Ca 0.00 -1.31 -0.22 0.00 -0.47 0.00 0.00 55.73 53.73 2joq s ARG 42 Cb 0.00 -2.12 -0.07 0.00 -0.57 0.00 0.00 34.95 32.20 2joq s ARG 42 CO 0.00 0.42 1.16 -1.25 -1.08 0.00 0.00 175.30 174.56 2joq s PRO 43 N -2.87 3.58 0.26 3.89 0.04 -1.26 -4.77 135.00 133.88 2joq s PRO 43 Ca 0.25 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.06 2joq s PRO 43 Cb -0.08 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 2joq s PRO 43 CO 0.15 -0.69 0.16 -0.59 0.04 0.00 0.00 177.00 176.06 2joq s PHE 44 N -1.60 1.46 -0.06 0.56 -0.71 -1.26 -3.89 117.98 112.47 2joq s PHE 44 Ca 0.67 -1.39 -0.01 0.00 -1.04 0.00 0.00 56.93 55.17 2joq s PHE 44 Cb -0.28 -0.74 0.03 0.00 -1.21 0.00 0.00 43.02 40.82 2joq s PHE 44 CO 0.33 -0.59 -0.01 0.21 -1.34 0.00 0.00 175.22 173.83 2joq s LYS 45 N -3.92 0.61 -0.36 1.99 2.47 0.62 -4.95 119.74 116.21 2joq s LYS 45 Ca 0.38 0.07 -0.05 0.00 -1.56 0.00 0.00 55.97 54.81 2joq s LYS 45 Cb 0.06 -0.89 0.06 0.00 -1.46 0.00 0.00 37.83 35.59 2joq s LYS 45 CO 0.16 -0.25 0.13 -1.17 0.16 0.00 0.00 175.35 174.38 2joq s LEU 46 N 1.70 4.54 -0.11 5.43 1.98 -1.26 -1.42 118.68 129.54 2joq s LEU 46 Ca 0.01 -1.38 0.03 0.00 -2.89 0.00 0.00 54.13 49.90 2joq s LEU 46 Cb -0.13 -1.85 0.00 0.00 0.66 0.00 0.00 46.19 44.87 2joq s LEU 46 CO -0.04 -0.39 -0.23 -1.61 -1.89 0.00 0.00 176.35 172.20 2joq s GLU 47 N 1.33 3.08 -0.52 1.98 0.41 -0.43 -4.97 118.70 119.58 2joq s GLU 47 Ca 0.00 -0.86 -0.25 0.00 -0.41 0.00 0.00 54.97 53.45 2joq s GLU 47 Cb -0.21 -2.35 0.03 0.00 -1.78 0.00 0.00 34.13 29.82 2joq s GLU 47 CO 0.01 0.15 0.97 0.12 -0.49 0.00 0.00 175.26 176.02 2joq s PHE 48 N 0.42 2.82 -0.17 1.61 5.36 -1.26 -0.07 117.98 126.69 2joq s PHE 48 Ca -0.16 0.22 -0.18 0.00 -0.96 0.00 0.00 56.93 55.85 2joq s PHE 48 Cb -0.17 -4.10 -0.15 0.00 -0.34 0.00 0.00 43.02 38.26 2joq s PHE 48 CO 0.07 -1.28 0.21 0.87 -1.46 0.00 0.00 175.22 173.63 2joq h LYS 49 N 9.25 0.00 -3.31 10.12 1.79 -1.41 -3.49 116.57 129.52 2joq h LYS 49 Ca -0.25 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.19 2joq h LYS 49 Cb 1.07 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.61 2joq h LYS 49 CO 1.08 0.66 0.02 1.21 -1.08 0.00 0.00 179.45 181.33 2joq s ASN 50 N -6.33 -0.27 0.04 0.86 3.04 -1.16 -5.03 114.94 106.10 2joq s ASN 50 Ca -0.21 -0.43 0.06 0.00 0.04 0.00 0.00 52.86 52.32 2joq s ASN 50 Cb 0.03 0.56 -0.02 0.00 -1.54 0.00 0.00 41.25 40.27 2joq s ASN 50 CO 0.46 -1.01 -0.17 0.28 -3.04 0.00 0.00 177.10 173.62 2joq s THR 51 N -3.86 1.32 0.89 -5.21 -1.32 -1.26 -0.77 115.64 105.43 2joq s THR 51 Ca 0.08 -1.09 -0.10 0.00 -1.21 0.00 0.00 61.69 59.37 2joq s THR 51 Cb -0.00 -1.17 0.13 0.00 -1.51 0.00 0.00 72.50 69.94 2joq s THR 51 CO -0.05 0.07 1.14 -0.55 -2.21 0.00 0.00 174.62 173.02 2joq s SER 52 N -1.18 3.19 0.38 8.08 0.15 0.50 -4.84 113.70 119.97 2joq s SER 52 Ca 0.04 2.12 0.06 0.00 0.70 0.00 0.00 55.95 58.87 2joq s SER 52 Cb -0.08 -2.55 0.76 0.00 -1.71 0.00 0.00 66.02 62.43 2joq s SER 52 CO 0.02 -2.92 1.97 0.11 1.20 0.00 0.00 173.24 173.61 2joq h LYS 53 N -1.75 0.48 0.00 5.44 1.57 -2.01 0.18 116.57 120.48 2joq h LYS 53 Ca -0.43 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2joq h LYS 53 Cb 1.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2joq h LYS 53 CO 0.43 0.43 0.00 0.09 -0.57 0.00 0.00 179.45 179.83 2joq n ASN 54 N -4.37 0.01 -1.17 0.86 3.02 -1.26 -4.89 115.26 107.46 2joq n ASN 54 Ca 0.02 0.50 -0.14 0.00 -0.03 0.00 0.00 54.58 54.93 2joq n ASN 54 Cb 0.16 -0.50 -0.06 0.00 -0.61 0.00 0.00 39.78 38.76 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2joq n ALA 55 N -1.50 -0.22 -0.03 5.41 0.00 0.05 -4.79 120.51 119.43 2joq n ALA 55 Ca 0.07 0.23 -0.02 0.00 0.00 0.00 0.00 53.44 53.72 2joq n ALA 55 Cb 0.33 -1.77 -0.13 0.00 0.00 0.00 0.00 19.45 17.87 2joq n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2joq n LYS 56 N -1.48 0.65 -3.93 0.00 4.81 -1.26 -4.83 118.16 112.12 2joq n LYS 56 Ca -0.14 0.07 -0.35 0.00 -0.87 0.00 0.00 58.31 57.01 2joq n LYS 56 Cb 0.59 -1.65 -0.14 0.00 0.02 0.00 0.00 35.03 33.84 2joq n LYS 56 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2joq s PHE 57 N -2.87 2.98 -0.17 5.64 0.40 -1.26 -4.14 117.98 118.55 2joq s PHE 57 Ca -0.06 -1.17 -0.04 0.00 -0.60 0.00 0.00 56.93 55.06 2joq s PHE 57 Cb 0.09 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 2joq s PHE 57 CO 0.84 -0.62 -0.03 0.71 0.70 0.00 0.00 175.22 176.81 2joq s TYR 58 N 1.42 3.01 -0.40 0.36 2.02 0.35 -0.37 117.35 123.75 2joq s TYR 58 Ca 0.04 -0.41 -0.20 0.00 -0.37 0.00 0.00 57.07 56.13 2joq s TYR 58 Cb -0.15 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.43 2joq s TYR 58 CO -0.04 -0.14 0.62 -1.12 -1.57 0.00 0.00 175.55 173.30 2joq s SER 59 N 0.61 6.35 0.10 2.29 0.01 0.05 -1.08 113.70 122.03 2joq s SER 59 Ca -0.02 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.13 2joq s SER 59 Cb -0.14 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 2joq s SER 59 CO 0.02 -0.67 0.09 -0.36 0.41 0.00 0.00 173.24 172.73 2joq s PHE 60 N 2.71 3.16 -0.17 2.43 0.08 0.42 -0.97 117.98 125.64 2joq s PHE 60 Ca 0.22 0.05 0.01 0.00 0.12 0.00 0.00 56.93 57.33 2joq s PHE 60 Cb -0.14 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.74 2joq s PHE 60 CO 0.17 0.52 -0.20 1.21 -0.10 0.00 0.00 175.22 176.82 2joq s ASN 61 N -2.55 3.06 -0.25 1.36 2.47 0.90 -0.72 114.94 119.20 2joq s ASN 61 Ca 0.29 -0.62 -0.07 0.00 0.42 0.00 0.00 52.86 52.89 2joq s ASN 61 Cb -0.12 -1.43 -0.02 0.00 -1.45 0.00 0.00 41.25 38.24 2joq s ASN 61 CO 0.22 0.01 0.05 -0.69 -3.72 0.00 0.00 177.10 172.97 2joq s VAL 62 N 1.20 4.10 -0.23 -5.21 1.01 -0.37 -1.32 120.40 119.57 2joq s VAL 62 Ca 0.02 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.71 2joq s VAL 62 Cb -0.14 -2.94 0.04 0.00 0.00 0.00 0.00 36.38 33.35 2joq s VAL 62 CO -0.10 0.31 -0.13 -0.44 0.00 0.00 0.00 175.10 174.74 2joq s SER 63 N 1.57 3.96 0.14 3.32 0.01 -0.51 0.15 113.70 122.35 2joq s SER 63 Ca 0.06 -1.05 -0.02 0.00 1.31 0.00 0.00 55.95 56.25 2joq s SER 63 Cb -0.15 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 2joq s SER 63 CO 0.02 -0.11 0.09 0.00 0.41 0.00 0.00 173.24 173.65 2joq s MET 64 N 1.20 0.97 0.52 12.44 0.23 -0.71 -0.28 119.30 133.68 2joq s MET 64 Ca -0.03 -1.41 -0.19 0.00 -1.03 0.00 0.00 55.69 53.03 2joq s MET 64 Cb -0.17 0.26 -0.07 0.00 -1.53 0.00 0.00 34.83 33.32 2joq s MET 64 CO -0.08 -0.29 1.06 -1.21 -2.03 0.00 0.00 175.02 172.48 2joq s GLU 65 N -4.04 3.60 -0.05 3.16 2.02 -1.25 -0.41 118.70 121.73 2joq s GLU 65 Ca 0.24 1.38 -0.00 0.00 0.02 0.00 0.00 54.97 56.61 2joq s GLU 65 Cb 0.07 -2.06 0.03 0.00 0.10 0.00 0.00 34.13 32.26 2joq s GLU 65 CO 0.02 -0.60 -0.01 0.14 0.02 0.00 0.00 175.26 174.83 2joq s VAL 66 N -2.03 0.30 -0.08 2.63 -7.23 0.07 -4.83 120.40 109.23 2joq s VAL 66 Ca 0.68 0.07 0.05 0.00 -1.81 0.00 0.00 61.98 60.97 2joq s VAL 66 Cb -0.18 -0.41 -0.24 0.00 0.56 0.00 0.00 36.38 36.11 2joq s VAL 66 CO 0.25 0.20 0.53 -0.24 -0.31 0.00 0.00 175.10 175.53 2joq n SER 67 N 4.47 1.36 -4.24 4.85 2.88 -1.26 -1.77 113.62 119.91 2joq n SER 67 Ca -0.19 0.32 -0.22 0.00 -1.33 0.00 0.00 58.87 57.45 2joq n SER 67 Cb 0.50 -0.36 -0.09 0.00 -0.75 0.00 0.00 64.21 63.51 2joq n SER 67 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2joq s ASN 68 N -6.45 2.29 0.23 -3.46 2.20 -1.26 -4.36 114.94 104.13 2joq s ASN 68 Ca -0.12 -1.52 0.12 0.00 -0.94 0.00 0.00 52.86 50.40 2joq s ASN 68 Cb 0.07 0.25 0.03 0.00 -2.00 0.00 0.00 41.25 39.61 2joq s ASN 68 CO 0.80 -0.79 1.42 -0.08 -2.94 0.00 0.00 177.10 175.51 2joq h GLU 69 N 2.02 0.00 -0.68 3.55 4.81 -2.01 -3.21 114.58 119.06 2joq h GLU 69 Ca -0.37 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 2joq h GLU 69 Cb 1.26 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.61 2joq h GLU 69 CO 0.61 0.67 0.15 1.03 -0.73 0.00 0.00 179.01 180.74 2joq h SER 70 N 0.00 1.03 -0.90 1.04 0.87 -2.00 -2.49 113.55 111.10 2joq h SER 70 Ca -0.01 -0.22 0.06 0.00 -1.23 0.00 0.00 61.79 60.39 2joq h SER 70 Cb 1.47 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 63.10 2joq h SER 70 CO 0.09 1.00 0.59 -0.33 -0.53 0.00 0.00 176.83 177.64 2joq h GLU 71 N 1.03 1.01 -0.02 2.24 5.08 -1.98 0.16 114.58 122.10 2joq h GLU 71 Ca 0.21 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2joq h GLU 71 Cb 0.38 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 2joq h GLU 71 CO 0.00 0.67 0.02 -0.09 -1.00 0.00 0.00 179.01 178.62 2joq h ARG 72 N 1.04 0.00 0.07 2.33 2.43 -1.55 0.13 114.38 118.84 2joq h ARG 72 Ca 0.38 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.29 2joq h ARG 72 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2joq h ARG 72 CO -0.14 0.00 -1.38 -0.91 -1.51 0.00 0.00 179.97 176.03 2joq h ASN 73 N 0.00 0.24 0.55 -3.80 2.35 -0.96 -3.26 115.58 110.70 2joq h ASN 73 Ca 0.01 -0.77 -0.02 0.00 -0.55 0.00 0.00 56.30 54.97 2joq h ASN 73 Cb 0.06 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 2joq h ASN 73 CO -0.00 1.58 -0.31 -0.08 -1.65 0.00 0.00 177.43 176.97 2joq h GLU 74 N -0.50 -0.78 -0.88 0.81 4.81 -0.22 -1.42 114.58 116.39 2joq h GLU 74 Ca -0.32 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2joq h GLU 74 Cb 1.62 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 31.11 2joq h GLU 74 CO -0.02 -0.52 0.55 0.82 -0.73 0.00 0.00 179.01 179.10 2joq h ILE 75 N -0.81 1.04 -0.74 2.32 2.04 -0.98 0.13 117.51 120.50 2joq h ILE 75 Ca -0.07 -0.34 0.08 0.00 1.00 0.00 0.00 64.86 65.53 2joq h ILE 75 Cb 0.65 -0.04 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 2joq h ILE 75 CO 0.08 0.18 0.41 0.15 0.00 0.00 0.00 178.15 178.97 2joq h PHE 76 N 0.99 0.74 -0.37 1.37 3.57 -1.53 -0.17 116.94 121.54 2joq h PHE 76 Ca 0.39 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.79 2joq h PHE 76 Cb 0.19 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2joq h PHE 76 CO -0.03 0.31 -0.27 1.96 -2.23 0.00 0.00 178.31 178.05 2joq h GLN 77 N 0.71 0.83 -0.84 1.11 4.20 -0.09 -2.91 115.11 118.12 2joq h GLN 77 Ca 0.35 -0.41 0.08 0.00 0.06 0.00 0.00 58.65 58.73 2joq h GLN 77 Cb 0.30 -0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.02 2joq h GLN 77 CO -0.23 1.04 0.50 0.87 -0.67 0.00 0.00 178.83 180.35 2joq h LYS 78 N 0.63 0.86 0.00 1.46 1.79 -0.18 -0.08 116.57 121.05 2joq h LYS 78 Ca 0.07 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2joq h LYS 78 Cb 0.85 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2joq h LYS 78 CO 0.07 0.57 -0.13 0.82 -1.08 0.00 0.00 179.45 179.70 2joq h ILE 79 N 0.89 1.04 0.00 1.86 2.04 -0.93 -1.61 117.51 120.80 2joq h ILE 79 Ca 0.38 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 2joq h ILE 79 Cb 0.25 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2joq h ILE 79 CO -0.20 0.13 -0.14 -1.28 0.00 0.00 0.00 178.15 176.66 2joq h SER 80 N 0.00 0.00 0.58 1.72 0.87 -0.83 -3.23 113.55 112.66 2joq h SER 80 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2joq h SER 80 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2joq h SER 80 CO 0.02 0.14 0.00 0.00 -0.53 0.00 0.00 176.83 176.46 2joq n GLN 81 N -3.16 0.02 -0.02 2.24 6.02 -0.60 -3.05 117.38 118.83 2joq n GLN 81 Ca 0.03 0.23 -0.05 0.00 -0.01 0.00 0.00 57.00 57.20 2joq n GLN 81 Cb 0.54 -1.53 0.16 0.00 1.02 0.00 0.00 30.24 30.44 2joq n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2joq h LEU 82 N 0.00 0.58 0.00 1.08 3.38 -1.67 -3.46 115.31 115.22 2joq h LEU 82 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2joq h LEU 82 Cb 0.29 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2joq h LEU 82 CO 0.00 0.81 0.00 -0.67 0.09 0.00 0.00 178.44 178.67 2joq n ASP 83 N -4.12 0.00 0.19 -0.43 2.03 -1.17 -4.62 116.55 108.43 2joq n ASP 83 Ca -0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 2joq n ASP 83 Cb 0.42 0.00 0.78 0.00 -0.72 0.00 0.00 41.12 41.59 2joq n ASP 83 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2joq h LYS 84 N 0.00 0.00 -6.51 -0.67 1.57 -1.90 -3.41 116.57 105.65 2joq h LYS 84 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2joq h LYS 84 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2joq h LYS 84 CO 0.00 0.00 0.17 0.54 -0.57 0.00 0.00 179.45 179.59 2joq s VAL 85 N -4.79 4.39 -0.06 0.50 0.11 -1.26 -1.02 120.40 118.27 2joq s VAL 85 Ca -0.05 1.68 0.11 0.00 -2.93 0.00 0.00 61.98 60.79 2joq s VAL 85 Cb 0.16 -4.13 -0.16 0.00 -1.53 0.00 0.00 36.38 30.73 2joq s VAL 85 CO 0.60 0.53 0.15 1.33 -3.33 0.00 0.00 175.10 174.38 2joq n VAL 86 N 1.60 0.35 -3.66 2.04 0.24 -0.11 -4.93 118.33 113.87 2joq n VAL 86 Ca -0.06 -0.36 -0.19 0.00 -2.04 0.00 0.00 64.34 61.70 2joq n VAL 86 Cb 0.49 -0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.47 2joq n VAL 86 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2joq s GLN 87 N -2.54 -0.02 -0.20 7.34 0.74 -1.14 -5.05 119.66 118.79 2joq s GLN 87 Ca -0.05 0.43 -0.03 0.00 0.05 0.00 0.00 55.36 55.76 2joq s GLN 87 Cb 0.05 -0.49 -0.01 0.00 1.10 0.00 0.00 33.01 33.66 2joq s GLN 87 CO 0.46 -0.34 -0.06 0.95 -0.55 0.00 0.00 175.29 175.75 2joq s THR 88 N 2.22 3.37 -0.20 -0.34 -4.23 -1.26 -1.57 115.64 113.63 2joq s THR 88 Ca 0.04 -0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2joq s THR 88 Cb -0.12 -2.51 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 2joq s THR 88 CO -0.05 0.45 0.02 -0.76 -0.54 0.00 0.00 174.62 173.74 2joq s LEU 89 N 1.17 3.38 -0.44 4.79 1.02 -0.29 -5.02 118.68 123.30 2joq s LEU 89 Ca 0.02 -0.15 0.05 0.00 0.02 0.00 0.00 54.13 54.07 2joq s LEU 89 Cb -0.14 -1.86 0.18 0.00 0.02 0.00 0.00 46.19 44.38 2joq s LEU 89 CO -0.01 0.07 0.44 0.61 0.02 0.00 0.00 176.35 177.48 2joq n GLY 90 N 4.21 1.47 0.00 -3.19 0.00 -1.26 -2.94 105.19 103.48 2joq n GLY 90 Ca -0.17 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76