#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 -0.06 3.63 1.08 0.00 -1.26 -4.99 105.19 103.59 2joq n GLY 2 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 2joq n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2joq s HIS 3 N -2.75 3.29 0.45 1.61 5.04 -1.26 -5.07 115.29 116.59 2joq s HIS 3 Ca 0.09 0.58 -0.13 0.00 -1.54 0.00 0.00 55.06 54.06 2joq s HIS 3 Cb -0.04 -2.64 -0.07 0.00 0.04 0.00 0.00 32.58 29.87 2joq s HIS 3 CO 0.11 -0.21 0.86 -1.64 -2.34 0.00 0.00 174.74 171.52 2joq s MET 4 N 2.03 3.85 -0.74 2.88 -1.94 -1.26 -4.93 119.30 119.19 2joq s MET 4 Ca 0.19 0.68 -0.25 0.00 -1.71 0.00 0.00 55.69 54.60 2joq s MET 4 Cb -0.16 -2.28 -0.16 0.00 2.01 0.00 0.00 34.83 34.25 2joq s MET 4 CO 0.09 -0.13 2.45 -2.30 -0.01 0.00 0.00 175.02 175.12 2joq n PRO 5 N -1.41 0.56 -0.11 2.03 -0.02 -1.26 -4.74 135.00 130.05 2joq n PRO 5 Ca 0.04 -0.20 -0.24 0.00 -2.02 0.00 0.00 63.50 61.08 2joq n PRO 5 Cb 0.54 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 31.16 2joq n PRO 5 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2joq n SER 6 N 14.03 1.93 -4.65 2.55 3.41 -1.26 -4.96 113.62 124.67 2joq n SER 6 Ca 0.50 0.32 -0.32 0.00 -0.26 0.00 0.00 58.87 59.11 2joq n SER 6 Cb 0.35 -0.86 -0.09 0.00 -0.26 0.00 0.00 64.21 63.35 2joq n SER 6 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2joq s ASP 7 N -7.09 4.91 0.32 4.04 -4.77 -1.26 -5.12 116.67 107.71 2joq s ASP 7 Ca -0.32 -0.08 -0.13 0.00 -3.30 0.00 0.00 52.55 48.71 2joq s ASP 7 Cb 0.09 -1.22 -0.08 0.00 -1.09 0.00 0.00 42.92 40.63 2joq s ASP 7 CO 0.58 0.27 0.70 -0.44 0.70 0.00 0.00 175.17 176.97 2joq s SER 8 N -1.60 6.69 0.26 2.11 0.01 -1.26 -5.08 113.70 114.83 2joq s SER 8 Ca 0.19 1.16 -0.12 0.00 1.31 0.00 0.00 55.95 58.50 2joq s SER 8 Cb -0.11 -2.33 -0.08 0.00 0.21 0.00 0.00 66.02 63.71 2joq s SER 8 CO 0.10 -0.21 0.62 -0.54 0.41 0.00 0.00 173.24 173.63 2joq s LYS 9 N -3.11 3.90 0.36 12.44 -0.14 -1.26 -4.94 119.74 126.99 2joq s LYS 9 Ca 0.52 0.45 0.00 0.00 -1.36 0.00 0.00 55.97 55.58 2joq s LYS 9 Cb -0.10 -2.58 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 2joq s LYS 9 CO 0.21 0.26 0.00 1.63 -0.76 0.00 0.00 175.35 176.69 2joq n LYS 10 N -0.16 -2.51 -2.46 1.68 4.01 -1.26 -4.89 118.16 112.57 2joq n LYS 10 Ca 0.01 1.95 -0.40 0.00 -0.51 0.00 0.00 58.31 59.36 2joq n LYS 10 Cb 0.53 -2.45 -0.04 0.00 -0.51 0.00 0.00 35.03 32.56 2joq n LYS 10 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2joq s PRO 11 N -4.84 4.53 -0.43 1.97 0.04 -1.26 -5.00 135.00 130.00 2joq s PRO 11 Ca 0.00 1.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.57 2joq s PRO 11 Cb 0.00 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 31.50 2joq s PRO 11 CO 0.00 0.11 0.92 0.99 0.04 0.00 0.00 177.00 179.06 2joq s THR 12 N -1.24 4.52 0.23 1.26 2.01 -1.26 -5.03 115.64 116.13 2joq s THR 12 Ca 0.47 0.87 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 2joq s THR 12 Cb -0.31 -4.39 -0.09 0.00 0.01 0.00 0.00 72.50 67.72 2joq s THR 12 CO 0.40 -0.73 0.86 -0.63 -0.69 0.00 0.00 174.62 173.83 2joq s ILE 13 N 3.64 4.26 -0.11 1.82 -1.09 -1.26 -5.02 121.20 123.44 2joq s ILE 13 Ca 0.37 1.81 -0.27 0.00 -2.23 0.00 0.00 60.65 60.33 2joq s ILE 13 Cb -0.11 -4.14 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 2joq s ILE 13 CO 0.24 0.39 0.89 -0.63 -1.23 0.00 0.00 174.94 174.60 2joq s ILE 14 N -1.31 4.88 -0.02 2.92 -1.09 -1.26 -5.05 121.20 120.27 2joq s ILE 14 Ca 0.41 1.80 0.01 0.00 -2.23 0.00 0.00 60.65 60.64 2joq s ILE 14 Cb -0.22 -4.21 0.02 0.00 -1.58 0.00 0.00 42.46 36.47 2joq s ILE 14 CO 0.27 0.08 -0.01 -0.31 -1.23 0.00 0.00 174.94 173.74 2joq s TYR 15 N 1.71 0.30 0.36 3.97 2.02 -1.26 -3.74 117.35 120.71 2joq s TYR 15 Ca 0.43 -0.02 -0.24 0.00 -0.37 0.00 0.00 57.07 56.87 2joq s TYR 15 Cb -0.18 -0.33 -0.10 0.00 -0.40 0.00 0.00 41.96 40.95 2joq s TYR 15 CO 0.17 -0.09 0.95 -2.14 -1.57 0.00 0.00 175.55 172.88 2joq s PRO 16 N 0.63 4.44 0.32 -1.71 0.02 -1.26 -5.03 135.00 132.42 2joq s PRO 16 Ca -0.06 1.27 -0.18 0.00 0.02 0.00 0.00 61.00 62.04 2joq s PRO 16 Cb -0.09 -2.58 0.03 0.00 0.02 0.00 0.00 34.50 31.88 2joq s PRO 16 CO -0.01 0.15 0.73 0.00 -0.33 0.00 0.00 177.00 177.55 2joq s LEU 18 N -2.99 4.19 -0.06 0.00 1.43 -1.26 -0.46 118.68 119.52 2joq s LEU 18 Ca 0.14 1.35 -0.01 0.00 -1.03 0.00 0.00 54.13 54.58 2joq s LEU 18 Cb -0.05 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.71 2joq s LEU 18 CO 0.09 -0.47 0.01 0.86 0.23 0.00 0.00 176.35 177.07 2joq s TRP 19 N 2.32 3.16 -0.28 0.29 -0.11 0.23 -4.92 118.94 119.62 2joq s TRP 19 Ca 0.43 0.17 -0.10 0.00 1.22 0.00 0.00 56.10 57.83 2joq s TRP 19 Cb -0.17 -1.75 -0.03 0.00 -1.50 0.00 0.00 33.47 30.01 2joq s TRP 19 CO 0.13 0.48 0.15 0.34 -4.62 0.00 0.00 176.95 173.43 2joq s ASP 20 N -1.15 5.65 -0.19 5.86 2.15 -1.26 -2.12 116.67 125.61 2joq s ASP 20 Ca 0.16 -0.18 -0.04 0.00 0.43 0.00 0.00 52.55 52.92 2joq s ASP 20 Cb -0.11 -2.04 -0.02 0.00 -0.30 0.00 0.00 42.92 40.45 2joq s ASP 20 CO 0.06 -0.08 -0.04 -0.31 -0.17 0.00 0.00 175.17 174.62 2joq s TYR 21 N 1.69 2.96 -0.37 -5.34 2.02 0.11 -4.78 117.35 113.64 2joq s TYR 21 Ca 0.06 -0.65 -0.15 0.00 -0.37 0.00 0.00 57.07 55.96 2joq s TYR 21 Cb -0.16 -2.03 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 2joq s TYR 21 CO 0.08 -0.33 0.34 0.50 -1.57 0.00 0.00 175.55 174.58 2joq s ARG 22 N 0.98 3.32 -0.25 -0.62 6.06 -0.38 -1.29 118.95 126.77 2joq s ARG 22 Ca 0.00 -0.66 -0.04 0.00 -2.50 0.00 0.00 55.73 52.53 2joq s ARG 22 Cb -0.15 -3.88 0.01 0.00 0.06 0.00 0.00 34.95 30.99 2joq s ARG 22 CO 0.01 -0.63 -0.00 0.08 -2.50 0.00 0.00 175.30 172.25 2joq s VAL 23 N 1.92 3.45 -0.29 7.11 1.01 -0.45 -1.37 120.40 131.79 2joq s VAL 23 Ca 0.09 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.29 2joq s VAL 23 Cb -0.17 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 2joq s VAL 23 CO 0.12 0.24 0.09 -0.63 0.00 0.00 0.00 175.10 174.91 2joq s ILE 24 N 1.44 4.19 0.35 2.22 1.01 -0.67 -0.24 121.20 129.51 2joq s ILE 24 Ca 0.03 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.27 2joq s ILE 24 Cb -0.16 -3.10 -0.07 0.00 0.01 0.00 0.00 42.46 39.14 2joq s ILE 24 CO -0.01 0.15 -0.05 -0.04 0.00 0.00 0.00 174.94 174.99 2joq s MET 25 N 1.56 1.82 -0.14 2.79 -1.94 -0.24 -0.76 119.30 122.38 2joq s MET 25 Ca 0.04 -1.97 0.16 0.00 -1.71 0.00 0.00 55.69 52.21 2joq s MET 25 Cb -0.17 -1.55 0.72 0.00 2.01 0.00 0.00 34.83 35.84 2joq s MET 25 CO 0.03 0.04 1.62 0.25 -0.01 0.00 0.00 175.02 176.96 2joq n THR 26 N -0.81 2.01 -4.17 2.05 -2.24 -0.13 -0.29 114.28 110.70 2joq n THR 26 Ca -0.05 -1.18 -0.11 0.00 -2.27 0.00 0.00 64.05 60.44 2joq n THR 26 Cb 0.65 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.76 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 -2.09 0.73 -0.63 4.28 -1.32 -1.26 -4.90 115.64 110.45 2joq s THR 27 Ca 0.50 -1.87 0.24 0.00 -1.21 0.00 0.00 61.69 59.35 2joq s THR 27 Cb 0.34 -1.60 -0.02 0.00 -1.51 0.00 0.00 72.50 69.71 2joq s THR 27 CO 0.21 -0.81 1.20 0.29 -2.21 0.00 0.00 174.62 173.30 2joq n LYS 28 N 0.09 0.29 -2.46 7.08 5.02 -1.26 -4.75 118.16 122.17 2joq n LYS 28 Ca -0.13 0.05 -0.39 0.00 -2.02 0.00 0.00 58.31 55.82 2joq n LYS 28 Cb 0.60 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 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 -4.08 6.33 -0.63 4.39 2.15 -1.26 -4.91 116.67 118.66 2joq s ASP 29 Ca 0.05 -1.77 -0.20 0.00 0.43 0.00 0.00 52.55 51.05 2joq s ASP 29 Cb 0.14 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 40.27 2joq s ASP 29 CO 0.75 -1.68 0.83 0.28 -0.17 0.00 0.00 175.17 175.18 2joq s THR 30 N 5.90 4.61 0.10 1.71 -1.32 -1.26 -4.74 115.64 120.63 2joq s THR 30 Ca 0.54 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 60.28 2joq s THR 30 Cb 0.01 -4.58 0.00 0.00 -1.51 0.00 0.00 72.50 66.42 2joq s THR 30 CO 0.00 -1.28 0.00 -1.20 -2.21 0.00 0.00 174.62 169.93 2joq n SER 31 N 6.92 0.33 -0.32 8.08 7.64 -1.26 -4.74 113.62 130.27 2joq n SER 31 Ca -0.06 0.16 0.21 0.00 1.01 0.00 0.00 58.87 60.19 2joq n SER 31 Cb 0.44 -0.01 0.49 0.00 -1.01 0.00 0.00 64.21 64.11 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2joq h THR 32 N 0.00 0.56 -0.78 0.44 2.02 -1.96 0.15 112.91 113.34 2joq h THR 32 Ca 0.00 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.05 2joq h THR 32 Cb 0.00 0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.45 2joq h THR 32 CO 0.00 0.08 0.51 0.25 0.37 0.00 0.00 175.52 176.73 2joq h LEU 33 N 0.44 0.87 -0.29 2.58 5.85 -1.92 -2.48 115.31 120.35 2joq h LEU 33 Ca 0.58 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 59.08 2joq h LEU 33 Cb 1.40 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 2joq h LEU 33 CO -0.30 0.62 -0.85 0.11 -0.34 0.00 0.00 178.44 177.68 2joq h LYS 34 N 1.03 0.31 -0.11 1.25 1.57 -1.03 -3.23 116.57 116.35 2joq h LYS 34 Ca 0.29 -0.31 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2joq h LYS 34 Cb -0.08 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2joq h LYS 34 CO -0.08 1.00 -0.11 0.93 -0.57 0.00 0.00 179.45 180.62 2joq h GLU 35 N 0.19 -0.13 -0.09 3.15 4.39 -0.86 0.02 114.58 121.25 2joq h GLU 35 Ca -0.05 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2joq h GLU 35 Cb 1.47 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.14 2joq h GLU 35 CO 0.14 -0.08 -0.06 1.37 -1.16 0.00 0.00 179.01 179.22 2joq h LEU 36 N -0.13 0.12 -0.29 1.33 8.10 -1.56 -1.70 115.31 121.18 2joq h LEU 36 Ca 0.08 -0.01 -0.12 0.00 0.11 0.00 0.00 57.88 57.94 2joq h LEU 36 Cb 0.24 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.43 2joq h LEU 36 CO -0.19 0.20 -0.28 -0.07 -4.11 0.00 0.00 178.44 173.99 2joq h LEU 37 N 0.13 0.75 -1.05 0.17 3.38 -1.30 -3.21 115.31 114.18 2joq h LEU 37 Ca 0.03 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.49 2joq h LEU 37 Cb 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2joq h LEU 37 CO 0.01 1.06 -0.20 -0.33 0.09 0.00 0.00 178.44 179.07 2joq h GLU 38 N 0.44 0.00 0.00 1.13 5.08 -0.18 -2.81 114.58 118.24 2joq h GLU 38 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2joq h GLU 38 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2joq h GLU 38 CO 0.07 0.20 -0.03 1.79 -1.00 0.00 0.00 179.01 180.04 2joq h THR 39 N 0.00 0.15 -0.00 1.13 1.35 -1.36 0.13 112.91 114.31 2joq h THR 39 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2joq h THR 39 Cb 0.76 1.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 2joq h THR 39 CO 0.03 0.03 -0.18 -1.22 -0.25 0.00 0.00 175.52 173.92 2joq n TYR 40 N -3.24 0.00 -2.75 4.73 4.01 -1.06 -4.93 117.16 113.92 2joq n TYR 40 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 2joq n TYR 40 Cb 0.18 -0.36 0.02 0.00 -0.31 0.00 0.00 39.34 38.87 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 -1.41 -3.51 -4.34 -0.72 1.13 0.45 -5.00 117.38 103.98 2joq n GLN 41 Ca 0.08 0.93 -0.23 0.00 -1.94 0.00 0.00 57.00 55.84 2joq n GLN 41 Cb 0.33 -5.68 -0.12 0.00 0.11 0.00 0.00 30.24 24.88 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 -5.41 1.29 0.66 -1.09 1.70 -1.26 -5.11 118.95 109.73 2joq s ARG 42 Ca 0.18 -1.38 -0.15 0.00 -0.47 0.00 0.00 55.73 53.91 2joq s ARG 42 Cb -0.08 -1.45 -0.00 0.00 -0.57 0.00 0.00 34.95 32.85 2joq s ARG 42 CO 0.22 0.31 1.12 -1.25 -1.08 0.00 0.00 175.30 174.62 2joq s PRO 43 N -2.57 2.76 0.10 3.89 0.04 -1.26 -4.72 135.00 133.25 2joq s PRO 43 Ca 0.15 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 2joq s PRO 43 Cb -0.07 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.54 2joq s PRO 43 CO 0.07 -1.29 0.25 -0.59 0.04 0.00 0.00 177.00 175.48 2joq s PHE 44 N -2.25 0.07 -0.27 0.56 -0.12 -1.26 -3.92 117.98 110.78 2joq s PHE 44 Ca 0.68 -0.47 0.00 0.00 -0.05 0.00 0.00 56.93 57.10 2joq s PHE 44 Cb -0.22 0.03 0.05 0.00 -0.63 0.00 0.00 43.02 42.25 2joq s PHE 44 CO 0.41 -0.59 -0.06 0.21 -0.05 0.00 0.00 175.22 175.13 2joq s LYS 45 N -3.85 2.40 -0.10 1.99 2.36 0.68 -4.97 119.74 118.25 2joq s LYS 45 Ca 0.05 -1.26 -0.14 0.00 -2.55 0.00 0.00 55.97 52.07 2joq s LYS 45 Cb 0.04 -3.02 -0.05 0.00 -1.05 0.00 0.00 37.83 33.76 2joq s LYS 45 CO -0.11 -0.57 0.33 -1.17 1.55 0.00 0.00 175.35 175.38 2joq s LEU 46 N 1.19 4.34 0.06 5.43 2.96 -1.26 -1.70 118.68 129.70 2joq s LEU 46 Ca -0.06 0.68 -0.11 0.00 -0.22 0.00 0.00 54.13 54.42 2joq s LEU 46 Cb -0.19 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.07 2joq s LEU 46 CO -0.03 0.20 0.23 -0.70 -1.32 0.00 0.00 176.35 174.73 2joq s GLU 47 N -0.19 0.78 -0.11 1.98 -6.30 0.31 -5.00 118.70 110.17 2joq s GLU 47 Ca 0.20 -0.69 -0.02 0.00 -2.50 0.00 0.00 54.97 51.96 2joq s GLU 47 Cb -0.14 0.33 -0.03 0.00 0.00 0.00 0.00 34.13 34.28 2joq s GLU 47 CO 0.08 -0.24 -0.04 0.12 0.02 0.00 0.00 175.26 175.19 2joq s PHE 48 N -2.95 3.02 0.00 5.30 5.36 -1.26 -0.02 117.98 127.43 2joq s PHE 48 Ca -0.02 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 2joq s PHE 48 Cb 0.01 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 2joq s PHE 48 CO -0.06 0.21 0.00 1.63 -1.46 0.00 0.00 175.22 175.54 2joq n LYS 49 N 2.74 0.00 -4.04 10.12 4.76 -0.07 -4.87 118.16 126.81 2joq n LYS 49 Ca -0.18 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.16 2joq n LYS 49 Cb 0.53 -0.26 -0.08 0.00 -1.84 0.00 0.00 35.03 33.39 2joq n LYS 49 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2joq s ASN 50 N -3.06 0.06 0.04 4.39 -0.87 -1.21 -5.02 114.94 109.27 2joq s ASN 50 Ca 0.00 -1.02 0.04 0.00 -1.57 0.00 0.00 52.86 50.31 2joq s ASN 50 Cb 0.00 0.44 -0.02 0.00 -0.02 0.00 0.00 41.25 41.65 2joq s ASN 50 CO 0.00 -0.92 -0.13 0.28 -2.57 0.00 0.00 177.10 173.76 2joq s THR 51 N -4.03 1.00 1.02 1.60 -1.32 -1.26 -0.80 115.64 111.86 2joq s THR 51 Ca 0.24 -1.03 -0.12 0.00 -1.21 0.00 0.00 61.69 59.57 2joq s THR 51 Cb 0.04 -0.93 0.20 0.00 -1.51 0.00 0.00 72.50 70.30 2joq s THR 51 CO 0.05 -0.09 1.08 -0.55 -2.21 0.00 0.00 174.62 172.90 2joq s SER 52 N -1.27 2.14 0.26 8.08 0.15 -0.50 -4.83 113.70 117.74 2joq s SER 52 Ca -0.01 1.76 -0.03 0.00 0.70 0.00 0.00 55.95 58.38 2joq s SER 52 Cb -0.08 -2.38 0.41 0.00 -1.71 0.00 0.00 66.02 62.25 2joq s SER 52 CO 0.01 -3.52 1.87 0.11 1.20 0.00 0.00 173.24 172.92 2joq h LYS 53 N -2.15 1.09 -0.42 5.44 1.79 -2.01 0.21 116.57 120.51 2joq h LYS 53 Ca -0.53 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 2joq h LYS 53 Cb 1.30 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2joq h LYS 53 CO 0.48 0.72 0.00 0.09 -1.08 0.00 0.00 179.45 179.66 2joq n ASN 54 N -4.54 2.31 -2.08 0.86 4.13 -1.26 -4.90 115.26 109.78 2joq n ASN 54 Ca 0.15 -1.98 -0.19 0.00 1.68 0.00 0.00 54.58 54.24 2joq n ASN 54 Cb 0.20 -0.28 -0.04 0.00 -1.54 0.00 0.00 39.78 38.12 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2joq n ALA 55 N 0.76 -0.52 0.08 5.41 0.00 0.74 -4.85 120.51 122.13 2joq n ALA 55 Ca 0.15 0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 2joq n ALA 55 Cb 0.37 -1.97 -0.08 0.00 0.00 0.00 0.00 19.45 17.76 2joq n ALA 55 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2joq h LYS 56 N 0.00 0.00 -6.22 0.00 1.63 -1.91 -3.45 116.57 106.61 2joq h LYS 56 Ca -0.42 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 58.72 2joq h LYS 56 Cb 1.29 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 32.62 2joq h LYS 56 CO 0.54 0.85 -0.87 -0.06 -3.45 0.00 0.00 179.45 176.46 2joq s PHE 57 N -2.77 2.15 -0.14 1.91 0.08 -1.26 -4.51 117.98 113.44 2joq s PHE 57 Ca 0.01 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.61 2joq s PHE 57 Cb 0.09 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 41.17 2joq s PHE 57 CO 0.80 -0.08 -0.16 0.71 -0.10 0.00 0.00 175.22 176.39 2joq s TYR 58 N -0.45 2.27 -0.35 0.36 1.51 0.60 -1.41 117.35 119.88 2joq s TYR 58 Ca 0.06 -1.22 -0.15 0.00 -1.01 0.00 0.00 57.07 54.75 2joq s TYR 58 Cb -0.10 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.12 2joq s TYR 58 CO 0.00 -0.63 0.34 -1.12 -1.11 0.00 0.00 175.55 173.03 2joq s SER 59 N 1.24 6.15 -0.01 2.29 0.01 0.02 -1.07 113.70 122.33 2joq s SER 59 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2joq s SER 59 Cb -0.14 -2.19 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2joq s SER 59 CO -0.07 -0.34 0.06 -0.36 0.41 0.00 0.00 173.24 172.93 2joq s PHE 60 N 1.95 3.23 -0.22 2.43 0.08 0.67 -0.89 117.98 125.22 2joq s PHE 60 Ca 0.10 0.17 -0.06 0.00 0.12 0.00 0.00 56.93 57.26 2joq s PHE 60 Cb -0.17 -1.72 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 2joq s PHE 60 CO 0.11 0.53 0.04 1.21 -0.10 0.00 0.00 175.22 177.01 2joq s ASN 61 N -1.66 5.03 -0.15 1.36 2.47 0.97 -1.34 114.94 121.62 2joq s ASN 61 Ca 0.22 -0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.31 2joq s ASN 61 Cb -0.12 -1.88 0.02 0.00 -1.45 0.00 0.00 41.25 37.82 2joq s ASN 61 CO 0.13 0.02 -0.14 -0.69 -3.72 0.00 0.00 177.10 172.70 2joq s VAL 62 N 1.29 1.54 -0.18 -5.21 1.01 -0.41 -0.53 120.40 117.90 2joq s VAL 62 Ca 0.04 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.41 2joq s VAL 62 Cb -0.15 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2joq s VAL 62 CO 0.02 0.44 -0.19 -0.94 0.00 0.00 0.00 175.10 174.44 2joq s SER 63 N 1.50 3.13 0.12 3.32 1.04 -0.69 0.06 113.70 122.17 2joq s SER 63 Ca 0.05 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2joq s SER 63 Cb -0.13 -1.43 -0.04 0.00 0.10 0.00 0.00 66.02 64.51 2joq s SER 63 CO -0.10 -0.02 -0.00 0.00 0.98 0.00 0.00 173.24 174.09 2joq s MET 64 N 1.31 0.88 0.37 4.02 0.23 -0.90 -0.23 119.30 124.98 2joq s MET 64 Ca 0.04 -1.39 -0.26 0.00 -1.03 0.00 0.00 55.69 53.05 2joq s MET 64 Cb -0.13 0.01 -0.09 0.00 -1.53 0.00 0.00 34.83 33.08 2joq s MET 64 CO -0.12 -0.14 1.12 -1.21 -2.03 0.00 0.00 175.02 172.64 2joq s GLU 65 N -3.94 4.25 -0.05 3.16 2.02 -1.25 -0.60 118.70 122.28 2joq s GLU 65 Ca 0.17 1.75 0.01 0.00 0.02 0.00 0.00 54.97 56.92 2joq s GLU 65 Cb 0.07 -2.78 0.02 0.00 0.10 0.00 0.00 34.13 31.54 2joq s GLU 65 CO -0.02 -0.13 -0.04 0.14 0.02 0.00 0.00 175.26 175.23 2joq s VAL 66 N -1.41 0.57 -0.04 2.63 -7.23 0.39 -4.85 120.40 110.45 2joq s VAL 66 Ca 0.54 -0.12 0.13 0.00 -1.81 0.00 0.00 61.98 60.72 2joq s VAL 66 Cb -0.29 -0.60 -0.14 0.00 0.56 0.00 0.00 36.38 35.90 2joq s VAL 66 CO 0.36 0.24 1.01 -1.28 -0.31 0.00 0.00 175.10 175.13 2joq h SER 67 N 7.34 0.00 -3.64 4.85 0.87 -1.95 -1.87 113.55 119.16 2joq h SER 67 Ca -0.35 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.02 2joq h SER 67 Cb 1.15 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.07 2joq h SER 67 CO 0.44 0.79 -0.00 -0.46 -0.53 0.00 0.00 176.83 177.07 2joq n ASN 68 N -3.11 -1.68 0.13 6.23 0.23 -1.26 -4.19 115.26 111.60 2joq n ASN 68 Ca -0.07 -2.79 -0.01 0.00 -0.53 0.00 0.00 54.58 51.18 2joq n ASN 68 Cb 0.91 2.98 0.12 0.00 -2.08 0.00 0.00 39.78 41.71 2joq n ASN 68 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2joq h GLU 69 N 0.00 0.00 -0.99 -3.83 4.81 -2.00 -3.15 114.58 109.41 2joq h GLU 69 Ca -0.29 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 2joq h GLU 69 Cb 1.20 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.53 2joq h GLU 69 CO 0.39 0.64 0.65 1.03 -0.73 0.00 0.00 179.01 180.99 2joq h SER 70 N 0.00 1.11 0.81 1.04 0.87 -2.00 -1.31 113.55 114.06 2joq h SER 70 Ca -0.01 -0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 2joq h SER 70 Cb 1.25 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 2joq h SER 70 CO 0.08 0.78 -0.46 -0.33 -0.53 0.00 0.00 176.83 176.37 2joq h GLU 71 N 1.29 0.00 -0.59 2.24 5.08 -1.97 -0.64 114.58 119.99 2joq h GLU 71 Ca 0.38 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.81 2joq h GLU 71 Cb -0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 2joq h GLU 71 CO -0.11 0.46 0.29 -0.09 -1.00 0.00 0.00 179.01 178.57 2joq h ARG 72 N 0.00 0.53 0.11 2.33 2.43 -1.25 0.45 114.38 118.98 2joq h ARG 72 Ca -0.00 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.84 2joq h ARG 72 Cb 0.99 -0.12 0.02 0.00 -0.42 0.00 0.00 29.97 30.44 2joq h ARG 72 CO 0.06 0.35 -1.22 -0.91 -1.51 0.00 0.00 179.97 176.74 2joq h ASN 73 N 0.54 0.78 0.56 -3.80 2.35 -1.32 -2.98 115.58 111.71 2joq h ASN 73 Ca 0.27 -0.73 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 2joq h ASN 73 Cb 0.22 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 2joq h ASN 73 CO -0.21 1.54 -0.45 -0.08 -1.65 0.00 0.00 177.43 176.59 2joq h GLU 74 N 0.24 -0.95 -0.44 0.81 4.57 -0.70 -1.40 114.58 116.72 2joq h GLU 74 Ca -0.17 0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2joq h GLU 74 Cb 1.89 0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 30.68 2joq h GLU 74 CO 0.23 -0.63 0.11 0.82 -1.18 0.00 0.00 179.01 178.35 2joq h ILE 75 N -0.98 1.19 -0.52 2.32 2.04 -1.06 -1.41 117.51 119.09 2joq h ILE 75 Ca -0.07 -0.69 0.06 0.00 1.00 0.00 0.00 64.86 65.17 2joq h ILE 75 Cb 0.83 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2joq h ILE 75 CO 0.00 0.25 0.22 0.15 0.00 0.00 0.00 178.15 178.78 2joq h PHE 76 N 0.64 0.40 -0.51 1.37 3.57 -1.33 -0.04 116.94 121.03 2joq h PHE 76 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2joq h PHE 76 Cb 0.24 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2joq h PHE 76 CO 0.01 0.16 0.19 1.96 -2.23 0.00 0.00 178.31 178.40 2joq h GLN 77 N 0.43 0.78 -0.65 1.11 4.20 -0.30 -2.73 115.11 117.96 2joq h GLN 77 Ca 0.24 -0.15 0.08 0.00 0.06 0.00 0.00 58.65 58.88 2joq h GLN 77 Cb 0.23 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 2joq h GLN 77 CO -0.22 0.70 0.32 0.87 -0.67 0.00 0.00 178.83 179.83 2joq h LYS 78 N 0.69 0.55 0.00 1.46 1.79 -0.58 -2.10 116.57 118.39 2joq h LYS 78 Ca 0.17 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 2joq h LYS 78 Cb 0.22 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2joq h LYS 78 CO -0.01 0.37 -0.12 0.82 -1.08 0.00 0.00 179.45 179.42 2joq h ILE 79 N 0.57 1.02 -0.07 1.86 2.04 -0.72 -1.30 117.51 120.91 2joq h ILE 79 Ca 0.31 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2joq h ILE 79 Cb 0.28 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 2joq h ILE 79 CO -0.23 0.12 0.00 -1.54 0.00 0.00 0.00 178.15 176.50 2joq n SER 80 N -4.30 0.88 -1.62 1.72 3.41 -0.79 -3.55 113.62 109.37 2joq n SER 80 Ca -0.03 -1.50 0.09 0.00 -0.26 0.00 0.00 58.87 57.18 2joq n SER 80 Cb 0.20 -0.04 0.37 0.00 -0.26 0.00 0.00 64.21 64.47 2joq n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2joq n GLN 81 N -0.23 3.81 0.14 4.33 6.02 -0.49 -4.37 117.38 126.59 2joq n GLN 81 Ca 0.17 -2.92 0.06 0.00 -0.01 0.00 0.00 57.00 54.29 2joq n GLN 81 Cb 0.22 -1.92 0.05 0.00 1.02 0.00 0.00 30.24 29.61 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 4.14 0.00 0.00 1.08 3.38 -1.72 -3.47 115.31 118.72 2joq h LEU 82 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2joq h LEU 82 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2joq h LEU 82 CO 0.25 0.30 0.00 -0.67 0.09 0.00 0.00 178.44 178.41 2joq n ASP 83 N -3.07 0.00 0.29 -0.43 2.03 -1.26 -4.49 116.55 109.61 2joq n ASP 83 Ca 0.01 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.47 2joq n ASP 83 Cb 0.67 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.92 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 -6.79 -0.67 1.57 -1.96 -3.44 116.57 105.29 2joq h LYS 84 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2joq h LYS 84 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2joq h LYS 84 CO 0.00 0.06 0.37 0.54 -0.57 0.00 0.00 179.45 179.85 2joq s VAL 85 N -4.29 4.00 -0.01 0.50 0.11 -1.26 -0.96 120.40 118.49 2joq s VAL 85 Ca -0.04 1.93 0.02 0.00 -2.93 0.00 0.00 61.98 60.96 2joq s VAL 85 Cb 0.13 -4.20 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 2joq s VAL 85 CO 0.55 0.40 0.03 1.33 -3.33 0.00 0.00 175.10 174.08 2joq n VAL 86 N 1.23 0.03 -3.78 2.04 0.24 0.06 -4.93 118.33 113.22 2joq n VAL 86 Ca -0.01 -0.05 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 2joq n VAL 86 Cb 0.47 0.10 -0.15 0.00 -1.47 0.00 0.00 33.84 32.80 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 -2.12 0.04 -0.23 7.34 2.00 -1.08 -5.05 119.66 120.57 2joq s GLN 87 Ca -0.01 0.24 0.00 0.00 -2.00 0.00 0.00 55.36 53.60 2joq s GLN 87 Cb 0.01 -0.15 0.06 0.00 0.80 0.00 0.00 33.01 33.73 2joq s GLN 87 CO 0.08 -0.13 -0.04 0.95 -0.50 0.00 0.00 175.29 175.65 2joq s THR 88 N 0.88 1.39 -0.43 -0.34 -4.23 -1.26 -1.67 115.64 109.98 2joq s THR 88 Ca -0.07 -1.12 -0.10 0.00 -1.18 0.00 0.00 61.69 59.21 2joq s THR 88 Cb -0.10 -1.69 0.08 0.00 1.34 0.00 0.00 72.50 72.13 2joq s THR 88 CO -0.04 -0.11 0.28 -0.76 -0.54 0.00 0.00 174.62 173.45 2joq s LEU 89 N 1.46 5.21 0.00 4.79 2.01 -0.47 -4.89 118.68 126.79 2joq s LEU 89 Ca -0.05 -1.45 0.06 0.00 0.01 0.00 0.00 54.13 52.70 2joq s LEU 89 Cb -0.19 -2.02 0.05 0.00 0.01 0.00 0.00 46.19 44.04 2joq s LEU 89 CO -0.06 -0.55 0.69 0.61 1.01 0.00 0.00 176.35 178.04 2joq n GLY 90 N 4.97 -0.83 0.00 -3.19 0.00 -1.26 -1.25 105.19 103.63 2joq n GLY 90 Ca -0.10 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2joq n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06