#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joq s GLY 2 N 0.00 -0.16 0.05 2.61 0.00 -1.26 -5.17 107.32 103.38 2joq s GLY 2 Ca 0.00 2.91 0.00 0.00 0.00 0.00 0.00 44.72 47.63 2joq s GLY 2 CO 0.00 2.43 -0.05 -2.38 0.00 0.00 0.00 173.10 173.10 2joq s HIS 3 N 1.22 0.54 0.16 1.90 -3.43 -1.26 -5.17 115.29 109.25 2joq s HIS 3 Ca -0.07 -0.77 0.08 0.00 -0.80 0.00 0.00 55.06 53.49 2joq s HIS 3 Cb -0.04 -0.36 -0.04 0.00 -1.43 0.00 0.00 32.58 30.71 2joq s HIS 3 CO -0.14 -0.22 -0.17 -1.64 -2.00 0.00 0.00 174.74 170.56 2joq s MET 4 N -2.74 1.23 -0.70 -0.38 -1.94 -1.26 -5.06 119.30 108.45 2joq s MET 4 Ca -0.02 -1.38 -0.27 0.00 -1.71 0.00 0.00 55.69 52.31 2joq s MET 4 Cb -0.01 -1.25 -0.14 0.00 2.01 0.00 0.00 34.83 35.45 2joq s MET 4 CO -0.04 0.25 2.50 -2.30 -0.01 0.00 0.00 175.02 175.42 2joq n PRO 5 N 0.31 0.62 0.28 2.03 -0.02 -1.26 -4.78 135.00 132.19 2joq n PRO 5 Ca -0.13 -0.06 0.15 0.00 -2.02 0.00 0.00 63.50 61.44 2joq n PRO 5 Cb 0.57 -2.72 0.81 0.00 -0.02 0.00 0.00 33.50 32.14 2joq n PRO 5 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2joq h SER 6 N 16.35 0.00 -6.12 2.55 4.64 -2.06 -3.44 113.55 125.47 2joq h SER 6 Ca -0.15 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.69 2joq h SER 6 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2joq h SER 6 CO 1.25 0.08 -0.14 -0.90 -0.87 0.00 0.00 176.83 176.25 2joq n ASP 7 N -3.49 2.21 -4.74 4.97 5.75 -1.26 -5.07 116.55 114.92 2joq n ASP 7 Ca -0.02 -2.55 -0.41 0.00 -0.01 0.00 0.00 54.79 51.80 2joq n ASP 7 Cb 0.21 -0.26 -0.02 0.00 -1.03 0.00 0.00 41.12 40.02 2joq n ASP 7 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2joq s SER 8 N -4.20 6.67 -0.09 -1.12 0.15 -1.26 -5.00 113.70 108.84 2joq s SER 8 Ca 0.46 2.63 -0.14 0.00 0.70 0.00 0.00 55.95 59.60 2joq s SER 8 Cb -0.04 -2.62 -0.05 0.00 -1.71 0.00 0.00 66.02 61.61 2joq s SER 8 CO 0.29 -0.70 0.35 -0.75 1.20 0.00 0.00 173.24 173.63 2joq s LYS 9 N -0.16 4.05 0.22 5.44 2.20 -1.26 -5.05 119.74 125.19 2joq s LYS 9 Ca 0.60 0.25 -0.32 0.00 -0.36 0.00 0.00 55.97 56.15 2joq s LYS 9 Cb -0.42 -3.32 -0.12 0.00 -1.51 0.00 0.00 37.83 32.46 2joq s LYS 9 CO 0.41 0.46 1.70 1.63 -0.36 0.00 0.00 175.35 179.19 2joq n LYS 10 N 2.75 2.77 -1.68 4.03 5.02 -1.26 -4.89 118.16 124.90 2joq n LYS 10 Ca -0.13 1.00 -0.46 0.00 -2.02 0.00 0.00 58.31 56.69 2joq n LYS 10 Cb 0.52 -2.83 -0.04 0.00 -0.02 0.00 0.00 35.03 32.66 2joq n LYS 10 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2joq n PRO 11 N 3.66 2.24 -2.39 1.97 -0.02 -1.26 -4.91 135.00 134.29 2joq n PRO 11 Ca 0.15 0.82 -0.43 0.00 -2.02 0.00 0.00 63.50 62.01 2joq n PRO 11 Cb 0.35 -2.63 -0.02 0.00 -0.02 0.00 0.00 33.50 31.18 2joq n PRO 11 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2joq s THR 12 N 2.35 3.98 -0.43 3.45 2.01 -1.26 -4.99 115.64 120.76 2joq s THR 12 Ca 0.84 1.03 -0.19 0.00 0.31 0.00 0.00 61.69 63.68 2joq s THR 12 Cb -0.66 -4.24 0.02 0.00 0.01 0.00 0.00 72.50 67.64 2joq s THR 12 CO 0.43 -0.73 0.55 -0.63 -0.69 0.00 0.00 174.62 173.55 2joq s ILE 13 N 5.11 4.95 -0.06 1.82 -1.09 -1.26 -5.05 121.20 125.62 2joq s ILE 13 Ca 0.59 -0.08 -0.19 0.00 -2.23 0.00 0.00 60.65 58.73 2joq s ILE 13 Cb -0.14 -4.13 -0.05 0.00 -1.58 0.00 0.00 42.46 36.57 2joq s ILE 13 CO 0.31 -0.51 0.53 -0.63 -1.23 0.00 0.00 174.94 173.41 2joq s ILE 14 N 2.51 5.06 0.13 2.92 1.01 -1.26 -5.09 121.20 126.48 2joq s ILE 14 Ca 0.18 1.09 0.08 0.00 0.00 0.00 0.00 60.65 62.00 2joq s ILE 14 Cb -0.15 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 2joq s ILE 14 CO 0.16 0.38 -0.09 -0.31 0.00 0.00 0.00 174.94 175.08 2joq s TYR 15 N 0.16 2.72 0.40 3.97 1.51 -1.26 -4.19 117.35 120.65 2joq s TYR 15 Ca 0.29 -0.17 -0.19 0.00 -1.01 0.00 0.00 57.07 55.99 2joq s TYR 15 Cb -0.17 -1.39 -0.10 0.00 -0.11 0.00 0.00 41.96 40.19 2joq s TYR 15 CO 0.14 0.45 0.88 -2.14 -1.11 0.00 0.00 175.55 173.77 2joq s PRO 16 N -2.41 4.13 0.15 -1.71 0.02 -1.26 -5.00 135.00 128.92 2joq s PRO 16 Ca 0.23 0.95 -0.18 0.00 0.02 0.00 0.00 61.00 62.01 2joq s PRO 16 Cb -0.10 -2.27 0.04 0.00 0.02 0.00 0.00 34.50 32.20 2joq s PRO 16 CO 0.14 0.02 0.48 0.00 -0.33 0.00 0.00 177.00 177.31 2joq s LEU 18 N -2.80 3.37 0.11 0.00 1.43 -1.26 -1.15 118.68 118.39 2joq s LEU 18 Ca 0.03 0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 53.74 2joq s LEU 18 Cb 0.00 -2.87 -0.06 0.00 0.03 0.00 0.00 46.19 43.30 2joq s LEU 18 CO -0.11 -2.16 0.40 0.86 0.23 0.00 0.00 176.35 175.57 2joq s TRP 19 N 8.39 3.53 -0.28 0.29 -0.11 -0.26 -4.82 118.94 125.68 2joq s TRP 19 Ca 0.72 0.70 -0.11 0.00 1.22 0.00 0.00 56.10 58.63 2joq s TRP 19 Cb -0.16 -2.10 -0.04 0.00 -1.50 0.00 0.00 33.47 29.67 2joq s TRP 19 CO 0.25 0.47 0.18 0.34 -4.62 0.00 0.00 176.95 173.57 2joq s ASP 20 N -2.07 5.92 0.03 5.86 2.15 -1.26 -2.24 116.67 125.06 2joq s ASP 20 Ca 0.37 -0.09 0.01 0.00 0.43 0.00 0.00 52.55 53.27 2joq s ASP 20 Cb -0.13 -2.10 -0.04 0.00 -0.30 0.00 0.00 42.92 40.35 2joq s ASP 20 CO 0.21 -0.07 0.08 -0.31 -0.17 0.00 0.00 175.17 174.90 2joq s TYR 21 N 1.74 3.23 -0.20 -5.34 1.51 0.82 -4.50 117.35 114.61 2joq s TYR 21 Ca 0.07 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 2joq s TYR 21 Cb -0.16 -1.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 2joq s TYR 21 CO 0.10 0.53 -0.08 0.50 -1.11 0.00 0.00 175.55 175.49 2joq s ARG 22 N -2.03 1.79 -0.28 -0.62 6.06 -0.07 -1.49 118.95 122.31 2joq s ARG 22 Ca 0.26 -0.78 -0.01 0.00 -2.50 0.00 0.00 55.73 52.70 2joq s ARG 22 Cb -0.12 -2.34 0.05 0.00 0.06 0.00 0.00 34.95 32.60 2joq s ARG 22 CO 0.18 -0.46 -0.03 0.08 -2.50 0.00 0.00 175.30 172.57 2joq s VAL 23 N 1.46 2.84 -0.43 7.11 1.01 -0.08 -0.64 120.40 131.66 2joq s VAL 23 Ca -0.02 -1.36 -0.14 0.00 0.00 0.00 0.00 61.98 60.46 2joq s VAL 23 Cb -0.16 -2.60 0.04 0.00 0.00 0.00 0.00 36.38 33.65 2joq s VAL 23 CO -0.08 -0.04 0.32 -0.63 0.00 0.00 0.00 175.10 174.67 2joq s ILE 24 N 1.24 5.12 0.51 2.22 1.01 -0.38 -0.16 121.20 130.76 2joq s ILE 24 Ca -0.05 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2joq s ILE 24 Cb -0.19 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.36 2joq s ILE 24 CO -0.02 -0.41 0.34 -0.04 0.00 0.00 0.00 174.94 174.80 2joq s MET 25 N 1.64 2.27 -0.06 2.79 -1.94 -0.54 -1.11 119.30 122.35 2joq s MET 25 Ca 0.04 -2.00 0.16 0.00 -1.71 0.00 0.00 55.69 52.18 2joq s MET 25 Cb -0.21 -2.05 0.50 0.00 2.01 0.00 0.00 34.83 35.08 2joq s MET 25 CO 0.08 -0.50 1.42 0.25 -0.01 0.00 0.00 175.02 176.27 2joq n THR 26 N -1.63 1.40 -4.02 2.05 -2.24 -0.39 -0.23 114.28 109.23 2joq n THR 26 Ca -0.03 -1.19 -0.08 0.00 -2.27 0.00 0.00 64.05 60.49 2joq n THR 26 Cb 0.64 0.29 -0.09 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.49 0.19 -1.48 4.28 -1.32 -1.26 -4.78 115.64 109.78 2joq s THR 27 Ca 0.38 -1.55 0.27 0.00 -1.21 0.00 0.00 61.69 59.58 2joq s THR 27 Cb 0.23 -1.34 0.30 0.00 -1.51 0.00 0.00 72.50 70.18 2joq s THR 27 CO 0.20 -0.86 1.71 0.29 -2.21 0.00 0.00 174.62 173.75 2joq n LYS 28 N 0.23 0.52 -2.38 7.08 5.02 -1.26 -4.69 118.16 122.68 2joq n LYS 28 Ca -0.15 -0.23 -0.37 0.00 -2.02 0.00 0.00 58.31 55.54 2joq n LYS 28 Cb 0.61 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.09 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 -2.64 6.11 -0.59 4.39 2.15 -1.26 -4.89 116.67 119.94 2joq s ASP 29 Ca 0.23 -1.91 -0.19 0.00 0.43 0.00 0.00 52.55 51.11 2joq s ASP 29 Cb 0.19 -2.58 0.10 0.00 -0.30 0.00 0.00 42.92 40.34 2joq s ASP 29 CO 0.53 -1.92 0.69 0.28 -0.17 0.00 0.00 175.17 174.59 2joq s THR 30 N 6.84 4.84 0.13 1.71 -1.32 -1.26 -4.65 115.64 121.93 2joq s THR 30 Ca 0.58 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.04 2joq s THR 30 Cb 0.01 -4.48 0.00 0.00 -1.51 0.00 0.00 72.50 66.52 2joq s THR 30 CO 0.06 -1.11 0.00 -0.24 -2.21 0.00 0.00 174.62 171.12 2joq n SER 31 N 6.27 -0.57 0.18 8.08 2.88 -1.26 -4.78 113.62 124.43 2joq n SER 31 Ca -0.10 0.24 0.07 0.00 -1.33 0.00 0.00 58.87 57.75 2joq n SER 31 Cb 0.42 0.69 0.58 0.00 -0.75 0.00 0.00 64.21 65.15 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2joq h THR 32 N 0.00 1.02 -0.55 2.46 2.02 -1.99 0.46 112.91 116.33 2joq h THR 32 Ca 0.00 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.14 2joq h THR 32 Cb 0.00 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2joq h THR 32 CO 0.00 0.03 0.36 0.25 0.37 0.00 0.00 175.52 176.53 2joq h LEU 33 N 0.16 0.61 -0.71 2.58 5.85 -1.89 -2.58 115.31 119.33 2joq h LEU 33 Ca 0.05 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.62 2joq h LEU 33 Cb -0.00 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2joq h LEU 33 CO -0.01 0.44 -0.51 0.11 -0.34 0.00 0.00 178.44 178.13 2joq h LYS 34 N 0.73 0.35 -0.53 1.25 1.57 -1.30 -3.18 116.57 115.46 2joq h LYS 34 Ca 0.21 -0.20 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2joq h LYS 34 Cb -0.06 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.18 2joq h LYS 34 CO -0.06 0.78 -0.01 0.93 -0.57 0.00 0.00 179.45 180.52 2joq h GLU 35 N 0.28 0.10 -0.02 3.15 4.39 -0.64 0.27 114.58 122.11 2joq h GLU 35 Ca 0.01 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 2joq h GLU 35 Cb 0.99 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.60 2joq h GLU 35 CO 0.08 0.07 -0.49 1.37 -1.16 0.00 0.00 179.01 178.88 2joq h LEU 36 N 0.10 0.04 -0.26 1.33 8.10 -1.52 -2.93 115.31 120.17 2joq h LEU 36 Ca 0.27 -0.02 -0.20 0.00 0.11 0.00 0.00 57.88 58.04 2joq h LEU 36 Cb 0.42 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 2joq h LEU 36 CO -0.46 0.53 -0.68 -0.07 -4.11 0.00 0.00 178.44 173.65 2joq h LEU 37 N 0.03 0.88 -1.69 0.17 3.38 -1.06 -3.21 115.31 113.81 2joq h LEU 37 Ca -0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2joq h LEU 37 Cb 0.88 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2joq h LEU 37 CO 0.07 1.32 -0.10 -0.33 0.09 0.00 0.00 178.44 179.49 2joq h GLU 38 N 0.55 0.00 -0.01 1.13 5.08 -0.36 -2.31 114.58 118.65 2joq h GLU 38 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2joq h GLU 38 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2joq h GLU 38 CO 0.14 0.10 -0.07 1.79 -1.00 0.00 0.00 179.01 179.97 2joq h THR 39 N 0.00 1.05 0.00 1.13 1.35 -1.53 0.76 112.91 115.67 2joq h THR 39 Ca -0.00 -0.25 -0.05 0.00 -0.55 0.00 0.00 66.41 65.56 2joq h THR 39 Cb 0.46 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 2joq h THR 39 CO 0.01 0.07 -0.22 1.88 -0.25 0.00 0.00 175.52 177.02 2joq h TYR 40 N 0.02 0.00 -1.39 4.73 -1.99 -1.59 -3.47 116.97 113.28 2joq h TYR 40 Ca 0.00 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.34 2joq h TYR 40 Cb 0.13 0.00 -0.14 0.00 2.00 0.00 0.00 36.73 38.72 2joq h TYR 40 CO 0.00 0.22 -0.38 1.04 -0.00 0.00 0.00 178.16 179.04 2joq n GLN 41 N -3.16 -1.47 -3.76 4.88 1.13 0.26 -4.97 117.38 110.29 2joq n GLN 41 Ca 0.03 1.10 -0.26 0.00 -1.94 0.00 0.00 57.00 55.93 2joq n GLN 41 Cb 0.62 -5.50 -0.03 0.00 0.11 0.00 0.00 30.24 25.44 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 -3.83 3.49 0.33 -1.09 1.70 -1.26 -5.07 118.95 113.22 2joq s ARG 42 Ca 0.00 -0.44 -0.29 0.00 -0.47 0.00 0.00 55.73 54.53 2joq s ARG 42 Cb 0.00 -2.86 -0.11 0.00 -0.57 0.00 0.00 34.95 31.41 2joq s ARG 42 CO 0.00 0.42 1.40 -1.25 -1.08 0.00 0.00 175.30 174.79 2joq s PRO 43 N -3.43 4.25 0.01 3.89 0.04 -1.26 -4.90 135.00 133.60 2joq s PRO 43 Ca 0.37 2.36 -0.13 0.00 0.04 0.00 0.00 61.00 63.64 2joq s PRO 43 Cb -0.11 -3.04 0.02 0.00 0.04 0.00 0.00 34.50 31.41 2joq s PRO 43 CO 0.29 -0.37 0.28 -0.59 0.04 0.00 0.00 177.00 176.66 2joq s PHE 44 N -0.84 -0.11 -0.28 0.56 -0.71 -1.26 -3.76 117.98 111.58 2joq s PHE 44 Ca 0.53 0.08 -0.08 0.00 -1.04 0.00 0.00 56.93 56.42 2joq s PHE 44 Cb -0.43 0.07 -0.02 0.00 -1.21 0.00 0.00 43.02 41.43 2joq s PHE 44 CO 0.54 -0.42 0.11 0.21 -1.34 0.00 0.00 175.22 174.32 2joq s LYS 45 N -1.83 3.48 -0.40 1.99 2.20 -0.02 -4.94 119.74 120.23 2joq s LYS 45 Ca -0.10 -0.61 -0.22 0.00 -0.36 0.00 0.00 55.97 54.68 2joq s LYS 45 Cb -0.04 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.85 2joq s LYS 45 CO 0.01 -0.31 0.74 -1.17 -0.36 0.00 0.00 175.35 174.26 2joq s LEU 46 N 1.61 4.23 0.13 5.43 1.98 -1.26 -2.84 118.68 127.96 2joq s LEU 46 Ca 0.05 0.08 0.06 0.00 -2.89 0.00 0.00 54.13 51.42 2joq s LEU 46 Cb -0.16 -2.93 -0.04 0.00 0.66 0.00 0.00 46.19 43.72 2joq s LEU 46 CO 0.05 -0.78 -0.13 -1.61 -1.89 0.00 0.00 176.35 171.99 2joq s GLU 47 N 3.07 1.05 -0.20 1.98 0.41 0.49 -5.00 118.70 120.50 2joq s GLU 47 Ca 0.29 -1.31 0.01 0.00 -0.41 0.00 0.00 54.97 53.55 2joq s GLU 47 Cb -0.13 -0.84 0.04 0.00 -1.78 0.00 0.00 34.13 31.42 2joq s GLU 47 CO 0.19 0.15 -0.10 0.12 -0.49 0.00 0.00 175.26 175.13 2joq s PHE 48 N -2.47 2.35 -0.06 1.61 5.36 -1.26 -0.41 117.98 123.10 2joq s PHE 48 Ca 0.11 -1.55 -0.02 0.00 -0.96 0.00 0.00 56.93 54.51 2joq s PHE 48 Cb -0.03 -1.61 -0.01 0.00 -0.34 0.00 0.00 43.02 41.04 2joq s PHE 48 CO 0.03 -0.73 -0.04 0.87 -1.46 0.00 0.00 175.22 173.89 2joq h LYS 49 N 7.99 0.00 -2.90 10.12 1.79 -1.39 -3.48 116.57 128.69 2joq h LYS 49 Ca -0.27 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.17 2joq h LYS 49 Cb 1.10 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.61 2joq h LYS 49 CO 0.47 0.00 0.16 1.21 -1.08 0.00 0.00 179.45 180.20 2joq s ASN 50 N -4.43 -0.53 0.06 0.86 3.84 -1.21 -5.03 114.94 108.50 2joq s ASN 50 Ca -0.03 0.07 0.09 0.00 0.21 0.00 0.00 52.86 53.19 2joq s ASN 50 Cb 0.00 0.57 -0.03 0.00 -0.55 0.00 0.00 41.25 41.24 2joq s ASN 50 CO 0.04 -0.89 -0.24 0.28 -2.79 0.00 0.00 177.10 173.50 2joq s THR 51 N -3.32 1.96 0.91 -5.21 -1.32 -1.26 -0.33 115.64 107.06 2joq s THR 51 Ca -0.01 -1.38 -0.12 0.00 -1.21 0.00 0.00 61.69 58.97 2joq s THR 51 Cb -0.01 -1.70 0.08 0.00 -1.51 0.00 0.00 72.50 69.36 2joq s THR 51 CO -0.09 0.25 0.77 -0.24 -2.21 0.00 0.00 174.62 173.10 2joq n SER 52 N 1.65 -0.81 -0.00 8.08 2.88 0.27 -4.80 113.62 120.89 2joq n SER 52 Ca -0.17 0.41 0.12 0.00 -1.33 0.00 0.00 58.87 57.90 2joq n SER 52 Cb 0.53 -1.34 0.56 0.00 -0.75 0.00 0.00 64.21 63.20 2joq n SER 52 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2joq h LYS 53 N -1.52 0.26 -0.00 -1.46 1.79 -2.00 0.11 116.57 113.75 2joq h LYS 53 Ca -0.44 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 2joq h LYS 53 Cb 1.28 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2joq h LYS 53 CO 0.39 0.17 -0.21 0.09 -1.08 0.00 0.00 179.45 178.81 2joq n ASN 54 N -4.46 0.37 -1.34 0.86 3.02 -1.26 -4.91 115.26 107.54 2joq n ASN 54 Ca 0.07 -0.16 -0.17 0.00 -0.03 0.00 0.00 54.58 54.28 2joq n ASN 54 Cb 0.35 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.36 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 -1.28 -0.27 0.02 5.41 0.00 0.39 -4.84 120.51 119.95 2joq n ALA 55 Ca 0.09 0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.68 2joq n ALA 55 Cb 0.32 -1.94 -0.14 0.00 0.00 0.00 0.00 19.45 17.69 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 0.13 -5.89 0.00 1.63 -1.91 -3.46 116.57 107.07 2joq h LYS 56 Ca -0.36 -0.22 -0.68 0.00 -0.85 0.00 0.00 60.65 58.54 2joq h LYS 56 Cb 1.28 0.08 -0.24 0.00 -0.60 0.00 0.00 32.23 32.75 2joq h LYS 56 CO 0.52 0.88 -0.75 -0.06 -3.45 0.00 0.00 179.45 176.59 2joq s PHE 57 N -2.61 2.79 -0.13 1.91 0.08 -1.26 -4.21 117.98 114.55 2joq s PHE 57 Ca -0.09 -0.31 0.02 0.00 0.12 0.00 0.00 56.93 56.67 2joq s PHE 57 Cb 0.08 -1.73 0.01 0.00 -0.57 0.00 0.00 43.02 40.80 2joq s PHE 57 CO 0.82 0.05 -0.20 0.71 -0.10 0.00 0.00 175.22 176.51 2joq s TYR 58 N -0.30 2.41 -0.40 0.36 1.51 0.69 -0.57 117.35 121.05 2joq s TYR 58 Ca 0.03 -1.18 -0.21 0.00 -1.01 0.00 0.00 57.07 54.70 2joq s TYR 58 Cb -0.13 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 2joq s TYR 58 CO 0.03 -0.55 0.64 -1.12 -1.11 0.00 0.00 175.55 173.43 2joq s SER 59 N 0.85 6.37 0.19 2.29 0.01 0.55 -1.47 113.70 122.49 2joq s SER 59 Ca -0.08 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.15 2joq s SER 59 Cb -0.15 -2.32 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 2joq s SER 59 CO -0.01 -0.68 0.19 -0.36 0.41 0.00 0.00 173.24 172.78 2joq s PHE 60 N 2.77 3.21 -0.06 2.43 0.08 0.77 -0.99 117.98 126.19 2joq s PHE 60 Ca 0.24 -0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.28 2joq s PHE 60 Cb -0.14 -1.51 0.02 0.00 -0.57 0.00 0.00 43.02 40.81 2joq s PHE 60 CO 0.17 0.51 -0.08 1.21 -0.10 0.00 0.00 175.22 176.93 2joq s ASN 61 N -3.35 1.41 -0.12 1.36 3.04 0.45 -0.90 114.94 116.83 2joq s ASN 61 Ca 0.32 -0.22 -0.01 0.00 0.04 0.00 0.00 52.86 53.00 2joq s ASN 61 Cb -0.10 -0.65 0.03 0.00 -1.54 0.00 0.00 41.25 38.99 2joq s ASN 61 CO 0.25 -0.02 -0.07 -0.69 -3.04 0.00 0.00 177.10 173.54 2joq s VAL 62 N 0.84 0.99 -0.20 -5.21 1.01 -0.56 -0.38 120.40 116.90 2joq s VAL 62 Ca -0.12 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 2joq s VAL 62 Cb -0.15 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2joq s VAL 62 CO 0.01 0.32 -0.05 -0.94 0.00 0.00 0.00 175.10 174.44 2joq s SER 63 N 1.72 4.30 -0.01 3.32 1.04 -1.13 -0.12 113.70 122.81 2joq s SER 63 Ca 0.04 -0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.06 2joq s SER 63 Cb -0.13 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.27 2joq s SER 63 CO -0.08 0.02 0.12 0.00 0.98 0.00 0.00 173.24 174.28 2joq s MET 64 N 1.24 0.36 -0.44 4.02 0.23 -0.95 -0.84 119.30 122.91 2joq s MET 64 Ca 0.03 -0.22 -0.28 0.00 -1.03 0.00 0.00 55.69 54.19 2joq s MET 64 Cb -0.14 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.31 2joq s MET 64 CO -0.02 -0.08 1.55 -1.21 -2.03 0.00 0.00 175.02 173.24 2joq s GLU 65 N -0.89 3.36 -0.13 3.16 2.02 -1.25 -1.11 118.70 123.86 2joq s GLU 65 Ca -0.10 0.92 -0.20 0.00 0.02 0.00 0.00 54.97 55.61 2joq s GLU 65 Cb -0.06 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 2joq s GLU 65 CO 0.01 -1.84 0.57 0.14 0.02 0.00 0.00 175.26 174.15 2joq s VAL 66 N 6.31 5.11 0.35 2.63 -7.23 -0.30 -4.81 120.40 122.45 2joq s VAL 66 Ca 0.65 1.12 0.03 0.00 -1.81 0.00 0.00 61.98 61.96 2joq s VAL 66 Cb -0.15 -3.90 0.23 0.00 0.56 0.00 0.00 36.38 33.12 2joq s VAL 66 CO 0.30 0.24 1.96 -1.28 -0.31 0.00 0.00 175.10 176.02 2joq h SER 67 N 6.99 0.64 -1.69 4.85 0.87 -1.94 -3.12 113.55 120.15 2joq h SER 67 Ca -0.38 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2joq h SER 67 Cb 1.17 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 2joq h SER 67 CO 0.76 0.54 0.12 -0.46 -0.53 0.00 0.00 176.83 177.26 2joq n ASN 68 N -4.39 -0.85 -0.02 6.23 0.23 -1.26 -4.06 115.26 111.14 2joq n ASN 68 Ca 0.04 -1.57 -0.14 0.00 -0.53 0.00 0.00 54.58 52.39 2joq n ASN 68 Cb 0.11 1.41 -0.02 0.00 -2.08 0.00 0.00 39.78 39.20 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 0.71 -0.31 -3.83 4.81 -2.00 -2.98 114.58 110.98 2joq h GLU 69 Ca -0.12 -0.51 0.01 0.00 -0.13 0.00 0.00 59.36 58.61 2joq h GLU 69 Cb 0.47 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 2joq h GLU 69 CO 0.16 1.13 0.21 0.77 -0.73 0.00 0.00 179.01 180.55 2joq h SER 70 N 0.52 0.32 0.18 1.04 0.02 -2.00 -2.00 113.55 111.63 2joq h SER 70 Ca -0.02 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2joq h SER 70 Cb 1.25 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.68 2joq h SER 70 CO 0.13 0.23 -0.36 -0.33 -1.14 0.00 0.00 176.83 175.37 2joq h GLU 71 N 0.38 -0.60 0.00 3.45 4.39 -1.93 0.16 114.58 120.43 2joq h GLU 71 Ca 0.12 0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2joq h GLU 71 Cb 0.02 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2joq h GLU 71 CO -0.03 -0.40 0.00 2.89 -1.16 0.00 0.00 179.01 180.31 2joq n ARG 72 N -5.44 0.15 -0.08 2.33 1.85 -0.77 -0.77 116.66 113.92 2joq n ARG 72 Ca -0.08 0.56 -0.20 0.00 -1.00 0.00 0.00 57.85 57.13 2joq n ARG 72 Cb 0.35 -1.90 -0.12 0.00 -1.05 0.00 0.00 32.46 29.74 2joq n ARG 72 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2joq n ASN 73 N -2.20 2.02 -0.06 2.89 3.02 -0.91 -3.69 115.26 116.33 2joq n ASN 73 Ca -0.00 0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.47 2joq n ASN 73 Cb 0.10 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 2joq n ASN 73 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2joq h GLU 74 N -0.11 0.42 -0.96 3.52 4.11 0.20 -2.61 114.58 119.14 2joq h GLU 74 Ca -0.53 -0.20 -0.00 0.00 0.07 0.00 0.00 59.36 58.70 2joq h GLU 74 Cb 1.89 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.10 2joq h GLU 74 CO -0.06 0.75 0.60 0.82 0.07 0.00 0.00 179.01 181.18 2joq h ILE 75 N 0.09 1.26 -0.98 -1.06 2.04 -1.18 -1.70 117.51 115.97 2joq h ILE 75 Ca 0.04 -0.54 0.12 0.00 1.00 0.00 0.00 64.86 65.47 2joq h ILE 75 Cb 0.65 -0.12 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 2joq h ILE 75 CO 0.04 0.27 0.62 0.15 0.00 0.00 0.00 178.15 179.22 2joq h PHE 76 N 1.32 1.09 -0.17 1.37 3.57 -1.59 -0.05 116.94 122.48 2joq h PHE 76 Ca 0.35 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.66 2joq h PHE 76 Cb -0.08 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.32 2joq h PHE 76 CO 0.00 0.43 -0.74 1.96 -2.23 0.00 0.00 178.31 177.73 2joq h GLN 77 N 0.95 0.79 0.00 1.11 4.20 -0.96 -3.08 115.11 118.12 2joq h GLN 77 Ca 0.48 -0.62 -0.04 0.00 0.06 0.00 0.00 58.65 58.53 2joq h GLN 77 Cb 0.51 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 2joq h GLN 77 CO -0.25 1.24 -0.19 0.87 -0.67 0.00 0.00 178.83 179.83 2joq h LYS 78 N 0.55 0.00 0.00 1.46 1.57 -0.43 -1.72 116.57 118.01 2joq h LYS 78 Ca -0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2joq h LYS 78 Cb 1.37 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2joq h LYS 78 CO 0.15 0.19 -0.18 0.82 -0.57 0.00 0.00 179.45 179.86 2joq h ILE 79 N 0.00 1.11 -0.19 1.86 2.04 -0.96 -1.67 117.51 119.70 2joq h ILE 79 Ca -0.00 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2joq h ILE 79 Cb 0.33 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2joq h ILE 79 CO 0.02 0.18 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 2joq n SER 80 N -4.30 1.14 -0.55 1.72 3.41 -0.65 -3.51 113.62 110.89 2joq n SER 80 Ca -0.02 -1.91 0.13 0.00 -0.26 0.00 0.00 58.87 56.80 2joq n SER 80 Cb 0.24 -0.13 0.45 0.00 -0.26 0.00 0.00 64.21 64.51 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 0.09 1.74 0.19 4.33 6.02 -0.63 -3.94 117.38 125.18 2joq n GLN 81 Ca 0.09 -1.09 0.07 0.00 -0.01 0.00 0.00 57.00 56.06 2joq n GLN 81 Cb 0.19 -1.45 0.22 0.00 1.02 0.00 0.00 30.24 30.22 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 2.49 0.00 0.00 1.08 3.38 -1.75 -3.47 115.31 117.05 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 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2joq h LEU 82 CO 0.00 0.29 0.00 -0.67 0.09 0.00 0.00 178.44 178.15 2joq n ASP 83 N -3.25 0.00 0.00 -0.43 2.03 -1.25 -4.55 116.55 109.10 2joq n ASP 83 Ca 0.02 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.44 2joq n ASP 83 Cb 0.58 0.00 0.55 0.00 -0.72 0.00 0.00 41.12 41.52 2joq n ASP 83 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2joq n LYS 84 N 0.00 0.24 -3.21 -0.67 5.02 -1.26 -4.75 118.16 113.52 2joq n LYS 84 Ca 0.00 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.99 2joq n LYS 84 Cb 0.00 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.45 2joq n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2joq s VAL 85 N -2.69 5.01 -0.13 -0.18 0.11 -1.26 -1.26 120.40 120.02 2joq s VAL 85 Ca 0.19 1.19 0.14 0.00 -2.93 0.00 0.00 61.98 60.57 2joq s VAL 85 Cb 0.15 -3.91 -0.20 0.00 -1.53 0.00 0.00 36.38 30.89 2joq s VAL 85 CO 0.36 0.37 0.11 1.33 -3.33 0.00 0.00 175.10 173.94 2joq n VAL 86 N 3.15 0.84 -3.65 2.04 0.24 -0.26 -4.95 118.33 115.73 2joq n VAL 86 Ca -0.06 -0.59 -0.19 0.00 -2.04 0.00 0.00 64.34 61.46 2joq n VAL 86 Cb 0.51 -0.46 -0.16 0.00 -1.47 0.00 0.00 33.84 32.26 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 -2.52 0.01 -0.20 7.34 2.00 -1.00 -5.06 119.66 120.23 2joq s GLN 87 Ca -0.07 0.44 -0.07 0.00 -2.00 0.00 0.00 55.36 53.66 2joq s GLN 87 Cb 0.06 -0.51 -0.04 0.00 0.80 0.00 0.00 33.01 33.32 2joq s GLN 87 CO 0.63 -0.36 0.06 0.95 -0.50 0.00 0.00 175.29 176.07 2joq s THR 88 N 2.25 4.56 -0.14 -0.34 -4.23 -1.26 -1.25 115.64 115.21 2joq s THR 88 Ca 0.04 -0.11 0.02 0.00 -1.18 0.00 0.00 61.69 60.46 2joq s THR 88 Cb -0.12 -3.07 0.02 0.00 1.34 0.00 0.00 72.50 70.66 2joq s THR 88 CO -0.05 0.42 -0.18 -0.76 -0.54 0.00 0.00 174.62 173.51 2joq s LEU 89 N 0.77 1.91 -0.14 4.79 1.02 0.18 -4.98 118.68 122.23 2joq s LEU 89 Ca 0.03 -0.54 0.16 0.00 0.02 0.00 0.00 54.13 53.81 2joq s LEU 89 Cb -0.14 -1.29 0.40 0.00 0.02 0.00 0.00 46.19 45.18 2joq s LEU 89 CO 0.02 0.02 1.29 0.61 0.02 0.00 0.00 176.35 178.31 2joq n GLY 90 N 4.36 4.19 3.75 -3.19 0.00 -1.26 -0.89 105.19 112.15 2joq n GLY 90 Ca -0.19 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2joq n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06