#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 -1.23 2.99 1.08 0.00 -1.26 -5.12 105.19 101.65 2joq n GLY 2 Ca 0.00 0.41 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 2joq n GLY 2 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2joq s HIS 3 N 0.00 0.05 -0.20 1.61 -3.43 -1.26 -5.13 115.29 106.94 2joq s HIS 3 Ca 0.00 -0.10 -0.29 0.00 -0.80 0.00 0.00 55.06 53.87 2joq s HIS 3 Cb 0.00 -0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 2joq s HIS 3 CO 0.00 -0.14 1.03 0.00 -2.00 0.00 0.00 174.74 173.63 2joq s MET 4 N -0.74 4.30 -0.73 -0.38 0.23 -1.26 -4.97 119.30 115.76 2joq s MET 4 Ca -0.08 1.36 -0.26 0.00 -1.03 0.00 0.00 55.69 55.68 2joq s MET 4 Cb -0.05 -3.61 -0.01 0.00 -1.53 0.00 0.00 34.83 29.63 2joq s MET 4 CO 0.00 -0.54 1.71 -1.25 -2.03 0.00 0.00 175.02 172.91 2joq s PRO 5 N 2.86 2.82 -0.71 3.16 0.04 -1.26 -4.90 135.00 137.02 2joq s PRO 5 Ca 0.45 0.10 -0.25 0.00 0.04 0.00 0.00 61.00 61.34 2joq s PRO 5 Cb -0.16 -4.55 -0.14 0.00 0.04 0.00 0.00 34.50 29.70 2joq s PRO 5 CO 0.09 -2.67 2.41 0.45 0.04 0.00 0.00 177.00 177.32 2joq n SER 6 N 11.87 1.64 -3.11 6.66 2.88 -1.26 -2.51 113.62 129.79 2joq n SER 6 Ca 0.21 -0.99 -0.22 0.00 -1.33 0.00 0.00 58.87 56.54 2joq n SER 6 Cb 0.50 -1.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.47 2joq n SER 6 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2joq n ASP 7 N 16.32 -5.09 -0.10 -3.46 2.03 -1.26 -4.81 116.55 120.18 2joq n ASP 7 Ca 0.46 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 55.48 2joq n ASP 7 Cb 0.43 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.68 2joq n ASP 7 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2joq n SER 8 N -2.39 0.16 -4.76 1.67 7.64 -1.04 -4.82 113.62 110.08 2joq n SER 8 Ca -0.08 -1.66 -0.41 0.00 1.01 0.00 0.00 58.87 57.73 2joq n SER 8 Cb 0.59 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.68 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 -1.80 4.50 0.25 1.43 1.02 -1.26 -5.03 119.74 118.85 2joq s LYS 9 Ca 0.00 1.97 -0.16 0.00 0.02 0.00 0.00 55.97 57.80 2joq s LYS 9 Cb 0.00 -3.16 -0.08 0.00 -0.52 0.00 0.00 37.83 34.06 2joq s LYS 9 CO 0.00 -0.01 0.68 0.15 -0.92 0.00 0.00 175.35 175.26 2joq s LYS 10 N -1.20 4.05 0.34 1.68 1.02 -1.26 -5.03 119.74 119.35 2joq s LYS 10 Ca 0.48 0.66 -0.29 0.00 0.02 0.00 0.00 55.97 56.84 2joq s LYS 10 Cb -0.35 -2.67 -0.11 0.00 -0.52 0.00 0.00 37.83 34.18 2joq s LYS 10 CO 0.44 0.30 1.52 -1.25 -0.92 0.00 0.00 175.35 175.43 2joq s PRO 11 N -2.50 4.12 -0.16 -1.68 0.04 -1.26 -4.91 135.00 128.66 2joq s PRO 11 Ca 0.47 2.56 -0.29 0.00 0.04 0.00 0.00 61.00 63.78 2joq s PRO 11 Cb -0.13 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 2joq s PRO 11 CO 0.19 -0.56 1.84 0.99 0.04 0.00 0.00 177.00 179.51 2joq s THR 12 N -0.71 3.37 0.20 1.26 2.01 -1.26 -4.97 115.64 115.54 2joq s THR 12 Ca 0.56 0.42 -0.28 0.00 0.31 0.00 0.00 61.69 62.71 2joq s THR 12 Cb -0.47 -3.38 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 2joq s THR 12 CO 0.57 -0.16 0.86 -0.63 -0.69 0.00 0.00 174.62 174.58 2joq s ILE 13 N 5.77 4.22 -0.04 1.82 -1.09 -1.26 -5.01 121.20 125.62 2joq s ILE 13 Ca 0.82 1.90 -0.30 0.00 -2.23 0.00 0.00 60.65 60.84 2joq s ILE 13 Cb -0.31 -4.23 -0.03 0.00 -1.58 0.00 0.00 42.46 36.30 2joq s ILE 13 CO 0.33 0.51 1.13 -0.63 -1.23 0.00 0.00 174.94 175.05 2joq s ILE 14 N -1.15 4.42 -0.02 2.92 1.09 -1.26 -5.04 121.20 122.16 2joq s ILE 14 Ca 0.38 1.73 0.03 0.00 -1.10 0.00 0.00 60.65 61.69 2joq s ILE 14 Cb -0.25 -4.11 -0.00 0.00 -1.06 0.00 0.00 42.46 37.04 2joq s ILE 14 CO 0.29 0.05 -0.10 -0.31 -0.10 0.00 0.00 174.94 174.77 2joq s TYR 15 N 1.77 0.99 0.68 3.97 2.02 -1.26 -4.12 117.35 121.40 2joq s TYR 15 Ca 0.54 -0.23 -0.11 0.00 -0.37 0.00 0.00 57.07 56.90 2joq s TYR 15 Cb -0.24 -0.68 0.00 0.00 -0.40 0.00 0.00 41.96 40.64 2joq s TYR 15 CO 0.23 -0.07 1.08 -1.25 -1.57 0.00 0.00 175.55 173.97 2joq s PRO 16 N 0.02 3.03 -0.04 -1.71 0.04 -1.23 -4.99 135.00 130.14 2joq s PRO 16 Ca -0.01 0.51 -0.31 0.00 0.04 0.00 0.00 61.00 61.24 2joq s PRO 16 Cb -0.07 -2.04 0.11 0.00 0.04 0.00 0.00 34.50 32.54 2joq s PRO 16 CO 0.00 -0.92 1.12 0.00 0.04 0.00 0.00 177.00 177.25 2joq s LEU 18 N -2.63 3.53 -0.16 0.00 1.43 -1.26 -0.96 118.68 118.63 2joq s LEU 18 Ca 0.10 1.10 -0.16 0.00 -1.03 0.00 0.00 54.13 54.15 2joq s LEU 18 Cb 0.01 -3.50 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2joq s LEU 18 CO -0.04 -1.62 0.40 0.86 0.23 0.00 0.00 176.35 176.18 2joq s TRP 19 N 6.37 3.44 -0.24 0.29 -0.11 -0.25 -4.82 118.94 123.61 2joq s TRP 19 Ca 0.72 0.70 -0.12 0.00 1.22 0.00 0.00 56.10 58.63 2joq s TRP 19 Cb -0.19 -2.49 -0.05 0.00 -1.50 0.00 0.00 33.47 29.25 2joq s TRP 19 CO 0.33 0.11 0.22 0.16 -4.62 0.00 0.00 176.95 173.16 2joq s ASP 20 N 0.75 6.18 -0.15 5.86 -4.77 -1.26 -2.57 116.67 120.71 2joq s ASP 20 Ca 0.21 0.19 -0.08 0.00 -3.30 0.00 0.00 52.55 49.57 2joq s ASP 20 Cb -0.14 -2.14 -0.04 0.00 -1.09 0.00 0.00 42.92 39.50 2joq s ASP 20 CO 0.07 0.01 0.13 -0.31 0.70 0.00 0.00 175.17 175.77 2joq s TYR 21 N 1.24 3.49 -0.45 2.11 1.51 0.10 -4.93 117.35 120.43 2joq s TYR 21 Ca 0.10 0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 56.37 2joq s TYR 21 Cb -0.14 -2.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.71 2joq s TYR 21 CO 0.06 0.52 0.63 0.50 -1.11 0.00 0.00 175.55 176.15 2joq s ARG 22 N -0.40 3.23 -0.13 -0.62 6.06 -0.73 -2.63 118.95 123.74 2joq s ARG 22 Ca 0.11 -0.50 -0.01 0.00 -2.50 0.00 0.00 55.73 52.84 2joq s ARG 22 Cb -0.12 -3.98 -0.02 0.00 0.06 0.00 0.00 34.95 30.89 2joq s ARG 22 CO 0.01 -1.05 -0.09 0.08 -2.50 0.00 0.00 175.30 171.75 2joq s VAL 23 N 2.76 3.40 -0.29 7.11 1.01 -0.79 -0.73 120.40 132.88 2joq s VAL 23 Ca 0.20 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.66 2joq s VAL 23 Cb -0.15 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.85 2joq s VAL 23 CO 0.17 0.53 -0.05 -0.63 0.00 0.00 0.00 175.10 175.12 2joq s ILE 24 N 0.16 2.36 0.26 2.22 1.01 -0.26 0.03 121.20 126.98 2joq s ILE 24 Ca -0.05 -1.74 0.10 0.00 0.00 0.00 0.00 60.65 58.96 2joq s ILE 24 Cb -0.14 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.82 2joq s ILE 24 CO 0.04 -0.17 -0.09 -0.04 0.00 0.00 0.00 174.94 174.68 2joq s MET 25 N 1.09 2.03 -0.09 2.79 -1.94 0.17 -0.97 119.30 122.38 2joq s MET 25 Ca -0.04 -1.52 0.16 0.00 -1.71 0.00 0.00 55.69 52.57 2joq s MET 25 Cb -0.20 -2.02 0.61 0.00 2.01 0.00 0.00 34.83 35.23 2joq s MET 25 CO -0.05 0.36 1.49 0.25 -0.01 0.00 0.00 175.02 177.07 2joq n THR 26 N -0.66 1.51 -4.09 2.05 -2.24 -0.87 -0.32 114.28 109.66 2joq n THR 26 Ca -0.07 -0.98 -0.09 0.00 -2.27 0.00 0.00 64.05 60.65 2joq n THR 26 Cb 0.59 0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 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 -1.77 0.35 -1.48 4.28 -1.32 -1.26 -4.91 115.64 109.52 2joq s THR 27 Ca 0.43 -1.61 0.23 0.00 -1.21 0.00 0.00 61.69 59.53 2joq s THR 27 Cb 0.28 -1.25 -0.07 0.00 -1.51 0.00 0.00 72.50 69.95 2joq s THR 27 CO 0.21 -0.82 1.10 0.29 -2.21 0.00 0.00 174.62 173.19 2joq n LYS 28 N 0.47 0.55 -3.45 7.08 4.76 -1.26 -4.81 118.16 121.50 2joq n LYS 28 Ca -0.16 -0.44 -0.43 0.00 -2.87 0.00 0.00 58.31 54.41 2joq n LYS 28 Cb 0.59 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.22 2joq n LYS 28 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2joq s ASP 29 N -2.75 5.91 -0.31 4.39 2.15 -1.26 -5.01 116.67 119.79 2joq s ASP 29 Ca 0.14 -1.85 -0.00 0.00 0.43 0.00 0.00 52.55 51.27 2joq s ASP 29 Cb 0.17 -2.10 0.10 0.00 -0.30 0.00 0.00 42.92 40.80 2joq s ASP 29 CO 0.70 -0.76 0.09 0.28 -0.17 0.00 0.00 175.17 175.31 2joq s THR 30 N 1.47 1.05 -0.24 1.71 -1.32 -1.26 -4.94 115.64 112.10 2joq s THR 30 Ca 0.05 -1.49 -0.05 0.00 -1.21 0.00 0.00 61.69 58.99 2joq s THR 30 Cb -0.28 -1.78 -0.17 0.00 -1.51 0.00 0.00 72.50 68.76 2joq s THR 30 CO 0.01 -0.64 -0.15 -0.24 -2.21 0.00 0.00 174.62 171.38 2joq n SER 31 N 4.78 1.99 0.04 8.08 2.88 -1.26 -4.37 113.62 125.75 2joq n SER 31 Ca -0.02 0.06 0.20 0.00 -1.33 0.00 0.00 58.87 57.78 2joq n SER 31 Cb 0.42 -0.61 0.71 0.00 -0.75 0.00 0.00 64.21 63.98 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 -0.29 0.68 -0.44 2.46 2.02 -1.95 0.51 112.91 115.90 2joq h THR 32 Ca -0.58 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 2joq h THR 32 Cb 1.82 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 68.95 2joq h THR 32 CO -0.16 0.00 0.26 0.25 0.37 0.00 0.00 175.52 176.24 2joq h LEU 33 N 0.00 0.53 -0.44 2.58 5.85 -1.96 -1.80 115.31 120.07 2joq h LEU 33 Ca 0.22 -0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.70 2joq h LEU 33 Cb 0.93 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 2joq h LEU 33 CO -0.00 0.44 -0.74 0.11 -0.34 0.00 0.00 178.44 177.91 2joq h LYS 34 N 0.58 0.28 -0.38 1.25 1.57 -1.17 -3.16 116.57 115.54 2joq h LYS 34 Ca 0.16 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2joq h LYS 34 Cb 0.01 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2joq h LYS 34 CO -0.03 0.90 0.11 0.93 -0.57 0.00 0.00 179.45 180.79 2joq h GLU 35 N 0.19 0.24 -0.04 3.15 4.39 -0.78 0.24 114.58 121.97 2joq h GLU 35 Ca -0.03 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2joq h GLU 35 Cb 1.31 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2joq h GLU 35 CO 0.12 0.16 -0.26 1.37 -1.16 0.00 0.00 179.01 179.24 2joq h LEU 36 N 0.25 0.07 -0.31 1.33 8.10 -1.36 -2.19 115.31 121.20 2joq h LEU 36 Ca 0.18 -0.02 -0.20 0.00 0.11 0.00 0.00 57.88 57.95 2joq h LEU 36 Cb 0.18 -0.02 -0.00 0.00 -0.44 0.00 0.00 40.66 40.38 2joq h LEU 36 CO -0.21 0.33 -0.80 -0.07 -4.11 0.00 0.00 178.44 173.58 2joq h LEU 37 N 0.06 0.54 -1.80 0.17 3.38 -1.22 -3.18 115.31 113.27 2joq h LEU 37 Ca 0.01 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 2joq h LEU 37 Cb 0.49 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2joq h LEU 37 CO 0.04 1.14 -0.14 -0.33 0.09 0.00 0.00 178.44 179.23 2joq h GLU 38 N 0.28 0.00 -0.57 1.13 4.39 0.06 -2.17 114.58 117.70 2joq h GLU 38 Ca -0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2joq h GLU 38 Cb 1.40 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.02 2joq h GLU 38 CO 0.14 0.14 0.25 1.79 -1.16 0.00 0.00 179.01 180.17 2joq h THR 39 N 0.00 1.20 0.00 1.13 1.35 -1.47 -2.35 112.91 112.77 2joq h THR 39 Ca -0.00 -0.59 -0.17 0.00 -0.55 0.00 0.00 66.41 65.10 2joq h THR 39 Cb 0.39 0.49 -0.02 0.00 -1.73 0.00 0.00 68.15 67.28 2joq h THR 39 CO 0.02 0.24 -0.85 1.88 -0.25 0.00 0.00 175.52 176.56 2joq h TYR 40 N 0.81 0.00 -3.76 4.73 0.05 -1.55 -3.47 116.97 113.77 2joq h TYR 40 Ca 0.20 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.60 2joq h TYR 40 Cb 0.13 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 2joq h TYR 40 CO 0.01 0.77 -0.51 1.04 -1.05 0.00 0.00 178.16 178.42 2joq n GLN 41 N -3.26 -2.78 -4.17 4.88 1.13 -0.89 -4.99 117.38 107.31 2joq n GLN 41 Ca -0.00 0.86 -0.30 0.00 -1.94 0.00 0.00 57.00 55.61 2joq n GLN 41 Cb 0.86 -5.57 -0.09 0.00 0.11 0.00 0.00 30.24 25.55 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 -5.29 2.38 0.32 -1.09 1.70 -1.26 -5.08 118.95 110.62 2joq s ARG 42 Ca 0.11 -0.92 -0.29 0.00 -0.47 0.00 0.00 55.73 54.16 2joq s ARG 42 Cb -0.05 -2.44 -0.12 0.00 -0.57 0.00 0.00 34.95 31.76 2joq s ARG 42 CO 0.14 0.53 1.43 -0.35 -1.08 0.00 0.00 175.30 175.96 2joq n PRO 43 N 0.60 2.37 -3.88 3.89 -0.04 -1.26 -4.92 135.00 131.76 2joq n PRO 43 Ca -0.12 0.84 -0.11 0.00 -0.04 0.00 0.00 63.50 64.07 2joq n PRO 43 Cb 0.52 -2.51 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 2joq n PRO 43 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2joq s PHE 44 N -0.65 0.06 -0.27 0.54 -0.12 -1.26 -3.81 117.98 112.47 2joq s PHE 44 Ca 0.59 -0.19 -0.04 0.00 -0.05 0.00 0.00 56.93 57.25 2joq s PHE 44 Cb -0.55 -0.06 0.02 0.00 -0.63 0.00 0.00 43.02 41.80 2joq s PHE 44 CO 0.57 -0.30 -0.00 0.21 -0.05 0.00 0.00 175.22 175.65 2joq s LYS 45 N -1.53 2.91 -0.37 1.99 2.20 0.70 -4.94 119.74 120.69 2joq s LYS 45 Ca -0.14 -0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 54.46 2joq s LYS 45 Cb -0.07 -3.15 0.06 0.00 -1.51 0.00 0.00 37.83 33.16 2joq s LYS 45 CO 0.01 -0.43 0.17 -1.17 -0.36 0.00 0.00 175.35 173.56 2joq s LEU 46 N 1.39 4.70 0.16 5.43 0.20 -1.26 -1.44 118.68 127.85 2joq s LEU 46 Ca 0.01 -1.37 0.08 0.00 0.69 0.00 0.00 54.13 53.54 2joq s LEU 46 Cb -0.17 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 2joq s LEU 46 CO -0.01 -0.42 -0.19 -1.61 -0.29 0.00 0.00 176.35 173.83 2joq s GLU 47 N 1.38 1.25 -0.46 1.98 0.41 -0.75 -4.95 118.70 117.56 2joq s GLU 47 Ca 0.01 -1.37 -0.20 0.00 -0.41 0.00 0.00 54.97 53.00 2joq s GLU 47 Cb -0.21 -1.34 0.03 0.00 -1.78 0.00 0.00 34.13 30.84 2joq s GLU 47 CO 0.02 0.28 0.62 0.12 -0.49 0.00 0.00 175.26 175.81 2joq s PHE 48 N -1.93 3.06 -0.05 1.61 5.36 -1.26 0.30 117.98 125.06 2joq s PHE 48 Ca 0.14 -0.25 -0.09 0.00 -0.96 0.00 0.00 56.93 55.78 2joq s PHE 48 Cb -0.06 -3.37 -0.05 0.00 -0.34 0.00 0.00 43.02 39.19 2joq s PHE 48 CO 0.06 -0.92 0.39 0.87 -1.46 0.00 0.00 175.22 174.16 2joq h LYS 49 N 8.91 -0.30 -2.35 10.12 1.79 -1.30 -3.48 116.57 129.96 2joq h LYS 49 Ca -0.26 0.02 0.18 0.00 -2.18 0.00 0.00 60.65 58.41 2joq h LYS 49 Cb 1.10 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 31.74 2joq h LYS 49 CO 0.91 -0.20 0.48 1.21 -1.08 0.00 0.00 179.45 180.77 2joq s ASN 50 N -4.89 -0.17 -0.01 0.86 2.47 -1.05 -5.03 114.94 107.13 2joq s ASN 50 Ca -0.05 -0.42 -0.04 0.00 0.42 0.00 0.00 52.86 52.77 2joq s ASN 50 Cb 0.00 0.49 -0.00 0.00 -1.45 0.00 0.00 41.25 40.30 2joq s ASN 50 CO 0.14 -0.91 0.08 0.28 -3.72 0.00 0.00 177.10 172.97 2joq s THR 51 N -3.26 0.06 0.65 -5.21 -1.32 -1.26 0.17 115.64 105.46 2joq s THR 51 Ca 0.13 -0.47 -0.18 0.00 -1.21 0.00 0.00 61.69 59.96 2joq s THR 51 Cb -0.01 -0.28 -0.02 0.00 -1.51 0.00 0.00 72.50 70.68 2joq s THR 51 CO 0.03 -0.26 1.13 -0.24 -2.21 0.00 0.00 174.62 173.06 2joq n SER 52 N 2.11 1.35 -0.15 8.08 2.88 -0.45 -4.85 113.62 122.58 2joq n SER 52 Ca -0.19 0.79 0.17 0.00 -1.33 0.00 0.00 58.87 58.31 2joq n SER 52 Cb 0.57 -1.47 0.54 0.00 -0.75 0.00 0.00 64.21 63.09 2joq n SER 52 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2joq h LYS 53 N 0.36 0.34 0.00 -1.46 2.10 -2.01 0.28 116.57 116.18 2joq h LYS 53 Ca -0.50 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 2joq h LYS 53 Cb 1.35 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2joq h LYS 53 CO 0.51 0.22 0.00 -0.97 -2.00 0.00 0.00 179.45 177.22 2joq h ASN 54 N 0.35 0.00 -1.70 7.07 -0.73 -1.95 -3.47 115.58 115.15 2joq h ASN 54 Ca 0.37 0.00 -0.31 0.00 1.87 0.00 0.00 56.30 58.23 2joq h ASN 54 Cb 0.94 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.47 2joq h ASN 54 CO -0.11 0.00 -0.36 0.00 -0.37 0.00 0.00 177.43 176.59 2joq n ALA 55 N -1.80 -0.38 0.01 1.57 0.00 0.10 -4.89 120.51 115.12 2joq n ALA 55 Ca 0.04 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 2joq n ALA 55 Cb 0.36 -1.72 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 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 0.19 -5.14 0.00 3.64 -1.91 -3.46 116.57 109.90 2joq h LYS 56 Ca -0.35 -0.33 -0.66 0.00 -1.27 0.00 0.00 60.65 58.04 2joq h LYS 56 Cb 1.18 0.12 -0.28 0.00 -0.41 0.00 0.00 32.23 32.85 2joq h LYS 56 CO 0.44 1.00 -0.75 -0.06 -2.27 0.00 0.00 179.45 177.82 2joq s PHE 57 N -2.58 2.89 -0.13 1.91 0.08 -1.26 -4.42 117.98 114.47 2joq s PHE 57 Ca -0.15 -0.86 -0.02 0.00 0.12 0.00 0.00 56.93 56.02 2joq s PHE 57 Cb 0.07 -1.98 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 2joq s PHE 57 CO 0.80 -0.42 -0.07 0.71 -0.10 0.00 0.00 175.22 176.14 2joq s TYR 58 N 0.98 2.94 -0.36 0.36 2.02 0.56 -1.34 117.35 122.52 2joq s TYR 58 Ca -0.01 -0.34 -0.13 0.00 -0.37 0.00 0.00 57.07 56.22 2joq s TYR 58 Cb -0.15 -1.88 -0.00 0.00 -0.40 0.00 0.00 41.96 39.53 2joq s TYR 58 CO -0.01 -0.02 0.25 -1.12 -1.57 0.00 0.00 175.55 173.08 2joq s SER 59 N 0.14 5.99 0.35 2.29 0.01 0.13 -0.65 113.70 121.95 2joq s SER 59 Ca -0.03 -0.63 0.07 0.00 1.31 0.00 0.00 55.95 56.67 2joq s SER 59 Cb -0.14 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 2joq s SER 59 CO 0.03 -0.31 0.34 -0.36 0.41 0.00 0.00 173.24 173.36 2joq s PHE 60 N 1.68 2.92 -0.09 2.43 0.08 0.10 -0.87 117.98 124.23 2joq s PHE 60 Ca 0.05 -0.31 0.03 0.00 0.12 0.00 0.00 56.93 56.82 2joq s PHE 60 Cb -0.18 -1.89 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 2joq s PHE 60 CO 0.10 0.09 -0.18 1.21 -0.10 0.00 0.00 175.22 176.34 2joq s ASN 61 N -4.06 2.49 -0.21 1.36 2.47 0.15 -1.88 114.94 115.26 2joq s ASN 61 Ca 0.43 -0.44 -0.01 0.00 0.42 0.00 0.00 52.86 53.26 2joq s ASN 61 Cb -0.06 -1.14 0.02 0.00 -1.45 0.00 0.00 41.25 38.62 2joq s ASN 61 CO 0.28 0.08 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.92 2joq s VAL 62 N 0.63 2.60 -0.26 -5.21 1.01 -1.08 -1.82 120.40 116.27 2joq s VAL 62 Ca -0.14 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2joq s VAL 62 Cb -0.16 -2.20 0.07 0.00 0.00 0.00 0.00 36.38 34.09 2joq s VAL 62 CO 0.04 0.40 -0.01 -0.44 0.00 0.00 0.00 175.10 175.10 2joq s SER 63 N 1.34 3.96 0.06 3.32 0.01 -0.52 0.03 113.70 121.89 2joq s SER 63 Ca 0.03 -1.38 0.02 0.00 1.31 0.00 0.00 55.95 55.94 2joq s SER 63 Cb -0.14 -1.16 -0.03 0.00 0.21 0.00 0.00 66.02 64.90 2joq s SER 63 CO -0.08 -0.29 -0.08 0.00 0.41 0.00 0.00 173.24 173.20 2joq s MET 64 N 1.39 0.62 -0.19 12.44 0.23 -1.06 -0.22 119.30 132.50 2joq s MET 64 Ca -0.01 -0.89 -0.29 0.00 -1.03 0.00 0.00 55.69 53.47 2joq s MET 64 Cb -0.19 -0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 32.74 2joq s MET 64 CO -0.10 0.05 1.63 -1.21 -2.03 0.00 0.00 175.02 173.37 2joq s GLU 65 N -2.03 3.84 -0.22 3.16 2.02 -1.25 -1.10 118.70 123.13 2joq s GLU 65 Ca -0.05 1.75 -0.10 0.00 0.02 0.00 0.00 54.97 56.59 2joq s GLU 65 Cb -0.07 -4.03 -0.05 0.00 0.10 0.00 0.00 34.13 30.08 2joq s GLU 65 CO -0.00 -1.24 0.14 0.14 0.02 0.00 0.00 175.26 174.31 2joq s VAL 66 N 5.10 5.33 0.15 2.63 -7.23 -0.14 -4.90 120.40 121.34 2joq s VAL 66 Ca 0.72 0.16 -0.15 0.00 -1.81 0.00 0.00 61.98 60.91 2joq s VAL 66 Cb -0.26 -3.45 0.03 0.00 0.56 0.00 0.00 36.38 33.26 2joq s VAL 66 CO 0.29 0.40 1.76 0.28 -0.31 0.00 0.00 175.10 177.52 2joq h SER 67 N 7.03 0.60 -0.56 4.85 0.02 -1.94 -2.89 113.55 120.66 2joq h SER 67 Ca -0.39 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 2joq h SER 67 Cb 1.16 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2joq h SER 67 CO 0.71 0.52 0.00 -0.46 -1.14 0.00 0.00 176.83 176.47 2joq n ASN 68 N -4.67 0.00 -0.07 3.07 6.94 -1.26 -3.47 115.26 115.81 2joq n ASN 68 Ca 0.02 -0.72 0.11 0.00 -0.02 0.00 0.00 54.58 53.96 2joq n ASN 68 Cb 0.09 0.00 0.49 0.00 -2.36 0.00 0.00 39.78 38.00 2joq n ASN 68 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2joq h GLU 69 N 0.00 0.42 -0.38 -3.83 4.81 -1.99 -2.25 114.58 111.35 2joq h GLU 69 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2joq h GLU 69 Cb 0.00 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 2joq h GLU 69 CO 0.00 0.28 0.12 1.03 -0.73 0.00 0.00 179.01 179.71 2joq h SER 70 N 0.43 0.11 0.01 1.04 0.87 -1.99 -1.77 113.55 112.25 2joq h SER 70 Ca 0.25 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2joq h SER 70 Cb 0.43 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2joq h SER 70 CO -0.07 0.10 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.00 2joq h GLU 71 N 0.27 -0.01 0.00 2.24 3.07 -1.81 -1.47 114.58 116.87 2joq h GLU 71 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 2joq h GLU 71 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 2joq h GLU 71 CO -0.19 0.31 0.00 2.89 -1.40 0.00 0.00 179.01 180.61 2joq n ARG 72 N -4.94 0.16 -0.06 2.33 -4.01 -1.10 -1.01 116.66 108.03 2joq n ARG 72 Ca -0.08 0.58 -0.19 0.00 -1.04 0.00 0.00 57.85 57.12 2joq n ARG 72 Cb 0.18 -1.95 -0.13 0.00 -3.04 0.00 0.00 32.46 27.52 2joq n ARG 72 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 2joq h ASN 73 N 0.00 0.11 -0.40 2.89 2.35 -0.98 -3.28 115.58 116.28 2joq h ASN 73 Ca 0.00 -0.76 -0.04 0.00 -0.55 0.00 0.00 56.30 54.96 2joq h ASN 73 Cb 0.10 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 2joq h ASN 73 CO 0.00 1.38 0.09 1.05 -1.65 0.00 0.00 177.43 178.31 2joq h GLU 74 N -0.80 0.63 -0.82 0.81 4.11 -0.16 -2.91 114.58 115.46 2joq h GLU 74 Ca -0.23 -0.15 -0.04 0.00 0.07 0.00 0.00 59.36 59.01 2joq h GLU 74 Cb 1.35 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 2joq h GLU 74 CO -0.07 0.66 0.35 0.82 0.07 0.00 0.00 179.01 180.85 2joq h ILE 75 N 0.50 1.26 -0.93 -1.06 2.04 -1.28 -1.64 117.51 116.40 2joq h ILE 75 Ca 0.12 -0.78 0.12 0.00 1.00 0.00 0.00 64.86 65.32 2joq h ILE 75 Cb 0.31 0.26 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 2joq h ILE 75 CO 0.00 0.33 0.60 0.15 0.00 0.00 0.00 178.15 179.22 2joq h PHE 76 N 1.18 0.98 -0.22 1.37 3.57 -1.57 -0.25 116.94 122.00 2joq h PHE 76 Ca 0.28 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.64 2joq h PHE 76 Cb 0.18 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.60 2joq h PHE 76 CO 0.02 0.40 -0.54 1.96 -2.23 0.00 0.00 178.31 177.91 2joq h GLN 77 N 0.86 0.64 -0.77 1.11 4.20 -1.16 -3.06 115.11 116.94 2joq h GLN 77 Ca 0.46 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2joq h GLN 77 Cb 0.55 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.33 2joq h GLN 77 CO -0.22 1.02 0.49 0.87 -0.67 0.00 0.00 178.83 180.32 2joq h LYS 78 N 0.49 1.02 0.00 1.46 1.79 -0.39 -1.80 116.57 119.15 2joq h LYS 78 Ca 0.01 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2joq h LYS 78 Cb 1.10 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.53 2joq h LYS 78 CO 0.11 0.69 -0.00 0.82 -1.08 0.00 0.00 179.45 179.98 2joq h ILE 79 N 1.05 0.93 0.00 1.86 1.08 -1.21 -0.64 117.51 120.58 2joq h ILE 79 Ca 0.28 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.74 2joq h ILE 79 Cb -0.10 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 2joq h ILE 79 CO -0.06 0.00 0.00 -1.28 -0.69 0.00 0.00 178.15 176.12 2joq h SER 80 N 0.00 0.00 -0.09 1.72 0.87 -1.38 -3.27 113.55 111.41 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 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2joq h SER 80 CO 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.30 2joq n GLN 81 N -2.99 1.29 0.21 2.24 6.02 -0.25 -3.37 117.38 120.54 2joq n GLN 81 Ca 0.03 -0.44 0.11 0.00 -0.01 0.00 0.00 57.00 56.70 2joq n GLN 81 Cb 0.46 -1.26 0.19 0.00 1.02 0.00 0.00 30.24 30.65 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 0.82 0.00 0.00 1.08 3.38 -1.69 -3.47 115.31 115.43 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 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2joq h LEU 82 CO 0.00 0.06 0.00 -0.67 0.09 0.00 0.00 178.44 177.92 2joq n ASP 83 N -3.12 0.00 -0.42 -0.43 2.03 -1.22 -4.66 116.55 108.74 2joq n ASP 83 Ca 0.03 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.43 2joq n ASP 83 Cb 0.54 0.00 0.33 0.00 -0.72 0.00 0.00 41.12 41.27 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 1.54 -4.12 -0.67 5.02 -1.26 -4.82 118.16 113.86 2joq n LYS 84 Ca 0.00 -0.82 -0.35 0.00 -2.02 0.00 0.00 58.31 55.12 2joq n LYS 84 Cb 0.00 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.79 4.66 -0.21 -0.18 0.11 -1.26 -2.05 120.40 119.69 2joq s VAL 85 Ca 0.27 -0.09 0.12 0.00 -2.93 0.00 0.00 61.98 59.35 2joq s VAL 85 Cb 0.14 -3.06 -0.23 0.00 -1.53 0.00 0.00 36.38 31.70 2joq s VAL 85 CO 0.21 0.51 0.03 1.33 -3.33 0.00 0.00 175.10 173.85 2joq n VAL 86 N 3.07 1.44 -3.84 2.04 0.24 -0.15 -4.98 118.33 116.16 2joq n VAL 86 Ca -0.17 -0.77 -0.13 0.00 -2.04 0.00 0.00 64.34 61.23 2joq n VAL 86 Cb 0.53 -0.80 -0.15 0.00 -1.47 0.00 0.00 33.84 31.95 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 -2.51 -0.01 -0.12 7.34 2.00 -0.99 -5.04 119.66 120.33 2joq s GLN 87 Ca -0.17 0.06 0.00 0.00 -2.00 0.00 0.00 55.36 53.25 2joq s GLN 87 Cb 0.07 -0.08 0.02 0.00 0.80 0.00 0.00 33.01 33.82 2joq s GLN 87 CO 0.76 -0.05 -0.10 0.95 -0.50 0.00 0.00 175.29 176.35 2joq s THR 88 N 0.34 1.22 -0.13 -0.34 -4.23 -1.26 -1.11 115.64 110.13 2joq s THR 88 Ca -0.03 -0.42 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 2joq s THR 88 Cb -0.04 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.60 2joq s THR 88 CO -0.01 0.40 -0.15 -0.76 -0.54 0.00 0.00 174.62 173.56 2joq s LEU 89 N 1.53 2.55 -0.40 4.79 1.02 0.09 -5.00 118.68 123.25 2joq s LEU 89 Ca 0.03 -0.41 0.05 0.00 0.02 0.00 0.00 54.13 53.83 2joq s LEU 89 Cb -0.13 -1.57 0.32 0.00 0.02 0.00 0.00 46.19 44.83 2joq s LEU 89 CO -0.08 0.14 1.23 0.61 0.02 0.00 0.00 176.35 178.27 2joq n GLY 90 N 3.72 -0.14 0.00 -3.19 0.00 -1.26 -1.78 105.19 102.54 2joq n GLY 90 Ca -0.19 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.20 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76