#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 0.62 3.78 1.08 0.00 -1.26 -5.11 105.19 104.31 2joq n GLY 2 Ca 0.00 -0.62 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.21 3.41 0.25 1.61 -3.43 -1.26 -5.11 115.29 110.55 2joq s HIS 3 Ca 0.00 0.35 0.09 0.00 -0.80 0.00 0.00 55.06 54.70 2joq s HIS 3 Cb 0.00 -1.94 -0.04 0.00 -1.43 0.00 0.00 32.58 29.17 2joq s HIS 3 CO 0.00 0.54 0.04 -1.64 -2.00 0.00 0.00 174.74 171.69 2joq s MET 4 N -0.67 2.45 1.03 -0.38 -1.94 -1.26 -5.12 119.30 113.41 2joq s MET 4 Ca 0.12 -1.30 -0.12 0.00 -1.71 0.00 0.00 55.69 52.67 2joq s MET 4 Cb -0.12 -2.27 0.17 0.00 2.01 0.00 0.00 34.83 34.62 2joq s MET 4 CO 0.02 0.38 0.85 -2.30 -0.01 0.00 0.00 175.02 173.96 2joq n PRO 5 N -0.89 -1.23 -0.17 2.03 -0.02 -1.26 -5.04 135.00 128.42 2joq n PRO 5 Ca -0.07 -0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.10 2joq n PRO 5 Cb 0.58 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2joq n PRO 5 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2joq n SER 6 N -3.70 0.00 -0.28 2.55 2.88 -0.94 -4.97 113.62 109.15 2joq n SER 6 Ca 0.07 -0.85 -0.06 0.00 -1.33 0.00 0.00 58.87 56.70 2joq n SER 6 Cb 0.54 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.06 2joq n SER 6 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2joq h ASP 7 N 0.00 1.06 0.00 -3.46 3.58 -1.96 -3.40 116.42 112.24 2joq h ASP 7 Ca 0.00 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2joq h ASP 7 Cb 0.00 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.78 2joq h ASP 7 CO 0.00 0.93 0.00 -1.54 -2.88 0.00 0.00 179.24 175.75 2joq n SER 8 N -4.32 0.00 -4.76 2.28 3.41 -1.26 -5.10 113.62 103.87 2joq n SER 8 Ca 0.07 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.27 2joq n SER 8 Cb 0.17 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 2joq n SER 8 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2joq s LYS 9 N -0.57 4.49 -0.33 4.33 1.02 -1.26 -4.15 119.74 123.27 2joq s LYS 9 Ca 0.00 2.02 -0.09 0.00 0.02 0.00 0.00 55.97 57.92 2joq s LYS 9 Cb 0.00 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 2joq s LYS 9 CO 0.00 0.01 0.42 1.63 -0.92 0.00 0.00 175.35 176.49 2joq n LYS 10 N 1.00 -1.50 -1.58 1.68 4.76 -1.26 -2.22 118.16 119.05 2joq n LYS 10 Ca -0.01 1.53 -0.30 0.00 -2.87 0.00 0.00 58.31 56.67 2joq n LYS 10 Cb 0.43 -4.37 0.10 0.00 -1.84 0.00 0.00 35.03 29.35 2joq n LYS 10 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2joq s PRO 11 N -2.27 1.90 -0.42 1.97 0.02 -1.26 -4.55 135.00 130.39 2joq s PRO 11 Ca 0.14 0.52 -0.19 0.00 0.02 0.00 0.00 61.00 61.49 2joq s PRO 11 Cb -0.04 -1.91 0.02 0.00 0.02 0.00 0.00 34.50 32.59 2joq s PRO 11 CO 0.52 -1.72 0.56 0.99 -0.33 0.00 0.00 177.00 177.02 2joq s THR 12 N -3.21 4.94 -0.18 0.99 2.01 -1.26 -5.05 115.64 113.87 2joq s THR 12 Ca 0.61 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.55 2joq s THR 12 Cb -0.14 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2joq s THR 12 CO 0.54 -0.48 0.10 -0.63 -0.69 0.00 0.00 174.62 173.45 2joq s ILE 13 N 2.55 5.10 -0.38 1.82 -1.09 -1.26 -5.07 121.20 122.86 2joq s ILE 13 Ca 0.19 0.07 -0.18 0.00 -2.23 0.00 0.00 60.65 58.50 2joq s ILE 13 Cb -0.15 -3.30 0.01 0.00 -1.58 0.00 0.00 42.46 37.43 2joq s ILE 13 CO 0.16 0.47 0.52 -0.63 -1.23 0.00 0.00 174.94 174.23 2joq s ILE 14 N 0.20 5.00 0.12 2.92 -1.09 -1.26 -5.06 121.20 122.02 2joq s ILE 14 Ca 0.07 0.16 -0.00 0.00 -2.23 0.00 0.00 60.65 58.64 2joq s ILE 14 Cb -0.12 -4.02 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 2joq s ILE 14 CO -0.00 -0.32 0.28 -0.31 -1.23 0.00 0.00 174.94 173.36 2joq s TYR 15 N 2.41 3.50 0.48 3.97 1.51 -1.26 -4.19 117.35 123.77 2joq s TYR 15 Ca 0.18 0.29 -0.13 0.00 -1.01 0.00 0.00 57.07 56.39 2joq s TYR 15 Cb -0.16 -1.79 -0.07 0.00 -0.11 0.00 0.00 41.96 39.83 2joq s TYR 15 CO 0.14 0.52 0.90 -1.25 -1.11 0.00 0.00 175.55 174.75 2joq s PRO 16 N -2.82 3.84 0.12 -1.71 0.05 -1.25 -5.02 135.00 128.21 2joq s PRO 16 Ca 0.36 0.73 -0.24 0.00 0.05 0.00 0.00 61.00 61.90 2joq s PRO 16 Cb -0.12 -2.24 0.07 0.00 0.05 0.00 0.00 34.50 32.27 2joq s PRO 16 CO 0.28 -0.20 0.64 0.00 0.05 0.00 0.00 177.00 177.76 2joq s LEU 18 N -2.56 3.39 -0.03 0.00 1.43 -1.26 -1.15 118.68 118.50 2joq s LEU 18 Ca 0.00 0.82 -0.09 0.00 -1.03 0.00 0.00 54.13 53.83 2joq s LEU 18 Cb -0.01 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.25 2joq s LEU 18 CO -0.10 -2.19 0.28 0.86 0.23 0.00 0.00 176.35 175.43 2joq s TRP 19 N 8.66 3.63 -0.14 0.29 -0.11 0.43 -4.86 118.94 126.83 2joq s TRP 19 Ca 0.76 0.70 -0.14 0.00 1.22 0.00 0.00 56.10 58.64 2joq s TRP 19 Cb -0.17 -2.08 -0.05 0.00 -1.50 0.00 0.00 33.47 29.68 2joq s TRP 19 CO 0.26 0.65 0.33 -0.51 -4.62 0.00 0.00 176.95 173.06 2joq s ASP 20 N -1.32 6.49 -0.25 5.86 1.11 -1.26 -2.31 116.67 124.99 2joq s ASP 20 Ca 0.23 0.58 0.01 0.00 0.18 0.00 0.00 52.55 53.56 2joq s ASP 20 Cb -0.14 -2.20 0.06 0.00 1.07 0.00 0.00 42.92 41.71 2joq s ASP 20 CO 0.12 0.10 -0.06 -0.31 1.18 0.00 0.00 175.17 176.20 2joq s TYR 21 N 0.39 2.64 -0.37 4.23 2.02 0.94 -4.67 117.35 122.52 2joq s TYR 21 Ca 0.18 -1.93 -0.23 0.00 -0.37 0.00 0.00 57.07 54.72 2joq s TYR 21 Cb -0.13 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 2joq s TYR 21 CO 0.05 -0.81 0.75 0.50 -1.57 0.00 0.00 175.55 174.48 2joq s ARG 22 N 1.31 3.69 -0.17 -0.62 6.06 -0.08 -0.83 118.95 128.33 2joq s ARG 22 Ca -0.06 0.21 -0.05 0.00 -2.50 0.00 0.00 55.73 53.33 2joq s ARG 22 Cb -0.19 -3.83 -0.03 0.00 0.06 0.00 0.00 34.95 30.96 2joq s ARG 22 CO -0.06 -0.86 -0.00 0.08 -2.50 0.00 0.00 175.30 171.95 2joq s VAL 23 N 3.04 4.18 -0.23 7.11 1.01 -0.17 -0.44 120.40 134.89 2joq s VAL 23 Ca 0.30 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.04 2joq s VAL 23 Cb -0.13 -2.85 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2joq s VAL 23 CO 0.17 0.48 -0.12 -0.63 0.00 0.00 0.00 175.10 175.00 2joq s ILE 24 N 0.41 1.98 0.43 2.22 1.01 -0.14 0.21 121.20 127.33 2joq s ILE 24 Ca -0.02 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.33 2joq s ILE 24 Cb -0.14 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 2joq s ILE 24 CO 0.02 0.09 0.02 -0.04 0.00 0.00 0.00 174.94 175.04 2joq s MET 25 N 1.22 2.03 -0.17 2.79 -1.94 -0.51 -0.90 119.30 121.81 2joq s MET 25 Ca -0.05 -2.16 0.12 0.00 -1.71 0.00 0.00 55.69 51.89 2joq s MET 25 Cb -0.18 -1.64 0.64 0.00 2.01 0.00 0.00 34.83 35.66 2joq s MET 25 CO -0.07 -0.12 1.49 0.25 -0.01 0.00 0.00 175.02 176.55 2joq n THR 26 N -1.05 2.09 -3.87 2.05 -2.24 -0.64 -0.28 114.28 110.33 2joq n THR 26 Ca -0.08 -1.09 -0.09 0.00 -2.27 0.00 0.00 64.05 60.53 2joq n THR 26 Cb 0.67 -0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 -2.31 0.11 -0.94 4.28 -1.32 -1.26 -4.83 115.64 109.36 2joq s THR 27 Ca 0.43 -1.18 0.24 0.00 -1.21 0.00 0.00 61.69 59.97 2joq s THR 27 Cb 0.32 -1.50 -0.02 0.00 -1.51 0.00 0.00 72.50 69.79 2joq s THR 27 CO 0.14 -0.48 1.33 0.29 -2.21 0.00 0.00 174.62 173.68 2joq n LYS 28 N -0.14 0.05 -2.45 7.08 5.02 -1.26 -4.62 118.16 121.84 2joq n LYS 28 Ca -0.12 0.01 -0.38 0.00 -2.02 0.00 0.00 58.31 55.79 2joq n LYS 28 Cb 0.63 -1.52 -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 -3.17 6.27 -0.60 4.39 2.15 -1.26 -4.91 116.67 119.55 2joq s ASP 29 Ca 0.10 -1.64 -0.19 0.00 0.43 0.00 0.00 52.55 51.25 2joq s ASP 29 Cb 0.17 -2.57 0.11 0.00 -0.30 0.00 0.00 42.92 40.32 2joq s ASP 29 CO 0.73 -1.73 0.70 0.28 -0.17 0.00 0.00 175.17 174.98 2joq s THR 30 N 6.03 4.85 0.11 1.71 -1.32 -1.26 -4.77 115.64 120.99 2joq s THR 30 Ca 0.54 -1.05 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 2joq s THR 30 Cb 0.00 -4.49 0.00 0.00 -1.51 0.00 0.00 72.50 66.50 2joq s THR 30 CO -0.02 -1.12 0.00 -0.24 -2.21 0.00 0.00 174.62 171.03 2joq n SER 31 N 6.26 0.59 -0.32 8.08 2.88 -1.26 -4.65 113.62 125.20 2joq n SER 31 Ca -0.09 0.17 0.22 0.00 -1.33 0.00 0.00 58.87 57.84 2joq n SER 31 Cb 0.42 -0.11 0.50 0.00 -0.75 0.00 0.00 64.21 64.27 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 0.53 -0.12 2.46 2.02 -1.98 0.13 112.91 115.94 2joq h THR 32 Ca 0.00 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.06 2joq h THR 32 Cb 0.00 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 2joq h THR 32 CO 0.00 0.07 0.02 0.25 0.37 0.00 0.00 175.52 176.23 2joq h LEU 33 N 0.40 0.00 -0.34 2.58 5.85 -1.93 -2.52 115.31 119.35 2joq h LEU 33 Ca 0.59 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 59.31 2joq h LEU 33 Cb 1.49 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 2joq h LEU 33 CO -0.30 0.02 0.14 0.11 -0.34 0.00 0.00 178.44 178.07 2joq h LYS 34 N 0.07 0.51 -0.30 1.25 1.57 -1.06 -2.98 116.57 115.64 2joq h LYS 34 Ca 0.05 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 2joq h LYS 34 Cb 0.05 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.21 2joq h LYS 34 CO -0.08 0.50 -0.15 0.93 -0.57 0.00 0.00 179.45 180.09 2joq h GLU 35 N 0.41 -0.10 -0.07 3.15 4.39 -1.01 0.68 114.58 122.03 2joq h GLU 35 Ca 0.12 0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.75 2joq h GLU 35 Cb 0.18 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2joq h GLU 35 CO -0.01 -0.06 -0.27 1.37 -1.16 0.00 0.00 179.01 178.88 2joq h LEU 36 N -0.10 0.11 -0.33 1.33 8.10 -1.46 -2.43 115.31 120.54 2joq h LEU 36 Ca 0.16 -0.03 -0.17 0.00 0.11 0.00 0.00 57.88 57.95 2joq h LEU 36 Cb 0.34 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 40.53 2joq h LEU 36 CO -0.37 0.39 -0.46 -0.07 -4.11 0.00 0.00 178.44 173.82 2joq h LEU 37 N 0.10 0.97 -1.14 0.17 3.38 -0.97 -3.18 115.31 114.65 2joq h LEU 37 Ca 0.02 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2joq h LEU 37 Cb 0.54 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2joq h LEU 37 CO 0.04 1.28 0.00 -0.33 0.09 0.00 0.00 178.44 179.52 2joq h GLU 38 N 0.69 0.00 0.00 1.13 5.08 -0.47 -2.61 114.58 118.40 2joq h GLU 38 Ca 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2joq h GLU 38 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 2joq h GLU 38 CO 0.11 0.00 -0.13 1.79 -1.00 0.00 0.00 179.01 179.78 2joq h THR 39 N 0.00 0.74 0.00 1.13 1.35 -1.45 0.14 112.91 114.82 2joq h THR 39 Ca 0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 2joq h THR 39 Cb 0.60 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 2joq h THR 39 CO 0.00 0.13 0.00 -1.22 -0.25 0.00 0.00 175.52 174.18 2joq n TYR 40 N -3.86 0.00 -1.45 4.73 4.02 -0.98 -4.88 117.16 114.73 2joq n TYR 40 Ca -0.02 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.72 2joq n TYR 40 Cb 0.23 -0.40 -0.07 0.00 -0.02 0.00 0.00 39.34 39.08 2joq n TYR 40 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2joq n GLN 41 N -1.40 -1.16 -4.26 -0.72 1.13 0.49 -4.98 117.38 106.47 2joq n GLN 41 Ca 0.08 1.04 -0.27 0.00 -1.94 0.00 0.00 57.00 55.91 2joq n GLN 41 Cb 0.24 -5.23 -0.09 0.00 0.11 0.00 0.00 30.24 25.27 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 -3.28 2.17 0.63 -1.09 1.70 -1.26 -5.10 118.95 112.72 2joq s ARG 42 Ca 0.00 -1.19 -0.14 0.00 -0.47 0.00 0.00 55.73 53.93 2joq s ARG 42 Cb 0.00 -2.24 -0.02 0.00 -0.57 0.00 0.00 34.95 32.12 2joq s ARG 42 CO 0.00 0.45 1.05 -1.25 -1.08 0.00 0.00 175.30 174.48 2joq s PRO 43 N -2.78 3.20 0.04 3.89 0.04 -1.26 -4.70 135.00 133.43 2joq s PRO 43 Ca 0.25 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.28 2joq s PRO 43 Cb -0.09 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.44 2joq s PRO 43 CO 0.16 -0.90 0.23 -0.59 0.04 0.00 0.00 177.00 175.95 2joq s PHE 44 N -2.68 -0.00 -0.45 0.56 -0.71 -1.26 -4.14 117.98 109.29 2joq s PHE 44 Ca 0.61 -0.19 -0.16 0.00 -1.04 0.00 0.00 56.93 56.15 2joq s PHE 44 Cb -0.15 0.02 0.05 0.00 -1.21 0.00 0.00 43.02 41.73 2joq s PHE 44 CO 0.43 -0.46 0.41 0.21 -1.34 0.00 0.00 175.22 174.48 2joq s LYS 45 N -2.58 3.02 -0.27 1.99 2.47 0.72 -4.93 119.74 120.16 2joq s LYS 45 Ca -0.05 -1.11 -0.10 0.00 -1.56 0.00 0.00 55.97 53.15 2joq s LYS 45 Cb -0.01 -4.07 -0.04 0.00 -1.46 0.00 0.00 37.83 32.26 2joq s LYS 45 CO -0.04 -0.96 0.15 -1.17 0.16 0.00 0.00 175.35 173.49 2joq s LEU 46 N 1.88 3.85 0.00 5.43 2.96 -1.26 -1.15 118.68 130.39 2joq s LEU 46 Ca 0.07 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 2joq s LEU 46 Cb -0.21 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2joq s LEU 46 CO 0.09 -0.06 -0.02 -1.61 -1.32 0.00 0.00 176.35 173.43 2joq s GLU 47 N 1.70 0.18 -0.23 1.98 2.02 -0.46 -5.00 118.70 118.88 2joq s GLU 47 Ca 0.07 -0.18 -0.22 0.00 0.02 0.00 0.00 54.97 54.65 2joq s GLU 47 Cb -0.16 -0.10 -0.02 0.00 0.10 0.00 0.00 34.13 33.96 2joq s GLU 47 CO 0.08 0.02 0.69 0.12 0.02 0.00 0.00 175.26 176.20 2joq s PHE 48 N -0.34 3.32 -0.08 1.61 5.36 -1.26 -0.14 117.98 126.45 2joq s PHE 48 Ca -0.03 0.95 -0.03 0.00 -0.96 0.00 0.00 56.93 56.86 2joq s PHE 48 Cb -0.03 -2.90 -0.01 0.00 -0.34 0.00 0.00 43.02 39.75 2joq s PHE 48 CO -0.00 -0.30 -0.07 0.87 -1.46 0.00 0.00 175.22 174.26 2joq h LYS 49 N 7.71 0.00 -1.78 10.12 1.79 -1.27 -3.48 116.57 129.65 2joq h LYS 49 Ca -0.27 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.39 2joq h LYS 49 Cb 1.12 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.59 2joq h LYS 49 CO 0.80 0.00 0.68 1.21 -1.08 0.00 0.00 179.45 181.06 2joq s ASN 50 N -4.86 -0.23 0.25 0.86 2.47 -1.16 -5.04 114.94 107.23 2joq s ASN 50 Ca -0.05 0.02 -0.16 0.00 0.42 0.00 0.00 52.86 53.09 2joq s ASN 50 Cb 0.01 0.24 -0.08 0.00 -1.45 0.00 0.00 41.25 39.97 2joq s ASN 50 CO 0.08 -0.38 0.68 0.28 -3.72 0.00 0.00 177.10 174.04 2joq s THR 51 N -2.59 4.70 1.36 -5.21 -1.32 -1.26 -0.65 115.64 110.66 2joq s THR 51 Ca 0.07 0.99 -0.22 0.00 -1.21 0.00 0.00 61.69 61.32 2joq s THR 51 Cb -0.01 -3.72 0.34 0.00 -1.51 0.00 0.00 72.50 67.61 2joq s THR 51 CO -0.06 0.03 0.77 -0.24 -2.21 0.00 0.00 174.62 172.91 2joq n SER 52 N 0.23 -3.97 0.30 8.08 2.88 0.15 -4.82 113.62 116.46 2joq n SER 52 Ca -0.00 -0.78 0.20 0.00 -1.33 0.00 0.00 58.87 56.96 2joq n SER 52 Cb 0.52 -0.93 1.03 0.00 -0.75 0.00 0.00 64.21 64.08 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 0.00 0.00 -5.78 -1.46 1.57 -1.98 -3.38 116.57 105.55 2joq h LYS 53 Ca -0.35 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.83 2joq h LYS 53 Cb 1.19 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.19 2joq h LYS 53 CO 0.21 0.00 -0.85 1.21 -0.57 0.00 0.00 179.45 179.45 2joq s ASN 54 N -5.10 2.39 0.00 0.86 3.84 -1.26 -5.01 114.94 110.65 2joq s ASN 54 Ca -0.03 -0.38 0.01 0.00 0.21 0.00 0.00 52.86 52.67 2joq s ASN 54 Cb 0.11 -0.43 0.05 0.00 -0.55 0.00 0.00 41.25 40.44 2joq s ASN 54 CO 0.41 0.22 0.89 0.00 -2.79 0.00 0.00 177.10 175.83 2joq n ALA 55 N 2.79 1.20 -0.11 1.71 0.00 -1.26 -2.33 120.51 122.50 2joq n ALA 55 Ca -0.16 -0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.44 2joq n ALA 55 Cb 0.53 -1.02 0.57 0.00 0.00 0.00 0.00 19.45 19.53 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 0.27 -6.34 0.00 3.64 -1.94 -3.42 116.57 108.79 2joq h LYS 56 Ca 0.00 -0.02 -0.64 0.00 -1.27 0.00 0.00 60.65 58.72 2joq h LYS 56 Cb 0.01 -0.06 -0.28 0.00 -0.41 0.00 0.00 32.23 31.49 2joq h LYS 56 CO 0.00 0.18 -0.87 -0.06 -2.27 0.00 0.00 179.45 176.43 2joq s PHE 57 N -5.28 2.06 -0.04 1.91 0.08 -0.99 -4.37 117.98 111.36 2joq s PHE 57 Ca -0.07 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.64 2joq s PHE 57 Cb 0.20 -1.28 -0.01 0.00 -0.57 0.00 0.00 43.02 41.36 2joq s PHE 57 CO 0.75 0.03 -0.21 0.71 -0.10 0.00 0.00 175.22 176.41 2joq s TYR 58 N -0.66 2.01 -0.29 0.36 2.02 0.61 -0.68 117.35 120.72 2joq s TYR 58 Ca 0.09 -0.56 -0.08 0.00 -0.37 0.00 0.00 57.07 56.16 2joq s TYR 58 Cb -0.09 -1.33 -0.00 0.00 -0.40 0.00 0.00 41.96 40.14 2joq s TYR 58 CO 0.00 -0.17 0.10 -1.12 -1.57 0.00 0.00 175.55 172.80 2joq s SER 59 N -0.12 5.26 0.35 2.29 0.01 0.18 -1.43 113.70 120.24 2joq s SER 59 Ca -0.02 -0.55 0.07 0.00 1.31 0.00 0.00 55.95 56.77 2joq s SER 59 Cb -0.12 -1.93 -0.02 0.00 0.21 0.00 0.00 66.02 64.16 2joq s SER 59 CO 0.02 -0.16 0.33 -0.36 0.41 0.00 0.00 173.24 173.48 2joq s PHE 60 N 1.56 2.90 -0.04 2.43 0.08 0.13 -0.77 117.98 124.28 2joq s PHE 60 Ca 0.04 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 56.78 2joq s PHE 60 Cb -0.17 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.44 2joq s PHE 60 CO 0.04 0.12 -0.02 1.21 -0.10 0.00 0.00 175.22 176.47 2joq s ASN 61 N -4.03 0.66 -0.19 1.36 2.47 0.81 -1.00 114.94 115.01 2joq s ASN 61 Ca 0.42 -0.07 0.01 0.00 0.42 0.00 0.00 52.86 53.64 2joq s ASN 61 Cb -0.06 -0.32 0.02 0.00 -1.45 0.00 0.00 41.25 39.44 2joq s ASN 61 CO 0.27 -0.08 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.71 2joq s VAL 62 N 0.98 2.23 -0.30 -5.21 1.01 -0.01 -1.36 120.40 117.75 2joq s VAL 62 Ca -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 60.93 2joq s VAL 62 Cb -0.14 -1.99 0.07 0.00 0.00 0.00 0.00 36.38 34.32 2joq s VAL 62 CO -0.01 0.46 -0.03 -0.44 0.00 0.00 0.00 175.10 175.08 2joq s SER 63 N 1.29 4.68 0.18 3.32 0.01 -0.30 -0.04 113.70 122.84 2joq s SER 63 Ca 0.04 -1.59 0.07 0.00 1.31 0.00 0.00 55.95 55.78 2joq s SER 63 Cb -0.14 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 2joq s SER 63 CO -0.11 -0.28 -0.15 0.00 0.41 0.00 0.00 173.24 173.12 2joq s MET 64 N 1.09 1.26 -0.50 12.44 0.23 -0.98 -0.20 119.30 132.64 2joq s MET 64 Ca -0.02 -1.51 -0.29 0.00 -1.03 0.00 0.00 55.69 52.84 2joq s MET 64 Cb -0.20 -1.08 0.03 0.00 -1.53 0.00 0.00 34.83 32.05 2joq s MET 64 CO -0.05 0.19 1.19 -1.21 -2.03 0.00 0.00 175.02 173.11 2joq s GLU 65 N -3.41 3.63 -0.09 3.16 2.02 -1.26 -0.43 118.70 122.33 2joq s GLU 65 Ca 0.19 0.51 -0.21 0.00 0.02 0.00 0.00 54.97 55.48 2joq s GLU 65 Cb -0.02 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 2joq s GLU 65 CO 0.06 -1.51 0.61 0.14 0.02 0.00 0.00 175.26 174.58 2joq s VAL 66 N 4.76 5.10 0.12 2.63 -7.23 -0.30 -4.78 120.40 120.70 2joq s VAL 66 Ca 0.48 1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 61.70 2joq s VAL 66 Cb -0.08 -3.95 -0.06 0.00 0.56 0.00 0.00 36.38 32.85 2joq s VAL 66 CO 0.30 0.28 1.74 -1.28 -0.31 0.00 0.00 175.10 175.84 2joq h SER 67 N 6.73 0.29 -3.07 4.85 0.87 -1.94 -3.12 113.55 118.16 2joq h SER 67 Ca -0.41 -0.05 -0.11 0.00 -1.23 0.00 0.00 61.79 59.99 2joq h SER 67 Cb 1.19 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2joq h SER 67 CO 0.75 0.26 0.11 -0.46 -0.53 0.00 0.00 176.83 176.96 2joq n ASN 68 N -4.89 -1.71 0.13 6.23 0.23 -1.26 -3.97 115.26 110.02 2joq n ASN 68 Ca -0.03 -2.48 -0.00 0.00 -0.53 0.00 0.00 54.58 51.54 2joq n ASN 68 Cb 0.05 2.93 0.27 0.00 -2.08 0.00 0.00 39.78 40.95 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 0.15 -0.10 -3.83 4.22 -1.98 -1.76 114.58 111.28 2joq h GLU 69 Ca -0.27 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.04 2joq h GLU 69 Cb 1.06 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2joq h GLU 69 CO 0.35 0.53 -0.18 1.03 -2.18 0.00 0.00 179.01 178.56 2joq h SER 70 N 0.13 0.34 -0.76 1.04 0.87 -2.00 -2.52 113.55 110.64 2joq h SER 70 Ca 0.01 -0.55 -0.02 0.00 -1.23 0.00 0.00 61.79 60.01 2joq h SER 70 Cb 0.78 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 2joq h SER 70 CO 0.06 0.82 0.42 -0.08 -0.53 0.00 0.00 176.83 177.52 2joq h GLU 71 N -0.14 1.07 -0.55 2.24 4.81 -1.94 -1.47 114.58 118.59 2joq h GLU 71 Ca 0.01 -0.13 0.08 0.00 -0.13 0.00 0.00 59.36 59.19 2joq h GLU 71 Cb 0.76 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 2joq h GLU 71 CO 0.04 0.79 0.20 -0.09 -0.73 0.00 0.00 179.01 179.23 2joq h ARG 72 N 1.06 0.37 -0.73 1.92 1.12 -1.26 0.10 114.38 116.96 2joq h ARG 72 Ca 0.27 -0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 59.07 2joq h ARG 72 Cb 0.04 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 29.88 2joq h ARG 72 CO -0.04 0.25 0.26 -0.91 -3.11 0.00 0.00 179.97 176.41 2joq h ASN 73 N 0.38 1.02 0.06 -3.80 2.35 -0.95 -2.53 115.58 112.12 2joq h ASN 73 Ca 0.27 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2joq h ASN 73 Cb 0.31 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2joq h ASN 73 CO -0.28 0.92 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.32 2joq h GLU 74 N 1.07 -0.08 -0.89 0.81 4.81 -0.24 -2.98 114.58 117.08 2joq h GLU 74 Ca 0.24 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.55 2joq h GLU 74 Cb 0.25 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.58 2joq h GLU 74 CO -0.01 0.12 0.55 0.82 -0.73 0.00 0.00 179.01 179.75 2joq h ILE 75 N -0.27 1.00 -0.74 2.32 2.04 -0.70 0.79 117.51 121.95 2joq h ILE 75 Ca -0.01 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.62 2joq h ILE 75 Cb 0.24 -0.04 -0.08 0.00 -0.74 0.00 0.00 36.82 36.20 2joq h ILE 75 CO 0.01 0.17 0.37 0.15 0.00 0.00 0.00 178.15 178.86 2joq h PHE 76 N 0.96 0.66 -0.37 1.37 3.57 -1.40 -0.20 116.94 121.53 2joq h PHE 76 Ca 0.41 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.81 2joq h PHE 76 Cb 0.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2joq h PHE 76 CO -0.03 0.22 -0.25 1.96 -2.23 0.00 0.00 178.31 177.99 2joq h GLN 77 N 0.61 0.82 -0.66 1.11 4.20 -0.82 -3.12 115.11 117.25 2joq h GLN 77 Ca 0.37 -0.39 0.03 0.00 0.06 0.00 0.00 58.65 58.72 2joq h GLN 77 Cb 0.42 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2joq h GLN 77 CO -0.29 1.02 0.41 0.87 -0.67 0.00 0.00 178.83 180.18 2joq h LYS 78 N 0.61 0.78 0.00 1.46 1.79 -0.14 -2.44 116.57 118.63 2joq h LYS 78 Ca 0.07 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 2joq h LYS 78 Cb 0.82 -0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.29 2joq h LYS 78 CO 0.07 0.51 -0.14 0.82 -1.08 0.00 0.00 179.45 179.63 2joq h ILE 79 N 0.80 1.07 -0.19 1.86 2.04 -1.01 -1.08 117.51 121.00 2joq h ILE 79 Ca 0.27 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2joq h ILE 79 Cb 0.03 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 2joq h ILE 79 CO -0.11 0.13 0.00 -1.54 0.00 0.00 0.00 178.15 176.63 2joq n SER 80 N -4.34 1.05 -1.43 1.72 3.41 -0.92 -3.59 113.62 109.53 2joq n SER 80 Ca -0.03 -1.98 0.11 0.00 -0.26 0.00 0.00 58.87 56.71 2joq n SER 80 Cb 0.21 -0.13 0.33 0.00 -0.26 0.00 0.00 64.21 64.36 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 0.07 3.08 0.17 4.33 6.02 -0.41 -4.21 117.38 126.44 2joq n GLN 81 Ca 0.07 -2.68 0.05 0.00 -0.01 0.00 0.00 57.00 54.43 2joq n GLN 81 Cb 0.17 -1.69 0.17 0.00 1.02 0.00 0.00 30.24 29.91 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 -1.75 -3.47 115.31 118.69 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 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2joq h LEU 82 CO 0.09 0.39 0.00 -0.67 0.09 0.00 0.00 178.44 178.35 2joq n ASP 83 N -3.29 0.00 0.00 -0.43 2.03 -1.26 -4.49 116.55 109.11 2joq n ASP 83 Ca 0.01 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.41 2joq n ASP 83 Cb 0.63 0.00 0.43 0.00 -0.72 0.00 0.00 41.12 41.45 2joq n ASP 83 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2joq n LYS 84 N 0.00 0.23 -3.40 -0.67 2.85 -1.26 -4.72 118.16 111.19 2joq n LYS 84 Ca 0.00 0.13 -0.38 0.00 -1.05 0.00 0.00 58.31 57.01 2joq n LYS 84 Cb 0.00 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.82 2joq n LYS 84 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2joq s VAL 85 N -2.59 4.92 -0.05 0.58 0.11 -1.26 -1.62 120.40 120.50 2joq s VAL 85 Ca 0.16 0.99 0.10 0.00 -2.93 0.00 0.00 61.98 60.30 2joq s VAL 85 Cb 0.11 -3.79 -0.15 0.00 -1.53 0.00 0.00 36.38 31.02 2joq s VAL 85 CO 0.26 0.56 0.16 1.33 -3.33 0.00 0.00 175.10 174.08 2joq n VAL 86 N 1.86 0.26 -3.72 2.04 0.24 -0.08 -4.97 118.33 113.96 2joq n VAL 86 Ca -0.12 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.34 61.74 2joq n VAL 86 Cb 0.52 -0.12 -0.10 0.00 -1.47 0.00 0.00 33.84 32.66 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 -2.55 0.45 -0.07 7.34 2.00 -1.03 -5.05 119.66 120.75 2joq s GLN 87 Ca -0.04 0.64 0.02 0.00 -2.00 0.00 0.00 55.36 53.97 2joq s GLN 87 Cb 0.05 0.15 0.01 0.00 0.80 0.00 0.00 33.01 34.03 2joq s GLN 87 CO 0.43 -0.09 -0.11 0.95 -0.50 0.00 0.00 175.29 175.97 2joq s THR 88 N 0.60 1.07 -0.35 -0.34 -4.23 -1.26 -0.96 115.64 110.16 2joq s THR 88 Ca -0.03 -0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 60.03 2joq s THR 88 Cb -0.05 -0.99 0.08 0.00 1.34 0.00 0.00 72.50 72.88 2joq s THR 88 CO -0.04 0.34 0.10 -0.76 -0.54 0.00 0.00 174.62 173.73 2joq s LEU 89 N 0.74 4.60 0.00 4.79 2.01 0.42 -4.90 118.68 126.34 2joq s LEU 89 Ca -0.13 -1.68 0.19 0.00 0.01 0.00 0.00 54.13 52.52 2joq s LEU 89 Cb -0.15 -1.77 0.03 0.00 0.01 0.00 0.00 46.19 44.31 2joq s LEU 89 CO 0.03 -0.40 0.99 0.61 1.01 0.00 0.00 176.35 178.59 2joq n GLY 90 N 4.59 0.12 0.00 -3.19 0.00 -1.26 -0.90 105.19 104.55 2joq n GLY 90 Ca -0.07 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.40 2joq n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18