#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 -1.48 3.05 2.61 0.00 -1.26 -5.03 105.19 103.09 2joq n GLY 2 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.44 0.17 0.68 1.61 -3.43 -1.26 -5.16 115.29 106.46 2joq s HIS 3 Ca 0.00 -0.37 -0.13 0.00 -0.80 0.00 0.00 55.06 53.75 2joq s HIS 3 Cb 0.00 -0.13 0.01 0.00 -1.43 0.00 0.00 32.58 31.03 2joq s HIS 3 CO 0.00 -0.26 1.09 -1.64 -2.00 0.00 0.00 174.74 171.93 2joq s MET 4 N -1.64 2.77 1.23 -0.38 -1.94 -1.26 -5.05 119.30 113.03 2joq s MET 4 Ca -0.14 1.24 -0.21 0.00 -1.71 0.00 0.00 55.69 54.88 2joq s MET 4 Cb -0.07 -1.96 0.32 0.00 2.01 0.00 0.00 34.83 35.13 2joq s MET 4 CO -0.01 -1.25 0.79 -2.30 -0.01 0.00 0.00 175.02 172.24 2joq n PRO 5 N -2.72 -4.18 -0.37 2.03 -0.02 -1.26 -4.93 135.00 123.55 2joq n PRO 5 Ca 0.09 -1.31 0.09 0.00 -2.02 0.00 0.00 63.50 60.35 2joq n PRO 5 Cb 0.53 -1.59 0.27 0.00 -0.02 0.00 0.00 33.50 32.68 2joq n PRO 5 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2joq n SER 6 N -5.28 3.41 -4.81 2.55 7.64 -1.26 -4.93 113.62 110.94 2joq n SER 6 Ca 0.12 -2.14 -0.35 0.00 1.01 0.00 0.00 58.87 57.52 2joq n SER 6 Cb 0.52 -0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 63.21 2joq n SER 6 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2joq s ASP 7 N -0.92 7.09 -1.54 6.43 -1.08 -1.26 -3.43 116.67 121.95 2joq s ASP 7 Ca 0.39 1.69 0.00 0.00 -0.52 0.00 0.00 52.55 54.12 2joq s ASP 7 Cb 0.23 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.15 2joq s ASP 7 CO 0.24 -0.21 0.00 -1.20 0.52 0.00 0.00 175.17 174.52 2joq n SER 8 N -0.06 -5.07 -4.70 -0.34 7.64 -1.26 -4.93 113.62 104.90 2joq n SER 8 Ca 0.04 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.57 2joq n SER 8 Cb 0.52 -4.15 -0.03 0.00 -1.01 0.00 0.00 64.21 59.54 2joq n SER 8 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2joq s LYS 9 N -4.60 4.20 0.05 1.43 2.47 -1.22 -4.95 119.74 117.13 2joq s LYS 9 Ca 0.00 2.34 -0.30 0.00 -1.56 0.00 0.00 55.97 56.45 2joq s LYS 9 Cb 0.00 -3.49 -0.09 0.00 -1.46 0.00 0.00 37.83 32.80 2joq s LYS 9 CO 0.00 -0.70 1.78 0.15 0.16 0.00 0.00 175.35 176.74 2joq s LYS 10 N 2.27 4.16 0.61 4.03 3.01 -1.26 -4.97 119.74 127.60 2joq s LYS 10 Ca 0.73 2.45 -0.17 0.00 -1.01 0.00 0.00 55.97 57.97 2joq s LYS 10 Cb -0.41 -3.81 -0.02 0.00 -1.01 0.00 0.00 37.83 32.58 2joq s LYS 10 CO 0.32 -0.84 1.14 -1.25 0.51 0.00 0.00 175.35 175.24 2joq s PRO 11 N 3.36 2.96 -0.03 -1.68 0.04 -1.26 -4.96 135.00 133.43 2joq s PRO 11 Ca 0.79 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 2joq s PRO 11 Cb -0.41 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 2joq s PRO 11 CO 0.35 -1.16 1.41 0.99 0.04 0.00 0.00 177.00 178.63 2joq s THR 12 N -1.97 3.80 -0.15 1.26 2.01 -1.26 -5.01 115.64 114.31 2joq s THR 12 Ca 0.72 1.13 -0.06 0.00 0.31 0.00 0.00 61.69 63.78 2joq s THR 12 Cb -0.24 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 2joq s THR 12 CO 0.35 -0.03 0.05 -0.63 -0.69 0.00 0.00 174.62 173.68 2joq s ILE 13 N 2.75 4.74 -0.53 1.82 -1.09 -1.26 -5.07 121.20 122.55 2joq s ILE 13 Ca 0.63 -0.07 -0.22 0.00 -2.23 0.00 0.00 60.65 58.76 2joq s ILE 13 Cb -0.30 -3.09 0.05 0.00 -1.58 0.00 0.00 42.46 37.54 2joq s ILE 13 CO 0.25 0.52 0.83 -0.63 -1.23 0.00 0.00 174.94 174.68 2joq s ILE 14 N -0.12 4.56 -0.02 2.92 -1.09 -1.26 -5.04 121.20 121.15 2joq s ILE 14 Ca 0.07 0.04 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 2joq s ILE 14 Cb -0.12 -4.45 -0.04 0.00 -1.58 0.00 0.00 42.46 36.27 2joq s ILE 14 CO 0.01 -1.00 0.14 -0.31 -1.23 0.00 0.00 174.94 172.56 2joq s TYR 15 N 3.49 3.46 0.58 3.97 1.51 -1.26 -3.89 117.35 125.21 2joq s TYR 15 Ca 0.25 0.32 -0.14 0.00 -1.01 0.00 0.00 57.07 56.50 2joq s TYR 15 Cb -0.15 -1.81 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 2joq s TYR 15 CO 0.17 0.62 1.02 -2.14 -1.11 0.00 0.00 175.55 174.11 2joq s PRO 16 N -1.74 3.60 0.00 -1.71 0.02 -1.26 -5.01 135.00 128.90 2joq s PRO 16 Ca 0.24 0.94 -0.28 0.00 0.02 0.00 0.00 61.00 61.92 2joq s PRO 16 Cb -0.12 -2.08 0.10 0.00 0.02 0.00 0.00 34.50 32.42 2joq s PRO 16 CO 0.15 -0.57 0.86 0.00 -0.33 0.00 0.00 177.00 177.11 2joq s LEU 18 N -2.41 4.32 -0.00 0.00 1.43 -1.26 -1.08 118.68 119.68 2joq s LEU 18 Ca 0.04 2.20 0.03 0.00 -1.03 0.00 0.00 54.13 55.37 2joq s LEU 18 Cb -0.01 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 2joq s LEU 18 CO -0.08 -0.79 -0.08 0.86 0.23 0.00 0.00 176.35 176.49 2joq s TRP 19 N 2.70 2.84 -0.19 0.29 -0.11 -0.04 -4.92 118.94 119.52 2joq s TRP 19 Ca 0.67 -0.07 -0.06 0.00 1.22 0.00 0.00 56.10 57.87 2joq s TRP 19 Cb -0.33 -1.60 -0.03 0.00 -1.50 0.00 0.00 33.47 30.01 2joq s TRP 19 CO 0.28 0.35 0.02 0.34 -4.62 0.00 0.00 176.95 173.31 2joq s ASP 20 N -1.33 5.13 -0.06 5.86 2.15 -1.26 -2.28 116.67 124.87 2joq s ASP 20 Ca 0.16 -0.09 0.05 0.00 0.43 0.00 0.00 52.55 53.11 2joq s ASP 20 Cb -0.11 -1.88 -0.01 0.00 -0.30 0.00 0.00 42.92 40.62 2joq s ASP 20 CO 0.06 0.11 -0.23 -0.31 -0.17 0.00 0.00 175.17 174.64 2joq s TYR 21 N 0.72 2.49 -0.28 -5.34 1.51 0.57 -4.74 117.35 112.28 2joq s TYR 21 Ca 0.01 -0.64 -0.10 0.00 -1.01 0.00 0.00 57.07 55.33 2joq s TYR 21 Cb -0.14 -1.62 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 2joq s TYR 21 CO 0.02 -0.16 0.15 0.50 -1.11 0.00 0.00 175.55 174.95 2joq s ARG 22 N -0.21 3.68 -0.27 -0.62 6.06 -1.06 -1.28 118.95 125.25 2joq s ARG 22 Ca -0.02 -0.49 0.03 0.00 -2.50 0.00 0.00 55.73 52.75 2joq s ARG 22 Cb -0.13 -3.55 0.06 0.00 0.06 0.00 0.00 34.95 31.39 2joq s ARG 22 CO 0.03 -0.26 -0.08 0.08 -2.50 0.00 0.00 175.30 172.57 2joq s VAL 23 N 1.68 2.26 -0.41 7.11 1.01 -0.29 -1.35 120.40 130.41 2joq s VAL 23 Ca 0.06 -1.69 -0.16 0.00 0.00 0.00 0.00 61.98 60.20 2joq s VAL 23 Cb -0.16 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.87 2joq s VAL 23 CO 0.08 -0.10 0.34 -0.63 0.00 0.00 0.00 175.10 174.79 2joq s ILE 24 N 1.09 5.20 0.24 2.22 1.01 -0.98 -0.19 121.20 129.80 2joq s ILE 24 Ca -0.07 -0.56 0.12 0.00 0.00 0.00 0.00 60.65 60.15 2joq s ILE 24 Cb -0.20 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2joq s ILE 24 CO -0.05 -0.35 -0.21 -0.04 0.00 0.00 0.00 174.94 174.29 2joq s MET 25 N 1.83 1.63 -0.16 2.79 -1.94 -0.40 -0.62 119.30 122.43 2joq s MET 25 Ca 0.07 -1.66 0.10 0.00 -1.71 0.00 0.00 55.69 52.49 2joq s MET 25 Cb -0.18 -1.81 0.56 0.00 2.01 0.00 0.00 34.83 35.41 2joq s MET 25 CO 0.11 0.36 1.36 0.25 -0.01 0.00 0.00 175.02 177.09 2joq n THR 26 N -0.27 1.85 -4.11 2.05 -2.24 -0.50 -0.28 114.28 110.78 2joq n THR 26 Ca -0.08 -0.95 -0.14 0.00 -2.27 0.00 0.00 64.05 60.61 2joq n THR 26 Cb 0.58 -0.33 -0.12 0.00 -2.10 0.00 0.00 70.33 68.36 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 -2.18 0.56 -0.87 4.28 -1.32 -1.26 -4.94 115.64 109.92 2joq s THR 27 Ca 0.37 -0.85 0.24 0.00 -1.21 0.00 0.00 61.69 60.25 2joq s THR 27 Cb 0.28 -0.58 -0.02 0.00 -1.51 0.00 0.00 72.50 70.67 2joq s THR 27 CO 0.11 -0.21 1.31 0.29 -2.21 0.00 0.00 174.62 173.90 2joq n LYS 28 N 1.89 0.10 -2.74 7.08 5.02 -1.26 -4.63 118.16 123.63 2joq n LYS 28 Ca -0.20 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.67 2joq n LYS 28 Cb 0.56 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2joq n LYS 28 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2joq n ASP 29 N -1.69 5.07 -4.45 4.39 2.03 -1.26 -4.94 116.55 115.70 2joq n ASP 29 Ca 0.04 -2.96 -0.43 0.00 0.52 0.00 0.00 54.79 51.96 2joq n ASP 29 Cb 0.37 -1.63 -0.04 0.00 -0.72 0.00 0.00 41.12 39.10 2joq n ASP 29 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2joq s THR 30 N 2.46 4.41 -0.01 5.18 -1.32 -1.26 -4.80 115.64 120.30 2joq s THR 30 Ca 0.47 -0.38 -0.02 0.00 -1.21 0.00 0.00 61.69 60.55 2joq s THR 30 Cb 0.01 -4.63 -0.01 0.00 -1.51 0.00 0.00 72.50 66.36 2joq s THR 30 CO 0.03 -1.36 -0.03 -1.54 -2.21 0.00 0.00 174.62 169.51 2joq n SER 31 N 7.45 0.30 -0.35 8.08 3.41 -1.26 -4.61 113.62 126.64 2joq n SER 31 Ca -0.04 0.05 0.23 0.00 -0.26 0.00 0.00 58.87 58.85 2joq n SER 31 Cb 0.45 -0.29 0.48 0.00 -0.26 0.00 0.00 64.21 64.59 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2joq h THR 32 N -0.09 0.40 -0.17 6.66 2.02 -1.98 0.19 112.91 119.94 2joq h THR 32 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2joq h THR 32 Cb 0.09 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 2joq h THR 32 CO 0.00 0.07 0.11 0.25 0.37 0.00 0.00 175.52 176.32 2joq h LEU 33 N 0.39 0.18 -0.27 2.58 5.85 -1.95 -1.14 115.31 120.96 2joq h LEU 33 Ca 0.68 -0.00 -0.21 0.00 0.84 0.00 0.00 57.88 59.19 2joq h LEU 33 Cb 1.61 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.60 2joq h LEU 33 CO -0.47 0.13 -0.85 0.11 -0.34 0.00 0.00 178.44 177.03 2joq h LYS 34 N 0.22 0.41 -0.16 1.25 1.57 -1.11 -3.22 116.57 115.54 2joq h LYS 34 Ca 0.06 -0.40 0.04 0.00 -1.87 0.00 0.00 60.65 58.49 2joq h LYS 34 Cb -0.02 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 2joq h LYS 34 CO -0.02 1.05 -0.10 0.93 -0.57 0.00 0.00 179.45 180.74 2joq h GLU 35 N 0.25 -0.10 -0.11 3.15 4.39 -0.50 0.17 114.58 121.84 2joq h GLU 35 Ca -0.06 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 2joq h GLU 35 Cb 1.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.13 2joq h GLU 35 CO 0.15 -0.07 0.04 1.37 -1.16 0.00 0.00 179.01 179.34 2joq h LEU 36 N -0.10 0.13 -0.04 1.33 8.10 -1.26 -1.91 115.31 121.56 2joq h LEU 36 Ca 0.09 -0.01 -0.13 0.00 0.11 0.00 0.00 57.88 57.95 2joq h LEU 36 Cb 0.24 -0.03 0.01 0.00 -0.44 0.00 0.00 40.66 40.44 2joq h LEU 36 CO -0.22 0.13 -0.49 -0.07 -4.11 0.00 0.00 178.44 173.68 2joq h LEU 37 N 0.15 0.49 -1.95 0.17 3.38 -1.32 -3.31 115.31 112.92 2joq h LEU 37 Ca 0.04 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.27 2joq h LEU 37 Cb 0.04 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2joq h LEU 37 CO -0.00 1.13 -0.11 -0.33 0.09 0.00 0.00 178.44 179.22 2joq h GLU 38 N -0.11 0.00 0.00 1.13 5.08 0.07 -2.03 114.58 118.72 2joq h GLU 38 Ca -0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2joq h GLU 38 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2joq h GLU 38 CO 0.10 0.11 -0.05 1.79 -1.00 0.00 0.00 179.01 179.96 2joq h THR 39 N 0.00 0.64 0.00 1.13 1.35 -1.51 0.14 112.91 114.65 2joq h THR 39 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2joq h THR 39 Cb 0.27 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2joq h THR 39 CO 0.01 0.05 0.00 -1.22 -0.25 0.00 0.00 175.52 174.11 2joq n TYR 40 N -3.90 0.00 -1.14 4.73 4.02 -0.76 -4.87 117.16 115.23 2joq n TYR 40 Ca -0.03 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.82 2joq n TYR 40 Cb 0.14 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.00 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 -1.44 -1.58 -4.08 -0.72 1.13 0.47 -4.97 117.38 106.20 2joq n GLN 41 Ca 0.07 0.61 -0.25 0.00 -1.94 0.00 0.00 57.00 55.50 2joq n GLN 41 Cb 0.25 -4.88 -0.05 0.00 0.11 0.00 0.00 30.24 25.66 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 -2.19 2.97 0.82 -1.09 1.70 -1.26 -5.11 118.95 114.78 2joq s ARG 42 Ca 0.00 -0.89 -0.11 0.00 -0.47 0.00 0.00 55.73 54.26 2joq s ARG 42 Cb 0.00 -2.66 0.08 0.00 -0.57 0.00 0.00 34.95 31.80 2joq s ARG 42 CO 0.00 0.47 1.09 -1.25 -1.08 0.00 0.00 175.30 174.52 2joq s PRO 43 N -3.32 1.92 0.02 3.89 0.04 -1.26 -4.76 135.00 131.53 2joq s PRO 43 Ca 0.32 0.91 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 2joq s PRO 43 Cb -0.10 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.64 2joq s PRO 43 CO 0.24 -1.81 0.66 -0.59 0.04 0.00 0.00 177.00 175.54 2joq s PHE 44 N -2.98 -0.62 -0.25 0.56 -0.71 -1.26 -4.35 117.98 108.37 2joq s PHE 44 Ca 0.62 0.85 -0.11 0.00 -1.04 0.00 0.00 56.93 57.24 2joq s PHE 44 Cb -0.17 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 2joq s PHE 44 CO 0.56 -0.69 0.20 0.21 -1.34 0.00 0.00 175.22 174.16 2joq s LYS 45 N -2.07 4.04 -0.24 1.99 2.20 0.51 -4.97 119.74 121.20 2joq s LYS 45 Ca -0.07 -0.23 -0.06 0.00 -0.36 0.00 0.00 55.97 55.25 2joq s LYS 45 Cb -0.00 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 2joq s LYS 45 CO 0.02 -0.03 0.03 -1.17 -0.36 0.00 0.00 175.35 173.84 2joq s LEU 46 N 1.31 3.29 0.14 5.43 1.98 -1.26 -1.81 118.68 127.76 2joq s LEU 46 Ca 0.09 -0.35 0.07 0.00 -2.89 0.00 0.00 54.13 51.04 2joq s LEU 46 Cb -0.14 -1.85 -0.04 0.00 0.66 0.00 0.00 46.19 44.82 2joq s LEU 46 CO 0.07 -0.05 -0.15 -1.61 -1.89 0.00 0.00 176.35 172.72 2joq s GLU 47 N 1.55 1.10 -0.21 1.98 0.41 0.98 -4.99 118.70 119.51 2joq s GLU 47 Ca 0.06 -1.31 0.01 0.00 -0.41 0.00 0.00 54.97 53.32 2joq s GLU 47 Cb -0.15 -1.01 0.03 0.00 -1.78 0.00 0.00 34.13 31.22 2joq s GLU 47 CO 0.01 0.19 -0.15 0.12 -0.49 0.00 0.00 175.26 174.95 2joq s PHE 48 N -2.20 2.95 -0.12 1.61 5.36 -1.26 -0.30 117.98 124.03 2joq s PHE 48 Ca 0.11 -1.74 -0.05 0.00 -0.96 0.00 0.00 56.93 54.30 2joq s PHE 48 Cb -0.05 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2joq s PHE 48 CO 0.04 -0.79 -0.09 0.87 -1.46 0.00 0.00 175.22 173.78 2joq h LYS 49 N 7.93 0.00 -2.24 10.12 1.79 -1.47 -3.48 116.57 129.21 2joq h LYS 49 Ca -0.37 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.27 2joq h LYS 49 Cb 1.11 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.66 2joq h LYS 49 CO 0.59 0.00 0.52 1.21 -1.08 0.00 0.00 179.45 180.69 2joq s ASN 50 N -5.52 -0.21 0.05 0.86 2.47 -1.22 -5.04 114.94 106.34 2joq s ASN 50 Ca -0.08 -0.29 0.04 0.00 0.42 0.00 0.00 52.86 52.96 2joq s ASN 50 Cb 0.01 0.44 -0.02 0.00 -1.45 0.00 0.00 41.25 40.22 2joq s ASN 50 CO 0.11 -0.79 -0.13 0.28 -3.72 0.00 0.00 177.10 172.86 2joq s THR 51 N -3.17 1.00 1.06 -5.21 -1.32 -1.26 -0.21 115.64 106.53 2joq s THR 51 Ca 0.11 -1.11 -0.13 0.00 -1.21 0.00 0.00 61.69 59.34 2joq s THR 51 Cb -0.01 -0.95 0.17 0.00 -1.51 0.00 0.00 72.50 70.20 2joq s THR 51 CO -0.01 -0.14 0.71 -1.54 -2.21 0.00 0.00 174.62 171.43 2joq n SER 52 N 1.61 -1.43 0.24 8.08 3.41 0.13 -4.78 113.62 120.88 2joq n SER 52 Ca -0.20 0.09 0.17 0.00 -0.26 0.00 0.00 58.87 58.66 2joq n SER 52 Cb 0.55 -1.24 0.78 0.00 -0.26 0.00 0.00 64.21 64.04 2joq n SER 52 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2joq h LYS 53 N -2.14 0.00 -0.38 4.33 1.79 -2.01 0.15 116.57 118.31 2joq h LYS 53 Ca -0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2joq h LYS 53 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2joq h LYS 53 CO 0.42 0.00 0.00 -1.71 -1.08 0.00 0.00 179.45 177.08 2joq n ASN 54 N -2.75 3.41 -2.10 0.86 5.15 -1.26 -4.94 115.26 113.63 2joq n ASN 54 Ca -0.00 -1.98 -0.19 0.00 -0.60 0.00 0.00 54.58 51.81 2joq n ASN 54 Cb 0.17 -0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.15 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2joq n ALA 55 N 1.43 -0.52 0.04 5.20 0.00 0.54 -4.86 120.51 122.34 2joq n ALA 55 Ca 0.19 0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.61 2joq n ALA 55 Cb 0.59 -1.99 -0.14 0.00 0.00 0.00 0.00 19.45 17.91 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 0.33 -5.09 0.00 1.63 -1.92 -3.45 116.57 108.07 2joq h LYS 56 Ca -0.43 -0.57 -0.66 0.00 -0.85 0.00 0.00 60.65 58.14 2joq h LYS 56 Cb 1.30 0.21 -0.29 0.00 -0.60 0.00 0.00 32.23 32.85 2joq h LYS 56 CO 0.55 1.27 -0.75 -0.06 -3.45 0.00 0.00 179.45 177.00 2joq s PHE 57 N -2.56 2.89 -0.27 1.91 0.08 -1.26 -4.35 117.98 114.42 2joq s PHE 57 Ca -0.19 -0.98 -0.08 0.00 0.12 0.00 0.00 56.93 55.80 2joq s PHE 57 Cb 0.06 -2.01 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 2joq s PHE 57 CO 0.81 -0.50 0.11 0.71 -0.10 0.00 0.00 175.22 176.25 2joq s TYR 58 N 1.16 3.13 -0.41 0.36 2.02 0.62 -0.69 117.35 123.53 2joq s TYR 58 Ca 0.02 -0.44 -0.24 0.00 -0.37 0.00 0.00 57.07 56.04 2joq s TYR 58 Cb -0.14 -2.29 0.02 0.00 -0.40 0.00 0.00 41.96 39.15 2joq s TYR 58 CO -0.03 -0.38 0.82 -1.12 -1.57 0.00 0.00 175.55 173.28 2joq s SER 59 N 1.62 6.50 0.05 2.29 0.01 0.71 -1.28 113.70 123.61 2joq s SER 59 Ca 0.06 0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.49 2joq s SER 59 Cb -0.16 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.62 2joq s SER 59 CO 0.05 -0.87 0.09 -0.36 0.41 0.00 0.00 173.24 172.56 2joq s PHE 60 N 3.33 3.24 -0.18 2.43 0.08 0.73 -1.15 117.98 126.46 2joq s PHE 60 Ca 0.32 0.13 -0.00 0.00 0.12 0.00 0.00 56.93 57.50 2joq s PHE 60 Cb -0.12 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.67 2joq s PHE 60 CO 0.21 0.53 -0.15 1.21 -0.10 0.00 0.00 175.22 176.93 2joq s ASN 61 N -2.19 3.58 -0.06 1.36 3.04 0.60 -1.14 114.94 120.13 2joq s ASN 61 Ca 0.28 -0.53 0.05 0.00 0.04 0.00 0.00 52.86 52.70 2joq s ASN 61 Cb -0.12 -1.57 -0.01 0.00 -1.54 0.00 0.00 41.25 38.01 2joq s ASN 61 CO 0.20 0.03 -0.22 -0.69 -3.04 0.00 0.00 177.10 173.37 2joq s VAL 62 N 1.15 2.32 -0.04 -5.21 1.01 -0.40 -0.01 120.40 119.22 2joq s VAL 62 Ca 0.01 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2joq s VAL 62 Cb -0.14 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.40 2joq s VAL 62 CO -0.06 0.57 0.05 -0.44 0.00 0.00 0.00 175.10 175.22 2joq s SER 63 N -0.28 1.07 0.04 3.32 0.01 -0.75 -0.31 113.70 116.80 2joq s SER 63 Ca 0.00 0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 2joq s SER 63 Cb -0.13 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2joq s SER 63 CO 0.03 -0.23 0.03 0.00 0.41 0.00 0.00 173.24 173.48 2joq s MET 64 N 2.04 0.55 -0.18 12.44 0.23 -0.97 -0.36 119.30 133.05 2joq s MET 64 Ca 0.03 -0.88 -0.29 0.00 -1.03 0.00 0.00 55.69 53.52 2joq s MET 64 Cb -0.12 0.20 -0.01 0.00 -1.53 0.00 0.00 34.83 33.37 2joq s MET 64 CO -0.03 -0.12 1.22 -1.21 -2.03 0.00 0.00 175.02 172.85 2joq s GLU 65 N -2.83 4.24 -0.17 3.16 2.02 -1.26 -0.86 118.70 122.99 2joq s GLU 65 Ca -0.03 1.61 -0.05 0.00 0.02 0.00 0.00 54.97 56.52 2joq s GLU 65 Cb 0.00 -3.74 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 2joq s GLU 65 CO -0.06 -0.69 -0.01 0.14 0.02 0.00 0.00 175.26 174.66 2joq s VAL 66 N 3.43 4.04 -0.38 2.63 -7.23 -0.24 -4.92 120.40 117.73 2joq s VAL 66 Ca 0.53 -0.30 0.23 0.00 -1.81 0.00 0.00 61.98 60.63 2joq s VAL 66 Cb -0.21 -2.80 0.08 0.00 0.56 0.00 0.00 36.38 34.02 2joq s VAL 66 CO 0.13 0.47 1.23 -1.28 -0.31 0.00 0.00 175.10 175.34 2joq h SER 67 N 6.95 0.00 -5.38 4.85 0.87 -1.94 -2.20 113.55 116.70 2joq h SER 67 Ca -0.33 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 59.97 2joq h SER 67 Cb 1.18 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.09 2joq h SER 67 CO 0.63 0.02 -0.05 0.54 -0.53 0.00 0.00 176.83 177.44 2joq s ASN 68 N -5.25 0.67 0.20 6.23 2.20 -1.26 -4.23 114.94 113.51 2joq s ASN 68 Ca 0.03 -1.39 0.10 0.00 -0.94 0.00 0.00 52.86 50.65 2joq s ASN 68 Cb 0.10 0.72 0.03 0.00 -2.00 0.00 0.00 41.25 40.10 2joq s ASN 68 CO 0.75 -1.42 1.42 -0.08 -2.94 0.00 0.00 177.10 174.83 2joq h GLU 69 N 2.07 0.00 -0.24 3.55 4.81 -1.99 -3.09 114.58 119.69 2joq h GLU 69 Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2joq h GLU 69 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2joq h GLU 69 CO 0.39 0.79 0.10 1.03 -0.73 0.00 0.00 179.01 180.59 2joq h SER 70 N 0.00 0.32 -0.45 1.04 0.87 -1.99 -1.84 113.55 111.50 2joq h SER 70 Ca -0.01 -0.16 0.05 0.00 -1.23 0.00 0.00 61.79 60.44 2joq h SER 70 Cb 1.49 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 63.32 2joq h SER 70 CO 0.10 0.39 0.20 -0.33 -0.53 0.00 0.00 176.83 176.67 2joq h GLU 71 N 0.24 0.40 -0.78 2.24 5.08 -1.99 0.52 114.58 120.29 2joq h GLU 71 Ca 0.08 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.56 2joq h GLU 71 Cb 0.16 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2joq h GLU 71 CO -0.01 0.26 0.52 -0.09 -1.00 0.00 0.00 179.01 178.69 2joq h ARG 72 N 0.41 0.46 0.03 2.33 1.12 -1.35 -0.61 114.38 116.77 2joq h ARG 72 Ca 0.20 -0.03 -0.13 0.00 -1.11 0.00 0.00 59.98 58.92 2joq h ARG 72 Cb 0.15 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 29.99 2joq h ARG 72 CO -0.17 0.30 -0.68 -0.91 -3.11 0.00 0.00 179.97 175.41 2joq h ASN 73 N 0.47 0.11 -0.63 -3.80 2.35 -0.62 -3.25 115.58 110.21 2joq h ASN 73 Ca 0.39 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2joq h ASN 73 Cb 0.83 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.13 2joq h ASN 73 CO -0.14 1.28 0.41 1.05 -1.65 0.00 0.00 177.43 178.39 2joq h GLU 74 N -0.82 0.84 -0.68 0.81 4.11 -0.45 -0.90 114.58 117.50 2joq h GLU 74 Ca -0.16 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.21 2joq h GLU 74 Cb 1.28 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 2joq h GLU 74 CO -0.04 0.57 0.45 0.82 0.07 0.00 0.00 179.01 180.89 2joq h ILE 75 N 0.86 1.18 -0.45 -1.06 2.04 -1.30 -0.39 117.51 118.38 2joq h ILE 75 Ca 0.23 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2joq h ILE 75 Cb -0.08 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.15 2joq h ILE 75 CO -0.05 0.17 0.29 0.15 0.00 0.00 0.00 178.15 178.71 2joq h PHE 76 N 0.92 0.57 -0.11 1.37 3.57 -1.36 -0.73 116.94 121.17 2joq h PHE 76 Ca 0.25 0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.59 2joq h PHE 76 Cb -0.11 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 2joq h PHE 76 CO -0.03 0.36 -0.64 1.96 -2.23 0.00 0.00 178.31 177.74 2joq h GLN 77 N 0.61 0.43 -0.19 1.11 4.20 0.14 -2.78 115.11 118.63 2joq h GLN 77 Ca 0.16 -0.31 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 2joq h GLN 77 Cb -0.06 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2joq h GLN 77 CO -0.03 0.93 -0.29 0.87 -0.67 0.00 0.00 178.83 179.63 2joq h LYS 78 N 0.31 0.38 0.00 1.46 1.57 -0.19 -2.47 116.57 117.63 2joq h LYS 78 Ca -0.01 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2joq h LYS 78 Cb 1.19 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 2joq h LYS 78 CO 0.11 0.64 -0.10 0.82 -0.57 0.00 0.00 179.45 180.35 2joq h ILE 79 N 0.33 1.05 -0.01 1.86 2.04 -0.89 -0.57 117.51 121.33 2joq h ILE 79 Ca 0.05 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2joq h ILE 79 Cb 0.69 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2joq h ILE 79 CO 0.05 0.10 -0.17 -1.54 0.00 0.00 0.00 178.15 176.59 2joq n SER 80 N -4.38 0.72 -0.74 1.72 3.41 -0.94 -3.57 113.62 109.83 2joq n SER 80 Ca -0.03 -0.72 0.11 0.00 -0.26 0.00 0.00 58.87 57.98 2joq n SER 80 Cb 0.18 0.02 0.32 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 -0.81 1.99 0.04 4.33 6.02 -0.22 -4.06 117.38 124.66 2joq n GLN 81 Ca 0.13 -1.47 -0.07 0.00 -0.01 0.00 0.00 57.00 55.58 2joq n GLN 81 Cb 0.31 -1.44 0.10 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 3.09 0.45 0.00 1.08 3.38 -1.61 -3.47 115.31 118.24 2joq h LEU 82 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2joq h LEU 82 Cb 0.67 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2joq h LEU 82 CO 0.00 0.91 0.00 -0.67 0.09 0.00 0.00 178.44 178.77 2joq n ASP 83 N -3.94 0.00 0.28 -0.43 2.03 -1.26 -4.65 116.55 108.58 2joq n ASP 83 Ca -0.03 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.41 2joq n ASP 83 Cb 0.59 0.00 0.79 0.00 -0.72 0.00 0.00 41.12 41.78 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 -6.50 -0.67 6.56 -1.93 -3.43 116.57 110.59 2joq h LYS 84 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 2joq h LYS 84 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.65 2joq h LYS 84 CO 0.00 0.06 0.47 0.54 -2.06 0.00 0.00 179.45 178.46 2joq s VAL 85 N -4.51 4.29 -0.03 0.50 0.11 -1.26 -1.41 120.40 118.09 2joq s VAL 85 Ca -0.04 1.72 0.19 0.00 -2.93 0.00 0.00 61.98 60.92 2joq s VAL 85 Cb 0.15 -4.10 -0.29 0.00 -1.53 0.00 0.00 36.38 30.60 2joq s VAL 85 CO 0.58 0.18 0.42 1.33 -3.33 0.00 0.00 175.10 174.28 2joq n VAL 86 N 3.50 0.00 -3.60 2.04 0.24 0.21 -4.94 118.33 115.79 2joq n VAL 86 Ca 0.06 -0.43 -0.04 0.00 -2.04 0.00 0.00 64.34 61.89 2joq n VAL 86 Cb 0.48 0.07 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 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 -3.31 0.47 -0.15 7.34 2.00 -1.20 -5.07 119.66 119.74 2joq s GLN 87 Ca -0.07 1.21 -0.11 0.00 -2.00 0.00 0.00 55.36 54.40 2joq s GLN 87 Cb 0.12 0.58 -0.05 0.00 0.80 0.00 0.00 33.01 34.46 2joq s GLN 87 CO 0.79 -0.28 0.20 0.95 -0.50 0.00 0.00 175.29 176.45 2joq s THR 88 N 2.77 5.37 -0.35 -0.34 -4.23 -1.26 -2.32 115.64 115.29 2joq s THR 88 Ca -0.01 0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.84 2joq s THR 88 Cb -0.12 -3.52 0.08 0.00 1.34 0.00 0.00 72.50 70.27 2joq s THR 88 CO -0.17 0.48 0.08 -0.76 -0.54 0.00 0.00 174.62 173.71 2joq s LEU 89 N -0.06 4.52 -0.75 4.79 2.01 -0.46 -5.00 118.68 123.73 2joq s LEU 89 Ca 0.13 -1.70 0.03 0.00 0.01 0.00 0.00 54.13 52.60 2joq s LEU 89 Cb -0.12 -1.74 0.33 0.00 0.01 0.00 0.00 46.19 44.67 2joq s LEU 89 CO 0.02 -0.38 1.28 0.61 1.01 0.00 0.00 176.35 178.89 2joq n GLY 90 N 4.55 5.79 0.21 -3.19 0.00 -1.26 -2.55 105.19 108.73 2joq n GLY 90 Ca -0.06 -2.71 0.15 0.00 0.00 0.00 0.00 46.02 43.40 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76