#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 3.18 2.60 1.69 0.00 -1.26 -5.13 105.19 106.28 2joq n GLY 2 Ca 0.00 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2joq n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2joq s HIS 3 N 2.45 0.11 -0.16 1.61 2.46 -1.26 -5.12 115.29 115.39 2joq s HIS 3 Ca 0.00 -0.75 -0.29 0.00 0.47 0.00 0.00 55.06 54.48 2joq s HIS 3 Cb 0.00 -0.75 -0.02 0.00 -0.13 0.00 0.00 32.58 31.67 2joq s HIS 3 CO 0.00 -0.86 1.40 0.00 -2.47 0.00 0.00 174.74 172.81 2joq s MET 4 N 2.04 4.14 0.28 2.88 0.23 -1.26 -5.00 119.30 122.61 2joq s MET 4 Ca 0.10 1.75 -0.29 0.00 -1.03 0.00 0.00 55.69 56.22 2joq s MET 4 Cb -0.16 -3.86 -0.10 0.00 -1.53 0.00 0.00 34.83 29.18 2joq s MET 4 CO -0.30 -0.85 1.16 -1.25 -2.03 0.00 0.00 175.02 171.74 2joq s PRO 5 N 3.83 4.56 0.15 3.16 0.04 -1.26 -5.00 135.00 140.48 2joq s PRO 5 Ca 0.61 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 2joq s PRO 5 Cb -0.24 -3.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.05 2joq s PRO 5 CO 0.21 0.09 1.23 -1.54 0.04 0.00 0.00 177.00 177.02 2joq s SER 6 N -0.67 7.04 1.09 6.66 1.04 -1.26 -5.03 113.70 122.58 2joq s SER 6 Ca 0.46 2.20 -0.15 0.00 0.48 0.00 0.00 55.95 58.94 2joq s SER 6 Cb -0.34 -2.60 0.23 0.00 0.10 0.00 0.00 66.02 63.42 2joq s SER 6 CO 0.43 -0.44 1.10 -1.81 0.98 0.00 0.00 173.24 173.51 2joq s ASP 7 N 0.49 1.85 -0.18 7.02 1.11 -1.26 -4.89 116.67 120.80 2joq s ASP 7 Ca 0.56 0.91 -0.04 0.00 0.18 0.00 0.00 52.55 54.16 2joq s ASP 7 Cb -0.32 -1.39 -0.07 0.00 1.07 0.00 0.00 42.92 42.21 2joq s ASP 7 CO 0.34 -3.58 2.96 -1.54 1.18 0.00 0.00 175.17 174.53 2joq n SER 8 N -4.44 5.80 -4.73 0.27 3.41 -1.26 -4.95 113.62 107.71 2joq n SER 8 Ca 0.09 -2.78 -0.32 0.00 -0.26 0.00 0.00 58.87 55.60 2joq n SER 8 Cb 0.58 -1.28 0.10 0.00 -0.26 0.00 0.00 64.21 63.36 2joq n SER 8 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2joq s LYS 9 N -0.33 2.00 0.52 4.33 0.00 -1.26 -4.98 119.74 120.02 2joq s LYS 9 Ca 0.52 1.45 -0.20 0.00 0.00 0.00 0.00 55.97 57.73 2joq s LYS 9 Cb 0.29 -1.85 -0.06 0.00 0.00 0.00 0.00 37.83 36.21 2joq s LYS 9 CO -0.07 -1.88 1.14 0.15 0.00 0.00 0.00 175.35 174.69 2joq s LYS 10 N -4.45 3.45 0.67 1.78 -0.14 -1.26 -5.02 119.74 114.76 2joq s LYS 10 Ca 0.67 1.67 -0.15 0.00 -1.36 0.00 0.00 55.97 56.80 2joq s LYS 10 Cb -0.22 -2.11 0.01 0.00 -1.68 0.00 0.00 37.83 33.83 2joq s LYS 10 CO 0.51 -0.78 1.11 -1.25 -0.76 0.00 0.00 175.35 174.18 2joq s PRO 11 N -3.13 2.72 -0.31 -1.68 0.04 -1.26 -4.94 135.00 126.44 2joq s PRO 11 Ca 0.71 1.40 -0.29 0.00 0.04 0.00 0.00 61.00 62.86 2joq s PRO 11 Cb -0.25 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2joq s PRO 11 CO 0.29 -1.31 1.73 0.99 0.04 0.00 0.00 177.00 178.74 2joq s THR 12 N -2.35 3.55 -0.34 1.26 2.01 -1.26 -4.97 115.64 113.55 2joq s THR 12 Ca 0.67 0.57 -0.07 0.00 0.31 0.00 0.00 61.69 63.18 2joq s THR 12 Cb -0.21 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.64 2joq s THR 12 CO 0.43 -0.42 0.11 -0.63 -0.69 0.00 0.00 174.62 173.42 2joq s ILE 13 N 6.40 3.88 0.17 1.82 -1.09 -1.26 -5.09 121.20 126.02 2joq s ILE 13 Ca 0.77 -1.07 -0.22 0.00 -2.23 0.00 0.00 60.65 57.90 2joq s ILE 13 Cb -0.22 -3.18 -0.08 0.00 -1.58 0.00 0.00 42.46 37.40 2joq s ILE 13 CO 0.33 -0.16 0.72 -0.63 -1.23 0.00 0.00 174.94 173.97 2joq s ILE 14 N 1.43 4.50 -0.03 2.92 1.01 -1.26 -5.08 121.20 124.68 2joq s ILE 14 Ca -0.01 1.48 0.01 0.00 0.00 0.00 0.00 60.65 62.14 2joq s ILE 14 Cb -0.19 -4.01 0.01 0.00 0.01 0.00 0.00 42.46 38.28 2joq s ILE 14 CO 0.03 0.43 -0.05 -0.31 0.00 0.00 0.00 174.94 175.04 2joq s TYR 15 N -1.26 0.72 0.65 3.97 2.02 -1.26 -3.90 117.35 118.29 2joq s TYR 15 Ca 0.37 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.76 2joq s TYR 15 Cb -0.20 -0.59 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 2joq s TYR 15 CO 0.23 -0.14 1.05 -1.25 -1.57 0.00 0.00 175.55 173.88 2joq s PRO 16 N 0.58 3.15 -0.04 -1.71 0.04 -1.25 -4.98 135.00 130.79 2joq s PRO 16 Ca -0.08 1.04 -0.30 0.00 0.04 0.00 0.00 61.00 61.70 2joq s PRO 16 Cb -0.11 -2.02 0.11 0.00 0.04 0.00 0.00 34.50 32.52 2joq s PRO 16 CO 0.00 -0.94 1.07 0.00 0.04 0.00 0.00 177.00 177.18 2joq s LEU 18 N -2.55 4.56 -0.03 0.00 1.43 -1.26 -0.75 118.68 120.08 2joq s LEU 18 Ca 0.09 2.07 0.07 0.00 -1.03 0.00 0.00 54.13 55.34 2joq s LEU 18 Cb -0.00 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 2joq s LEU 18 CO -0.05 -0.07 -0.25 0.86 0.23 0.00 0.00 176.35 177.07 2joq s TRP 19 N -0.77 2.25 -0.28 0.29 -0.11 -0.27 -4.93 118.94 115.11 2joq s TRP 19 Ca 0.45 -0.47 -0.16 0.00 1.22 0.00 0.00 56.10 57.14 2joq s TRP 19 Cb -0.29 -1.45 -0.03 0.00 -1.50 0.00 0.00 33.47 30.21 2joq s TRP 19 CO 0.35 -0.07 0.45 0.34 -4.62 0.00 0.00 176.95 173.40 2joq s ASP 20 N -0.51 6.33 -0.08 5.86 2.15 -1.26 -2.96 116.67 126.20 2joq s ASP 20 Ca 0.07 0.32 0.01 0.00 0.43 0.00 0.00 52.55 53.38 2joq s ASP 20 Cb -0.10 -2.25 -0.03 0.00 -0.30 0.00 0.00 42.92 40.24 2joq s ASP 20 CO -0.00 -0.27 -0.07 -0.31 -0.17 0.00 0.00 175.17 174.35 2joq s TYR 21 N 2.21 2.92 -0.32 -5.34 1.51 0.60 -4.05 117.35 114.88 2joq s TYR 21 Ca 0.18 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.13 2joq s TYR 21 Cb -0.16 -1.74 0.04 0.00 -0.11 0.00 0.00 41.96 39.99 2joq s TYR 21 CO 0.10 0.26 0.06 0.50 -1.11 0.00 0.00 175.55 175.36 2joq s ARG 22 N -0.63 2.64 -0.32 -0.62 6.06 0.17 -2.09 118.95 124.17 2joq s ARG 22 Ca 0.09 -1.15 -0.02 0.00 -2.50 0.00 0.00 55.73 52.15 2joq s ARG 22 Cb -0.12 -3.34 0.06 0.00 0.06 0.00 0.00 34.95 31.61 2joq s ARG 22 CO 0.02 -0.61 0.04 0.08 -2.50 0.00 0.00 175.30 172.33 2joq s VAL 23 N 1.37 3.12 -0.38 7.11 1.01 -0.96 -1.15 120.40 130.52 2joq s VAL 23 Ca -0.02 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.38 2joq s VAL 23 Cb -0.19 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.36 2joq s VAL 23 CO 0.01 -0.20 0.24 -0.63 0.00 0.00 0.00 175.10 174.51 2joq s ILE 24 N 1.25 4.88 0.35 2.22 1.01 -0.40 -0.22 121.20 130.28 2joq s ILE 24 Ca -0.03 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.03 2joq s ILE 24 Cb -0.20 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.54 2joq s ILE 24 CO -0.01 -0.21 0.05 -0.04 0.00 0.00 0.00 174.94 174.73 2joq s MET 25 N 1.62 2.14 -0.10 2.79 -1.94 -0.45 -0.70 119.30 122.65 2joq s MET 25 Ca 0.04 -1.73 0.17 0.00 -1.71 0.00 0.00 55.69 52.46 2joq s MET 25 Cb -0.19 -1.97 0.68 0.00 2.01 0.00 0.00 34.83 35.37 2joq s MET 25 CO 0.08 0.10 1.58 0.25 -0.01 0.00 0.00 175.02 177.03 2joq n THR 26 N -1.01 1.69 -3.55 2.05 -2.24 0.16 -0.04 114.28 111.34 2joq n THR 26 Ca -0.04 -1.10 -0.11 0.00 -2.27 0.00 0.00 64.05 60.53 2joq n THR 26 Cb 0.62 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.80 0.02 -1.31 4.28 -1.32 -1.26 -4.86 115.64 109.39 2joq s THR 27 Ca 0.48 -0.33 0.22 0.00 -1.21 0.00 0.00 61.69 60.86 2joq s THR 27 Cb 0.31 -1.18 -0.10 0.00 -1.51 0.00 0.00 72.50 70.01 2joq s THR 27 CO 0.24 -0.10 1.08 0.29 -2.21 0.00 0.00 174.62 173.91 2joq n LYS 28 N -0.34 0.36 -2.49 7.08 5.02 -1.26 -4.69 118.16 121.85 2joq n LYS 28 Ca -0.15 -0.28 -0.42 0.00 -2.02 0.00 0.00 58.31 55.44 2joq n LYS 28 Cb 0.64 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.15 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 -1.08 4.72 -4.17 4.39 2.03 -1.26 -4.90 116.55 116.28 2joq n ASP 29 Ca 0.06 -2.90 -0.37 0.00 0.52 0.00 0.00 54.79 52.11 2joq n ASP 29 Cb 0.37 -1.74 -0.12 0.00 -0.72 0.00 0.00 41.12 38.91 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 4.75 3.44 -0.11 5.18 -1.32 -1.26 -4.89 115.64 121.43 2joq s THR 30 Ca 0.55 -1.69 -0.05 0.00 -1.21 0.00 0.00 61.69 59.29 2joq s THR 30 Cb 0.04 -3.18 -0.05 0.00 -1.51 0.00 0.00 72.50 67.80 2joq s THR 30 CO 0.08 -0.47 -0.14 -1.20 -2.21 0.00 0.00 174.62 170.68 2joq n SER 31 N 4.68 1.00 -0.22 8.08 7.64 -1.26 -4.60 113.62 128.94 2joq n SER 31 Ca -0.07 0.12 0.13 0.00 1.01 0.00 0.00 58.87 60.06 2joq n SER 31 Cb 0.42 -0.31 0.43 0.00 -1.01 0.00 0.00 64.21 63.75 2joq n SER 31 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2joq h THR 32 N -0.35 0.82 -0.29 0.44 2.02 -1.97 -0.63 112.91 112.94 2joq h THR 32 Ca -0.27 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 66.72 2joq h THR 32 Cb 1.25 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 2joq h THR 32 CO -0.16 0.10 0.17 0.25 0.37 0.00 0.00 175.52 176.26 2joq h LEU 33 N 0.57 0.28 -0.28 2.58 5.85 -1.95 -1.50 115.31 120.86 2joq h LEU 33 Ca 0.41 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 2joq h LEU 33 Cb 0.76 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2joq h LEU 33 CO -0.16 0.20 -0.01 0.11 -0.34 0.00 0.00 178.44 178.24 2joq h LYS 34 N 0.35 0.50 -0.48 1.25 1.57 -1.43 -3.01 116.57 115.32 2joq h LYS 34 Ca 0.11 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 2joq h LYS 34 Cb -0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 2joq h LYS 34 CO -0.05 0.66 0.11 0.93 -0.57 0.00 0.00 179.45 180.53 2joq h GLU 35 N 0.28 0.25 -0.18 3.15 5.08 -0.82 0.15 114.58 122.48 2joq h GLU 35 Ca 0.08 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2joq h GLU 35 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2joq h GLU 35 CO 0.02 0.16 -0.24 1.37 -1.00 0.00 0.00 179.01 179.32 2joq h LEU 36 N 0.25 0.33 -0.44 1.33 8.10 -1.30 -2.40 115.31 121.19 2joq h LEU 36 Ca 0.24 -0.10 -0.16 0.00 0.11 0.00 0.00 57.88 57.97 2joq h LEU 36 Cb 0.31 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 2joq h LEU 36 CO -0.30 0.58 -0.41 -0.07 -4.11 0.00 0.00 178.44 174.13 2joq h LEU 37 N 0.30 0.92 -1.23 0.17 3.38 -1.03 -3.18 115.31 114.65 2joq h LEU 37 Ca 0.05 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.56 2joq h LEU 37 Cb 0.59 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2joq h LEU 37 CO 0.04 1.21 -0.13 -0.33 0.09 0.00 0.00 178.44 179.32 2joq h GLU 38 N 0.70 0.00 0.00 1.13 5.08 -0.31 -2.79 114.58 118.39 2joq h GLU 38 Ca 0.05 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2joq h GLU 38 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2joq h GLU 38 CO 0.09 0.13 -0.06 1.79 -1.00 0.00 0.00 179.01 179.97 2joq h THR 39 N 0.00 0.36 -0.00 1.13 1.35 -1.42 -0.06 112.91 114.27 2joq h THR 39 Ca -0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2joq h THR 39 Cb 0.65 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2joq h THR 39 CO 0.02 0.06 -0.12 -1.22 -0.25 0.00 0.00 175.52 174.01 2joq n TYR 40 N -3.48 0.00 -1.72 4.73 4.01 -1.05 -4.91 117.16 114.74 2joq n TYR 40 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 2joq n TYR 40 Cb 0.18 -0.34 -0.06 0.00 -0.31 0.00 0.00 39.34 38.81 2joq n TYR 40 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 2joq n GLN 41 N -1.34 -1.32 -4.40 -0.72 1.13 -0.04 -4.98 117.38 105.72 2joq n GLN 41 Ca 0.10 1.09 -0.26 0.00 -1.94 0.00 0.00 57.00 55.98 2joq n GLN 41 Cb 0.31 -5.42 -0.11 0.00 0.11 0.00 0.00 30.24 25.13 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 -3.86 1.70 0.72 -1.09 1.70 -1.26 -5.12 118.95 111.73 2joq s ARG 42 Ca 0.00 -1.54 -0.12 0.00 -0.47 0.00 0.00 55.73 53.60 2joq s ARG 42 Cb 0.00 -1.90 0.03 0.00 -0.57 0.00 0.00 34.95 32.51 2joq s ARG 42 CO 0.00 0.39 1.09 -1.25 -1.08 0.00 0.00 175.30 174.44 2joq s PRO 43 N -2.97 2.59 0.31 3.89 0.04 -1.26 -4.78 135.00 132.82 2joq s PRO 43 Ca 0.24 1.18 -0.15 0.00 0.04 0.00 0.00 61.00 62.31 2joq s PRO 43 Cb -0.07 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.55 2joq s PRO 43 CO 0.13 -1.39 0.64 -0.59 0.04 0.00 0.00 177.00 175.83 2joq s PHE 44 N -2.78 0.20 0.01 0.56 -0.71 -1.26 -4.06 117.98 109.94 2joq s PHE 44 Ca 0.62 -0.66 0.06 0.00 -1.04 0.00 0.00 56.93 55.90 2joq s PHE 44 Cb -0.17 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2joq s PHE 44 CO 0.51 -1.25 -0.16 0.21 -1.34 0.00 0.00 175.22 173.20 2joq s LYS 45 N -3.42 2.28 -0.26 1.99 2.20 0.62 -4.95 119.74 118.21 2joq s LYS 45 Ca 0.18 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.94 2joq s LYS 45 Cb -0.04 -2.28 0.07 0.00 -1.51 0.00 0.00 37.83 34.07 2joq s LYS 45 CO 0.10 0.58 0.01 -1.17 -0.36 0.00 0.00 175.35 174.51 2joq s LEU 46 N -1.18 2.60 -0.04 5.43 2.96 -1.26 -3.38 118.68 123.81 2joq s LEU 46 Ca 0.14 -1.37 -0.02 0.00 -0.22 0.00 0.00 54.13 52.66 2joq s LEU 46 Cb -0.11 -1.09 0.03 0.00 0.50 0.00 0.00 46.19 45.53 2joq s LEU 46 CO 0.04 -0.31 0.07 -1.61 -1.32 0.00 0.00 176.35 173.22 2joq s GLU 47 N 1.44 -0.07 -0.01 1.98 0.41 -0.77 -4.99 118.70 116.70 2joq s GLU 47 Ca 0.01 0.39 -0.30 0.00 -0.41 0.00 0.00 54.97 54.66 2joq s GLU 47 Cb -0.18 -0.48 -0.04 0.00 -1.78 0.00 0.00 34.13 31.65 2joq s GLU 47 CO -0.11 -0.32 1.21 0.12 -0.49 0.00 0.00 175.26 175.66 2joq s PHE 48 N 2.14 3.27 0.00 1.61 5.36 -1.26 0.47 117.98 129.58 2joq s PHE 48 Ca 0.04 1.24 0.00 0.00 -0.96 0.00 0.00 56.93 57.25 2joq s PHE 48 Cb -0.12 -3.43 0.00 0.00 -0.34 0.00 0.00 43.02 39.13 2joq s PHE 48 CO -0.03 -1.34 0.00 1.63 -1.46 0.00 0.00 175.22 174.02 2joq n LYS 49 N 4.69 0.00 -3.63 10.12 4.76 -0.02 -4.93 118.16 129.15 2joq n LYS 49 Ca 0.10 0.14 -0.16 0.00 -2.87 0.00 0.00 58.31 55.53 2joq n LYS 49 Cb 0.46 -0.54 -0.07 0.00 -1.84 0.00 0.00 35.03 33.04 2joq n LYS 49 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2joq s ASN 50 N -2.55 -0.48 0.23 4.39 2.47 -1.21 -5.03 114.94 112.75 2joq s ASN 50 Ca 0.00 0.55 -0.16 0.00 0.42 0.00 0.00 52.86 53.67 2joq s ASN 50 Cb 0.00 0.55 -0.08 0.00 -1.45 0.00 0.00 41.25 40.27 2joq s ASN 50 CO 0.00 -0.49 0.66 0.28 -3.72 0.00 0.00 177.10 173.83 2joq s THR 51 N -1.02 4.71 1.21 -5.21 -1.32 -1.26 -1.64 115.64 111.10 2joq s THR 51 Ca -0.10 0.99 -0.14 0.00 -1.21 0.00 0.00 61.69 61.23 2joq s THR 51 Cb -0.02 -3.74 0.29 0.00 -1.51 0.00 0.00 72.50 67.52 2joq s THR 51 CO 0.07 0.09 0.92 -0.24 -2.21 0.00 0.00 174.62 173.25 2joq n SER 52 N 0.39 -2.02 -0.14 8.08 2.88 0.58 -4.79 113.62 118.60 2joq n SER 52 Ca -0.01 -0.23 -0.04 0.00 -1.33 0.00 0.00 58.87 57.25 2joq n SER 52 Cb 0.52 -1.21 0.04 0.00 -0.75 0.00 0.00 64.21 62.81 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 -2.75 0.27 -0.02 -1.46 1.79 -1.98 0.89 116.57 113.32 2joq h LYS 53 Ca -0.63 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 57.83 2joq h LYS 53 Cb 1.34 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2joq h LYS 53 CO 0.49 0.18 0.00 -1.71 -1.08 0.00 0.00 179.45 177.33 2joq n ASN 54 N -5.05 0.46 0.00 0.86 5.15 -1.26 -4.89 115.26 110.54 2joq n ASN 54 Ca 0.04 -1.29 0.00 0.00 -0.60 0.00 0.00 54.58 52.73 2joq n ASN 54 Cb 0.18 -0.01 0.00 0.00 -0.53 0.00 0.00 39.78 39.42 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 -0.58 0.00 0.11 5.20 0.00 0.31 -4.80 120.51 120.75 2joq n ALA 55 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.70 2joq n ALA 55 Cb 0.17 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.47 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 0.23 0.00 -6.42 0.00 1.63 -1.90 -3.46 116.57 106.65 2joq h LYS 56 Ca 0.00 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 59.12 2joq h LYS 56 Cb 0.74 0.00 -0.18 0.00 -0.60 0.00 0.00 32.23 32.19 2joq h LYS 56 CO 0.00 0.18 -0.74 -0.06 -3.45 0.00 0.00 179.45 175.39 2joq s PHE 57 N -3.13 2.77 -0.13 1.91 0.08 -1.26 -4.43 117.98 113.79 2joq s PHE 57 Ca 0.01 -0.12 -0.00 0.00 0.12 0.00 0.00 56.93 56.93 2joq s PHE 57 Cb 0.08 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 41.03 2joq s PHE 57 CO 0.77 0.35 -0.07 0.71 -0.10 0.00 0.00 175.22 176.88 2joq s TYR 58 N -1.03 1.58 -0.39 0.36 2.02 0.94 -0.31 117.35 120.52 2joq s TYR 58 Ca 0.17 -0.87 -0.24 0.00 -0.37 0.00 0.00 57.07 55.77 2joq s TYR 58 Cb -0.11 -1.27 0.01 0.00 -0.40 0.00 0.00 41.96 40.19 2joq s TYR 58 CO 0.08 -0.55 0.81 0.45 -1.57 0.00 0.00 175.55 174.77 2joq s SER 59 N 1.68 6.54 0.21 2.29 0.15 -0.65 -1.35 113.70 122.56 2joq s SER 59 Ca 0.04 0.28 0.06 0.00 0.70 0.00 0.00 55.95 57.02 2joq s SER 59 Cb -0.13 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.73 2joq s SER 59 CO -0.08 -0.80 0.19 -0.36 1.20 0.00 0.00 173.24 173.38 2joq s PHE 60 N 3.22 3.17 -0.18 3.44 0.08 0.69 -0.84 117.98 127.56 2joq s PHE 60 Ca 0.32 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.32 2joq s PHE 60 Cb -0.13 -1.47 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2joq s PHE 60 CO 0.19 0.51 -0.16 1.21 -0.10 0.00 0.00 175.22 176.87 2joq s ASN 61 N -3.50 3.46 -0.17 1.36 2.47 0.18 -2.26 114.94 116.48 2joq s ASN 61 Ca 0.32 -0.56 0.01 0.00 0.42 0.00 0.00 52.86 53.05 2joq s ASN 61 Cb -0.09 -1.54 0.02 0.00 -1.45 0.00 0.00 41.25 38.19 2joq s ASN 61 CO 0.25 0.02 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.79 2joq s VAL 62 N 1.19 1.86 -0.10 -5.21 1.01 -0.89 -1.84 120.40 116.42 2joq s VAL 62 Ca 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2joq s VAL 62 Cb -0.14 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.53 2joq s VAL 62 CO -0.07 0.47 -0.11 -0.94 0.00 0.00 0.00 175.10 174.45 2joq s SER 63 N 1.36 2.13 0.09 3.32 1.04 -1.22 -0.29 113.70 120.13 2joq s SER 63 Ca 0.04 -0.33 -0.08 0.00 0.48 0.00 0.00 55.95 56.05 2joq s SER 63 Cb -0.13 -0.90 -0.00 0.00 0.10 0.00 0.00 66.02 65.08 2joq s SER 63 CO -0.12 -0.05 0.18 0.00 0.98 0.00 0.00 173.24 174.24 2joq s MET 64 N 1.25 0.84 0.36 4.02 0.23 -1.16 -0.27 119.30 124.58 2joq s MET 64 Ca -0.03 -0.98 -0.25 0.00 -1.03 0.00 0.00 55.69 53.40 2joq s MET 64 Cb -0.14 0.34 -0.10 0.00 -1.53 0.00 0.00 34.83 33.40 2joq s MET 64 CO -0.04 -0.26 0.96 -1.21 -2.03 0.00 0.00 175.02 172.44 2joq s GLU 65 N -3.87 4.43 -0.09 3.16 2.02 -1.26 -1.12 118.70 121.97 2joq s GLU 65 Ca 0.06 1.31 0.02 0.00 0.02 0.00 0.00 54.97 56.38 2joq s GLU 65 Cb 0.05 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.68 2joq s GLU 65 CO -0.11 0.13 -0.15 0.14 0.02 0.00 0.00 175.26 175.30 2joq s VAL 66 N -1.75 1.42 -0.06 2.63 -7.23 0.07 -4.91 120.40 110.57 2joq s VAL 66 Ca 0.54 -0.61 0.13 0.00 -1.81 0.00 0.00 61.98 60.23 2joq s VAL 66 Cb -0.17 -1.29 -0.10 0.00 0.56 0.00 0.00 36.38 35.38 2joq s VAL 66 CO 0.22 0.42 1.14 0.28 -0.31 0.00 0.00 175.10 176.85 2joq h SER 67 N 7.24 0.00 -5.79 4.85 0.02 -1.95 -2.30 113.55 115.61 2joq h SER 67 Ca -0.30 0.00 -0.41 0.00 -0.84 0.00 0.00 61.79 60.25 2joq h SER 67 Cb 1.18 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.60 2joq h SER 67 CO 0.48 0.72 -0.44 0.54 -1.14 0.00 0.00 176.83 177.00 2joq s ASN 68 N -6.30 1.36 0.11 3.07 2.20 -1.26 -3.95 114.94 110.16 2joq s ASN 68 Ca 0.00 -1.66 0.01 0.00 -0.94 0.00 0.00 52.86 50.27 2joq s ASN 68 Cb 0.09 0.56 -0.19 0.00 -2.00 0.00 0.00 41.25 39.71 2joq s ASN 68 CO 0.79 -1.09 1.25 -0.08 -2.94 0.00 0.00 177.10 175.03 2joq h GLU 69 N 2.18 0.17 -0.86 3.55 4.81 -1.99 -3.22 114.58 119.21 2joq h GLU 69 Ca -0.27 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 58.78 2joq h GLU 69 Cb 1.24 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 2joq h GLU 69 CO 0.38 1.08 0.56 0.77 -0.73 0.00 0.00 179.01 181.08 2joq h SER 70 N 0.06 0.82 -0.56 1.04 0.02 -2.00 -0.44 113.55 112.49 2joq h SER 70 Ca -0.07 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 2joq h SER 70 Cb 1.79 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.14 2joq h SER 70 CO 0.16 0.51 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.99 2joq h GLU 71 N 0.92 1.03 -0.23 3.45 5.08 -1.98 0.70 114.58 123.55 2joq h GLU 71 Ca 0.38 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2joq h GLU 71 Cb 0.29 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2joq h GLU 71 CO -0.15 1.03 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.72 2joq h ARG 72 N 0.93 -0.05 -0.21 2.33 2.43 -1.11 0.11 114.38 118.81 2joq h ARG 72 Ca 0.16 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.23 2joq h ARG 72 Cb 0.60 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2joq h ARG 72 CO 0.04 -0.03 -0.27 -0.91 -1.51 0.00 0.00 179.97 177.28 2joq h ASN 73 N -0.05 0.61 0.09 -3.80 4.21 -1.44 -2.99 115.58 112.21 2joq h ASN 73 Ca 0.12 -0.50 0.02 0.00 1.21 0.00 0.00 56.30 57.14 2joq h ASN 73 Cb 0.23 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 37.20 2joq h ASN 73 CO -0.27 0.99 -0.50 -0.08 -1.29 0.00 0.00 177.43 176.28 2joq h GLU 74 N 0.24 -0.68 -0.81 0.81 4.57 -0.27 -1.39 114.58 117.06 2joq h GLU 74 Ca 0.03 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2joq h GLU 74 Cb 0.84 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 2joq h GLU 74 CO 0.06 -0.46 0.49 0.82 -1.18 0.00 0.00 179.01 178.75 2joq h ILE 75 N -0.71 1.22 -0.53 2.32 2.04 -0.90 -1.80 117.51 119.15 2joq h ILE 75 Ca 0.01 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.42 2joq h ILE 75 Cb 0.73 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 2joq h ILE 75 CO -0.30 0.23 0.30 0.15 0.00 0.00 0.00 178.15 178.54 2joq h PHE 76 N 1.11 0.57 -0.42 1.37 3.57 -1.26 0.48 116.94 122.35 2joq h PHE 76 Ca 0.29 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 2joq h PHE 76 Cb -0.05 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2joq h PHE 76 CO 0.00 0.31 0.15 1.96 -2.23 0.00 0.00 178.31 178.50 2joq h GLN 77 N 0.60 0.65 -0.62 1.11 4.20 -0.66 -3.01 115.11 117.38 2joq h GLN 77 Ca 0.22 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2joq h GLN 77 Cb 0.06 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 2joq h GLN 77 CO -0.12 0.63 0.40 0.87 -0.67 0.00 0.00 178.83 179.94 2joq h LYS 78 N 0.54 0.82 -0.12 1.46 1.79 -0.74 -2.21 116.57 118.11 2joq h LYS 78 Ca 0.14 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 2joq h LYS 78 Cb 0.24 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2joq h LYS 78 CO -0.01 0.56 0.09 0.82 -1.08 0.00 0.00 179.45 179.84 2joq h ILE 79 N 0.84 0.91 -0.16 1.86 2.04 -0.80 -0.62 117.51 121.58 2joq h ILE 79 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2joq h ILE 79 Cb -0.07 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 2joq h ILE 79 CO -0.05 0.00 0.00 -0.24 0.00 0.00 0.00 178.15 177.86 2joq n SER 80 N -4.45 1.04 -1.04 1.72 2.88 -0.83 -3.68 113.62 109.26 2joq n SER 80 Ca -0.00 -1.82 0.10 0.00 -1.33 0.00 0.00 58.87 55.82 2joq n SER 80 Cb 0.21 -0.10 0.22 0.00 -0.75 0.00 0.00 64.21 63.79 2joq n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2joq n GLN 81 N -0.00 2.51 0.26 -1.46 6.02 -0.24 -4.37 117.38 120.10 2joq n GLN 81 Ca 0.11 -2.27 0.16 0.00 -0.01 0.00 0.00 57.00 54.99 2joq n GLN 81 Cb 0.19 -1.45 0.58 0.00 1.02 0.00 0.00 30.24 30.58 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 3.63 0.00 0.00 1.08 3.38 -1.73 -3.46 115.31 118.21 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 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2joq h LEU 82 CO 0.00 0.01 0.00 -0.67 0.09 0.00 0.00 178.44 177.87 2joq n ASP 83 N -3.11 0.00 0.27 -0.43 2.03 -1.26 -4.53 116.55 109.52 2joq n ASP 83 Ca 0.01 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.44 2joq n ASP 83 Cb 0.35 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 41.50 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 -6.18 -0.67 1.57 -1.95 -3.42 116.57 105.92 2joq h LYS 84 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2joq h LYS 84 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 2joq h LYS 84 CO 0.00 0.09 0.33 0.54 -0.57 0.00 0.00 179.45 179.84 2joq s VAL 85 N -4.41 4.91 -0.33 0.50 0.11 -1.26 -0.67 120.40 119.25 2joq s VAL 85 Ca -0.04 1.79 0.18 0.00 -2.93 0.00 0.00 61.98 60.99 2joq s VAL 85 Cb 0.14 -4.20 -0.25 0.00 -1.53 0.00 0.00 36.38 30.54 2joq s VAL 85 CO 0.59 0.13 0.53 1.33 -3.33 0.00 0.00 175.10 174.35 2joq n VAL 86 N 4.15 0.00 -3.69 2.04 0.24 0.13 -4.91 118.33 116.28 2joq n VAL 86 Ca 0.04 -0.29 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 2joq n VAL 86 Cb 0.50 0.43 -0.09 0.00 -1.47 0.00 0.00 33.84 33.21 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 -3.03 0.54 -0.19 7.34 2.00 -1.08 -5.05 119.66 120.19 2joq s GLN 87 Ca -0.02 0.78 -0.02 0.00 -2.00 0.00 0.00 55.36 54.11 2joq s GLN 87 Cb 0.12 0.18 0.06 0.00 0.80 0.00 0.00 33.01 34.16 2joq s GLN 87 CO 0.74 -0.10 0.00 0.95 -0.50 0.00 0.00 175.29 176.38 2joq s THR 88 N 0.76 0.82 -0.32 -0.34 -4.23 -1.26 -1.27 115.64 109.80 2joq s THR 88 Ca -0.04 -0.69 -0.10 0.00 -1.18 0.00 0.00 61.69 59.68 2joq s THR 88 Cb -0.05 -1.22 -0.01 0.00 1.34 0.00 0.00 72.50 72.57 2joq s THR 88 CO -0.06 -0.12 0.17 -0.76 -0.54 0.00 0.00 174.62 173.31 2joq s LEU 89 N 1.73 4.20 -0.23 4.79 2.01 -0.30 -4.96 118.68 125.92 2joq s LEU 89 Ca -0.02 -0.54 0.03 0.00 0.01 0.00 0.00 54.13 53.61 2joq s LEU 89 Cb -0.17 -2.02 0.37 0.00 0.01 0.00 0.00 46.19 44.38 2joq s LEU 89 CO -0.07 -0.21 1.46 0.61 1.01 0.00 0.00 176.35 179.15 2joq n GLY 90 N 5.00 3.24 0.00 -3.19 0.00 -1.26 -0.65 105.19 108.32 2joq n GLY 90 Ca -0.14 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2joq n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06