#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2joq h GLY 2 N 0.00 0.26 -4.11 1.08 0.00 -2.09 -3.45 103.07 94.76 2joq h GLY 2 Ca 0.00 -0.50 -0.50 0.00 0.00 0.00 0.00 47.33 46.34 2joq h GLY 2 CO 0.00 0.44 -0.80 0.30 0.00 0.00 0.00 176.54 176.48 2joq s HIS 3 N -3.10 1.58 0.20 5.60 3.76 -1.26 -5.16 115.29 116.91 2joq s HIS 3 Ca -0.03 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.47 2joq s HIS 3 Cb 0.09 -0.86 -0.05 0.00 1.11 0.00 0.00 32.58 32.88 2joq s HIS 3 CO 0.84 0.17 -0.07 0.00 -0.85 0.00 0.00 174.74 174.84 2joq s MET 4 N -2.04 1.24 1.41 1.40 0.23 -1.26 -5.16 119.30 115.12 2joq s MET 4 Ca 0.05 -1.58 -0.24 0.00 -1.03 0.00 0.00 55.69 52.89 2joq s MET 4 Cb -0.09 -0.72 0.37 0.00 -1.53 0.00 0.00 34.83 32.85 2joq s MET 4 CO 0.04 0.02 0.88 -0.35 -2.03 0.00 0.00 175.02 173.58 2joq n PRO 5 N -0.34 -4.64 -1.77 3.16 -0.04 -1.26 -4.77 135.00 125.35 2joq n PRO 5 Ca -0.08 -1.47 -0.19 0.00 -0.04 0.00 0.00 63.50 61.73 2joq n PRO 5 Cb 0.62 -1.83 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 2joq n PRO 5 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2joq s SER 6 N -3.25 4.17 0.05 3.54 1.04 -1.26 -4.84 113.70 113.15 2joq s SER 6 Ca 0.66 -0.77 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 2joq s SER 6 Cb -0.11 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 63.40 2joq s SER 6 CO 0.55 -3.84 0.00 -1.81 0.98 0.00 0.00 173.24 169.13 2joq s ASP 7 N 8.72 0.41 -0.26 7.02 1.11 -1.26 -5.04 116.67 127.36 2joq s ASP 7 Ca 0.80 -0.90 0.12 0.00 0.18 0.00 0.00 52.55 52.75 2joq s ASP 7 Cb -0.07 0.21 0.59 0.00 1.07 0.00 0.00 42.92 44.73 2joq s ASP 7 CO 0.11 -0.59 1.56 -1.20 1.18 0.00 0.00 175.17 176.23 2joq n SER 8 N 0.22 3.73 -4.76 0.27 7.64 -1.26 -5.02 113.62 114.43 2joq n SER 8 Ca -0.15 -3.33 -0.41 0.00 1.01 0.00 0.00 58.87 56.00 2joq n SER 8 Cb 0.61 -0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 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 -3.02 4.37 -0.52 1.43 2.47 -1.26 -3.88 119.74 119.33 2joq s LYS 9 Ca 0.47 2.18 -0.13 0.00 -1.56 0.00 0.00 55.97 56.94 2joq s LYS 9 Cb 0.39 -3.09 0.02 0.00 -1.46 0.00 0.00 37.83 33.69 2joq s LYS 9 CO 0.08 -0.18 0.63 1.63 0.16 0.00 0.00 175.35 177.66 2joq n LYS 10 N 1.06 -2.05 -2.14 4.03 4.01 -1.26 -4.94 118.16 116.87 2joq n LYS 10 Ca 0.01 1.88 -0.41 0.00 -0.51 0.00 0.00 58.31 59.28 2joq n LYS 10 Cb 0.42 -5.37 -0.03 0.00 -0.51 0.00 0.00 35.03 29.54 2joq n LYS 10 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2joq s PRO 11 N -2.77 4.36 -0.32 1.97 0.04 -1.25 -4.94 135.00 132.09 2joq s PRO 11 Ca 0.19 2.16 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 2joq s PRO 11 Cb -0.05 -3.13 -0.02 0.00 0.04 0.00 0.00 34.50 31.35 2joq s PRO 11 CO 0.78 -0.26 1.73 0.99 0.04 0.00 0.00 177.00 180.28 2joq s THR 12 N -0.39 3.55 -0.08 1.26 2.01 -1.26 -4.97 115.64 115.76 2joq s THR 12 Ca 0.54 0.57 -0.23 0.00 0.31 0.00 0.00 61.69 62.89 2joq s THR 12 Cb -0.39 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.38 2joq s THR 12 CO 0.45 -0.43 0.69 -0.63 -0.69 0.00 0.00 174.62 174.01 2joq s ILE 13 N 6.42 5.04 -0.15 1.82 -1.09 -1.26 -5.05 121.20 126.94 2joq s ILE 13 Ca 0.77 1.42 -0.19 0.00 -2.23 0.00 0.00 60.65 60.41 2joq s ILE 13 Cb -0.22 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 2joq s ILE 13 CO 0.33 0.23 0.55 -0.63 -1.23 0.00 0.00 174.94 174.19 2joq s ILE 14 N 0.96 5.11 0.10 2.92 -1.09 -1.26 -5.08 121.20 122.87 2joq s ILE 14 Ca 0.36 1.07 0.06 0.00 -2.23 0.00 0.00 60.65 59.91 2joq s ILE 14 Cb -0.17 -3.88 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2joq s ILE 14 CO 0.17 0.23 -0.06 -0.31 -1.23 0.00 0.00 174.94 173.74 2joq s TYR 15 N 1.18 2.84 0.56 3.97 1.51 -1.26 -4.11 117.35 122.04 2joq s TYR 15 Ca 0.28 -0.11 -0.12 0.00 -1.01 0.00 0.00 57.07 56.11 2joq s TYR 15 Cb -0.16 -1.47 -0.05 0.00 -0.11 0.00 0.00 41.96 40.17 2joq s TYR 15 CO 0.11 0.45 0.98 -1.25 -1.11 0.00 0.00 175.55 174.73 2joq s PRO 16 N -2.29 3.70 0.20 -1.71 0.04 -1.25 -5.01 135.00 128.68 2joq s PRO 16 Ca 0.23 0.74 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 2joq s PRO 16 Cb -0.11 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2joq s PRO 16 CO 0.16 -0.42 0.89 0.00 0.04 0.00 0.00 177.00 177.67 2joq s LEU 18 N -2.96 3.57 0.10 0.00 1.43 -1.26 -0.79 118.68 118.76 2joq s LEU 18 Ca 0.12 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.54 2joq s LEU 18 Cb -0.03 -3.43 -0.06 0.00 0.03 0.00 0.00 46.19 42.71 2joq s LEU 18 CO 0.04 -1.35 0.37 0.86 0.23 0.00 0.00 176.35 176.50 2joq s TRP 19 N 4.74 3.53 -0.20 0.29 -0.11 0.13 -4.85 118.94 122.46 2joq s TRP 19 Ca 0.48 0.66 -0.01 0.00 1.22 0.00 0.00 56.10 58.45 2joq s TRP 19 Cb -0.08 -2.07 0.01 0.00 -1.50 0.00 0.00 33.47 29.83 2joq s TRP 19 CO 0.30 0.49 -0.13 0.34 -4.62 0.00 0.00 176.95 173.32 2joq s ASP 20 N -2.06 3.63 -0.15 5.86 2.15 -1.26 -1.48 116.67 123.35 2joq s ASP 20 Ca 0.36 -0.58 -0.04 0.00 0.43 0.00 0.00 52.55 52.72 2joq s ASP 20 Cb -0.13 -1.58 -0.03 0.00 -0.30 0.00 0.00 42.92 40.88 2joq s ASP 20 CO 0.21 -0.02 -0.02 -0.31 -0.17 0.00 0.00 175.17 174.86 2joq s TYR 21 N 1.36 3.07 -0.43 -5.34 1.51 0.88 -4.71 117.35 113.68 2joq s TYR 21 Ca 0.05 -0.19 -0.19 0.00 -1.01 0.00 0.00 57.07 55.73 2joq s TYR 21 Cb -0.14 -1.96 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2joq s TYR 21 CO -0.09 0.04 0.53 0.50 -1.11 0.00 0.00 175.55 175.42 2joq s ARG 22 N 0.25 3.17 -0.44 -0.62 6.06 0.11 -1.51 118.95 125.97 2joq s ARG 22 Ca -0.02 -0.62 -0.09 0.00 -2.50 0.00 0.00 55.73 52.51 2joq s ARG 22 Cb -0.14 -3.97 0.10 0.00 0.06 0.00 0.00 34.95 31.00 2joq s ARG 22 CO 0.02 -0.94 0.30 0.08 -2.50 0.00 0.00 175.30 172.26 2joq s VAL 23 N 2.43 4.16 -0.34 7.11 1.01 -0.48 -0.71 120.40 133.58 2joq s VAL 23 Ca 0.16 -1.62 -0.17 0.00 0.00 0.00 0.00 61.98 60.35 2joq s VAL 23 Cb -0.16 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2joq s VAL 23 CO 0.16 -0.64 0.45 -0.63 0.00 0.00 0.00 175.10 174.43 2joq s ILE 24 N 1.38 5.09 0.22 2.22 1.01 0.12 -0.11 121.20 131.12 2joq s ILE 24 Ca 0.05 0.24 0.12 0.00 0.00 0.00 0.00 60.65 61.05 2joq s ILE 24 Cb -0.25 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2joq s ILE 24 CO 0.00 -0.14 -0.22 -0.04 0.00 0.00 0.00 174.94 174.54 2joq s MET 25 N 2.22 1.57 -0.26 2.79 -1.94 0.09 -0.74 119.30 123.04 2joq s MET 25 Ca 0.16 -1.61 0.05 0.00 -1.71 0.00 0.00 55.69 52.58 2joq s MET 25 Cb -0.16 -1.80 0.48 0.00 2.01 0.00 0.00 34.83 35.36 2joq s MET 25 CO 0.12 0.37 1.53 0.25 -0.01 0.00 0.00 175.02 177.29 2joq n THR 26 N -0.04 2.30 -3.57 2.05 -2.24 -0.43 -0.43 114.28 111.90 2joq n THR 26 Ca -0.10 -1.18 -0.12 0.00 -2.27 0.00 0.00 64.05 60.38 2joq n THR 26 Cb 0.57 -0.56 -0.04 0.00 -2.10 0.00 0.00 70.33 68.20 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 -2.20 0.04 -1.95 4.28 -1.32 -1.26 -4.97 115.64 108.26 2joq s THR 27 Ca 0.38 -0.34 0.20 0.00 -1.21 0.00 0.00 61.69 60.72 2joq s THR 27 Cb 0.31 -1.05 0.47 0.00 -1.51 0.00 0.00 72.50 70.72 2joq s THR 27 CO 0.08 -0.19 1.40 0.29 -2.21 0.00 0.00 174.62 173.99 2joq n LYS 28 N 0.01 2.55 -2.72 7.08 5.02 -1.26 -4.79 118.16 124.06 2joq n LYS 28 Ca -0.17 -2.34 -0.42 0.00 -2.02 0.00 0.00 58.31 53.35 2joq n LYS 28 Cb 0.63 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.18 6.63 -0.47 4.39 2.15 -1.26 -4.96 116.67 121.98 2joq s ASP 29 Ca 0.39 -1.90 -0.10 0.00 0.43 0.00 0.00 52.55 51.36 2joq s ASP 29 Cb 0.21 -2.50 0.11 0.00 -0.30 0.00 0.00 42.92 40.44 2joq s ASP 29 CO 0.29 -1.25 0.35 0.28 -0.17 0.00 0.00 175.17 174.66 2joq s THR 30 N 3.82 4.39 0.12 1.71 -1.32 -1.26 -4.73 115.64 118.37 2joq s THR 30 Ca 0.42 -1.64 0.00 0.00 -1.21 0.00 0.00 61.69 59.27 2joq s THR 30 Cb -0.01 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.15 2joq s THR 30 CO -0.07 -0.72 0.00 -0.24 -2.21 0.00 0.00 174.62 171.38 2joq n SER 31 N 4.97 -0.04 -0.33 8.08 2.88 -1.26 -4.82 113.62 123.10 2joq n SER 31 Ca -0.09 0.21 0.24 0.00 -1.33 0.00 0.00 58.87 57.89 2joq n SER 31 Cb 0.41 0.16 0.51 0.00 -0.75 0.00 0.00 64.21 64.55 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 0.49 -0.42 2.46 2.02 -1.98 0.98 112.91 116.45 2joq h THR 32 Ca 0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 2joq h THR 32 Cb 0.05 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 2joq h THR 32 CO 0.00 0.07 0.23 0.25 0.37 0.00 0.00 175.52 176.44 2joq h LEU 33 N 0.37 0.51 -0.33 2.58 5.85 -1.91 -2.99 115.31 119.40 2joq h LEU 33 Ca 0.62 -0.08 -0.19 0.00 0.84 0.00 0.00 57.88 59.07 2joq h LEU 33 Cb 1.59 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.49 2joq h LEU 33 CO -0.32 0.45 -0.64 0.11 -0.34 0.00 0.00 178.44 177.70 2joq h LYS 34 N 0.54 0.71 -0.32 1.25 1.57 -1.18 -3.21 116.57 115.94 2joq h LYS 34 Ca 0.15 -0.50 0.07 0.00 -1.87 0.00 0.00 60.65 58.49 2joq h LYS 34 Cb 0.04 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.36 2joq h LYS 34 CO -0.02 1.12 -0.13 0.93 -0.57 0.00 0.00 179.45 180.78 2joq h GLU 35 N 0.52 -0.07 -0.09 3.15 4.39 -1.10 -0.57 114.58 120.81 2joq h GLU 35 Ca -0.01 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2joq h GLU 35 Cb 1.23 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.89 2joq h GLU 35 CO 0.13 -0.05 -0.24 1.37 -1.16 0.00 0.00 179.01 179.06 2joq h LEU 36 N -0.07 0.15 -0.54 1.33 8.10 -1.59 -2.39 115.31 120.30 2joq h LEU 36 Ca 0.16 -0.04 -0.13 0.00 0.11 0.00 0.00 57.88 57.98 2joq h LEU 36 Cb 0.32 -0.04 -0.01 0.00 -0.44 0.00 0.00 40.66 40.48 2joq h LEU 36 CO -0.37 0.41 -0.22 -0.07 -4.11 0.00 0.00 178.44 174.07 2joq h LEU 37 N 0.15 0.97 -1.16 0.17 3.38 -1.19 -3.04 115.31 114.58 2joq h LEU 37 Ca 0.02 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 2joq h LEU 37 Cb 0.51 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2joq h LEU 37 CO 0.04 1.15 -0.01 -0.33 0.09 0.00 0.00 178.44 179.38 2joq h GLU 38 N 0.82 0.00 0.00 1.13 5.08 -0.65 -2.90 114.58 118.06 2joq h GLU 38 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2joq h GLU 38 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 2joq h GLU 38 CO 0.07 0.01 -0.05 1.79 -1.00 0.00 0.00 179.01 179.83 2joq h THR 39 N 0.00 0.73 0.00 1.13 1.35 -1.37 0.80 112.91 115.55 2joq h THR 39 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 2joq h THR 39 Cb 0.62 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 2joq h THR 39 CO 0.00 0.04 0.00 -1.22 -0.25 0.00 0.00 175.52 174.10 2joq n TYR 40 N -4.05 0.00 -1.42 4.73 4.02 -1.09 -4.89 117.16 114.46 2joq n TYR 40 Ca -0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.72 2joq n TYR 40 Cb 0.13 -0.47 -0.06 0.00 -0.02 0.00 0.00 39.34 38.92 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 -1.47 -1.49 -4.10 -0.72 1.13 0.27 -4.97 117.38 106.03 2joq n GLN 41 Ca 0.08 1.00 -0.30 0.00 -1.94 0.00 0.00 57.00 55.84 2joq n GLN 41 Cb 0.31 -5.35 -0.07 0.00 0.11 0.00 0.00 30.24 25.24 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 -3.19 2.69 0.77 -1.09 1.70 -1.26 -5.11 118.95 113.47 2joq s ARG 42 Ca 0.00 -0.79 -0.11 0.00 -0.47 0.00 0.00 55.73 54.36 2joq s ARG 42 Cb 0.00 -2.61 0.06 0.00 -0.57 0.00 0.00 34.95 31.82 2joq s ARG 42 CO 0.00 0.54 1.10 -1.25 -1.08 0.00 0.00 175.30 174.61 2joq s PRO 43 N -2.42 2.22 -0.02 3.89 0.04 -1.26 -4.75 135.00 132.71 2joq s PRO 43 Ca 0.28 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 62.28 2joq s PRO 43 Cb -0.12 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.59 2joq s PRO 43 CO 0.20 -1.68 0.58 -0.59 0.04 0.00 0.00 177.00 175.55 2joq s PHE 44 N -2.83 -0.52 -0.29 0.56 -0.71 -1.26 -3.80 117.98 109.13 2joq s PHE 44 Ca 0.62 0.80 -0.05 0.00 -1.04 0.00 0.00 56.93 57.27 2joq s PHE 44 Cb -0.18 0.34 0.03 0.00 -1.21 0.00 0.00 43.02 42.00 2joq s PHE 44 CO 0.55 -0.58 0.04 0.21 -1.34 0.00 0.00 175.22 174.09 2joq s LYS 45 N -1.57 2.80 -0.22 1.99 2.36 0.71 -4.94 119.74 120.88 2joq s LYS 45 Ca -0.10 -1.03 -0.07 0.00 -2.55 0.00 0.00 55.97 52.21 2joq s LYS 45 Cb -0.01 -3.26 -0.03 0.00 -1.05 0.00 0.00 37.83 33.47 2joq s LYS 45 CO 0.06 -0.52 0.06 -1.17 1.55 0.00 0.00 175.35 175.34 2joq s LEU 46 N 1.39 3.61 -0.01 5.43 2.96 -1.26 -1.04 118.68 129.77 2joq s LEU 46 Ca -0.00 -0.07 -0.03 0.00 -0.22 0.00 0.00 54.13 53.81 2joq s LEU 46 Cb -0.18 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.57 2joq s LEU 46 CO 0.00 0.07 0.06 -1.61 -1.32 0.00 0.00 176.35 173.55 2joq s GLU 47 N 1.00 0.18 -0.45 1.98 0.41 -0.48 -4.98 118.70 116.36 2joq s GLU 47 Ca 0.04 -0.11 -0.23 0.00 -0.41 0.00 0.00 54.97 54.25 2joq s GLU 47 Cb -0.14 0.08 0.03 0.00 -1.78 0.00 0.00 34.13 32.31 2joq s GLU 47 CO 0.03 -0.03 0.79 0.12 -0.49 0.00 0.00 175.26 175.68 2joq s PHE 48 N -0.46 2.99 -0.02 1.61 5.36 -1.26 0.59 117.98 126.80 2joq s PHE 48 Ca -0.05 0.16 -0.05 0.00 -0.96 0.00 0.00 56.93 56.03 2joq s PHE 48 Cb -0.03 -3.67 -0.03 0.00 -0.34 0.00 0.00 43.02 38.94 2joq s PHE 48 CO 0.00 -0.99 0.44 0.87 -1.46 0.00 0.00 175.22 174.08 2joq h LYS 49 N 8.99 -0.18 -1.68 10.12 1.79 -1.12 -3.49 116.57 130.99 2joq h LYS 49 Ca -0.25 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.28 2joq h LYS 49 Cb 1.09 0.04 -0.24 0.00 -1.58 0.00 0.00 32.23 31.53 2joq h LYS 49 CO 0.96 -0.12 0.40 1.21 -1.08 0.00 0.00 179.45 180.82 2joq s ASN 50 N -3.53 -0.50 -0.13 0.86 3.84 -1.12 -5.02 114.94 109.34 2joq s ASN 50 Ca -0.03 0.88 -0.14 0.00 0.21 0.00 0.00 52.86 53.79 2joq s ASN 50 Cb 0.00 0.87 -0.05 0.00 -0.55 0.00 0.00 41.25 41.52 2joq s ASN 50 CO 0.08 -0.22 0.32 0.28 -2.79 0.00 0.00 177.10 174.77 2joq s THR 51 N -0.04 5.27 0.85 -5.21 -1.32 -1.26 -0.80 115.64 113.13 2joq s THR 51 Ca 0.01 0.60 -0.13 0.00 -1.21 0.00 0.00 61.69 60.97 2joq s THR 51 Cb -0.04 -3.64 0.08 0.00 -1.51 0.00 0.00 72.50 67.38 2joq s THR 51 CO -0.03 0.44 0.98 -1.20 -2.21 0.00 0.00 174.62 172.59 2joq n SER 52 N 3.15 0.08 0.11 8.08 7.64 -0.06 -4.82 113.62 127.80 2joq n SER 52 Ca -0.12 0.50 0.14 0.00 1.01 0.00 0.00 58.87 60.40 2joq n SER 52 Cb 0.52 -1.42 0.65 0.00 -1.01 0.00 0.00 64.21 62.95 2joq n SER 52 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2joq h LYS 53 N -1.19 0.04 0.00 1.43 2.10 -1.98 0.32 116.57 117.29 2joq h LYS 53 Ca -0.45 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2joq h LYS 53 Cb 1.30 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2joq h LYS 53 CO 0.42 0.03 0.00 -0.91 -2.00 0.00 0.00 179.45 176.99 2joq h ASN 54 N 0.04 0.00 -0.28 7.07 4.21 -1.95 -3.46 115.58 121.21 2joq h ASN 54 Ca 0.14 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.52 2joq h ASN 54 Cb 0.49 0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 37.64 2joq h ASN 54 CO -0.01 0.00 -0.11 0.00 -1.29 0.00 0.00 177.43 176.02 2joq n ALA 55 N -2.04 -0.09 -0.03 -0.83 0.00 0.11 -4.82 120.51 112.80 2joq n ALA 55 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 2joq n ALA 55 Cb 0.25 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 2joq n ALA 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2joq n LYS 56 N -1.03 0.65 -3.83 0.00 3.00 -1.26 -4.82 118.16 110.86 2joq n LYS 56 Ca -0.06 0.18 -0.36 0.00 -0.00 0.00 0.00 58.31 58.07 2joq n LYS 56 Cb 0.42 -1.71 -0.13 0.00 0.00 0.00 0.00 35.03 33.61 2joq n LYS 56 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2joq s PHE 57 N -2.67 3.35 -0.29 5.64 0.08 -1.26 -4.25 117.98 118.58 2joq s PHE 57 Ca -0.06 -1.90 -0.13 0.00 0.12 0.00 0.00 56.93 54.96 2joq s PHE 57 Cb 0.08 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 40.04 2joq s PHE 57 CO 0.83 -0.83 0.27 0.71 -0.10 0.00 0.00 175.22 176.10 2joq s TYR 58 N 1.26 3.23 -0.33 0.36 2.02 0.42 -0.88 117.35 123.43 2joq s TYR 58 Ca -0.01 0.15 -0.17 0.00 -0.37 0.00 0.00 57.07 56.68 2joq s TYR 58 Cb -0.21 -2.49 -0.01 0.00 -0.40 0.00 0.00 41.96 38.86 2joq s TYR 58 CO -0.01 -0.24 0.44 -1.12 -1.57 0.00 0.00 175.55 173.05 2joq s SER 59 N 1.72 6.26 0.32 2.29 0.01 0.02 -0.73 113.70 123.60 2joq s SER 59 Ca 0.10 -0.03 0.07 0.00 1.31 0.00 0.00 55.95 57.40 2joq s SER 59 Cb -0.16 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2joq s SER 59 CO 0.11 -0.38 0.34 -0.36 0.41 0.00 0.00 173.24 173.36 2joq s PHE 60 N 2.21 3.01 -0.07 2.43 0.08 0.84 -0.55 117.98 125.94 2joq s PHE 60 Ca 0.16 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.97 2joq s PHE 60 Cb -0.16 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2joq s PHE 60 CO 0.12 0.17 -0.06 1.21 -0.10 0.00 0.00 175.22 176.56 2joq s ASN 61 N -4.03 1.49 -0.19 1.36 2.47 0.20 -1.38 114.94 114.85 2joq s ASN 61 Ca 0.41 -0.19 0.01 0.00 0.42 0.00 0.00 52.86 53.51 2joq s ASN 61 Cb -0.07 -0.60 0.03 0.00 -1.45 0.00 0.00 41.25 39.15 2joq s ASN 61 CO 0.28 -0.08 -0.18 -0.69 -3.72 0.00 0.00 177.10 172.71 2joq s VAL 62 N 1.24 2.13 -0.29 -5.21 1.01 -0.57 -1.38 120.40 117.33 2joq s VAL 62 Ca -0.05 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.91 2joq s VAL 62 Cb -0.14 -1.95 0.07 0.00 0.00 0.00 0.00 36.38 34.36 2joq s VAL 62 CO -0.02 0.45 -0.03 -0.44 0.00 0.00 0.00 175.10 175.05 2joq s SER 63 N 1.27 4.67 0.05 3.32 0.01 -0.20 -0.08 113.70 122.73 2joq s SER 63 Ca 0.03 -1.55 0.02 0.00 1.31 0.00 0.00 55.95 55.76 2joq s SER 63 Cb -0.14 -1.62 -0.03 0.00 0.21 0.00 0.00 66.02 64.44 2joq s SER 63 CO -0.11 -0.26 -0.08 0.00 0.41 0.00 0.00 173.24 173.19 2joq s MET 64 N 1.10 0.57 -0.24 12.44 0.23 -0.55 -0.21 119.30 132.65 2joq s MET 64 Ca -0.03 -0.83 -0.29 0.00 -1.03 0.00 0.00 55.69 53.51 2joq s MET 64 Cb -0.20 -0.31 -0.01 0.00 -1.53 0.00 0.00 34.83 32.79 2joq s MET 64 CO -0.05 0.05 1.38 -1.21 -2.03 0.00 0.00 175.02 173.16 2joq s GLU 65 N -1.82 3.97 -0.21 3.16 2.02 -1.25 -0.70 118.70 123.87 2joq s GLU 65 Ca -0.07 1.47 -0.12 0.00 0.02 0.00 0.00 54.97 56.26 2joq s GLU 65 Cb -0.08 -3.89 -0.05 0.00 0.10 0.00 0.00 34.13 30.21 2joq s GLU 65 CO -0.00 -1.06 0.24 0.14 0.02 0.00 0.00 175.26 174.60 2joq s VAL 66 N 4.36 5.32 0.20 2.63 -7.23 0.03 -4.90 120.40 120.80 2joq s VAL 66 Ca 0.60 0.38 -0.09 0.00 -1.81 0.00 0.00 61.98 61.07 2joq s VAL 66 Cb -0.20 -3.58 0.11 0.00 0.56 0.00 0.00 36.38 33.27 2joq s VAL 66 CO 0.23 0.34 1.71 0.28 -0.31 0.00 0.00 175.10 177.35 2joq h SER 67 N 7.20 1.08 -1.88 4.85 0.02 -1.95 -2.97 113.55 119.90 2joq h SER 67 Ca -0.38 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 60.35 2joq h SER 67 Cb 1.16 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 2joq h SER 67 CO 0.71 1.03 0.21 -0.46 -1.14 0.00 0.00 176.83 177.18 2joq n ASN 68 N -4.24 -1.11 -0.23 3.07 6.94 -1.26 -3.80 115.26 114.63 2joq n ASN 68 Ca 0.05 -1.70 -0.00 0.00 -0.02 0.00 0.00 54.58 52.91 2joq n ASN 68 Cb 0.26 1.83 0.12 0.00 -2.36 0.00 0.00 39.78 39.63 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 0.58 -0.24 -3.83 4.57 -1.99 -2.40 114.58 111.27 2joq h GLU 69 Ca -0.17 -0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.04 2joq h GLU 69 Cb 0.65 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 29.05 2joq h GLU 69 CO 0.21 0.39 -0.16 0.77 -1.18 0.00 0.00 179.01 179.04 2joq h SER 70 N 0.60 -0.51 -0.59 1.04 0.02 -2.00 -1.86 113.55 110.24 2joq h SER 70 Ca 0.32 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.40 2joq h SER 70 Cb 0.30 0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.07 2joq h SER 70 CO -0.24 -0.20 0.37 -0.33 -1.14 0.00 0.00 176.83 175.30 2joq h GLU 71 N -0.14 0.72 -0.05 3.45 4.39 -1.85 0.25 114.58 121.34 2joq h GLU 71 Ca 0.13 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2joq h GLU 71 Cb 0.35 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2joq h GLU 71 CO -0.33 0.48 0.03 -0.09 -1.16 0.00 0.00 179.01 177.94 2joq h ARG 72 N 0.74 0.07 0.10 2.33 1.12 -0.90 -0.22 114.38 117.62 2joq h ARG 72 Ca 0.23 -0.00 -0.31 0.00 -1.11 0.00 0.00 59.98 58.78 2joq h ARG 72 Cb -0.01 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2joq h ARG 72 CO -0.09 0.06 -1.67 -0.91 -3.11 0.00 0.00 179.97 174.25 2joq h ASN 73 N 0.07 0.34 0.11 -3.80 2.35 -1.02 -3.33 115.58 110.30 2joq h ASN 73 Ca 0.02 -0.84 0.01 0.00 -0.55 0.00 0.00 56.30 54.94 2joq h ASN 73 Cb 0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.25 2joq h ASN 73 CO -0.00 1.72 -0.16 -0.08 -1.65 0.00 0.00 177.43 177.25 2joq h GLU 74 N -0.24 -0.31 -0.94 0.81 4.81 -0.44 -2.24 114.58 116.01 2joq h GLU 74 Ca -0.37 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 58.97 2joq h GLU 74 Cb 1.82 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 31.20 2joq h GLU 74 CO 0.03 -0.21 0.59 0.82 -0.73 0.00 0.00 179.01 179.51 2joq h ILE 75 N -0.32 0.99 -0.12 2.32 2.04 -1.26 -1.09 117.51 120.06 2joq h ILE 75 Ca 0.02 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.55 2joq h ILE 75 Cb 0.33 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 2joq h ILE 75 CO -0.07 0.18 -0.00 0.15 0.00 0.00 0.00 178.15 178.41 2joq h PHE 76 N 1.01 -0.01 -0.57 1.37 3.57 -1.57 0.10 116.94 120.85 2joq h PHE 76 Ca 0.44 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2joq h PHE 76 Cb 0.31 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2joq h PHE 76 CO -0.02 -0.02 0.37 1.96 -2.23 0.00 0.00 178.31 178.37 2joq h GLN 77 N 0.04 0.75 -0.29 1.11 4.20 -0.77 -2.28 115.11 117.88 2joq h GLN 77 Ca 0.06 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2joq h GLN 77 Cb 0.07 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 2joq h GLN 77 CO -0.10 0.50 -0.45 0.87 -0.67 0.00 0.00 178.83 178.98 2joq h LYS 78 N 0.77 0.74 0.00 1.46 1.79 -0.30 -3.11 116.57 117.93 2joq h LYS 78 Ca 0.21 -0.41 -0.05 0.00 -2.18 0.00 0.00 60.65 58.21 2joq h LYS 78 Cb -0.08 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2joq h LYS 78 CO -0.04 1.04 -0.24 0.82 -1.08 0.00 0.00 179.45 179.95 2joq h ILE 79 N 0.59 1.17 -0.17 1.86 2.04 -0.25 -1.91 117.51 120.85 2joq h ILE 79 Ca 0.04 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2joq h ILE 79 Cb 1.01 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2joq h ILE 79 CO 0.10 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 176.94 2joq n SER 80 N -4.26 1.00 -0.46 1.72 3.41 -1.08 -3.58 113.62 110.36 2joq n SER 80 Ca -0.02 -1.90 0.13 0.00 -0.26 0.00 0.00 58.87 56.82 2joq n SER 80 Cb 0.29 -0.11 0.35 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.00 1.40 0.25 4.33 6.02 -0.72 -4.26 117.38 124.41 2joq n GLN 81 Ca 0.08 -0.93 0.12 0.00 -0.01 0.00 0.00 57.00 56.26 2joq n GLN 81 Cb 0.17 -1.48 0.66 0.00 1.02 0.00 0.00 30.24 30.61 2joq n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2joq h LEU 82 N 2.27 0.00 0.00 1.08 3.38 -1.75 -3.46 115.31 116.83 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 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2joq h LEU 82 CO 0.00 0.15 0.00 -0.67 0.09 0.00 0.00 178.44 178.01 2joq n ASP 83 N -3.61 0.00 0.26 -0.43 2.03 -1.26 -4.52 116.55 109.02 2joq n ASP 83 Ca -0.01 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.45 2joq n ASP 83 Cb 0.28 0.00 0.61 0.00 -0.72 0.00 0.00 41.12 41.29 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 -6.62 -0.67 1.57 -1.94 -3.44 116.57 105.47 2joq h LYS 84 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2joq h LYS 84 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2joq h LYS 84 CO 0.00 0.07 0.41 0.54 -0.57 0.00 0.00 179.45 179.90 2joq s VAL 85 N -3.66 4.20 -0.08 0.50 0.11 -1.26 -1.31 120.40 118.89 2joq s VAL 85 Ca 0.01 1.88 0.13 0.00 -2.93 0.00 0.00 61.98 61.07 2joq s VAL 85 Cb 0.09 -4.20 -0.19 0.00 -1.53 0.00 0.00 36.38 30.55 2joq s VAL 85 CO 0.57 0.32 0.17 0.55 -3.33 0.00 0.00 175.10 173.38 2joq n VAL 86 N 2.51 0.51 -3.65 2.04 3.14 0.09 -4.88 118.33 118.08 2joq n VAL 86 Ca 0.02 -0.47 -0.04 0.00 -2.96 0.00 0.00 64.34 60.90 2joq n VAL 86 Cb 0.48 -0.27 -0.06 0.00 -1.06 0.00 0.00 33.84 32.93 2joq n VAL 86 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2joq s GLN 87 N -2.64 0.59 -0.17 1.45 2.00 -0.63 -5.05 119.66 115.21 2joq s GLN 87 Ca -0.06 1.31 -0.03 0.00 -2.00 0.00 0.00 55.36 54.58 2joq s GLN 87 Cb 0.06 0.55 -0.02 0.00 0.80 0.00 0.00 33.01 34.41 2joq s GLN 87 CO 0.58 -0.19 -0.05 0.95 -0.50 0.00 0.00 175.29 176.08 2joq s THR 88 N 2.41 3.66 -0.15 -0.34 -4.23 -1.26 -0.70 115.64 115.03 2joq s THR 88 Ca -0.07 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.02 2joq s THR 88 Cb -0.10 -2.61 -0.00 0.00 1.34 0.00 0.00 72.50 71.13 2joq s THR 88 CO -0.18 0.48 -0.16 -0.76 -0.54 0.00 0.00 174.62 173.46 2joq s LEU 89 N 0.60 2.46 -0.23 4.79 2.01 0.12 -5.01 118.68 123.42 2joq s LEU 89 Ca -0.03 -0.46 -0.11 0.00 0.01 0.00 0.00 54.13 53.53 2joq s LEU 89 Cb -0.15 -1.55 -0.18 0.00 0.01 0.00 0.00 46.19 44.33 2joq s LEU 89 CO 0.03 0.10 -0.05 0.61 1.01 0.00 0.00 176.35 178.05 2joq n GLY 90 N 3.93 -0.55 0.00 -3.19 0.00 -1.26 -0.71 105.19 103.41 2joq n GLY 90 Ca -0.19 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2joq n GLY 90 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18