#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 3.66 3.24 2.61 0.00 -1.26 -5.12 105.19 108.32 2joq n GLY 2 Ca 0.00 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.12 2joq n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2joq s HIS 3 N -2.06 1.71 -0.04 1.61 3.76 -1.26 -5.13 115.29 113.87 2joq s HIS 3 Ca 0.00 -0.38 -0.23 0.00 -0.15 0.00 0.00 55.06 54.30 2joq s HIS 3 Cb 0.00 -1.00 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 2joq s HIS 3 CO 0.00 0.10 0.67 -1.64 -0.85 0.00 0.00 174.74 173.03 2joq s MET 4 N -1.31 4.42 -0.75 1.40 -1.94 -1.26 -4.95 119.30 114.90 2joq s MET 4 Ca 0.06 0.85 -0.29 0.00 -1.71 0.00 0.00 55.69 54.60 2joq s MET 4 Cb -0.09 -3.41 -0.15 0.00 2.01 0.00 0.00 34.83 33.19 2joq s MET 4 CO 0.02 0.16 2.56 -2.30 -0.01 0.00 0.00 175.02 175.45 2joq n PRO 5 N 3.43 0.48 -3.93 2.03 -0.02 -1.26 -4.88 135.00 130.85 2joq n PRO 5 Ca -0.03 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.15 2joq n PRO 5 Cb 0.51 -2.37 -0.14 0.00 -0.02 0.00 0.00 33.50 31.48 2joq n PRO 5 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2joq s SER 6 N 10.30 4.41 -0.41 2.55 0.01 -1.26 -5.08 113.70 124.21 2joq s SER 6 Ca 1.19 -2.39 -0.29 0.00 1.31 0.00 0.00 55.95 55.76 2joq s SER 6 Cb -0.78 -1.46 0.02 0.00 0.21 0.00 0.00 66.02 64.00 2joq s SER 6 CO 0.39 -0.33 1.17 -1.81 0.41 0.00 0.00 173.24 173.07 2joq s ASP 7 N 0.59 6.68 -0.23 2.44 1.11 -1.26 -4.98 116.67 121.02 2joq s ASP 7 Ca 0.13 0.72 -0.14 0.00 0.18 0.00 0.00 52.55 53.44 2joq s ASP 7 Cb -0.21 -2.55 0.07 0.00 1.07 0.00 0.00 42.92 41.30 2joq s ASP 7 CO -0.07 -1.16 0.58 -0.55 1.18 0.00 0.00 175.17 175.15 2joq s SER 8 N 2.44 -0.75 -0.42 0.27 0.15 -1.26 -5.10 113.70 109.02 2joq s SER 8 Ca 0.49 1.26 -0.27 0.00 0.70 0.00 0.00 55.95 58.14 2joq s SER 8 Cb -0.10 1.15 -0.07 0.00 -1.71 0.00 0.00 66.02 65.30 2joq s SER 8 CO 0.27 -0.22 2.37 1.17 1.20 0.00 0.00 173.24 178.03 2joq n LYS 9 N 4.06 1.28 -1.86 5.44 3.00 -1.26 -4.92 118.16 123.90 2joq n LYS 9 Ca -0.20 0.14 -0.41 0.00 -0.00 0.00 0.00 58.31 57.83 2joq n LYS 9 Cb 0.57 -3.39 -0.01 0.00 0.00 0.00 0.00 35.03 32.20 2joq n LYS 9 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2joq s LYS 10 N 7.78 4.16 -0.00 1.64 -0.14 -1.26 -4.93 119.74 126.99 2joq s LYS 10 Ca 0.99 2.50 -0.30 0.00 -1.36 0.00 0.00 55.97 57.80 2joq s LYS 10 Cb -0.22 -3.02 -0.07 0.00 -1.68 0.00 0.00 37.83 32.83 2joq s LYS 10 CO 0.29 -0.52 1.69 -1.25 -0.76 0.00 0.00 175.35 174.79 2joq s PRO 11 N -1.12 4.19 -0.41 -1.68 0.04 -1.26 -4.94 135.00 129.81 2joq s PRO 11 Ca 0.58 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 63.61 2joq s PRO 11 Cb -0.46 -3.87 0.01 0.00 0.04 0.00 0.00 34.50 30.23 2joq s PRO 11 CO 0.53 -0.81 1.35 0.99 0.04 0.00 0.00 177.00 179.09 2joq s THR 12 N 3.58 3.99 0.01 1.26 2.01 -1.26 -5.00 115.64 120.23 2joq s THR 12 Ca 0.75 1.02 -0.18 0.00 0.31 0.00 0.00 61.69 63.59 2joq s THR 12 Cb -0.37 -4.26 -0.06 0.00 0.01 0.00 0.00 72.50 67.82 2joq s THR 12 CO 0.32 -0.76 0.52 -0.63 -0.69 0.00 0.00 174.62 173.38 2joq s ILE 13 N 5.13 4.90 -0.58 1.82 -1.09 -1.26 -5.03 121.20 125.09 2joq s ILE 13 Ca 0.58 1.09 -0.22 0.00 -2.23 0.00 0.00 60.65 59.88 2joq s ILE 13 Cb -0.13 -3.85 0.06 0.00 -1.58 0.00 0.00 42.46 36.96 2joq s ILE 13 CO 0.31 0.51 0.84 -0.63 -1.23 0.00 0.00 174.94 174.74 2joq s ILE 14 N -0.70 4.54 0.09 2.92 -1.09 -1.26 -5.04 121.20 120.65 2joq s ILE 14 Ca 0.28 -0.24 -0.09 0.00 -2.23 0.00 0.00 60.65 58.36 2joq s ILE 14 Cb -0.18 -4.52 -0.06 0.00 -1.58 0.00 0.00 42.46 36.13 2joq s ILE 14 CO 0.16 -1.14 0.40 -0.31 -1.23 0.00 0.00 174.94 172.82 2joq s TYR 15 N 3.52 3.57 0.52 3.97 1.51 -1.26 -3.92 117.35 125.26 2joq s TYR 15 Ca 0.22 0.77 -0.16 0.00 -1.01 0.00 0.00 57.07 56.89 2joq s TYR 15 Cb -0.17 -2.15 -0.08 0.00 -0.11 0.00 0.00 41.96 39.46 2joq s TYR 15 CO 0.13 0.51 0.99 -2.14 -1.11 0.00 0.00 175.55 173.93 2joq s PRO 16 N -1.99 3.91 0.11 -1.71 0.02 -1.26 -5.02 135.00 129.05 2joq s PRO 16 Ca 0.34 0.95 -0.25 0.00 0.02 0.00 0.00 61.00 62.06 2joq s PRO 16 Cb -0.14 -2.13 0.08 0.00 0.02 0.00 0.00 34.50 32.33 2joq s PRO 16 CO 0.19 -0.31 0.74 0.00 -0.33 0.00 0.00 177.00 177.29 2joq s LEU 18 N -2.67 4.21 0.05 0.00 1.43 -1.26 -0.74 118.68 119.71 2joq s LEU 18 Ca 0.04 1.69 0.08 0.00 -1.03 0.00 0.00 54.13 54.91 2joq s LEU 18 Cb -0.01 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2joq s LEU 18 CO -0.09 -0.66 -0.21 0.86 0.23 0.00 0.00 176.35 176.48 2joq s TRP 19 N 2.87 2.48 -0.09 0.29 -0.11 -0.07 -4.88 118.94 119.43 2joq s TRP 19 Ca 0.53 -0.31 -0.18 0.00 1.22 0.00 0.00 56.10 57.36 2joq s TRP 19 Cb -0.22 -1.42 -0.04 0.00 -1.50 0.00 0.00 33.47 30.29 2joq s TRP 19 CO 0.17 0.23 0.49 -0.51 -4.62 0.00 0.00 176.95 172.71 2joq s ASP 20 N -1.47 6.75 -0.21 5.86 1.01 -1.26 -2.03 116.67 125.32 2joq s ASP 20 Ca 0.14 0.89 0.02 0.00 0.71 0.00 0.00 52.55 54.30 2joq s ASP 20 Cb -0.10 -2.30 0.04 0.00 1.01 0.00 0.00 42.92 41.57 2joq s ASP 20 CO 0.05 0.04 -0.13 -0.31 0.21 0.00 0.00 175.17 175.02 2joq s TYR 21 N 0.36 2.78 -0.41 4.23 1.51 0.11 -4.80 117.35 121.13 2joq s TYR 21 Ca 0.27 -1.83 -0.25 0.00 -1.01 0.00 0.00 57.07 54.25 2joq s TYR 21 Cb -0.16 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2joq s TYR 21 CO 0.12 -0.80 0.87 0.50 -1.11 0.00 0.00 175.55 175.12 2joq s ARG 22 N 1.28 3.66 -0.30 -0.62 6.06 -0.10 -0.67 118.95 128.26 2joq s ARG 22 Ca -0.02 0.28 -0.03 0.00 -2.50 0.00 0.00 55.73 53.46 2joq s ARG 22 Cb -0.16 -3.86 0.04 0.00 0.06 0.00 0.00 34.95 31.03 2joq s ARG 22 CO -0.09 -1.03 0.02 0.08 -2.50 0.00 0.00 175.30 171.78 2joq s VAL 23 N 3.44 3.21 -0.37 7.11 1.01 0.39 -1.21 120.40 133.99 2joq s VAL 23 Ca 0.35 -1.24 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 2joq s VAL 23 Cb -0.12 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.47 2joq s VAL 23 CO 0.21 -0.07 0.24 -0.63 0.00 0.00 0.00 175.10 174.85 2joq s ILE 24 N 1.31 4.97 0.30 2.22 1.01 -0.75 -0.30 121.20 129.96 2joq s ILE 24 Ca -0.03 -0.59 0.10 0.00 0.00 0.00 0.00 60.65 60.13 2joq s ILE 24 Cb -0.19 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 2joq s ILE 24 CO -0.00 -0.17 -0.13 -0.04 0.00 0.00 0.00 174.94 174.60 2joq s MET 25 N 1.64 1.69 -0.06 2.79 -1.94 -0.58 -0.95 119.30 121.89 2joq s MET 25 Ca 0.04 -1.83 0.14 0.00 -1.71 0.00 0.00 55.69 52.33 2joq s MET 25 Cb -0.18 -1.58 0.50 0.00 2.01 0.00 0.00 34.83 35.57 2joq s MET 25 CO 0.09 0.19 1.38 0.25 -0.01 0.00 0.00 175.02 176.91 2joq n THR 26 N -0.67 1.12 -4.30 2.05 -2.24 -1.07 -0.28 114.28 108.90 2joq n THR 26 Ca -0.05 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.77 2joq n THR 26 Cb 0.62 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.63 1.25 -0.53 4.28 -1.32 -1.26 -4.88 115.64 111.54 2joq s THR 27 Ca 0.36 -2.08 0.22 0.00 -1.21 0.00 0.00 61.69 58.98 2joq s THR 27 Cb 0.22 -2.06 -0.16 0.00 -1.51 0.00 0.00 72.50 68.99 2joq s THR 27 CO 0.19 -0.58 0.92 0.29 -2.21 0.00 0.00 174.62 173.24 2joq n LYS 28 N -0.31 0.34 -2.65 7.08 4.76 -1.26 -4.75 118.16 121.37 2joq n LYS 28 Ca -0.08 -0.03 -0.43 0.00 -2.87 0.00 0.00 58.31 54.90 2joq n LYS 28 Cb 0.62 -1.58 -0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2joq n LYS 28 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2joq s ASP 29 N -4.01 6.85 -0.73 4.39 2.15 -1.26 -4.92 116.67 119.14 2joq s ASP 29 Ca 0.02 -2.46 -0.27 0.00 0.43 0.00 0.00 52.55 50.27 2joq s ASP 29 Cb 0.14 -2.55 0.03 0.00 -0.30 0.00 0.00 42.92 40.24 2joq s ASP 29 CO 0.83 -1.12 1.32 0.28 -0.17 0.00 0.00 175.17 176.31 2joq s THR 30 N 3.81 3.70 0.00 1.71 -1.32 -1.26 -4.73 115.64 117.54 2joq s THR 30 Ca 0.51 0.40 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 2joq s THR 30 Cb 0.02 -4.84 0.00 0.00 -1.51 0.00 0.00 72.50 66.17 2joq s THR 30 CO 0.05 -1.78 0.00 -1.54 -2.21 0.00 0.00 174.62 169.14 2joq n SER 31 N 9.61 0.00 -0.32 8.08 3.41 -1.26 -4.68 113.62 128.47 2joq n SER 31 Ca 0.04 0.00 0.23 0.00 -0.26 0.00 0.00 58.87 58.88 2joq n SER 31 Cb 0.49 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.96 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 0.00 0.54 -0.40 6.66 2.02 -1.97 0.18 112.91 119.93 2joq h THR 32 Ca 0.00 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.09 2joq h THR 32 Cb 0.00 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.49 2joq h THR 32 CO 0.00 0.07 0.18 0.25 0.37 0.00 0.00 175.52 176.39 2joq h LEU 33 N 0.38 0.24 -0.26 2.58 5.85 -1.93 -1.87 115.31 120.30 2joq h LEU 33 Ca 0.58 0.03 -0.20 0.00 0.84 0.00 0.00 57.88 59.13 2joq h LEU 33 Cb 1.50 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2joq h LEU 33 CO -0.27 0.18 -0.88 0.11 -0.34 0.00 0.00 178.44 177.23 2joq h LYS 34 N 0.37 0.27 -0.69 1.25 1.57 -1.01 -3.25 116.57 115.09 2joq h LYS 34 Ca 0.18 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2joq h LYS 34 Cb 0.12 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 2joq h LYS 34 CO -0.15 1.00 0.43 0.93 -0.57 0.00 0.00 179.45 181.09 2joq h GLU 35 N 0.16 0.82 -0.07 3.15 5.08 -0.59 -1.28 114.58 121.84 2joq h GLU 35 Ca -0.05 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 2joq h GLU 35 Cb 1.51 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 2joq h GLU 35 CO 0.14 0.54 -0.37 1.37 -1.00 0.00 0.00 179.01 179.69 2joq h LEU 36 N 0.84 0.14 -0.59 1.33 8.10 -1.42 -2.48 115.31 121.24 2joq h LEU 36 Ca 0.28 -0.05 -0.08 0.00 0.11 0.00 0.00 57.88 58.14 2joq h LEU 36 Cb 0.02 -0.04 -0.02 0.00 -0.44 0.00 0.00 40.66 40.18 2joq h LEU 36 CO -0.11 0.51 0.05 -0.07 -4.11 0.00 0.00 178.44 174.71 2joq h LEU 37 N 0.12 0.97 -1.36 0.17 3.38 -1.32 -2.94 115.31 114.32 2joq h LEU 37 Ca 0.01 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 2joq h LEU 37 Cb 0.72 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 2joq h LEU 37 CO 0.05 1.01 -0.23 -0.33 0.09 0.00 0.00 178.44 179.03 2joq h GLU 38 N 0.90 0.13 0.00 1.13 5.08 -0.83 -2.45 114.58 118.54 2joq h GLU 38 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2joq h GLU 38 Cb 0.48 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2joq h GLU 38 CO 0.02 0.36 -0.03 1.79 -1.00 0.00 0.00 179.01 180.15 2joq h THR 39 N 0.12 0.17 -0.00 1.13 1.35 -1.30 0.17 112.91 114.56 2joq h THR 39 Ca 0.02 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2joq h THR 39 Cb 0.48 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 2joq h THR 39 CO 0.03 0.03 -0.17 -1.22 -0.25 0.00 0.00 175.52 173.95 2joq n TYR 40 N -3.25 0.00 -1.90 4.73 4.01 -0.92 -4.92 117.16 114.91 2joq n TYR 40 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 2joq n TYR 40 Cb 0.19 -0.41 -0.05 0.00 -0.31 0.00 0.00 39.34 38.77 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 -1.48 -1.39 -4.64 -0.72 1.13 0.60 -4.98 117.38 105.90 2joq n GLN 41 Ca 0.07 1.05 -0.30 0.00 -1.94 0.00 0.00 57.00 55.88 2joq n GLN 41 Cb 0.34 -5.45 -0.14 0.00 0.11 0.00 0.00 30.24 25.10 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 -4.17 1.63 0.87 -1.09 1.70 -1.26 -5.10 118.95 111.52 2joq s ARG 42 Ca 0.00 -1.22 -0.11 0.00 -0.47 0.00 0.00 55.73 53.93 2joq s ARG 42 Cb 0.00 -1.96 0.11 0.00 -0.57 0.00 0.00 34.95 32.54 2joq s ARG 42 CO 0.00 0.48 1.09 -1.25 -1.08 0.00 0.00 175.30 174.55 2joq s PRO 43 N -1.65 1.48 0.29 3.89 0.04 -1.26 -4.73 135.00 133.06 2joq s PRO 43 Ca 0.13 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 2joq s PRO 43 Cb -0.10 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2joq s PRO 43 CO 0.04 -2.14 0.61 -0.59 0.04 0.00 0.00 177.00 174.95 2joq s PHE 44 N -2.87 0.23 -0.20 0.56 -0.71 -1.26 -3.86 117.98 109.86 2joq s PHE 44 Ca 0.63 -0.66 0.00 0.00 -1.04 0.00 0.00 56.93 55.86 2joq s PHE 44 Cb -0.18 0.43 0.05 0.00 -1.21 0.00 0.00 43.02 42.11 2joq s PHE 44 CO 0.57 -1.19 -0.05 0.21 -1.34 0.00 0.00 175.22 173.42 2joq s LYS 45 N -3.58 1.54 -0.17 1.99 2.20 -0.12 -4.97 119.74 116.62 2joq s LYS 45 Ca 0.19 -0.77 -0.21 0.00 -0.36 0.00 0.00 55.97 54.81 2joq s LYS 45 Cb -0.03 -2.34 -0.03 0.00 -1.51 0.00 0.00 37.83 33.92 2joq s LYS 45 CO 0.10 -0.52 0.65 -1.17 -0.36 0.00 0.00 175.35 174.05 2joq s LEU 46 N 1.51 4.18 0.03 5.43 1.98 -1.26 -2.11 118.68 128.44 2joq s LEU 46 Ca -0.03 0.91 0.07 0.00 -2.89 0.00 0.00 54.13 52.19 2joq s LEU 46 Cb -0.17 -2.94 -0.02 0.00 0.66 0.00 0.00 46.19 43.72 2joq s LEU 46 CO -0.07 -0.25 -0.19 -1.61 -1.89 0.00 0.00 176.35 172.34 2joq s GLU 47 N 1.70 1.35 -0.35 1.98 2.02 0.33 -4.98 118.70 120.75 2joq s GLU 47 Ca 0.31 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.40 2joq s GLU 47 Cb -0.16 -1.41 0.06 0.00 0.10 0.00 0.00 34.13 32.71 2joq s GLU 47 CO 0.12 0.37 0.12 0.12 0.02 0.00 0.00 175.26 176.00 2joq s PHE 48 N -0.72 3.31 -0.05 1.61 5.36 -1.26 -0.53 117.98 125.70 2joq s PHE 48 Ca 0.07 -1.67 -0.09 0.00 -0.96 0.00 0.00 56.93 54.28 2joq s PHE 48 Cb -0.08 -2.47 -0.05 0.00 -0.34 0.00 0.00 43.02 40.08 2joq s PHE 48 CO 0.01 -0.80 0.40 0.87 -1.46 0.00 0.00 175.22 174.25 2joq h LYS 49 N 8.18 -0.32 -2.26 10.12 1.79 -1.14 -3.49 116.57 129.44 2joq h LYS 49 Ca -0.21 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.42 2joq h LYS 49 Cb 1.07 0.07 -0.13 0.00 -1.58 0.00 0.00 32.23 31.67 2joq h LYS 49 CO 0.62 -0.21 0.51 1.21 -1.08 0.00 0.00 179.45 180.49 2joq s ASN 50 N -4.93 -0.29 -0.13 0.86 3.84 -1.24 -5.05 114.94 108.01 2joq s ASN 50 Ca -0.05 -0.15 -0.10 0.00 0.21 0.00 0.00 52.86 52.78 2joq s ASN 50 Cb 0.00 0.41 -0.05 0.00 -0.55 0.00 0.00 41.25 41.07 2joq s ASN 50 CO 0.15 -0.70 0.19 0.28 -2.79 0.00 0.00 177.10 174.22 2joq s THR 51 N -3.15 5.40 -1.11 -5.21 -1.32 -1.26 -2.07 115.64 106.92 2joq s THR 51 Ca 0.08 0.33 -0.22 0.00 -1.21 0.00 0.00 61.69 60.66 2joq s THR 51 Cb -0.01 -3.49 -0.03 0.00 -1.51 0.00 0.00 72.50 67.46 2joq s THR 51 CO -0.05 0.54 1.85 -0.55 -2.21 0.00 0.00 174.62 174.20 2joq s SER 52 N -0.49 5.55 0.00 8.08 0.15 0.15 -4.73 113.70 122.40 2joq s SER 52 Ca 0.15 -1.51 0.00 0.00 0.70 0.00 0.00 55.95 55.28 2joq s SER 52 Cb -0.12 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2joq s SER 52 CO 0.04 -2.47 0.00 0.29 1.20 0.00 0.00 173.24 172.30 2joq n LYS 53 N 8.53 0.00 0.00 5.44 5.02 -1.26 -1.11 118.16 134.78 2joq n LYS 53 Ca 0.43 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.77 2joq n LYS 53 Cb 0.47 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.79 2joq n LYS 53 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2joq n ASN 54 N 0.38 0.00 -1.29 4.39 3.02 -1.26 -4.82 115.26 115.68 2joq n ASN 54 Ca 0.00 -1.40 -0.17 0.00 -0.03 0.00 0.00 54.58 52.98 2joq n ASN 54 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2joq n ALA 55 N -0.69 -0.26 0.08 5.41 0.00 -0.26 -4.86 120.51 119.93 2joq n ALA 55 Ca 0.08 0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.65 2joq n ALA 55 Cb 0.04 -1.77 -0.07 0.00 0.00 0.00 0.00 19.45 17.65 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 0.39 -6.62 0.00 1.63 -1.88 -3.45 116.57 106.64 2joq h LYS 56 Ca -0.35 -0.47 -0.65 0.00 -0.85 0.00 0.00 60.65 58.34 2joq h LYS 56 Cb 1.11 0.14 -0.23 0.00 -0.60 0.00 0.00 32.23 32.65 2joq h LYS 56 CO 0.51 1.14 -0.86 -0.06 -3.45 0.00 0.00 179.45 176.73 2joq s PHE 57 N -3.14 2.14 -0.12 1.91 0.08 -1.26 -4.63 117.98 112.97 2joq s PHE 57 Ca -0.06 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.62 2joq s PHE 57 Cb 0.08 -1.19 0.01 0.00 -0.57 0.00 0.00 43.02 41.36 2joq s PHE 57 CO 0.87 0.25 -0.18 0.71 -0.10 0.00 0.00 175.22 176.78 2joq s TYR 58 N -1.02 2.21 -0.39 0.36 2.02 0.61 -0.68 117.35 120.46 2joq s TYR 58 Ca 0.11 -1.05 -0.18 0.00 -0.37 0.00 0.00 57.07 55.58 2joq s TYR 58 Cb -0.10 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 2joq s TYR 58 CO 0.05 -0.51 0.51 -1.54 -1.57 0.00 0.00 175.55 172.48 2joq s SER 59 N 0.88 6.27 0.23 2.29 1.04 -0.88 -1.52 113.70 122.01 2joq s SER 59 Ca -0.08 -0.30 0.06 0.00 0.48 0.00 0.00 55.95 56.11 2joq s SER 59 Cb -0.15 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 2joq s SER 59 CO -0.01 -0.57 0.19 -0.36 0.98 0.00 0.00 173.24 173.47 2joq s PHE 60 N 2.39 3.14 -0.02 5.02 0.08 0.59 -0.52 117.98 128.65 2joq s PHE 60 Ca 0.17 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.14 2joq s PHE 60 Cb -0.16 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 2joq s PHE 60 CO 0.15 0.52 0.00 1.21 -0.10 0.00 0.00 175.22 177.00 2joq s ASN 61 N -3.66 0.30 -0.21 1.36 2.47 0.31 -0.46 114.94 115.05 2joq s ASN 61 Ca 0.32 -0.01 -0.01 0.00 0.42 0.00 0.00 52.86 53.58 2joq s ASN 61 Cb -0.08 -0.15 0.01 0.00 -1.45 0.00 0.00 41.25 39.58 2joq s ASN 61 CO 0.25 -0.08 -0.12 -0.69 -3.72 0.00 0.00 177.10 172.74 2joq s VAL 62 N 0.81 2.62 -0.40 -5.21 1.01 0.16 -0.51 120.40 118.86 2joq s VAL 62 Ca -0.08 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 2joq s VAL 62 Cb -0.11 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.13 2joq s VAL 62 CO -0.02 0.41 0.24 -0.94 0.00 0.00 0.00 175.10 174.80 2joq s SER 63 N 1.34 5.69 0.18 3.32 1.04 -0.90 0.07 113.70 124.45 2joq s SER 63 Ca 0.04 -1.31 0.06 0.00 0.48 0.00 0.00 55.95 55.22 2joq s SER 63 Cb -0.14 -2.01 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 2joq s SER 63 CO -0.08 -0.49 -0.12 0.00 0.98 0.00 0.00 173.24 173.53 2joq s MET 64 N 1.48 1.20 0.23 4.02 0.23 -0.86 -0.94 119.30 124.66 2joq s MET 64 Ca 0.02 -1.53 -0.30 0.00 -1.03 0.00 0.00 55.69 52.86 2joq s MET 64 Cb -0.22 -0.87 -0.09 0.00 -1.53 0.00 0.00 34.83 32.13 2joq s MET 64 CO 0.04 0.12 1.22 -1.21 -2.03 0.00 0.00 175.02 173.16 2joq s GLU 65 N -3.70 4.48 -0.11 3.16 2.02 -1.25 -0.89 118.70 122.41 2joq s GLU 65 Ca 0.20 1.96 0.02 0.00 0.02 0.00 0.00 54.97 57.17 2joq s GLU 65 Cb 0.01 -3.19 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2joq s GLU 65 CO 0.04 -0.08 -0.17 0.14 0.02 0.00 0.00 175.26 175.21 2joq s VAL 66 N -0.43 1.63 -0.22 2.63 -7.23 0.09 -4.92 120.40 111.95 2joq s VAL 66 Ca 0.51 -0.74 0.18 0.00 -1.81 0.00 0.00 61.98 60.13 2joq s VAL 66 Cb -0.35 -1.46 0.06 0.00 0.56 0.00 0.00 36.38 35.19 2joq s VAL 66 CO 0.41 0.47 1.26 -1.28 -0.31 0.00 0.00 175.10 175.64 2joq h SER 67 N 7.22 0.00 -5.10 4.85 0.87 -1.95 -2.25 113.55 117.19 2joq h SER 67 Ca -0.29 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 2joq h SER 67 Cb 1.19 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 2joq h SER 67 CO 0.49 0.34 0.18 0.54 -0.53 0.00 0.00 176.83 177.85 2joq s ASN 68 N -6.07 0.17 0.23 6.23 2.20 -1.26 -4.31 114.94 112.14 2joq s ASN 68 Ca 0.02 -1.19 0.24 0.00 -0.94 0.00 0.00 52.86 50.99 2joq s ASN 68 Cb 0.08 0.81 0.28 0.00 -2.00 0.00 0.00 41.25 40.42 2joq s ASN 68 CO 0.75 -1.60 1.35 -0.08 -2.94 0.00 0.00 177.10 174.59 2joq h GLU 69 N 2.02 0.00 -0.73 3.55 4.81 -1.99 -3.02 114.58 119.22 2joq h GLU 69 Ca -0.31 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 2joq h GLU 69 Cb 1.25 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2joq h GLU 69 CO 0.39 0.00 0.28 0.77 -0.73 0.00 0.00 179.01 179.73 2joq h SER 70 N 0.00 1.03 -0.30 1.04 0.02 -2.00 -1.87 113.55 111.46 2joq h SER 70 Ca 0.00 -0.18 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 2joq h SER 70 Cb 0.89 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.15 2joq h SER 70 CO 0.00 0.93 -0.17 -0.33 -1.14 0.00 0.00 176.83 176.11 2joq h GLU 71 N 1.06 0.76 -0.74 3.45 5.08 -1.97 0.26 114.58 122.48 2joq h GLU 71 Ca 0.24 -0.28 0.14 0.00 -1.00 0.00 0.00 59.36 58.46 2joq h GLU 71 Cb 0.23 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2joq h GLU 71 CO -0.02 0.88 0.49 -0.09 -1.00 0.00 0.00 179.01 179.28 2joq h ARG 72 N 0.67 0.41 0.14 2.33 2.43 -1.24 0.29 114.38 119.42 2joq h ARG 72 Ca 0.10 -0.02 -0.30 0.00 -0.81 0.00 0.00 59.98 58.95 2joq h ARG 72 Cb 0.67 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2joq h ARG 72 CO 0.05 0.27 -1.48 -0.91 -1.51 0.00 0.00 179.97 176.39 2joq h ASN 73 N 0.42 0.48 -0.07 -3.80 2.35 -1.03 -3.22 115.58 110.71 2joq h ASN 73 Ca 0.36 -0.89 0.02 0.00 -0.55 0.00 0.00 56.30 55.23 2joq h ASN 73 Cb 0.81 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.01 2joq h ASN 73 CO -0.11 1.66 -0.03 -0.08 -1.65 0.00 0.00 177.43 177.22 2joq h GLU 74 N -0.16 -0.01 -1.00 0.81 4.81 -0.04 -0.91 114.58 118.07 2joq h GLU 74 Ca -0.30 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.96 2joq h GLU 74 Cb 1.87 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 31.20 2joq h GLU 74 CO 0.11 -0.01 0.66 0.82 -0.73 0.00 0.00 179.01 179.86 2joq h ILE 75 N -0.01 1.19 -0.83 2.32 2.04 -0.63 0.16 117.51 121.74 2joq h ILE 75 Ca 0.04 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.52 2joq h ILE 75 Cb 0.07 -0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 35.88 2joq h ILE 75 CO -0.08 0.24 0.51 0.15 0.00 0.00 0.00 178.15 178.96 2joq h PHE 76 N 1.29 0.93 -0.32 1.37 3.57 -1.41 -0.21 116.94 122.16 2joq h PHE 76 Ca 0.39 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.80 2joq h PHE 76 Cb -0.03 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.40 2joq h PHE 76 CO -0.00 0.45 -0.32 1.96 -2.23 0.00 0.00 178.31 178.18 2joq h GLN 77 N 0.91 0.69 -0.83 1.11 4.20 0.28 -2.73 115.11 118.73 2joq h GLN 77 Ca 0.37 -0.31 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2joq h GLN 77 Cb 0.21 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 2joq h GLN 77 CO -0.19 0.92 0.54 0.87 -0.67 0.00 0.00 178.83 180.29 2joq h LYS 78 N 0.59 1.02 0.00 1.46 1.79 0.30 -1.43 116.57 120.30 2joq h LYS 78 Ca 0.07 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 2joq h LYS 78 Cb 0.83 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2joq h LYS 78 CO 0.07 0.68 -0.04 0.82 -1.08 0.00 0.00 179.45 179.90 2joq h ILE 79 N 1.05 0.93 0.00 1.86 2.04 -0.78 -0.47 117.51 122.14 2joq h ILE 79 Ca 0.32 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 66.04 2joq h ILE 79 Cb -0.03 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2joq h ILE 79 CO -0.10 0.04 0.00 0.28 0.00 0.00 0.00 178.15 178.37 2joq h SER 80 N 0.00 0.00 -0.01 1.72 0.02 -1.07 -3.25 113.55 110.95 2joq h SER 80 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2joq h SER 80 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2joq h SER 80 CO 0.01 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2joq n GLN 81 N -3.00 1.27 0.22 3.45 6.02 -0.18 -3.49 117.38 121.66 2joq n GLN 81 Ca 0.03 -0.40 0.10 0.00 -0.01 0.00 0.00 57.00 56.72 2joq n GLN 81 Cb 0.42 -1.47 0.33 0.00 1.02 0.00 0.00 30.24 30.55 2joq n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2joq h LEU 82 N 0.95 0.00 0.00 1.08 3.38 -1.66 -3.46 115.31 115.59 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 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2joq h LEU 82 CO 0.00 0.17 0.00 -0.67 0.09 0.00 0.00 178.44 178.03 2joq n ASP 83 N -3.21 0.00 -0.50 -0.43 2.03 -1.23 -4.57 116.55 108.64 2joq n ASP 83 Ca 0.02 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.43 2joq n ASP 83 Cb 0.50 0.00 0.39 0.00 -0.72 0.00 0.00 41.12 41.29 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 1.66 -3.42 -0.67 2.85 -1.26 -4.87 118.16 112.45 2joq n LYS 84 Ca 0.00 -1.00 -0.38 0.00 -1.05 0.00 0.00 58.31 55.88 2joq n LYS 84 Cb 0.00 -1.39 -0.06 0.00 -0.65 0.00 0.00 35.03 32.93 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 -1.81 5.01 -0.19 0.58 0.11 -1.26 -2.58 120.40 120.26 2joq s VAL 85 Ca 0.32 0.93 0.08 0.00 -2.93 0.00 0.00 61.98 60.39 2joq s VAL 85 Cb 0.17 -3.77 -0.11 0.00 -1.53 0.00 0.00 36.38 31.14 2joq s VAL 85 CO 0.26 0.52 0.26 1.33 -3.33 0.00 0.00 175.10 174.14 2joq n VAL 86 N 2.23 0.00 -3.67 2.04 0.24 -0.12 -4.99 118.33 114.06 2joq n VAL 86 Ca -0.12 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 61.85 2joq n VAL 86 Cb 0.52 0.63 -0.09 0.00 -1.47 0.00 0.00 33.84 33.43 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 -2.20 0.58 -0.15 7.34 2.00 -1.12 -5.04 119.66 121.07 2joq s GLN 87 Ca -0.00 1.00 0.01 0.00 -2.00 0.00 0.00 55.36 54.37 2joq s GLN 87 Cb 0.06 0.10 0.02 0.00 0.80 0.00 0.00 33.01 33.98 2joq s GLN 87 CO 0.34 -0.15 -0.19 0.95 -0.50 0.00 0.00 175.29 175.75 2joq s THR 88 N 1.38 1.86 -0.26 -0.34 -4.23 -1.26 -1.80 115.64 110.99 2joq s THR 88 Ca -0.09 -0.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.62 2joq s THR 88 Cb -0.06 -1.68 0.06 0.00 1.34 0.00 0.00 72.50 72.16 2joq s THR 88 CO -0.15 0.51 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.58 2joq s LEU 89 N 1.12 3.43 0.00 4.79 1.02 -0.35 -4.94 118.68 123.75 2joq s LEU 89 Ca -0.01 -1.41 0.03 0.00 0.02 0.00 0.00 54.13 52.77 2joq s LEU 89 Cb -0.14 -1.53 0.02 0.00 0.02 0.00 0.00 46.19 44.55 2joq s LEU 89 CO -0.07 -0.20 0.53 0.61 0.02 0.00 0.00 176.35 177.25 2joq n GLY 90 N 4.44 -0.86 0.00 -3.19 0.00 -1.26 -0.92 105.19 103.40 2joq n GLY 90 Ca -0.13 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.90 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76