#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 1.07 3.87 1.08 0.00 -1.26 -5.16 105.19 104.79 2joq n GLY 2 Ca 0.00 -0.17 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.70 3.43 0.43 1.61 3.76 -1.26 -5.09 115.29 116.47 2joq s HIS 3 Ca 0.00 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.91 2joq s HIS 3 Cb 0.00 -2.38 -0.01 0.00 1.11 0.00 0.00 32.58 31.30 2joq s HIS 3 CO 0.00 0.08 0.65 -1.64 -0.85 0.00 0.00 174.74 172.98 2joq s MET 4 N -3.30 3.15 0.52 1.40 -1.94 -1.26 -4.96 119.30 112.90 2joq s MET 4 Ca 0.50 -0.45 0.40 0.00 -1.71 0.00 0.00 55.69 54.42 2joq s MET 4 Cb -0.11 -2.57 1.57 0.00 2.01 0.00 0.00 34.83 35.73 2joq s MET 4 CO 0.24 -0.20 1.68 -1.35 -0.01 0.00 0.00 175.02 175.38 2joq h PRO 5 N 0.46 0.04 -3.28 2.03 0.11 -2.07 -3.28 132.00 126.02 2joq h PRO 5 Ca -0.47 -0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.11 2joq h PRO 5 Cb 1.25 -0.01 -0.40 0.00 0.11 0.00 0.00 31.00 31.95 2joq h PRO 5 CO 0.58 0.03 -0.76 0.45 -0.21 0.00 0.00 178.00 178.08 2joq s SER 6 N -4.53 3.25 -0.21 -2.05 0.15 -1.26 -4.95 113.70 104.09 2joq s SER 6 Ca -0.06 -1.10 0.15 0.00 0.70 0.00 0.00 55.95 55.64 2joq s SER 6 Cb 0.26 -0.54 0.75 0.00 -1.71 0.00 0.00 66.02 64.78 2joq s SER 6 CO 0.84 -0.37 1.67 0.47 1.20 0.00 0.00 173.24 177.05 2joq n ASP 7 N 5.09 5.25 -4.77 5.45 9.92 -1.24 -5.02 116.55 131.24 2joq n ASP 7 Ca -0.06 -2.90 -0.40 0.00 -0.53 0.00 0.00 54.79 50.90 2joq n ASP 7 Cb 0.45 -0.64 0.01 0.00 -0.64 0.00 0.00 41.12 40.29 2joq n ASP 7 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2joq s SER 8 N -1.04 6.08 0.28 -2.24 0.01 -1.26 -5.00 113.70 110.53 2joq s SER 8 Ca 0.52 2.83 -0.14 0.00 1.31 0.00 0.00 55.95 60.47 2joq s SER 8 Cb 0.39 -2.65 -0.08 0.00 0.21 0.00 0.00 66.02 63.89 2joq s SER 8 CO 0.15 -1.03 0.68 -0.54 0.41 0.00 0.00 173.24 172.91 2joq s LYS 9 N -2.34 3.97 0.42 12.44 -0.14 -1.26 -5.09 119.74 127.74 2joq s LYS 9 Ca 0.59 0.58 -0.01 0.00 -1.36 0.00 0.00 55.97 55.77 2joq s LYS 9 Cb -0.42 -2.54 -0.02 0.00 -1.68 0.00 0.00 37.83 33.17 2joq s LYS 9 CO 0.54 0.23 0.65 0.15 -0.76 0.00 0.00 175.35 176.16 2joq s LYS 10 N -2.82 3.29 -0.45 1.68 -0.14 -1.26 -5.03 119.74 115.01 2joq s LYS 10 Ca 0.51 -0.32 -0.28 0.00 -1.36 0.00 0.00 55.97 54.52 2joq s LYS 10 Cb -0.11 -2.56 0.00 0.00 -1.68 0.00 0.00 37.83 33.48 2joq s LYS 10 CO 0.19 -0.12 1.56 -2.14 -0.76 0.00 0.00 175.35 174.08 2joq s PRO 11 N -4.51 3.34 -0.46 -1.68 0.02 -1.26 -4.97 135.00 125.48 2joq s PRO 11 Ca 0.45 0.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.09 2joq s PRO 11 Cb -0.10 -4.14 0.03 0.00 0.02 0.00 0.00 34.50 30.31 2joq s PRO 11 CO 0.38 -1.87 1.15 0.99 -0.33 0.00 0.00 177.00 177.33 2joq s THR 12 N 6.38 4.22 -0.45 0.99 2.01 -1.26 -4.98 115.64 122.55 2joq s THR 12 Ca 0.64 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 63.63 2joq s THR 12 Cb -0.15 -4.56 0.03 0.00 0.01 0.00 0.00 72.50 67.83 2joq s THR 12 CO 0.30 -0.94 1.05 -0.63 -0.69 0.00 0.00 174.62 173.71 2joq s ILE 13 N 4.43 4.34 -0.55 1.82 -1.09 -1.26 -4.99 121.20 123.90 2joq s ILE 13 Ca 0.49 1.13 -0.24 0.00 -2.23 0.00 0.00 60.65 59.80 2joq s ILE 13 Cb -0.08 -4.52 0.04 0.00 -1.58 0.00 0.00 42.46 36.33 2joq s ILE 13 CO 0.30 -0.87 0.91 -0.63 -1.23 0.00 0.00 174.94 173.42 2joq s ILE 14 N 4.10 4.43 0.37 2.92 1.01 -1.26 -5.04 121.20 127.73 2joq s ILE 14 Ca 0.44 0.18 -0.18 0.00 0.00 0.00 0.00 60.65 61.08 2joq s ILE 14 Cb -0.09 -4.52 -0.10 0.00 0.01 0.00 0.00 42.46 37.76 2joq s ILE 14 CO 0.28 -1.10 0.85 -0.31 0.00 0.00 0.00 174.94 174.65 2joq s TYR 15 N 3.84 3.36 0.60 3.97 1.51 -1.26 -4.27 117.35 125.10 2joq s TYR 15 Ca 0.29 1.43 -0.13 0.00 -1.01 0.00 0.00 57.07 57.65 2joq s TYR 15 Cb -0.13 -2.70 -0.04 0.00 -0.11 0.00 0.00 41.96 38.97 2joq s TYR 15 CO 0.18 0.00 1.03 -2.14 -1.11 0.00 0.00 175.55 173.51 2joq s PRO 16 N -3.02 3.52 0.01 -1.71 0.02 -1.26 -5.00 135.00 127.56 2joq s PRO 16 Ca 0.58 0.91 -0.28 0.00 0.02 0.00 0.00 61.00 62.22 2joq s PRO 16 Cb -0.10 -2.07 0.10 0.00 0.02 0.00 0.00 34.50 32.45 2joq s PRO 16 CO 0.16 -0.63 0.84 0.00 -0.33 0.00 0.00 177.00 177.03 2joq s LEU 18 N -2.35 4.39 -0.02 0.00 1.43 -1.26 -0.82 118.68 120.05 2joq s LEU 18 Ca 0.03 2.20 0.04 0.00 -1.03 0.00 0.00 54.13 55.37 2joq s LEU 18 Cb -0.01 -3.84 -0.00 0.00 0.03 0.00 0.00 46.19 42.36 2joq s LEU 18 CO -0.08 -0.30 -0.12 0.86 0.23 0.00 0.00 176.35 176.93 2joq s TRP 19 N -1.35 1.18 -0.19 0.29 -0.11 0.53 -4.92 118.94 114.37 2joq s TRP 19 Ca 0.50 -0.27 -0.11 0.00 1.22 0.00 0.00 56.10 57.44 2joq s TRP 19 Cb -0.29 -0.79 -0.05 0.00 -1.50 0.00 0.00 33.47 30.84 2joq s TRP 19 CO 0.36 -0.07 0.17 -0.51 -4.62 0.00 0.00 176.95 172.29 2joq s ASP 20 N -0.09 6.27 -0.20 5.86 1.11 -1.26 -2.07 116.67 126.29 2joq s ASP 20 Ca 0.01 0.30 -0.01 0.00 0.18 0.00 0.00 52.55 53.03 2joq s ASP 20 Cb -0.07 -2.11 0.01 0.00 1.07 0.00 0.00 42.92 41.82 2joq s ASP 20 CO 0.00 0.16 -0.14 -0.31 1.18 0.00 0.00 175.17 176.05 2joq s TYR 21 N 0.41 2.86 -0.47 4.23 1.51 0.88 -4.50 117.35 122.26 2joq s TYR 21 Ca 0.10 -1.45 -0.27 0.00 -1.01 0.00 0.00 57.07 54.45 2joq s TYR 21 Cb -0.12 -1.98 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2joq s TYR 21 CO -0.00 -0.73 1.00 0.50 -1.11 0.00 0.00 175.55 175.21 2joq s ARG 22 N 1.34 3.58 -0.28 -0.62 6.06 -0.09 -1.10 118.95 127.85 2joq s ARG 22 Ca 0.05 0.26 -0.01 0.00 -2.50 0.00 0.00 55.73 53.53 2joq s ARG 22 Cb -0.14 -3.93 0.05 0.00 0.06 0.00 0.00 34.95 30.99 2joq s ARG 22 CO -0.09 -1.30 -0.04 0.08 -2.50 0.00 0.00 175.30 171.44 2joq s VAL 23 N 4.01 2.76 -0.33 7.11 1.01 -0.26 -1.14 120.40 133.56 2joq s VAL 23 Ca 0.40 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 2joq s VAL 23 Cb -0.09 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.77 2joq s VAL 23 CO 0.28 0.00 0.13 -0.63 0.00 0.00 0.00 175.10 174.88 2joq s ILE 24 N 1.24 4.15 0.31 2.22 1.01 -0.25 -0.16 121.20 129.73 2joq s ILE 24 Ca -0.04 -0.81 0.10 0.00 0.00 0.00 0.00 60.65 59.90 2joq s ILE 24 Cb -0.19 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.00 2joq s ILE 24 CO -0.03 -0.06 -0.06 -0.04 0.00 0.00 0.00 174.94 174.75 2joq s MET 25 N 1.50 1.99 -0.06 2.79 -1.94 -0.61 -0.86 119.30 122.10 2joq s MET 25 Ca 0.02 -1.72 0.12 0.00 -1.71 0.00 0.00 55.69 52.40 2joq s MET 25 Cb -0.18 -1.90 0.45 0.00 2.01 0.00 0.00 34.83 35.20 2joq s MET 25 CO 0.04 0.23 1.31 0.25 -0.01 0.00 0.00 175.02 176.84 2joq n THR 26 N -0.84 1.09 -3.90 2.05 -2.24 -0.66 -0.41 114.28 109.37 2joq n THR 26 Ca -0.05 -0.72 -0.10 0.00 -2.27 0.00 0.00 64.05 60.91 2joq n THR 26 Cb 0.61 0.02 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 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 -1.69 0.11 -1.02 4.28 -1.32 -1.26 -4.81 115.64 109.94 2joq s THR 27 Ca 0.32 -0.94 0.28 0.00 -1.21 0.00 0.00 61.69 60.14 2joq s THR 27 Cb 0.20 -0.74 0.20 0.00 -1.51 0.00 0.00 72.50 70.65 2joq s THR 27 CO 0.16 -0.52 1.82 0.29 -2.21 0.00 0.00 174.62 174.16 2joq n LYS 28 N 0.98 0.02 -2.33 7.08 4.76 -1.26 -4.62 118.16 122.79 2joq n LYS 28 Ca -0.20 -0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 54.86 2joq n LYS 28 Cb 0.58 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 2joq n LYS 28 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2joq n ASP 29 N -1.49 4.19 -4.46 4.39 2.03 -1.26 -4.89 116.55 115.06 2joq n ASP 29 Ca 0.07 -2.83 -0.43 0.00 0.52 0.00 0.00 54.79 52.12 2joq n ASP 29 Cb 0.34 -1.73 -0.04 0.00 -0.72 0.00 0.00 41.12 38.97 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 6.57 4.30 0.07 5.18 -1.32 -1.26 -4.70 115.64 124.48 2joq s THR 30 Ca 0.59 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 2joq s THR 30 Cb 0.03 -4.71 0.00 0.00 -1.51 0.00 0.00 72.50 66.31 2joq s THR 30 CO 0.09 -1.50 0.00 -1.54 -2.21 0.00 0.00 174.62 169.47 2joq n SER 31 N 7.77 0.14 -0.33 8.08 3.41 -1.26 -4.67 113.62 126.77 2joq n SER 31 Ca -0.01 0.11 0.23 0.00 -0.26 0.00 0.00 58.87 58.94 2joq n SER 31 Cb 0.46 0.02 0.51 0.00 -0.26 0.00 0.00 64.21 64.94 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 0.52 -0.10 6.66 2.02 -1.97 0.14 112.91 120.18 2joq h THR 32 Ca 0.00 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 2joq h THR 32 Cb 0.00 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2joq h THR 32 CO 0.00 0.07 0.06 0.25 0.37 0.00 0.00 175.52 176.27 2joq h LEU 33 N 0.39 0.13 -0.47 2.58 5.85 -1.91 -2.90 115.31 118.98 2joq h LEU 33 Ca 0.60 -0.06 -0.17 0.00 0.84 0.00 0.00 57.88 59.10 2joq h LEU 33 Cb 1.52 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 2joq h LEU 33 CO -0.31 0.15 -0.76 0.11 -0.34 0.00 0.00 178.44 177.29 2joq h LYS 34 N 0.10 0.08 -0.13 1.25 1.57 -1.16 -3.23 116.57 115.05 2joq h LYS 34 Ca 0.04 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2joq h LYS 34 Cb 0.04 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 2joq h LYS 34 CO -0.01 0.80 -0.11 0.93 -0.57 0.00 0.00 179.45 180.50 2joq h GLU 35 N 0.05 -0.12 -0.03 3.15 4.39 -0.71 0.19 114.58 121.50 2joq h GLU 35 Ca -0.02 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2joq h GLU 35 Cb 1.34 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.01 2joq h GLU 35 CO 0.11 -0.08 -0.09 1.37 -1.16 0.00 0.00 179.01 179.15 2joq h LEU 36 N -0.12 0.04 -0.11 1.33 8.10 -1.54 -1.83 115.31 121.17 2joq h LEU 36 Ca 0.09 -0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.96 2joq h LEU 36 Cb 0.25 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.46 2joq h LEU 36 CO -0.20 0.14 -0.38 -0.07 -4.11 0.00 0.00 178.44 173.81 2joq h LEU 37 N 0.04 0.52 -1.72 0.17 3.38 -1.31 -3.27 115.31 113.12 2joq h LEU 37 Ca 0.01 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.34 2joq h LEU 37 Cb 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 2joq h LEU 37 CO 0.01 1.05 -0.11 -0.33 0.09 0.00 0.00 178.44 179.15 2joq h GLU 38 N 0.02 0.00 0.00 1.13 5.08 0.13 -2.01 114.58 118.92 2joq h GLU 38 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2joq h GLU 38 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2joq h GLU 38 CO 0.08 0.11 0.00 1.79 -1.00 0.00 0.00 179.01 179.99 2joq h THR 39 N 0.00 0.00 0.00 1.13 1.35 -1.42 0.11 112.91 114.08 2joq h THR 39 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2joq h THR 39 Cb 0.45 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 2joq h THR 39 CO 0.01 0.00 -0.26 -1.22 -0.25 0.00 0.00 175.52 173.80 2joq n TYR 40 N -2.60 0.02 -1.13 4.73 4.02 -0.76 -4.92 117.16 116.52 2joq n TYR 40 Ca -0.00 0.01 -0.05 0.00 -0.01 0.00 0.00 57.90 57.85 2joq n TYR 40 Cb 0.17 -0.38 -0.02 0.00 -0.02 0.00 0.00 39.34 39.08 2joq n TYR 40 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 2joq n GLN 41 N -1.52 -1.70 -3.94 -0.72 1.13 0.38 -4.96 117.38 106.05 2joq n GLN 41 Ca 0.06 0.63 -0.26 0.00 -1.94 0.00 0.00 57.00 55.49 2joq n GLN 41 Cb 0.34 -4.98 -0.03 0.00 0.11 0.00 0.00 30.24 25.69 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 -2.25 3.44 0.42 -1.09 1.70 -1.26 -5.09 118.95 114.82 2joq s ARG 42 Ca 0.00 -0.60 -0.24 0.00 -0.47 0.00 0.00 55.73 54.42 2joq s ARG 42 Cb 0.00 -2.96 -0.08 0.00 -0.57 0.00 0.00 34.95 31.34 2joq s ARG 42 CO 0.00 0.51 1.09 -1.25 -1.08 0.00 0.00 175.30 174.57 2joq s PRO 43 N -3.29 4.03 0.02 3.89 0.04 -1.26 -4.79 135.00 133.64 2joq s PRO 43 Ca 0.35 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.96 2joq s PRO 43 Cb -0.11 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2joq s PRO 43 CO 0.29 -0.28 0.06 -0.59 0.04 0.00 0.00 177.00 176.51 2joq s PHE 44 N -1.61 0.18 -0.38 0.56 -0.71 -1.26 -4.28 117.98 110.47 2joq s PHE 44 Ca 0.60 -0.42 -0.12 0.00 -1.04 0.00 0.00 56.93 55.95 2joq s PHE 44 Cb -0.24 -0.14 0.03 0.00 -1.21 0.00 0.00 43.02 41.45 2joq s PHE 44 CO 0.30 -0.28 0.22 0.21 -1.34 0.00 0.00 175.22 174.34 2joq s LYS 45 N -1.86 2.84 -0.23 1.99 2.20 0.13 -4.97 119.74 119.83 2joq s LYS 45 Ca -0.12 -1.08 -0.17 0.00 -0.36 0.00 0.00 55.97 54.25 2joq s LYS 45 Cb -0.06 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.45 2joq s LYS 45 CO -0.01 -0.71 0.47 -1.17 -0.36 0.00 0.00 175.35 173.56 2joq s LEU 46 N 1.57 4.11 -0.02 5.43 1.98 -1.26 -1.57 118.68 128.92 2joq s LEU 46 Ca 0.02 0.54 0.06 0.00 -2.89 0.00 0.00 54.13 51.86 2joq s LEU 46 Cb -0.19 -2.60 -0.01 0.00 0.66 0.00 0.00 46.19 44.04 2joq s LEU 46 CO 0.07 -0.18 -0.20 -1.61 -1.89 0.00 0.00 176.35 172.54 2joq s GLU 47 N 1.80 1.64 -0.44 1.98 2.02 -0.41 -5.00 118.70 120.30 2joq s GLU 47 Ca 0.21 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.32 2joq s GLU 47 Cb -0.15 -1.58 0.04 0.00 0.10 0.00 0.00 34.13 32.54 2joq s GLU 47 CO 0.09 0.42 0.39 0.12 0.02 0.00 0.00 175.26 176.30 2joq s PHE 48 N -0.44 3.21 -0.04 1.61 5.36 -1.26 -0.83 117.98 125.59 2joq s PHE 48 Ca 0.07 -0.63 -0.01 0.00 -0.96 0.00 0.00 56.93 55.39 2joq s PHE 48 Cb -0.08 -2.93 -0.01 0.00 -0.34 0.00 0.00 43.02 39.67 2joq s PHE 48 CO -0.01 -0.72 0.09 0.87 -1.46 0.00 0.00 175.22 173.99 2joq h LYS 49 N 8.73 -0.04 -2.62 10.12 1.79 -1.31 -3.49 116.57 129.75 2joq h LYS 49 Ca -0.27 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.26 2joq h LYS 49 Cb 1.11 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.64 2joq h LYS 49 CO 0.81 -0.03 0.36 1.21 -1.08 0.00 0.00 179.45 180.73 2joq s ASN 50 N -4.09 -0.43 0.08 0.86 2.47 -1.19 -5.04 114.94 107.62 2joq s ASN 50 Ca -0.01 -0.07 0.10 0.00 0.42 0.00 0.00 52.86 53.30 2joq s ASN 50 Cb 0.00 0.50 -0.03 0.00 -1.45 0.00 0.00 41.25 40.27 2joq s ASN 50 CO 0.02 -0.83 -0.26 0.28 -3.72 0.00 0.00 177.10 172.59 2joq s THR 51 N -3.43 2.23 0.94 -5.21 -1.32 -1.26 -0.66 115.64 106.92 2joq s THR 51 Ca 0.04 -1.54 -0.11 0.00 -1.21 0.00 0.00 61.69 58.87 2joq s THR 51 Cb -0.01 -1.92 0.10 0.00 -1.51 0.00 0.00 72.50 69.16 2joq s THR 51 CO -0.09 0.24 0.79 -1.20 -2.21 0.00 0.00 174.62 172.16 2joq n SER 52 N 1.39 -0.84 0.24 8.08 7.64 -0.45 -4.82 113.62 124.86 2joq n SER 52 Ca -0.17 0.36 0.09 0.00 1.01 0.00 0.00 58.87 60.16 2joq n SER 52 Cb 0.52 -1.34 0.61 0.00 -1.01 0.00 0.00 64.21 62.99 2joq n SER 52 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2joq h LYS 53 N -1.78 0.00 0.00 1.43 6.56 -2.00 0.24 116.57 121.02 2joq h LYS 53 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2joq h LYS 53 Cb 1.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.94 2joq h LYS 53 CO 0.38 0.18 0.00 0.09 -2.06 0.00 0.00 179.45 178.04 2joq n ASN 54 N -3.81 0.34 -1.62 0.86 4.13 -1.26 -4.89 115.26 109.00 2joq n ASN 54 Ca -0.02 0.56 -0.20 0.00 1.68 0.00 0.00 54.58 56.60 2joq n ASN 54 Cb 0.28 -0.64 -0.08 0.00 -1.54 0.00 0.00 39.78 37.80 2joq n ASN 54 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2joq n ALA 55 N -1.63 -0.33 -0.07 5.41 0.00 0.83 -4.83 120.51 119.89 2joq n ALA 55 Ca 0.04 0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.72 2joq n ALA 55 Cb 0.27 -2.03 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 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 -2.46 0.68 -4.77 0.00 4.81 -1.26 -4.92 118.16 110.24 2joq n LYS 56 Ca -0.21 0.03 -0.33 0.00 -0.87 0.00 0.00 58.31 56.94 2joq n LYS 56 Cb 0.67 -1.58 -0.13 0.00 0.02 0.00 0.00 35.03 34.01 2joq n LYS 56 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2joq s PHE 57 N -2.61 2.81 -0.15 5.64 0.08 -1.26 -4.43 117.98 118.06 2joq s PHE 57 Ca -0.09 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.65 2joq s PHE 57 Cb 0.07 -1.75 0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2joq s PHE 57 CO 0.83 0.04 -0.18 0.71 -0.10 0.00 0.00 175.22 176.53 2joq s TYR 58 N -0.24 2.43 -0.38 0.36 2.02 0.46 -1.34 117.35 120.66 2joq s TYR 58 Ca 0.02 -1.32 -0.19 0.00 -0.37 0.00 0.00 57.07 55.21 2joq s TYR 58 Cb -0.13 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.73 2joq s TYR 58 CO 0.03 -0.66 0.56 -1.12 -1.57 0.00 0.00 175.55 172.79 2joq s SER 59 N 1.17 6.33 0.16 2.29 0.01 0.17 -1.57 113.70 122.25 2joq s SER 59 Ca -0.00 -0.12 0.05 0.00 1.31 0.00 0.00 55.95 57.18 2joq s SER 59 Cb -0.14 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2joq s SER 59 CO -0.07 -0.58 0.14 -0.36 0.41 0.00 0.00 173.24 172.78 2joq s PHE 60 N 2.53 3.17 -0.11 2.43 0.08 0.77 -0.80 117.98 126.04 2joq s PHE 60 Ca 0.20 -0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.25 2joq s PHE 60 Cb -0.15 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 40.80 2joq s PHE 60 CO 0.15 0.52 -0.11 1.21 -0.10 0.00 0.00 175.22 176.89 2joq s ASN 61 N -3.07 2.26 -0.25 1.36 2.47 -0.01 -1.11 114.94 116.61 2joq s ASN 61 Ca 0.31 -0.36 -0.07 0.00 0.42 0.00 0.00 52.86 53.16 2joq s ASN 61 Cb -0.10 -0.95 -0.02 0.00 -1.45 0.00 0.00 41.25 38.73 2joq s ASN 61 CO 0.23 -0.06 0.05 -0.69 -3.72 0.00 0.00 177.10 172.91 2joq s VAL 62 N 1.39 4.11 -0.34 -5.21 1.01 -0.26 -1.29 120.40 119.82 2joq s VAL 62 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.68 2joq s VAL 62 Cb -0.13 -2.93 0.06 0.00 0.00 0.00 0.00 36.38 33.38 2joq s VAL 62 CO -0.06 0.34 0.09 -0.44 0.00 0.00 0.00 175.10 175.04 2joq s SER 63 N 1.58 5.17 0.19 3.32 0.01 -0.61 -0.09 113.70 123.28 2joq s SER 63 Ca 0.06 -1.36 0.04 0.00 1.31 0.00 0.00 55.95 56.00 2joq s SER 63 Cb -0.15 -1.81 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 2joq s SER 63 CO 0.02 -0.35 -0.05 0.00 0.41 0.00 0.00 173.24 173.27 2joq s MET 64 N 1.31 1.20 0.46 12.44 0.23 -0.88 -0.70 119.30 133.36 2joq s MET 64 Ca -0.01 -1.57 -0.21 0.00 -1.03 0.00 0.00 55.69 52.88 2joq s MET 64 Cb -0.20 -0.59 -0.09 0.00 -1.53 0.00 0.00 34.83 32.41 2joq s MET 64 CO 0.00 -0.02 1.00 -1.21 -2.03 0.00 0.00 175.02 172.76 2joq s GLU 65 N -3.82 3.97 -0.05 3.16 2.02 -1.26 -0.35 118.70 122.37 2joq s GLU 65 Ca 0.23 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.49 2joq s GLU 65 Cb 0.04 -2.13 0.03 0.00 0.10 0.00 0.00 34.13 32.17 2joq s GLU 65 CO 0.05 -0.27 -0.02 0.14 0.02 0.00 0.00 175.26 175.18 2joq s VAL 66 N -2.06 0.38 -0.27 2.63 -7.23 0.00 -4.87 120.40 108.99 2joq s VAL 66 Ca 0.65 0.02 0.22 0.00 -1.81 0.00 0.00 61.98 61.06 2joq s VAL 66 Cb -0.13 -0.46 0.07 0.00 0.56 0.00 0.00 36.38 36.41 2joq s VAL 66 CO 0.17 0.21 1.17 -1.28 -0.31 0.00 0.00 175.10 175.06 2joq h SER 67 N 7.55 0.00 -5.62 4.85 0.87 -1.95 -1.85 113.55 117.40 2joq h SER 67 Ca -0.33 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 59.89 2joq h SER 67 Cb 1.14 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.01 2joq h SER 67 CO 0.41 0.07 -0.23 0.54 -0.53 0.00 0.00 176.83 177.09 2joq s ASN 68 N -5.64 1.21 0.13 6.23 2.20 -1.26 -4.20 114.94 113.62 2joq s ASN 68 Ca 0.01 -1.60 0.06 0.00 -0.94 0.00 0.00 52.86 50.39 2joq s ASN 68 Cb 0.08 0.67 -0.17 0.00 -2.00 0.00 0.00 41.25 39.84 2joq s ASN 68 CO 0.76 -1.30 1.29 -0.08 -2.94 0.00 0.00 177.10 174.84 2joq h GLU 69 N 2.07 0.04 -0.93 3.55 4.81 -1.98 -3.24 114.58 118.89 2joq h GLU 69 Ca -0.27 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2joq h GLU 69 Cb 1.24 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.59 2joq h GLU 69 CO 0.38 0.99 0.57 0.77 -0.73 0.00 0.00 179.01 180.99 2joq h SER 70 N 0.01 1.11 0.35 1.04 0.02 -1.99 -2.72 113.55 111.37 2joq h SER 70 Ca -0.02 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2joq h SER 70 Cb 1.73 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.98 2joq h SER 70 CO 0.13 0.84 -0.27 -0.33 -1.14 0.00 0.00 176.83 176.07 2joq h GLU 71 N 1.28 -0.59 0.00 3.45 5.08 -1.98 0.32 114.58 122.14 2joq h GLU 71 Ca 0.34 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2joq h GLU 71 Cb -0.07 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2joq h GLU 71 CO -0.06 -0.40 0.00 2.89 -1.00 0.00 0.00 179.01 180.44 2joq n ARG 72 N -5.39 0.12 -0.07 2.33 -4.01 -1.09 -0.76 116.66 107.78 2joq n ARG 72 Ca -0.10 0.51 -0.20 0.00 -1.04 0.00 0.00 57.85 57.03 2joq n ARG 72 Cb 0.30 -1.81 -0.13 0.00 -3.04 0.00 0.00 32.46 27.78 2joq n ARG 72 CO 0.00 0.00 0.00 0.09 -3.04 0.00 0.00 177.63 174.68 2joq n ASN 73 N -2.05 2.04 -0.06 2.89 3.02 -0.92 -4.10 115.26 116.08 2joq n ASN 73 Ca 0.00 0.04 -0.14 0.00 -0.03 0.00 0.00 54.58 54.45 2joq n ASN 73 Cb 0.10 -0.63 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 2joq n ASN 73 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2joq h GLU 74 N -0.02 0.53 -0.73 3.52 4.11 0.69 -2.91 114.58 119.77 2joq h GLU 74 Ca -0.51 -0.31 0.07 0.00 0.07 0.00 0.00 59.36 58.67 2joq h GLU 74 Cb 1.93 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.15 2joq h GLU 74 CO -0.03 0.91 0.41 0.82 0.07 0.00 0.00 179.01 181.19 2joq h ILE 75 N 0.20 0.95 -0.92 -1.06 2.04 -1.18 0.44 117.51 117.98 2joq h ILE 75 Ca 0.02 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.73 2joq h ILE 75 Cb 0.86 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.02 2joq h ILE 75 CO 0.07 0.13 0.59 0.15 0.00 0.00 0.00 178.15 179.09 2joq h PHE 76 N 0.73 1.00 -0.13 1.37 3.57 -1.69 0.80 116.94 122.60 2joq h PHE 76 Ca 0.33 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.66 2joq h PHE 76 Cb 0.24 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2joq h PHE 76 CO -0.07 0.44 -0.73 1.96 -2.23 0.00 0.00 178.31 177.68 2joq h GLN 77 N 0.91 0.60 -0.28 1.11 4.20 -0.80 -2.91 115.11 117.95 2joq h GLN 77 Ca 0.44 -0.48 -0.09 0.00 0.06 0.00 0.00 58.65 58.57 2joq h GLN 77 Cb 0.44 0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 2joq h GLN 77 CO -0.20 1.10 -0.22 0.87 -0.67 0.00 0.00 178.83 179.71 2joq h LYS 78 N 0.42 0.53 0.00 1.46 1.57 -0.00 -1.75 116.57 118.80 2joq h LYS 78 Ca -0.04 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.53 2joq h LYS 78 Cb 1.33 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 2joq h LYS 78 CO 0.14 0.72 -0.10 0.82 -0.57 0.00 0.00 179.45 180.45 2joq h ILE 79 N 0.47 0.92 0.00 1.86 2.04 -0.78 -1.14 117.51 120.88 2joq h ILE 79 Ca 0.07 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2joq h ILE 79 Cb 0.65 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2joq h ILE 79 CO 0.05 0.10 0.00 -1.20 0.00 0.00 0.00 178.15 177.10 2joq n SER 80 N -4.19 0.00 -0.89 1.72 7.64 -0.66 -3.46 113.62 113.77 2joq n SER 80 Ca -0.03 -0.81 0.12 0.00 1.01 0.00 0.00 58.87 59.17 2joq n SER 80 Cb 0.18 -0.06 0.21 0.00 -1.01 0.00 0.00 64.21 63.53 2joq n SER 80 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2joq n GLN 81 N -1.06 2.22 0.19 1.43 6.02 -0.43 -4.23 117.38 121.52 2joq n GLN 81 Ca 0.22 -1.78 0.07 0.00 -0.01 0.00 0.00 57.00 55.49 2joq n GLN 81 Cb 0.13 -1.47 0.32 0.00 1.02 0.00 0.00 30.24 30.24 2joq n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2joq h LEU 82 N 4.14 0.00 0.00 1.08 3.38 -1.70 -3.46 115.31 118.75 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 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2joq h LEU 82 CO 0.00 0.33 0.00 -0.67 0.09 0.00 0.00 178.44 178.19 2joq n ASP 83 N -3.40 0.00 0.12 -0.43 2.03 -1.26 -4.56 116.55 109.06 2joq n ASP 83 Ca 0.00 0.00 0.12 0.00 0.52 0.00 0.00 54.79 55.43 2joq n ASP 83 Cb 0.52 0.00 0.48 0.00 -0.72 0.00 0.00 41.12 41.40 2joq n ASP 83 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2joq n LYS 84 N 0.00 0.19 -3.11 -0.67 5.02 -1.26 -4.75 118.16 113.58 2joq n LYS 84 Ca 0.00 0.39 -0.39 0.00 -2.02 0.00 0.00 58.31 56.29 2joq n LYS 84 Cb 0.00 -1.85 -0.06 0.00 -0.02 0.00 0.00 35.03 33.11 2joq n LYS 84 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2joq s VAL 85 N -3.28 4.72 -0.16 -0.18 0.11 -1.26 -1.65 120.40 118.69 2joq s VAL 85 Ca 0.05 1.44 0.05 0.00 -2.93 0.00 0.00 61.98 60.59 2joq s VAL 85 Cb 0.10 -4.02 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2joq s VAL 85 CO 0.41 0.45 0.17 1.33 -3.33 0.00 0.00 175.10 174.13 2joq n VAL 86 N 2.34 0.00 -3.67 2.04 0.24 -0.04 -4.97 118.33 114.27 2joq n VAL 86 Ca -0.06 -0.33 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 2joq n VAL 86 Cb 0.50 0.86 -0.08 0.00 -1.47 0.00 0.00 33.84 33.65 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 -1.64 0.66 -0.04 7.34 2.00 -1.05 -5.03 119.66 121.90 2joq s GLN 87 Ca 0.01 0.89 -0.01 0.00 -2.00 0.00 0.00 55.36 54.25 2joq s GLN 87 Cb 0.03 0.26 0.03 0.00 0.80 0.00 0.00 33.01 34.13 2joq s GLN 87 CO 0.19 -0.10 0.04 0.95 -0.50 0.00 0.00 175.29 175.86 2joq s THR 88 N 0.68 0.02 -0.06 -0.34 -4.23 -1.26 -1.09 115.64 109.36 2joq s THR 88 Ca -0.03 0.32 0.05 0.00 -1.18 0.00 0.00 61.69 60.84 2joq s THR 88 Cb -0.05 -0.23 -0.02 0.00 1.34 0.00 0.00 72.50 73.54 2joq s THR 88 CO -0.04 0.19 -0.19 -0.76 -0.54 0.00 0.00 174.62 173.27 2joq s LEU 89 N 1.93 2.42 0.00 4.79 1.02 -0.30 -5.00 118.68 123.54 2joq s LEU 89 Ca 0.02 -0.36 0.24 0.00 0.02 0.00 0.00 54.13 54.05 2joq s LEU 89 Cb -0.12 -1.47 0.16 0.00 0.02 0.00 0.00 46.19 44.77 2joq s LEU 89 CO -0.03 0.28 1.21 0.61 0.02 0.00 0.00 176.35 178.44 2joq n GLY 90 N 2.71 0.40 0.29 -3.19 0.00 -1.26 -0.91 105.19 103.23 2joq n GLY 90 Ca -0.17 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.24 2joq n GLY 90 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06