#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 4.20 2.83 1.08 0.00 -1.26 -4.81 105.19 107.24 2joq n GLY 2 Ca 0.00 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 2.55 -0.07 0.15 1.61 5.04 -1.26 -5.13 115.29 118.18 2joq s HIS 3 Ca 0.62 0.34 -0.31 0.00 -1.54 0.00 0.00 55.06 54.17 2joq s HIS 3 Cb 0.17 -0.20 -0.11 0.00 0.04 0.00 0.00 32.58 32.48 2joq s HIS 3 CO -0.06 -0.15 1.80 -1.64 -2.34 0.00 0.00 174.74 172.34 2joq s MET 4 N 1.34 4.13 0.41 2.88 -1.94 -1.26 -4.85 119.30 120.00 2joq s MET 4 Ca -0.07 2.60 0.22 0.00 -1.71 0.00 0.00 55.69 56.73 2joq s MET 4 Cb -0.12 -3.44 1.21 0.00 2.01 0.00 0.00 34.83 34.49 2joq s MET 4 CO -0.05 -0.81 1.65 -1.35 -0.01 0.00 0.00 175.02 174.45 2joq h PRO 5 N 8.07 0.00 -3.60 2.03 0.11 -2.00 -3.45 132.00 133.16 2joq h PRO 5 Ca -0.45 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.35 2joq h PRO 5 Cb 1.21 0.00 0.05 0.00 0.11 0.00 0.00 31.00 32.37 2joq h PRO 5 CO 0.95 0.00 -0.47 0.43 -0.21 0.00 0.00 178.00 178.70 2joq n SER 6 N -2.36 -5.07 -4.55 -2.05 7.64 -1.26 -4.92 113.62 101.05 2joq n SER 6 Ca -0.01 -0.23 -0.38 0.00 1.01 0.00 0.00 58.87 59.25 2joq n SER 6 Cb 0.18 -3.90 -0.03 0.00 -1.01 0.00 0.00 64.21 59.45 2joq n SER 6 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2joq s ASP 7 N -2.82 5.97 -0.32 6.43 1.01 -1.26 -4.90 116.67 120.78 2joq s ASP 7 Ca 0.25 -0.67 -0.02 0.00 0.71 0.00 0.00 52.55 52.82 2joq s ASP 7 Cb -0.11 -2.56 0.12 0.00 1.01 0.00 0.00 42.92 41.38 2joq s ASP 7 CO 0.31 -1.96 0.18 -0.94 0.21 0.00 0.00 175.17 172.97 2joq s SER 8 N 5.50 3.13 0.00 0.27 1.04 -1.26 -5.12 113.70 117.25 2joq s SER 8 Ca 0.49 -1.63 0.00 0.00 0.48 0.00 0.00 55.95 55.29 2joq s SER 8 Cb -0.06 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2joq s SER 8 CO 0.06 -0.38 0.00 0.29 0.98 0.00 0.00 173.24 174.19 2joq n LYS 9 N 4.73 2.16 -0.58 4.02 4.76 -1.26 -5.10 118.16 126.90 2joq n LYS 9 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2joq n LYS 9 Cb 0.40 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 2joq n LYS 9 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2joq n LYS 10 N -0.22 -1.64 -1.83 1.97 4.76 -1.26 -4.85 118.16 115.09 2joq n LYS 10 Ca 0.00 1.21 -0.42 0.00 -2.87 0.00 0.00 58.31 56.23 2joq n LYS 10 Cb 0.00 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 31.81 2joq n LYS 10 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2joq s PRO 11 N -4.72 4.16 0.02 1.97 0.04 -1.26 -4.95 135.00 130.26 2joq s PRO 11 Ca 0.00 2.43 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 2joq s PRO 11 Cb 0.00 -3.94 -0.05 0.00 0.04 0.00 0.00 34.50 30.55 2joq s PRO 11 CO 0.00 -0.87 1.21 0.99 0.04 0.00 0.00 177.00 178.37 2joq s THR 12 N 3.80 4.09 -0.16 1.26 2.01 -1.26 -5.02 115.64 120.35 2joq s THR 12 Ca 0.80 1.47 -0.08 0.00 0.31 0.00 0.00 61.69 64.19 2joq s THR 12 Cb -0.40 -3.95 -0.04 0.00 0.01 0.00 0.00 72.50 68.12 2joq s THR 12 CO 0.36 0.07 0.12 -0.63 -0.69 0.00 0.00 174.62 173.84 2joq s ILE 13 N 1.53 5.31 -0.87 1.82 -1.09 -1.26 -5.04 121.20 121.60 2joq s ILE 13 Ca 0.58 0.15 -0.22 0.00 -2.23 0.00 0.00 60.65 58.92 2joq s ILE 13 Cb -0.28 -3.37 0.07 0.00 -1.58 0.00 0.00 42.46 37.30 2joq s ILE 13 CO 0.27 0.51 1.23 -0.63 -1.23 0.00 0.00 174.94 175.09 2joq s ILE 14 N -0.18 4.20 0.23 2.92 -1.09 -1.26 -5.00 121.20 121.01 2joq s ILE 14 Ca 0.10 -0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 57.52 2joq s ILE 14 Cb -0.12 -4.88 -0.09 0.00 -1.58 0.00 0.00 42.46 35.80 2joq s ILE 14 CO 0.01 -1.71 1.04 -0.31 -1.23 0.00 0.00 174.94 172.74 2joq s TYR 15 N 4.28 3.73 0.31 3.97 1.51 -1.26 -3.48 117.35 126.41 2joq s TYR 15 Ca 0.35 1.75 -0.23 0.00 -1.01 0.00 0.00 57.07 57.94 2joq s TYR 15 Cb -0.06 -3.17 -0.10 0.00 -0.11 0.00 0.00 41.96 38.53 2joq s TYR 15 CO -0.01 -0.18 0.88 -1.25 -1.11 0.00 0.00 175.55 173.88 2joq s PRO 16 N -0.99 4.41 0.24 -1.71 0.05 -1.26 -5.05 135.00 130.70 2joq s PRO 16 Ca 0.45 1.14 -0.15 0.00 0.05 0.00 0.00 61.00 62.49 2joq s PRO 16 Cb -0.29 -2.71 0.01 0.00 0.05 0.00 0.00 34.50 31.56 2joq s PRO 16 CO 0.36 0.26 0.53 0.00 0.05 0.00 0.00 177.00 178.20 2joq s LEU 18 N -2.97 4.55 -0.01 0.00 1.43 -1.26 -0.59 118.68 119.82 2joq s LEU 18 Ca 0.18 1.93 0.04 0.00 -1.03 0.00 0.00 54.13 55.25 2joq s LEU 18 Cb -0.02 -3.74 -0.01 0.00 0.03 0.00 0.00 46.19 42.46 2joq s LEU 18 CO 0.07 0.07 -0.13 0.86 0.23 0.00 0.00 176.35 177.44 2joq s TRP 19 N -1.31 1.20 -0.18 0.29 -0.11 0.18 -4.92 118.94 114.08 2joq s TRP 19 Ca 0.44 -0.25 -0.12 0.00 1.22 0.00 0.00 56.10 57.39 2joq s TRP 19 Cb -0.24 -0.79 -0.05 0.00 -1.50 0.00 0.00 33.47 30.90 2joq s TRP 19 CO 0.30 -0.04 0.23 -0.51 -4.62 0.00 0.00 176.95 172.31 2joq s ASP 20 N -0.23 6.33 -0.24 5.86 1.01 -1.26 -2.09 116.67 126.05 2joq s ASP 20 Ca 0.04 0.38 -0.00 0.00 0.71 0.00 0.00 52.55 53.67 2joq s ASP 20 Cb -0.06 -2.15 0.03 0.00 1.01 0.00 0.00 42.92 41.76 2joq s ASP 20 CO -0.00 0.11 -0.10 -0.31 0.21 0.00 0.00 175.17 175.08 2joq s TYR 21 N 0.54 3.06 -0.50 4.23 1.51 0.11 -4.79 117.35 121.52 2joq s TYR 21 Ca 0.13 -1.73 -0.29 0.00 -1.01 0.00 0.00 57.07 54.17 2joq s TYR 21 Cb -0.12 -2.01 0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2joq s TYR 21 CO 0.02 -0.78 1.18 0.50 -1.11 0.00 0.00 175.55 175.37 2joq s ARG 22 N 1.27 3.65 -0.31 -0.62 6.06 -0.73 -0.78 118.95 127.51 2joq s ARG 22 Ca -0.01 0.53 -0.04 0.00 -2.50 0.00 0.00 55.73 53.71 2joq s ARG 22 Cb -0.17 -3.95 0.03 0.00 0.06 0.00 0.00 34.95 30.93 2joq s ARG 22 CO -0.06 -1.48 0.04 0.08 -2.50 0.00 0.00 175.30 171.38 2joq s VAL 23 N 4.70 3.45 -0.39 7.11 1.01 0.08 -0.36 120.40 136.01 2joq s VAL 23 Ca 0.48 -1.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 2joq s VAL 23 Cb -0.08 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.43 2joq s VAL 23 CO 0.31 -0.05 0.23 -0.63 0.00 0.00 0.00 175.10 174.96 2joq s ILE 24 N 1.37 4.74 0.26 2.22 1.01 0.38 0.08 121.20 131.26 2joq s ILE 24 Ca -0.02 -0.84 0.12 0.00 0.00 0.00 0.00 60.65 59.91 2joq s ILE 24 Cb -0.19 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 2joq s ILE 24 CO 0.01 -0.27 -0.20 -0.04 0.00 0.00 0.00 174.94 174.43 2joq s MET 25 N 1.58 1.64 -0.14 2.79 -1.94 -0.42 -0.72 119.30 122.09 2joq s MET 25 Ca 0.03 -1.72 0.15 0.00 -1.71 0.00 0.00 55.69 52.43 2joq s MET 25 Cb -0.19 -1.76 0.66 0.00 2.01 0.00 0.00 34.83 35.55 2joq s MET 25 CO 0.07 0.34 1.55 0.25 -0.01 0.00 0.00 175.02 177.22 2joq n THR 26 N -0.46 1.87 -4.02 2.05 -2.24 -0.46 -0.46 114.28 110.55 2joq n THR 26 Ca -0.06 -1.09 -0.17 0.00 -2.27 0.00 0.00 64.05 60.46 2joq n THR 26 Cb 0.59 -0.06 -0.16 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.05 0.28 -0.02 4.28 -1.32 -1.26 -4.93 115.64 110.62 2joq s THR 27 Ca 0.46 -0.03 0.31 0.00 -1.21 0.00 0.00 61.69 61.23 2joq s THR 27 Cb 0.31 -0.33 0.38 0.00 -1.51 0.00 0.00 72.50 71.36 2joq s THR 27 CO 0.19 0.14 1.90 0.11 -2.21 0.00 0.00 174.62 174.76 2joq h LYS 28 N 6.91 0.00 -3.69 7.08 1.57 -1.96 -3.37 116.57 123.11 2joq h LYS 28 Ca -0.38 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 57.61 2joq h LYS 28 Cb 1.15 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.19 2joq h LYS 28 CO 0.48 0.00 0.35 0.34 -0.57 0.00 0.00 179.45 180.05 2joq s ASP 29 N -5.80 7.13 -0.16 0.86 2.15 -1.26 -5.01 116.67 114.57 2joq s ASP 29 Ca 0.02 -3.27 -0.20 0.00 0.43 0.00 0.00 52.55 49.54 2joq s ASP 29 Cb 0.08 -2.21 -0.03 0.00 -0.30 0.00 0.00 42.92 40.45 2joq s ASP 29 CO 0.57 -0.40 0.58 0.28 -0.17 0.00 0.00 175.17 176.03 2joq s THR 30 N -0.70 5.08 0.08 1.71 -1.32 -1.26 -4.90 115.64 114.33 2joq s THR 30 Ca 0.27 1.11 0.00 0.00 -1.21 0.00 0.00 61.69 61.86 2joq s THR 30 Cb -0.10 -3.90 0.00 0.00 -1.51 0.00 0.00 72.50 66.99 2joq s THR 30 CO -0.08 0.19 0.00 -0.24 -2.21 0.00 0.00 174.62 172.28 2joq n SER 31 N 4.51 0.09 -0.21 8.08 2.88 -1.26 -4.73 113.62 122.98 2joq n SER 31 Ca -0.03 0.13 0.20 0.00 -1.33 0.00 0.00 58.87 57.84 2joq n SER 31 Cb 0.50 0.05 0.55 0.00 -0.75 0.00 0.00 64.21 64.57 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 0.67 -0.52 2.46 2.02 -1.99 0.34 112.91 115.90 2joq h THR 32 Ca 0.00 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 67.08 2joq h THR 32 Cb 0.23 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 2joq h THR 32 CO 0.00 0.06 0.33 0.25 0.37 0.00 0.00 175.52 176.53 2joq h LEU 33 N 0.32 0.55 -0.44 2.58 5.85 -1.95 -1.66 115.31 120.56 2joq h LEU 33 Ca 0.44 -0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.99 2joq h LEU 33 Cb 1.21 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2joq h LEU 33 CO -0.14 0.39 -0.78 0.11 -0.34 0.00 0.00 178.44 177.69 2joq h LYS 34 N 0.66 0.11 -0.27 1.25 1.57 -0.74 -3.05 116.57 116.10 2joq h LYS 34 Ca 0.20 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2joq h LYS 34 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2joq h LYS 34 CO -0.07 0.83 0.14 0.93 -0.57 0.00 0.00 179.45 180.71 2joq h GLU 35 N 0.07 0.38 -0.04 3.15 5.08 -0.41 0.21 114.58 123.02 2joq h GLU 35 Ca -0.02 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2joq h GLU 35 Cb 1.36 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 2joq h GLU 35 CO 0.11 0.34 -0.28 1.37 -1.00 0.00 0.00 179.01 179.55 2joq h LEU 36 N 0.32 0.07 -0.51 1.33 8.10 -1.35 -1.49 115.31 121.79 2joq h LEU 36 Ca 0.09 -0.02 -0.16 0.00 0.11 0.00 0.00 57.88 57.91 2joq h LEU 36 Cb 0.08 -0.02 -0.01 0.00 -0.44 0.00 0.00 40.66 40.27 2joq h LEU 36 CO -0.01 0.35 -0.48 -0.07 -4.11 0.00 0.00 178.44 174.12 2joq h LEU 37 N 0.07 0.73 -1.40 0.17 3.38 -1.32 -3.11 115.31 113.83 2joq h LEU 37 Ca 0.01 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 2joq h LEU 37 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2joq h LEU 37 CO 0.04 1.09 -0.24 -0.33 0.09 0.00 0.00 178.44 179.09 2joq h GLU 38 N 0.53 0.09 0.00 1.13 4.39 0.37 -2.50 114.58 118.60 2joq h GLU 38 Ca 0.03 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2joq h GLU 38 Cb 1.03 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 2joq h GLU 38 CO 0.10 0.33 0.00 1.79 -1.16 0.00 0.00 179.01 180.07 2joq h THR 39 N 0.09 0.00 0.00 1.13 1.35 -1.26 0.13 112.91 114.35 2joq h THR 39 Ca 0.01 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2joq h THR 39 Cb 0.47 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2joq h THR 39 CO 0.03 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.08 2joq n TYR 40 N -2.73 0.88 -1.98 4.73 4.01 -0.94 -4.91 117.16 116.22 2joq n TYR 40 Ca 0.01 0.27 -0.20 0.00 -0.16 0.00 0.00 57.90 57.82 2joq n TYR 40 Cb 0.25 -0.94 -0.05 0.00 -0.31 0.00 0.00 39.34 38.29 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 -2.23 -1.58 -4.26 -0.72 1.13 0.44 -4.98 117.38 105.18 2joq n GLN 41 Ca 0.05 1.09 -0.28 0.00 -1.94 0.00 0.00 57.00 55.92 2joq n GLN 41 Cb 0.38 -5.60 -0.10 0.00 0.11 0.00 0.00 30.24 25.03 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 -4.36 2.08 0.53 -1.09 1.70 -1.26 -5.12 118.95 111.43 2joq s ARG 42 Ca 0.00 -1.16 -0.21 0.00 -0.47 0.00 0.00 55.73 53.89 2joq s ARG 42 Cb 0.00 -2.22 -0.06 0.00 -0.57 0.00 0.00 34.95 32.10 2joq s ARG 42 CO 0.00 0.47 1.18 -1.25 -1.08 0.00 0.00 175.30 174.62 2joq s PRO 43 N -2.55 3.37 -0.02 3.89 0.04 -1.26 -4.82 135.00 133.65 2joq s PRO 43 Ca 0.23 1.78 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 2joq s PRO 43 Cb -0.10 -2.14 0.05 0.00 0.04 0.00 0.00 34.50 32.35 2joq s PRO 43 CO 0.14 -0.88 0.51 -0.59 0.04 0.00 0.00 177.00 176.22 2joq s PHE 44 N -1.60 -0.43 -0.25 0.56 -0.71 -1.26 -3.89 117.98 110.40 2joq s PHE 44 Ca 0.71 0.66 -0.08 0.00 -1.04 0.00 0.00 56.93 57.18 2joq s PHE 44 Cb -0.29 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2joq s PHE 44 CO 0.33 -0.54 0.10 0.21 -1.34 0.00 0.00 175.22 173.99 2joq s LYS 45 N -1.53 3.77 -0.39 1.99 2.20 0.83 -4.97 119.74 121.64 2joq s LYS 45 Ca -0.11 -0.42 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 2joq s LYS 45 Cb -0.02 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 2joq s LYS 45 CO 0.05 -0.15 0.26 -1.17 -0.36 0.00 0.00 175.35 173.98 2joq s LEU 46 N 1.55 4.93 -0.09 5.43 1.98 -1.26 -1.07 118.68 130.15 2joq s LEU 46 Ca 0.06 -0.96 0.03 0.00 -2.89 0.00 0.00 54.13 50.37 2joq s LEU 46 Cb -0.15 -2.09 0.01 0.00 0.66 0.00 0.00 46.19 44.61 2joq s LEU 46 CO 0.06 -0.42 -0.19 -1.83 -1.89 0.00 0.00 176.35 172.08 2joq s GLU 47 N 1.62 2.48 -0.45 1.98 -1.05 -0.66 -5.00 118.70 117.62 2joq s GLU 47 Ca 0.03 -0.68 -0.27 0.00 -0.15 0.00 0.00 54.97 53.91 2joq s GLU 47 Cb -0.19 -1.97 0.03 0.00 -0.44 0.00 0.00 34.13 31.56 2joq s GLU 47 CO 0.08 0.07 0.99 0.12 0.95 0.00 0.00 175.26 177.47 2joq s PHE 48 N 0.60 2.92 0.01 4.83 5.36 -1.26 0.09 117.98 130.52 2joq s PHE 48 Ca -0.14 0.54 -0.07 0.00 -0.96 0.00 0.00 56.93 56.30 2joq s PHE 48 Cb -0.17 -4.05 -0.04 0.00 -0.34 0.00 0.00 43.02 38.42 2joq s PHE 48 CO 0.04 -1.11 0.89 0.87 -1.46 0.00 0.00 175.22 174.46 2joq h LYS 49 N 9.02 -0.25 -1.11 10.12 1.79 -1.10 -3.48 116.57 131.56 2joq h LYS 49 Ca -0.24 0.02 0.34 0.00 -2.18 0.00 0.00 60.65 58.60 2joq h LYS 49 Cb 1.07 0.06 -0.18 0.00 -1.58 0.00 0.00 32.23 31.60 2joq h LYS 49 CO 1.05 -0.17 0.96 1.21 -1.08 0.00 0.00 179.45 181.42 2joq s ASN 50 N -2.73 -0.02 0.01 0.86 3.84 -1.07 -5.04 114.94 110.78 2joq s ASN 50 Ca -0.04 -0.01 -0.03 0.00 0.21 0.00 0.00 52.86 52.99 2joq s ASN 50 Cb 0.00 0.04 -0.04 0.00 -0.55 0.00 0.00 41.25 40.70 2joq s ASN 50 CO 0.11 -0.06 0.21 0.28 -2.79 0.00 0.00 177.10 174.85 2joq s THR 51 N -2.10 5.40 0.73 -5.21 -1.32 -1.26 -1.17 115.64 110.70 2joq s THR 51 Ca 0.13 -0.11 -0.16 0.00 -1.21 0.00 0.00 61.69 60.33 2joq s THR 51 Cb 0.02 -3.56 -0.04 0.00 -1.51 0.00 0.00 72.50 67.42 2joq s THR 51 CO -0.04 0.30 0.51 -1.20 -2.21 0.00 0.00 174.62 171.98 2joq n SER 52 N 0.88 -1.29 0.20 8.08 7.64 0.32 -4.80 113.62 124.66 2joq n SER 52 Ca -0.10 0.58 0.05 0.00 1.01 0.00 0.00 58.87 60.41 2joq n SER 52 Cb 0.52 -1.21 0.48 0.00 -1.01 0.00 0.00 64.21 62.99 2joq n SER 52 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2joq h LYS 53 N -0.41 0.05 -0.01 1.43 1.63 -1.98 0.24 116.57 117.52 2joq h LYS 53 Ca -0.45 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2joq h LYS 53 Cb 1.35 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2joq h LYS 53 CO 0.42 0.22 0.00 -1.71 -3.45 0.00 0.00 179.45 174.94 2joq n ASN 54 N -4.31 0.71 -1.78 4.20 5.15 -1.26 -4.91 115.26 113.07 2joq n ASN 54 Ca -0.02 -1.27 -0.20 0.00 -0.60 0.00 0.00 54.58 52.49 2joq n ASN 54 Cb 0.25 -0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.43 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 -0.43 -0.39 0.04 5.20 0.00 0.83 -4.87 120.51 120.89 2joq n ALA 55 Ca 0.21 0.28 -0.21 0.00 0.00 0.00 0.00 53.44 53.72 2joq n ALA 55 Cb 0.22 -2.05 -0.14 0.00 0.00 0.00 0.00 19.45 17.48 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 0.30 -6.52 0.00 3.64 -1.91 -3.47 116.57 108.61 2joq h LYS 56 Ca -0.43 -0.51 -0.70 0.00 -1.27 0.00 0.00 60.65 57.73 2joq h LYS 56 Cb 1.33 0.19 -0.28 0.00 -0.41 0.00 0.00 32.23 33.06 2joq h LYS 56 CO 0.59 1.25 -0.86 -0.06 -2.27 0.00 0.00 179.45 178.10 2joq s PHE 57 N -2.46 2.43 -0.27 1.91 0.08 -1.26 -4.75 117.98 113.67 2joq s PHE 57 Ca -0.15 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.46 2joq s PHE 57 Cb 0.02 -1.54 -0.01 0.00 -0.57 0.00 0.00 43.02 40.93 2joq s PHE 57 CO 0.82 0.02 0.06 0.71 -0.10 0.00 0.00 175.22 176.73 2joq s TYR 58 N -0.63 3.09 -0.39 0.36 2.02 0.39 -0.52 117.35 121.67 2joq s TYR 58 Ca 0.10 -0.74 -0.19 0.00 -0.37 0.00 0.00 57.07 55.87 2joq s TYR 58 Cb -0.10 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 2joq s TYR 58 CO -0.01 -0.48 0.55 -1.12 -1.57 0.00 0.00 175.55 172.92 2joq s SER 59 N 1.55 6.31 0.35 2.29 0.01 -0.32 -1.30 113.70 122.58 2joq s SER 59 Ca 0.05 -0.23 0.07 0.00 1.31 0.00 0.00 55.95 57.15 2joq s SER 59 Cb -0.16 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 2joq s SER 59 CO 0.02 -0.61 0.36 -0.36 0.41 0.00 0.00 173.24 173.07 2joq s PHE 60 N 2.52 2.91 -0.04 2.43 0.08 0.11 -0.53 117.98 125.46 2joq s PHE 60 Ca 0.19 -0.32 -0.02 0.00 0.12 0.00 0.00 56.93 56.91 2joq s PHE 60 Cb -0.15 -1.94 0.03 0.00 -0.57 0.00 0.00 43.02 40.40 2joq s PHE 60 CO 0.15 0.06 0.08 1.21 -0.10 0.00 0.00 175.22 176.62 2joq s ASN 61 N -4.08 0.37 -0.27 1.36 2.47 0.11 -0.74 114.94 114.16 2joq s ASN 61 Ca 0.44 0.15 -0.10 0.00 0.42 0.00 0.00 52.86 53.77 2joq s ASN 61 Cb -0.06 0.03 -0.04 0.00 -1.45 0.00 0.00 41.25 39.72 2joq s ASN 61 CO 0.28 -0.18 0.16 -0.69 -3.72 0.00 0.00 177.10 172.95 2joq s VAL 62 N 1.52 5.05 -0.35 -5.21 1.01 0.04 -1.65 120.40 120.82 2joq s VAL 62 Ca -0.04 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 2joq s VAL 62 Cb -0.12 -3.40 0.07 0.00 0.00 0.00 0.00 36.38 32.93 2joq s VAL 62 CO -0.04 0.27 0.10 -0.44 0.00 0.00 0.00 175.10 174.99 2joq s SER 63 N 1.72 5.12 0.13 3.32 0.01 -0.23 0.07 113.70 123.84 2joq s SER 63 Ca 0.07 -1.53 0.02 0.00 1.31 0.00 0.00 55.95 55.82 2joq s SER 63 Cb -0.16 -1.79 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 2joq s SER 63 CO 0.09 -0.38 -0.06 0.00 0.41 0.00 0.00 173.24 173.30 2joq s MET 64 N 1.24 0.96 0.24 12.44 0.23 -0.89 -0.12 119.30 133.41 2joq s MET 64 Ca 0.01 -1.42 -0.30 0.00 -1.03 0.00 0.00 55.69 52.95 2joq s MET 64 Cb -0.21 -0.32 -0.09 0.00 -1.53 0.00 0.00 34.83 32.69 2joq s MET 64 CO -0.01 -0.03 1.09 -1.21 -2.03 0.00 0.00 175.02 172.83 2joq s GLU 65 N -3.84 4.63 -0.09 3.16 2.02 -1.25 -0.65 118.70 122.69 2joq s GLU 65 Ca 0.16 1.76 0.02 0.00 0.02 0.00 0.00 54.97 56.93 2joq s GLU 65 Cb 0.05 -3.22 0.01 0.00 0.10 0.00 0.00 34.13 31.07 2joq s GLU 65 CO -0.01 0.18 -0.13 0.14 0.02 0.00 0.00 175.26 175.46 2joq s VAL 66 N -0.84 1.28 -0.02 2.63 -7.23 0.25 -4.92 120.40 111.54 2joq s VAL 66 Ca 0.46 -0.53 0.10 0.00 -1.81 0.00 0.00 61.98 60.20 2joq s VAL 66 Cb -0.31 -1.18 -0.23 0.00 0.56 0.00 0.00 36.38 35.22 2joq s VAL 66 CO 0.38 0.39 0.74 -1.28 -0.31 0.00 0.00 175.10 175.03 2joq h SER 67 N 7.29 0.04 -5.72 4.85 0.87 -1.94 -2.03 113.55 116.90 2joq h SER 67 Ca -0.30 -0.08 -0.46 0.00 -1.23 0.00 0.00 61.79 59.72 2joq h SER 67 Cb 1.18 -0.01 -0.13 0.00 -0.44 0.00 0.00 62.40 62.99 2joq h SER 67 CO 0.47 1.07 -0.50 0.54 -0.53 0.00 0.00 176.83 177.88 2joq s ASN 68 N -6.27 1.60 0.15 6.23 2.20 -1.26 -4.35 114.94 113.24 2joq s ASN 68 Ca -0.05 -1.72 0.17 0.00 -0.94 0.00 0.00 52.86 50.32 2joq s ASN 68 Cb 0.08 0.54 -0.05 0.00 -2.00 0.00 0.00 41.25 39.82 2joq s ASN 68 CO 0.82 -1.04 1.06 -0.08 -2.94 0.00 0.00 177.10 174.92 2joq h GLU 69 N 2.16 0.00 -0.79 3.55 4.81 -1.99 -3.25 114.58 119.07 2joq h GLU 69 Ca -0.26 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 2joq h GLU 69 Cb 1.24 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 2joq h GLU 69 CO 0.39 0.31 0.52 1.03 -0.73 0.00 0.00 179.01 180.53 2joq h SER 70 N 0.00 0.89 -0.26 1.04 0.87 -1.99 0.31 113.55 114.41 2joq h SER 70 Ca -0.09 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 2joq h SER 70 Cb 1.44 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2joq h SER 70 CO 0.05 0.63 0.06 -0.33 -0.53 0.00 0.00 176.83 176.71 2joq h GLU 71 N 1.04 0.42 -0.90 2.24 5.08 -1.99 -0.24 114.58 120.23 2joq h GLU 71 Ca 0.30 -0.10 0.14 0.00 -1.00 0.00 0.00 59.36 58.70 2joq h GLU 71 Cb -0.08 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 2joq h GLU 71 CO -0.07 0.52 0.58 -0.09 -1.00 0.00 0.00 179.01 178.95 2joq h ARG 72 N 0.24 0.68 -0.02 2.33 1.12 -1.23 0.25 114.38 117.74 2joq h ARG 72 Ca 0.08 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.86 2joq h ARG 72 Cb 0.30 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2joq h ARG 72 CO 0.00 0.45 -0.19 -0.91 -3.11 0.00 0.00 179.97 176.21 2joq h ASN 73 N 0.70 0.21 -0.05 -3.80 2.35 -0.78 -3.10 115.58 111.10 2joq h ASN 73 Ca 0.45 -0.70 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 2joq h ASN 73 Cb 0.72 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 2joq h ASN 73 CO -0.21 0.88 0.03 -0.08 -1.65 0.00 0.00 177.43 176.40 2joq h GLU 74 N -0.44 0.07 -0.73 0.81 4.81 0.01 -2.46 114.58 116.66 2joq h GLU 74 Ca -0.02 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.28 2joq h GLU 74 Cb 0.89 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.19 2joq h GLU 74 CO 0.04 0.05 0.41 0.82 -0.73 0.00 0.00 179.01 179.59 2joq h ILE 75 N 0.07 0.95 -0.98 2.32 2.04 -0.68 0.23 117.51 121.46 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 -0.01 0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 36.15 2joq h ILE 75 CO -0.00 0.13 0.61 0.15 0.00 0.00 0.00 178.15 179.04 2joq h PHE 76 N 0.73 1.11 -0.24 1.37 3.57 -1.40 -0.61 116.94 121.47 2joq h PHE 76 Ca 0.34 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.73 2joq h PHE 76 Cb 0.25 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.63 2joq h PHE 76 CO -0.07 0.48 -0.41 1.96 -2.23 0.00 0.00 178.31 178.04 2joq h GLN 77 N 1.01 0.70 -0.71 1.11 4.20 -0.56 -3.20 115.11 117.67 2joq h GLN 77 Ca 0.47 -0.43 0.08 0.00 0.06 0.00 0.00 58.65 58.83 2joq h GLN 77 Cb 0.39 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 2joq h GLN 77 CO -0.24 1.05 0.37 0.87 -0.67 0.00 0.00 178.83 180.21 2joq h LYS 78 N 0.41 0.62 -0.06 1.46 1.79 0.35 -1.32 116.57 119.82 2joq h LYS 78 Ca 0.02 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2joq h LYS 78 Cb 1.00 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2joq h LYS 78 CO 0.09 0.41 0.05 0.82 -1.08 0.00 0.00 179.45 179.74 2joq h ILE 79 N 0.64 0.90 0.00 1.86 2.04 -1.14 -0.96 117.51 120.85 2joq h ILE 79 Ca 0.34 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 66.05 2joq h ILE 79 Cb 0.31 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2joq h ILE 79 CO -0.24 0.00 -0.68 -1.28 0.00 0.00 0.00 178.15 175.95 2joq h SER 80 N 0.00 0.00 0.00 1.72 0.87 -1.28 -3.25 113.55 111.61 2joq h SER 80 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2joq h SER 80 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2joq h SER 80 CO -0.00 0.68 0.00 0.00 -0.53 0.00 0.00 176.83 176.98 2joq n GLN 81 N -3.70 0.51 0.09 2.24 6.02 -0.36 -2.27 117.38 119.90 2joq n GLN 81 Ca -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2joq n GLN 81 Cb 0.68 -1.32 -0.04 0.00 1.02 0.00 0.00 30.24 30.59 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 0.00 0.00 0.00 1.08 3.38 -1.70 -3.47 115.31 114.60 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 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2joq h LEU 82 CO 0.00 0.63 0.00 -0.67 0.09 0.00 0.00 178.44 178.49 2joq n ASP 83 N -3.14 0.00 0.00 -0.43 2.03 -0.96 -4.60 116.55 109.44 2joq n ASP 83 Ca -0.02 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.36 2joq n ASP 83 Cb 0.81 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 41.52 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 0.01 -3.23 -0.67 5.02 -1.26 -4.70 118.16 113.33 2joq n LYS 84 Ca 0.00 0.26 -0.39 0.00 -2.02 0.00 0.00 58.31 56.17 2joq n LYS 84 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 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 -3.01 5.05 -0.09 -0.18 0.11 -1.26 -1.36 120.40 119.65 2joq s VAL 85 Ca 0.07 1.16 0.20 0.00 -2.93 0.00 0.00 61.98 60.48 2joq s VAL 85 Cb 0.09 -3.90 -0.31 0.00 -1.53 0.00 0.00 36.38 30.74 2joq s VAL 85 CO 0.26 0.36 0.33 1.33 -3.33 0.00 0.00 175.10 174.04 2joq n VAL 86 N 3.26 0.53 -3.60 2.04 0.24 0.10 -4.97 118.33 115.91 2joq n VAL 86 Ca -0.06 -0.64 -0.14 0.00 -2.04 0.00 0.00 64.34 61.46 2joq n VAL 86 Cb 0.51 -0.17 -0.07 0.00 -1.47 0.00 0.00 33.84 32.64 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 -3.13 0.85 -0.02 7.34 2.00 -1.12 -5.05 119.66 120.52 2joq s GLN 87 Ca -0.09 0.74 -0.02 0.00 -2.00 0.00 0.00 55.36 53.99 2joq s GLN 87 Cb 0.11 0.41 0.01 0.00 0.80 0.00 0.00 33.01 34.33 2joq s GLN 87 CO 0.88 -0.15 0.06 -0.08 -0.50 0.00 0.00 175.29 175.50 2joq s THR 88 N -0.07 0.00 -0.29 -0.34 -1.32 -1.26 -0.47 115.64 111.89 2joq s THR 88 Ca -0.02 -0.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.46 2joq s THR 88 Cb -0.04 -0.11 0.08 0.00 -1.51 0.00 0.00 72.50 70.92 2joq s THR 88 CO 0.02 -0.02 -0.04 -0.76 -2.21 0.00 0.00 174.62 171.62 2joq s LEU 89 N -0.02 3.78 -0.39 9.08 2.01 0.51 -4.97 118.68 128.69 2joq s LEU 89 Ca -0.01 -1.66 0.05 0.00 0.01 0.00 0.00 54.13 52.52 2joq s LEU 89 Cb -0.01 -1.51 0.45 0.00 0.01 0.00 0.00 46.19 45.14 2joq s LEU 89 CO 0.00 -0.27 1.36 0.61 1.01 0.00 0.00 176.35 179.06 2joq n GLY 90 N 4.41 6.25 0.00 -3.19 0.00 -1.26 -1.77 105.19 109.63 2joq n GLY 90 Ca -0.07 -2.61 0.07 0.00 0.00 0.00 0.00 46.02 43.41 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76