#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 0.92 3.50 1.08 0.00 -1.26 -5.04 105.19 104.39 2joq n GLY 2 Ca 0.00 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 1.19 3.23 -0.03 1.61 2.46 -1.26 -5.07 115.29 117.42 2joq s HIS 3 Ca 0.00 -0.34 -0.14 0.00 0.47 0.00 0.00 55.06 55.05 2joq s HIS 3 Cb 0.00 -2.53 -0.05 0.00 -0.13 0.00 0.00 32.58 29.86 2joq s HIS 3 CO 0.00 -0.45 0.36 0.00 -2.47 0.00 0.00 174.74 172.18 2joq s MET 4 N 1.73 3.88 0.52 2.88 0.23 -1.26 -5.08 119.30 122.20 2joq s MET 4 Ca 0.06 0.31 -0.21 0.00 -1.03 0.00 0.00 55.69 54.83 2joq s MET 4 Cb -0.18 -3.24 -0.06 0.00 -1.53 0.00 0.00 34.83 29.83 2joq s MET 4 CO 0.10 0.66 1.17 -1.25 -2.03 0.00 0.00 175.02 173.67 2joq s PRO 5 N -0.92 3.41 -0.67 3.16 0.04 -1.26 -4.95 135.00 133.80 2joq s PRO 5 Ca 0.22 1.74 -0.26 0.00 0.04 0.00 0.00 61.00 62.74 2joq s PRO 5 Cb -0.16 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.28 2joq s PRO 5 CO 0.11 -0.83 1.18 0.45 0.04 0.00 0.00 177.00 177.96 2joq s SER 6 N -1.55 6.24 -0.97 6.66 0.15 -1.26 -4.95 113.70 118.02 2joq s SER 6 Ca 0.70 -0.39 -0.24 0.00 0.70 0.00 0.00 55.95 56.73 2joq s SER 6 Cb -0.28 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.54 2joq s SER 6 CO 0.32 -1.64 1.51 -0.62 1.20 0.00 0.00 173.24 174.01 2joq s ASP 7 N 3.47 6.24 0.00 5.45 2.15 -1.26 -4.97 116.67 127.76 2joq s ASP 7 Ca 0.35 -1.21 -0.30 0.00 0.43 0.00 0.00 52.55 51.82 2joq s ASP 7 Cb -0.10 -2.57 -0.05 0.00 -0.30 0.00 0.00 42.92 39.91 2joq s ASP 7 CO 0.17 -1.74 1.22 -0.44 -0.17 0.00 0.00 175.17 174.21 2joq s SER 8 N 5.37 7.04 -0.09 -0.34 0.01 -1.26 -5.02 113.70 119.41 2joq s SER 8 Ca 0.49 1.94 -0.07 0.00 1.31 0.00 0.00 55.95 59.62 2joq s SER 8 Cb -0.02 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.67 2joq s SER 8 CO -0.06 -0.55 0.22 -1.59 0.41 0.00 0.00 173.24 171.68 2joq s LYS 9 N 1.71 0.25 0.35 12.44 -2.85 -1.26 -5.10 119.74 125.28 2joq s LYS 9 Ca 0.58 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 2joq s LYS 9 Cb -0.28 0.10 0.00 0.00 -2.06 0.00 0.00 37.83 35.59 2joq s LYS 9 CO 0.26 -0.05 0.00 1.63 0.10 0.00 0.00 175.35 177.29 2joq n LYS 10 N 3.10 -2.85 -2.04 1.78 4.76 -1.26 -4.87 118.16 116.78 2joq n LYS 10 Ca -0.14 2.15 -0.42 0.00 -2.87 0.00 0.00 58.31 57.03 2joq n LYS 10 Cb 0.58 -2.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.25 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 -4.65 4.28 -0.28 1.97 0.04 -1.26 -4.92 135.00 130.18 2joq s PRO 11 Ca 0.00 2.26 -0.28 0.00 0.04 0.00 0.00 61.00 63.01 2joq s PRO 11 Cb 0.00 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.37 2joq s PRO 11 CO 0.00 -0.43 1.87 0.99 0.04 0.00 0.00 177.00 179.47 2joq s THR 12 N 0.34 3.39 0.12 1.26 2.01 -1.26 -4.95 115.64 116.55 2joq s THR 12 Ca 0.62 0.40 -0.29 0.00 0.31 0.00 0.00 61.69 62.72 2joq s THR 12 Cb -0.41 -3.50 -0.06 0.00 0.01 0.00 0.00 72.50 68.54 2joq s THR 12 CO 0.39 -0.30 0.93 -0.63 -0.69 0.00 0.00 174.62 174.32 2joq s ILE 13 N 6.95 4.47 -0.58 1.82 -1.09 -1.26 -5.00 121.20 126.50 2joq s ILE 13 Ca 0.84 2.02 -0.24 0.00 -2.23 0.00 0.00 60.65 61.03 2joq s ILE 13 Cb -0.25 -4.30 0.05 0.00 -1.58 0.00 0.00 42.46 36.38 2joq s ILE 13 CO 0.34 0.35 0.96 -0.63 -1.23 0.00 0.00 174.94 174.73 2joq s ILE 14 N -0.19 4.35 -0.06 2.92 -1.09 -1.26 -5.03 121.20 120.84 2joq s ILE 14 Ca 0.45 0.15 -0.12 0.00 -2.23 0.00 0.00 60.65 58.90 2joq s ILE 14 Cb -0.23 -4.59 -0.05 0.00 -1.58 0.00 0.00 42.46 36.01 2joq s ILE 14 CO 0.29 -1.22 0.30 -0.31 -1.23 0.00 0.00 174.94 172.77 2joq s TYR 15 N 4.05 3.65 0.53 3.97 1.51 -1.26 -3.74 117.35 126.06 2joq s TYR 15 Ca 0.29 0.78 -0.07 0.00 -1.01 0.00 0.00 57.07 57.06 2joq s TYR 15 Cb -0.13 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.51 2joq s TYR 15 CO 0.17 0.63 0.87 -1.25 -1.11 0.00 0.00 175.55 174.86 2joq s PRO 16 N -0.88 3.51 0.07 -1.71 0.04 -1.26 -5.02 135.00 129.75 2joq s PRO 16 Ca 0.20 0.34 -0.26 0.00 0.04 0.00 0.00 61.00 61.32 2joq s PRO 16 Cb -0.15 -2.28 0.08 0.00 0.04 0.00 0.00 34.50 32.19 2joq s PRO 16 CO 0.09 -0.35 0.71 0.00 0.04 0.00 0.00 177.00 177.49 2joq s LEU 18 N -2.41 3.59 -0.06 0.00 1.43 -1.26 -0.78 118.68 119.18 2joq s LEU 18 Ca 0.01 0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 53.90 2joq s LEU 18 Cb -0.01 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2joq s LEU 18 CO -0.08 -1.47 0.47 0.86 0.23 0.00 0.00 176.35 176.35 2joq s TRP 19 N 5.70 3.62 -0.29 0.29 -0.11 0.96 -4.85 118.94 124.26 2joq s TRP 19 Ca 0.65 0.97 -0.15 0.00 1.22 0.00 0.00 56.10 58.79 2joq s TRP 19 Cb -0.16 -2.46 -0.03 0.00 -1.50 0.00 0.00 33.47 29.32 2joq s TRP 19 CO 0.32 0.37 0.39 0.34 -4.62 0.00 0.00 176.95 173.75 2joq s ASP 20 N -0.13 6.25 0.02 5.86 2.15 -1.26 -1.94 116.67 127.62 2joq s ASP 20 Ca 0.26 0.17 0.03 0.00 0.43 0.00 0.00 52.55 53.43 2joq s ASP 20 Cb -0.16 -2.21 -0.04 0.00 -0.30 0.00 0.00 42.92 40.21 2joq s ASP 20 CO 0.12 -0.24 -0.03 -0.31 -0.17 0.00 0.00 175.17 174.54 2joq s TYR 21 N 2.10 2.97 -0.25 -5.34 2.02 0.81 -4.58 117.35 115.07 2joq s TYR 21 Ca 0.15 0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.85 2joq s TYR 21 Cb -0.16 -1.62 0.04 0.00 -0.40 0.00 0.00 41.96 39.82 2joq s TYR 21 CO 0.11 0.43 -0.07 0.50 -1.57 0.00 0.00 175.55 174.94 2joq s ARG 22 N -1.63 2.65 -0.39 -0.62 6.06 -0.60 -1.16 118.95 123.25 2joq s ARG 22 Ca 0.19 -1.10 -0.05 0.00 -2.50 0.00 0.00 55.73 52.28 2joq s ARG 22 Cb -0.11 -2.97 0.09 0.00 0.06 0.00 0.00 34.95 32.02 2joq s ARG 22 CO 0.10 -0.46 0.19 0.08 -2.50 0.00 0.00 175.30 172.71 2joq s VAL 23 N 1.26 3.61 -0.52 7.11 1.01 0.09 -0.67 120.40 132.29 2joq s VAL 23 Ca -0.02 -1.68 -0.20 0.00 0.00 0.00 0.00 61.98 60.07 2joq s VAL 23 Cb -0.18 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 32.96 2joq s VAL 23 CO -0.05 -0.52 0.70 -0.63 0.00 0.00 0.00 175.10 174.60 2joq s ILE 24 N 1.27 4.76 0.15 2.22 1.01 -0.31 -0.27 121.20 130.03 2joq s ILE 24 Ca 0.04 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.38 2joq s ILE 24 Cb -0.22 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.84 2joq s ILE 24 CO -0.01 -0.90 0.06 -0.04 0.00 0.00 0.00 174.94 174.05 2joq s MET 25 N 2.92 2.66 -0.18 2.79 -1.94 -0.12 -1.20 119.30 124.24 2joq s MET 25 Ca 0.18 -0.93 0.09 0.00 -1.71 0.00 0.00 55.69 53.32 2joq s MET 25 Cb -0.18 -2.53 0.54 0.00 2.01 0.00 0.00 34.83 34.66 2joq s MET 25 CO 0.13 0.49 1.37 0.25 -0.01 0.00 0.00 175.02 177.25 2joq n THR 26 N -0.04 1.93 -3.64 2.05 -2.24 -0.25 -0.27 114.28 111.82 2joq n THR 26 Ca -0.09 -0.98 -0.15 0.00 -2.27 0.00 0.00 64.05 60.56 2joq n THR 26 Cb 0.54 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.31 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 -2.18 0.02 -2.24 4.28 -1.32 -1.26 -4.93 115.64 108.00 2joq s THR 27 Ca 0.37 -0.13 0.28 0.00 -1.21 0.00 0.00 61.69 60.99 2joq s THR 27 Cb 0.28 -0.82 0.50 0.00 -1.51 0.00 0.00 72.50 70.95 2joq s THR 27 CO 0.10 -0.07 1.74 0.29 -2.21 0.00 0.00 174.62 174.47 2joq n LYS 28 N 1.61 1.37 -1.74 7.08 5.02 -1.26 -4.58 118.16 125.66 2joq n LYS 28 Ca -0.18 -0.75 -0.42 0.00 -2.02 0.00 0.00 58.31 54.95 2joq n LYS 28 Cb 0.56 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 2joq n LYS 28 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2joq n ASP 29 N -0.16 3.64 -4.68 4.39 2.03 -1.26 -4.93 116.55 115.58 2joq n ASP 29 Ca 0.17 -2.80 -0.40 0.00 0.52 0.00 0.00 54.79 52.28 2joq n ASP 29 Cb 0.33 -1.54 -0.05 0.00 -0.72 0.00 0.00 41.12 39.14 2joq n ASP 29 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2joq s THR 30 N 4.40 4.98 0.00 5.18 -1.32 -1.26 -4.84 115.64 122.78 2joq s THR 30 Ca 0.52 1.39 0.00 0.00 -1.21 0.00 0.00 61.69 62.39 2joq s THR 30 Cb 0.11 -4.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.08 2joq s THR 30 CO 0.01 0.11 0.00 -1.54 -2.21 0.00 0.00 174.62 170.99 2joq n SER 31 N 4.84 0.00 -0.22 8.08 3.41 -1.26 -4.89 113.62 123.58 2joq n SER 31 Ca 0.01 0.00 0.24 0.00 -0.26 0.00 0.00 58.87 58.85 2joq n SER 31 Cb 0.50 0.12 0.61 0.00 -0.26 0.00 0.00 64.21 65.18 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 0.61 -0.50 6.66 2.02 -1.97 -0.19 112.91 119.55 2joq h THR 32 Ca 0.00 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 67.15 2joq h THR 32 Cb 0.00 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.74 2joq h THR 32 CO 0.00 0.04 0.26 0.25 0.37 0.00 0.00 175.52 176.44 2joq h LEU 33 N 0.22 0.37 -0.05 2.58 5.85 -1.95 -1.83 115.31 120.50 2joq h LEU 33 Ca 0.46 0.03 -0.24 0.00 0.84 0.00 0.00 57.88 58.96 2joq h LEU 33 Cb 1.44 -0.04 0.02 0.00 0.37 0.00 0.00 40.66 42.44 2joq h LEU 33 CO -0.11 0.26 -0.91 0.11 -0.34 0.00 0.00 178.44 177.45 2joq h LYS 34 N 0.50 0.71 -0.65 1.25 1.57 -1.39 -3.24 116.57 115.31 2joq h LYS 34 Ca 0.22 -0.69 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 2joq h LYS 34 Cb 0.12 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 2joq h LYS 34 CO -0.15 1.28 0.39 0.93 -0.57 0.00 0.00 179.45 181.33 2joq h GLU 35 N 0.39 0.73 -0.09 3.15 4.39 -1.15 -0.71 114.58 121.29 2joq h GLU 35 Ca -0.10 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2joq h GLU 35 Cb 1.56 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 2joq h GLU 35 CO 0.18 0.48 -0.21 1.37 -1.16 0.00 0.00 179.01 179.67 2joq h LEU 36 N 0.75 0.15 -0.27 1.33 8.10 -1.42 -2.38 115.31 121.58 2joq h LEU 36 Ca 0.27 -0.04 -0.18 0.00 0.11 0.00 0.00 57.88 58.04 2joq h LEU 36 Cb 0.07 -0.04 0.00 0.00 -0.44 0.00 0.00 40.66 40.25 2joq h LEU 36 CO -0.13 0.37 -0.55 -0.07 -4.11 0.00 0.00 178.44 173.96 2joq h LEU 37 N 0.14 0.95 -2.18 0.17 3.38 -1.29 -3.12 115.31 113.35 2joq h LEU 37 Ca 0.03 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 2joq h LEU 37 Cb 0.47 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2joq h LEU 37 CO 0.03 1.31 -0.03 -0.33 0.09 0.00 0.00 178.44 179.51 2joq h GLU 38 N 0.62 0.00 0.00 1.13 4.39 -0.65 -2.02 114.58 118.05 2joq h GLU 38 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2joq h GLU 38 Cb 1.16 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.81 2joq h GLU 38 CO 0.12 0.03 -0.04 1.79 -1.16 0.00 0.00 179.01 179.75 2joq h THR 39 N 0.00 0.48 -0.00 1.13 1.35 -1.44 0.13 112.91 114.56 2joq h THR 39 Ca -0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2joq h THR 39 Cb 0.07 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 2joq h THR 39 CO 0.00 0.04 -0.15 -1.22 -0.25 0.00 0.00 175.52 173.94 2joq n TYR 40 N -3.69 0.00 -2.19 4.73 4.01 -0.76 -4.92 117.16 114.34 2joq n TYR 40 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 2joq n TYR 40 Cb 0.14 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 38.84 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 -1.27 -1.74 -4.40 -0.72 1.13 0.46 -4.97 117.38 105.87 2joq n GLN 41 Ca 0.10 0.93 -0.27 0.00 -1.94 0.00 0.00 57.00 55.82 2joq n GLN 41 Cb 0.31 -5.50 -0.12 0.00 0.11 0.00 0.00 30.24 25.04 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 -4.66 1.58 0.63 -1.09 1.70 -1.26 -5.12 118.95 110.73 2joq s ARG 42 Ca 0.00 -1.46 -0.15 0.00 -0.47 0.00 0.00 55.73 53.65 2joq s ARG 42 Cb 0.00 -1.90 -0.02 0.00 -0.57 0.00 0.00 34.95 32.46 2joq s ARG 42 CO 0.00 0.41 1.08 -1.25 -1.08 0.00 0.00 175.30 174.47 2joq s PRO 43 N -2.58 3.04 0.06 3.89 0.04 -1.26 -4.78 135.00 133.40 2joq s PRO 43 Ca 0.20 1.29 -0.10 0.00 0.04 0.00 0.00 61.00 62.42 2joq s PRO 43 Cb -0.08 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.47 2joq s PRO 43 CO 0.10 -1.05 0.23 -0.59 0.04 0.00 0.00 177.00 175.73 2joq s PHE 44 N -2.42 0.04 -0.30 0.56 -0.12 -1.26 -4.18 117.98 110.29 2joq s PHE 44 Ca 0.65 -0.32 -0.11 0.00 -0.05 0.00 0.00 56.93 57.10 2joq s PHE 44 Cb -0.18 0.00 -0.03 0.00 -0.63 0.00 0.00 43.02 42.18 2joq s PHE 44 CO 0.40 -0.50 0.19 0.21 -0.05 0.00 0.00 175.22 175.47 2joq s LYS 45 N -3.07 3.67 -0.23 1.99 2.36 0.59 -4.95 119.74 120.09 2joq s LYS 45 Ca -0.01 -0.51 -0.05 0.00 -2.55 0.00 0.00 55.97 52.85 2joq s LYS 45 Cb 0.01 -3.66 -0.02 0.00 -1.05 0.00 0.00 37.83 33.11 2joq s LYS 45 CO -0.07 -0.31 0.01 -1.17 1.55 0.00 0.00 175.35 175.36 2joq s LEU 46 N 1.71 3.14 0.05 5.43 2.96 -1.26 -0.90 118.68 129.80 2joq s LEU 46 Ca 0.06 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 2joq s LEU 46 Cb -0.17 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.67 2joq s LEU 46 CO 0.09 -0.03 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.45 2joq s GLU 47 N 1.54 0.53 -0.19 1.98 0.41 -0.30 -5.02 118.70 117.65 2joq s GLU 47 Ca 0.06 -0.98 -0.08 0.00 -0.41 0.00 0.00 54.97 53.56 2joq s GLU 47 Cb -0.15 0.06 -0.04 0.00 -1.78 0.00 0.00 34.13 32.22 2joq s GLU 47 CO -0.00 -0.06 0.07 0.12 -0.49 0.00 0.00 175.26 174.90 2joq s PHE 48 N -2.77 3.25 0.00 1.61 5.36 -1.26 -0.22 117.98 123.94 2joq s PHE 48 Ca -0.02 0.05 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 2joq s PHE 48 Cb -0.00 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 2joq s PHE 48 CO -0.05 0.11 0.00 1.63 -1.46 0.00 0.00 175.22 175.45 2joq n LYS 49 N 3.72 0.00 -3.59 10.12 4.76 -0.02 -4.93 118.16 128.21 2joq n LYS 49 Ca -0.16 0.12 -0.07 0.00 -2.87 0.00 0.00 58.31 55.32 2joq n LYS 49 Cb 0.52 -0.58 -0.04 0.00 -1.84 0.00 0.00 35.03 33.09 2joq n LYS 49 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2joq s ASN 50 N -1.53 -0.24 -0.02 4.39 3.84 -1.21 -5.03 114.94 115.13 2joq s ASN 50 Ca 0.00 0.21 -0.17 0.00 0.21 0.00 0.00 52.86 53.11 2joq s ASN 50 Cb 0.00 0.21 -0.05 0.00 -0.55 0.00 0.00 41.25 40.85 2joq s ASN 50 CO 0.00 -0.26 0.46 0.28 -2.79 0.00 0.00 177.10 174.78 2joq s THR 51 N -1.44 5.02 -0.90 -5.21 -1.32 -1.26 -2.18 115.64 108.35 2joq s THR 51 Ca 0.03 0.94 -0.25 0.00 -1.21 0.00 0.00 61.69 61.20 2joq s THR 51 Cb -0.01 -3.78 -0.11 0.00 -1.51 0.00 0.00 72.50 67.09 2joq s THR 51 CO -0.03 0.50 2.17 -0.44 -2.21 0.00 0.00 174.62 174.61 2joq s SER 52 N -0.57 4.36 0.00 8.08 0.01 0.12 -4.69 113.70 121.01 2joq s SER 52 Ca 0.25 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.03 2joq s SER 52 Cb -0.17 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.50 2joq s SER 52 CO 0.13 -3.53 0.00 2.29 0.41 0.00 0.00 173.24 172.54 2joq n LYS 53 N 8.70 0.00 0.00 12.44 2.85 -1.26 -1.05 118.16 139.84 2joq n LYS 53 Ca 0.44 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.74 2joq n LYS 53 Cb 0.45 0.00 0.20 0.00 -0.65 0.00 0.00 35.03 35.03 2joq n LYS 53 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2joq n ASN 54 N 0.00 0.00 -0.26 -5.58 5.15 -1.26 -4.82 115.26 108.49 2joq n ASN 54 Ca 0.00 0.48 -0.03 0.00 -0.60 0.00 0.00 54.58 54.43 2joq n ASN 54 Cb 0.00 -0.49 -0.01 0.00 -0.53 0.00 0.00 39.78 38.75 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 -1.49 -0.05 0.11 5.20 0.00 -0.22 -4.89 120.51 119.18 2joq n ALA 55 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.50 2joq n ALA 55 Cb 0.11 -0.75 0.05 0.00 0.00 0.00 0.00 19.45 18.85 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 0.35 0.00 -5.66 0.00 1.63 -1.88 -3.45 116.57 107.56 2joq h LYS 56 Ca -0.07 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.14 2joq h LYS 56 Cb 0.40 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 31.72 2joq h LYS 56 CO 0.10 0.73 -0.85 -0.06 -3.45 0.00 0.00 179.45 175.92 2joq s PHE 57 N -3.14 1.85 -0.23 1.91 0.08 -1.26 -4.62 117.98 112.57 2joq s PHE 57 Ca 0.01 -0.47 -0.00 0.00 0.12 0.00 0.00 56.93 56.59 2joq s PHE 57 Cb 0.11 -1.22 0.03 0.00 -0.57 0.00 0.00 43.02 41.36 2joq s PHE 57 CO 0.77 -0.12 -0.11 0.71 -0.10 0.00 0.00 175.22 176.37 2joq s TYR 58 N -0.19 2.99 -0.35 0.36 2.02 0.63 -0.71 117.35 122.10 2joq s TYR 58 Ca 0.01 -1.62 -0.21 0.00 -0.37 0.00 0.00 57.07 54.87 2joq s TYR 58 Cb -0.10 -2.00 0.00 0.00 -0.40 0.00 0.00 41.96 39.46 2joq s TYR 58 CO 0.01 -0.76 0.67 0.45 -1.57 0.00 0.00 175.55 174.35 2joq s SER 59 N 1.30 6.46 0.24 2.29 0.15 -0.93 -0.95 113.70 122.27 2joq s SER 59 Ca 0.01 0.22 0.07 0.00 0.70 0.00 0.00 55.95 56.95 2joq s SER 59 Cb -0.16 -2.34 -0.04 0.00 -1.71 0.00 0.00 66.02 61.78 2joq s SER 59 CO -0.07 -0.61 0.22 -0.36 1.20 0.00 0.00 173.24 173.61 2joq s PHE 60 N 2.78 3.17 -0.09 3.44 0.08 0.63 -0.84 117.98 127.15 2joq s PHE 60 Ca 0.26 -0.09 -0.00 0.00 0.12 0.00 0.00 56.93 57.22 2joq s PHE 60 Cb -0.14 -1.44 0.02 0.00 -0.57 0.00 0.00 43.02 40.89 2joq s PHE 60 CO 0.15 0.51 -0.06 1.21 -0.10 0.00 0.00 175.22 176.93 2joq s ASN 61 N -3.79 1.84 -0.18 1.36 2.47 0.69 -0.73 114.94 116.60 2joq s ASN 61 Ca 0.33 -0.23 0.01 0.00 0.42 0.00 0.00 52.86 53.39 2joq s ASN 61 Cb -0.08 -0.70 0.03 0.00 -1.45 0.00 0.00 41.25 39.04 2joq s ASN 61 CO 0.25 -0.11 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.66 2joq s VAL 62 N 1.52 1.94 -0.35 -5.21 1.01 -0.30 -1.15 120.40 117.86 2joq s VAL 62 Ca 0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 2joq s VAL 62 Cb -0.13 -1.80 0.06 0.00 0.00 0.00 0.00 36.38 34.51 2joq s VAL 62 CO -0.05 0.45 0.11 -0.44 0.00 0.00 0.00 175.10 175.17 2joq s SER 63 N 1.32 5.19 0.15 3.32 0.01 -0.08 -0.14 113.70 123.48 2joq s SER 63 Ca 0.03 -1.43 0.06 0.00 1.31 0.00 0.00 55.95 55.93 2joq s SER 63 Cb -0.14 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 2joq s SER 63 CO -0.12 -0.38 -0.13 0.00 0.41 0.00 0.00 173.24 173.03 2joq s MET 64 N 1.29 1.10 0.38 12.44 0.23 -0.82 -0.30 119.30 133.62 2joq s MET 64 Ca -0.00 -1.37 -0.26 0.00 -1.03 0.00 0.00 55.69 53.03 2joq s MET 64 Cb -0.21 -0.88 -0.09 0.00 -1.53 0.00 0.00 34.83 32.12 2joq s MET 64 CO -0.00 0.15 1.18 -1.21 -2.03 0.00 0.00 175.02 173.11 2joq s GLU 65 N -3.16 4.15 -0.08 3.16 2.02 -1.26 -0.03 118.70 123.50 2joq s GLU 65 Ca 0.14 1.87 0.02 0.00 0.02 0.00 0.00 54.97 57.02 2joq s GLU 65 Cb -0.02 -2.77 0.02 0.00 0.10 0.00 0.00 34.13 31.45 2joq s GLU 65 CO 0.03 -0.24 -0.12 0.14 0.02 0.00 0.00 175.26 175.09 2joq s VAL 66 N -1.36 1.19 -0.89 2.63 -7.23 0.04 -4.83 120.40 109.94 2joq s VAL 66 Ca 0.55 -0.48 0.22 0.00 -1.81 0.00 0.00 61.98 60.47 2joq s VAL 66 Cb -0.32 -1.11 -0.16 0.00 0.56 0.00 0.00 36.38 35.35 2joq s VAL 66 CO 0.40 0.38 1.03 -0.24 -0.31 0.00 0.00 175.10 176.36 2joq n SER 67 N 4.13 0.76 -2.87 4.85 2.88 -1.26 -1.96 113.62 120.15 2joq n SER 67 Ca -0.20 -0.64 -0.09 0.00 -1.33 0.00 0.00 58.87 56.61 2joq n SER 67 Cb 0.51 0.83 0.03 0.00 -0.75 0.00 0.00 64.21 64.83 2joq n SER 67 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2joq s ASN 68 N -3.22 0.05 0.15 -3.46 2.20 -1.26 -4.51 114.94 104.89 2joq s ASN 68 Ca 0.07 -1.19 0.08 0.00 -0.94 0.00 0.00 52.86 50.87 2joq s ASN 68 Cb 0.16 0.86 -0.08 0.00 -2.00 0.00 0.00 41.25 40.19 2joq s ASN 68 CO 0.82 -1.71 1.35 -0.08 -2.94 0.00 0.00 177.10 174.54 2joq h GLU 69 N 2.00 0.01 -0.58 3.55 4.81 -2.00 -3.08 114.58 119.29 2joq h GLU 69 Ca -0.33 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 58.91 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 0.42 0.92 0.36 1.03 -0.73 0.00 0.00 179.01 181.01 2joq h SER 70 N 0.00 0.60 -0.71 1.04 0.87 -1.99 -1.08 113.55 112.28 2joq h SER 70 Ca -0.01 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 2joq h SER 70 Cb 1.62 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.41 2joq h SER 70 CO 0.12 0.43 0.41 -0.33 -0.53 0.00 0.00 176.83 176.92 2joq h GLU 71 N 0.72 0.98 -0.14 2.24 5.08 -1.98 0.16 114.58 121.65 2joq h GLU 71 Ca 0.23 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2joq h GLU 71 Cb -0.02 -0.20 -0.05 0.00 0.50 0.00 0.00 28.75 28.99 2joq h GLU 71 CO -0.08 0.72 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.40 2joq h ARG 72 N 0.98 -0.18 -0.12 2.33 2.43 -1.23 0.14 114.38 118.71 2joq h ARG 72 Ca 0.25 0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.27 2joq h ARG 72 Cb 0.01 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2joq h ARG 72 CO -0.04 -0.12 -0.63 -0.91 -1.51 0.00 0.00 179.97 176.75 2joq h ASN 73 N -0.19 0.52 0.18 -3.80 2.35 -1.02 -2.92 115.58 110.70 2joq h ASN 73 Ca 0.10 -0.31 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 2joq h ASN 73 Cb 0.34 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.56 2joq h ASN 73 CO -0.26 1.02 -0.09 -0.08 -1.65 0.00 0.00 177.43 176.38 2joq h GLU 74 N 0.33 -0.23 -0.83 0.81 4.81 -0.26 -2.82 114.58 116.39 2joq h GLU 74 Ca -0.01 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2joq h GLU 74 Cb 1.18 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.56 2joq h GLU 74 CO 0.11 0.08 0.52 0.82 -0.73 0.00 0.00 179.01 179.81 2joq h ILE 75 N -0.55 1.08 -0.98 2.32 2.04 -0.80 0.30 117.51 120.91 2joq h ILE 75 Ca -0.02 -0.34 0.11 0.00 1.00 0.00 0.00 64.86 65.61 2joq h ILE 75 Cb 0.42 0.01 -0.08 0.00 -0.74 0.00 0.00 36.82 36.43 2joq h ILE 75 CO 0.04 0.18 0.61 0.15 0.00 0.00 0.00 178.15 179.13 2joq h PHE 76 N 0.98 1.11 -0.21 1.37 3.57 -1.50 -0.77 116.94 121.50 2joq h PHE 76 Ca 0.35 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.76 2joq h PHE 76 Cb 0.09 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 2joq h PHE 76 CO -0.03 0.45 -0.34 1.96 -2.23 0.00 0.00 178.31 178.12 2joq h GLN 77 N 0.98 0.59 -0.75 1.11 4.20 -0.86 -3.18 115.11 117.20 2joq h GLN 77 Ca 0.48 -0.36 0.09 0.00 0.06 0.00 0.00 58.65 58.92 2joq h GLN 77 Cb 0.45 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.20 2joq h GLN 77 CO -0.26 0.97 0.41 0.87 -0.67 0.00 0.00 178.83 180.15 2joq h LYS 78 N 0.27 0.67 0.00 1.46 1.79 -0.06 -0.12 116.57 120.58 2joq h LYS 78 Ca 0.02 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2joq h LYS 78 Cb 0.93 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 31.42 2joq h LYS 78 CO 0.08 0.44 -0.04 0.82 -1.08 0.00 0.00 179.45 179.68 2joq h ILE 79 N 0.69 0.95 -0.00 1.86 2.04 -1.18 -1.48 117.51 120.39 2joq h ILE 79 Ca 0.36 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 66.10 2joq h ILE 79 Cb 0.35 1.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2joq h ILE 79 CO -0.25 0.04 -0.04 -0.24 0.00 0.00 0.00 178.15 177.65 2joq n SER 80 N -4.39 0.33 -0.66 1.72 2.88 -0.07 -3.60 113.62 109.83 2joq n SER 80 Ca -0.03 -0.70 0.13 0.00 -1.33 0.00 0.00 58.87 56.93 2joq n SER 80 Cb 0.12 -0.09 0.37 0.00 -0.75 0.00 0.00 64.21 63.86 2joq n SER 80 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2joq n GLN 81 N -0.93 1.91 0.19 -1.46 6.02 -0.56 -4.11 117.38 118.45 2joq n GLN 81 Ca 0.18 -1.33 0.08 0.00 -0.01 0.00 0.00 57.00 55.92 2joq n GLN 81 Cb 0.23 -1.46 0.23 0.00 1.02 0.00 0.00 30.24 30.26 2joq n GLN 81 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2joq h LEU 82 N 3.08 0.00 0.00 1.08 3.38 -1.72 -3.47 115.31 117.66 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 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2joq h LEU 82 CO 0.00 0.28 0.00 -0.67 0.09 0.00 0.00 178.44 178.14 2joq n ASP 83 N -3.25 0.00 0.20 -0.43 2.03 -1.26 -4.61 116.55 109.23 2joq n ASP 83 Ca 0.02 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.46 2joq n ASP 83 Cb 0.57 0.00 0.73 0.00 -0.72 0.00 0.00 41.12 41.70 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 -6.52 -0.67 1.57 -1.93 -3.42 116.57 105.60 2joq h LYS 84 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2joq h LYS 84 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2joq h LYS 84 CO 0.00 0.00 0.17 0.54 -0.57 0.00 0.00 179.45 179.59 2joq s VAL 85 N -4.91 4.40 -0.06 0.50 0.11 -1.26 -1.09 120.40 118.09 2joq s VAL 85 Ca -0.05 1.65 0.07 0.00 -2.93 0.00 0.00 61.98 60.72 2joq s VAL 85 Cb 0.17 -4.10 -0.10 0.00 -1.53 0.00 0.00 36.38 30.81 2joq s VAL 85 CO 0.64 0.50 0.06 1.33 -3.33 0.00 0.00 175.10 174.30 2joq n VAL 86 N 1.52 0.42 -3.69 2.04 0.24 -0.34 -4.93 118.33 113.58 2joq n VAL 86 Ca -0.06 -0.30 -0.18 0.00 -2.04 0.00 0.00 64.34 61.77 2joq n VAL 86 Cb 0.49 -0.56 -0.17 0.00 -1.47 0.00 0.00 33.84 32.13 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 -2.27 -0.03 -0.16 7.34 2.00 -1.10 -5.06 119.66 120.38 2joq s GLN 87 Ca -0.04 0.39 -0.02 0.00 -2.00 0.00 0.00 55.36 53.70 2joq s GLN 87 Cb 0.03 -0.38 -0.02 0.00 0.80 0.00 0.00 33.01 33.45 2joq s GLN 87 CO 0.32 -0.28 -0.09 0.95 -0.50 0.00 0.00 175.29 175.69 2joq s THR 88 N 1.93 3.28 0.30 -0.34 -4.23 -1.26 -1.17 115.64 114.16 2joq s THR 88 Ca 0.01 -0.57 0.08 0.00 -1.18 0.00 0.00 61.69 60.04 2joq s THR 88 Cb -0.12 -2.42 -0.06 0.00 1.34 0.00 0.00 72.50 71.24 2joq s THR 88 CO -0.04 0.49 -0.08 -0.76 -0.54 0.00 0.00 174.62 173.69 2joq s LEU 89 N 0.63 2.59 0.00 4.79 1.02 0.16 -4.92 118.68 122.96 2joq s LEU 89 Ca -0.05 -1.18 0.00 0.00 0.02 0.00 0.00 54.13 52.92 2joq s LEU 89 Cb -0.15 -0.82 0.00 0.00 0.02 0.00 0.00 46.19 45.24 2joq s LEU 89 CO 0.03 -0.26 0.00 0.61 0.02 0.00 0.00 176.35 176.75 2joq n GLY 90 N -0.67 0.59 0.00 -3.19 0.00 -1.26 -1.56 105.19 99.10 2joq n GLY 90 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76