#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 3.97 3.82 1.69 0.00 -1.26 -4.56 105.19 108.85 2joq n GLY 2 Ca 0.00 0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 3.56 -0.12 1.61 3.76 -1.26 -4.99 115.29 117.86 2joq s HIS 3 Ca 0.00 1.39 -0.29 0.00 -0.15 0.00 0.00 55.06 56.01 2joq s HIS 3 Cb 0.00 -2.64 -0.06 0.00 1.11 0.00 0.00 32.58 30.99 2joq s HIS 3 CO 0.00 0.23 1.94 -1.64 -0.85 0.00 0.00 174.74 174.42 2joq s MET 4 N -2.33 3.73 -0.80 1.40 1.00 -1.26 -4.88 119.30 116.16 2joq s MET 4 Ca 0.48 2.16 -0.25 0.00 0.00 0.00 0.00 55.69 58.07 2joq s MET 4 Cb -0.15 -4.19 -0.04 0.00 0.00 0.00 0.00 34.83 30.46 2joq s MET 4 CO 0.20 -1.40 1.93 -1.25 0.00 0.00 0.00 175.02 174.49 2joq s PRO 5 N 5.09 2.56 -0.28 2.03 0.04 -1.26 -4.91 135.00 138.27 2joq s PRO 5 Ca 0.87 0.05 -0.28 0.00 0.04 0.00 0.00 61.00 61.68 2joq s PRO 5 Cb -0.34 -4.82 -0.05 0.00 0.04 0.00 0.00 34.50 29.33 2joq s PRO 5 CO 0.36 -3.17 2.20 -1.54 0.04 0.00 0.00 177.00 174.88 2joq s SER 6 N 8.14 5.35 -2.04 6.66 1.04 -1.26 -1.93 113.70 129.66 2joq s SER 6 Ca 0.70 1.69 0.00 0.00 0.48 0.00 0.00 55.95 58.81 2joq s SER 6 Cb -0.09 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2joq s SER 6 CO 0.07 -2.08 0.00 0.47 0.98 0.00 0.00 173.24 172.68 2joq n ASP 7 N 12.18 -5.40 -4.55 7.02 9.92 -1.26 -4.97 116.55 129.50 2joq n ASP 7 Ca 0.30 0.47 -0.30 0.00 -0.53 0.00 0.00 54.79 54.73 2joq n ASP 7 Cb 0.47 -4.58 -0.11 0.00 -0.64 0.00 0.00 41.12 36.26 2joq n ASP 7 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2joq s SER 8 N -2.77 4.24 -1.36 -2.24 0.15 -0.81 -4.49 113.70 106.41 2joq s SER 8 Ca 0.00 -0.41 -0.08 0.00 0.70 0.00 0.00 55.95 56.16 2joq s SER 8 Cb 0.00 -0.77 0.02 0.00 -1.71 0.00 0.00 66.02 63.56 2joq s SER 8 CO 0.00 0.20 1.13 1.17 1.20 0.00 0.00 173.24 176.94 2joq n LYS 9 N 0.89 -7.49 -0.67 5.44 4.81 -1.26 -4.53 118.16 115.36 2joq n LYS 9 Ca -0.14 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2joq n LYS 9 Cb 0.52 -5.82 0.00 0.00 0.02 0.00 0.00 35.03 29.75 2joq n LYS 9 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2joq n LYS 10 N -4.86 -1.57 -0.65 1.64 4.76 -1.26 -5.01 118.16 111.21 2joq n LYS 10 Ca -0.03 1.23 -0.29 0.00 -2.87 0.00 0.00 58.31 56.35 2joq n LYS 10 Cb 0.57 -1.23 0.22 0.00 -1.84 0.00 0.00 35.03 32.75 2joq n LYS 10 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 2joq s PRO 11 N -3.13 -0.25 -0.31 1.97 0.02 -1.26 -4.77 135.00 127.27 2joq s PRO 11 Ca 0.00 1.01 -0.28 0.00 0.02 0.00 0.00 61.00 61.75 2joq s PRO 11 Cb 0.00 -1.62 -0.03 0.00 0.02 0.00 0.00 34.50 32.87 2joq s PRO 11 CO 0.00 -3.32 1.94 0.99 -0.33 0.00 0.00 177.00 176.28 2joq s THR 12 N -2.56 3.32 -0.27 0.99 2.01 -1.26 -4.95 115.64 112.92 2joq s THR 12 Ca 0.68 0.32 -0.10 0.00 0.31 0.00 0.00 61.69 62.90 2joq s THR 12 Cb -0.24 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2joq s THR 12 CO 0.62 -0.30 0.16 -0.63 -0.69 0.00 0.00 174.62 173.78 2joq s ILE 13 N 7.54 5.04 -0.29 1.82 -1.09 -1.26 -5.07 121.20 127.89 2joq s ILE 13 Ca 0.86 0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 59.20 2joq s ILE 13 Cb -0.25 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.21 2joq s ILE 13 CO 0.33 0.27 0.37 -0.63 -1.23 0.00 0.00 174.94 174.05 2joq s ILE 14 N 1.72 5.17 0.01 2.92 -1.09 -1.26 -5.07 121.20 123.60 2joq s ILE 14 Ca 0.07 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 58.88 2joq s ILE 14 Cb -0.16 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.95 2joq s ILE 14 CO 0.09 0.08 0.15 -0.31 -1.23 0.00 0.00 174.94 173.72 2joq s TYR 15 N 2.06 3.44 0.81 3.97 1.51 -1.26 -4.21 117.35 123.66 2joq s TYR 15 Ca 0.14 0.27 -0.12 0.00 -1.01 0.00 0.00 57.07 56.35 2joq s TYR 15 Cb -0.16 -1.77 0.08 0.00 -0.11 0.00 0.00 41.96 39.99 2joq s TYR 15 CO 0.11 0.60 1.13 -2.14 -1.11 0.00 0.00 175.55 174.14 2joq s PRO 16 N -2.02 2.01 -0.01 -1.71 0.02 -1.26 -5.03 135.00 126.99 2joq s PRO 16 Ca 0.28 0.34 -0.29 0.00 0.02 0.00 0.00 61.00 61.34 2joq s PRO 16 Cb -0.12 -1.94 0.08 0.00 0.02 0.00 0.00 34.50 32.54 2joq s PRO 16 CO 0.19 -1.61 0.72 0.00 -0.33 0.00 0.00 177.00 175.97 2joq s LEU 18 N -1.68 3.33 -0.09 0.00 1.43 -1.26 -0.80 118.68 119.61 2joq s LEU 18 Ca -0.05 0.28 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 2joq s LEU 18 Cb -0.00 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.37 2joq s LEU 18 CO 0.01 -2.01 0.45 0.86 0.23 0.00 0.00 176.35 175.90 2joq s TRP 19 N 7.33 3.57 -0.13 0.29 -0.11 0.93 -4.84 118.94 125.98 2joq s TRP 19 Ca 0.58 0.90 -0.09 0.00 1.22 0.00 0.00 56.10 58.72 2joq s TRP 19 Cb -0.12 -2.48 -0.04 0.00 -1.50 0.00 0.00 33.47 29.33 2joq s TRP 19 CO 0.22 0.29 0.18 0.16 -4.62 0.00 0.00 176.95 173.18 2joq s ASP 20 N 0.19 6.40 -0.18 5.86 -4.77 -1.26 -2.36 116.67 120.55 2joq s ASP 20 Ca 0.25 0.47 0.00 0.00 -3.30 0.00 0.00 52.55 49.98 2joq s ASP 20 Cb -0.15 -2.10 0.04 0.00 -1.09 0.00 0.00 42.92 39.62 2joq s ASP 20 CO 0.11 0.33 -0.09 -0.31 0.70 0.00 0.00 175.17 175.91 2joq s TYR 21 N -0.66 2.18 -0.48 2.11 1.51 0.87 -4.57 117.35 118.31 2joq s TYR 21 Ca 0.15 -1.39 -0.29 0.00 -1.01 0.00 0.00 57.07 54.53 2joq s TYR 21 Cb -0.12 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.21 2joq s TYR 21 CO 0.04 -0.70 1.19 0.50 -1.11 0.00 0.00 175.55 175.47 2joq s ARG 22 N 1.48 3.68 -0.40 -0.62 6.06 0.54 -0.59 118.95 129.09 2joq s ARG 22 Ca 0.00 0.60 -0.06 0.00 -2.50 0.00 0.00 55.73 53.77 2joq s ARG 22 Cb -0.15 -3.94 0.09 0.00 0.06 0.00 0.00 34.95 31.01 2joq s ARG 22 CO -0.08 -1.44 0.21 0.08 -2.50 0.00 0.00 175.30 171.56 2joq s VAL 23 N 4.68 3.74 -0.39 7.11 1.01 -0.06 -1.17 120.40 135.32 2joq s VAL 23 Ca 0.50 -1.64 -0.15 0.00 0.00 0.00 0.00 61.98 60.69 2joq s VAL 23 Cb -0.08 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.94 2joq s VAL 23 CO 0.32 -0.53 0.30 -0.63 0.00 0.00 0.00 175.10 174.55 2joq s ILE 24 N 1.30 5.25 0.27 2.22 1.01 0.12 -0.16 121.20 131.21 2joq s ILE 24 Ca 0.04 -0.51 0.11 0.00 0.00 0.00 0.00 60.65 60.28 2joq s ILE 24 Cb -0.23 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 2joq s ILE 24 CO -0.01 -0.24 -0.17 -0.04 0.00 0.00 0.00 174.94 174.48 2joq s MET 25 N 1.74 1.60 -0.31 2.79 -1.94 -0.81 -1.21 119.30 121.15 2joq s MET 25 Ca 0.06 -1.74 0.04 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 0.10 0.27 1.64 0.25 -0.01 0.00 0.00 175.02 177.27 2joq n THR 26 N -0.57 2.54 -3.75 2.05 -2.24 -0.40 -0.50 114.28 111.41 2joq n THR 26 Ca -0.06 -1.35 -0.13 0.00 -2.27 0.00 0.00 64.05 60.24 2joq n THR 26 Cb 0.61 -0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.38 0.02 -0.87 4.28 -1.32 -1.26 -4.95 115.64 109.16 2joq s THR 27 Ca 0.41 -0.16 0.25 0.00 -1.21 0.00 0.00 61.69 60.98 2joq s THR 27 Cb 0.34 -0.54 0.04 0.00 -1.51 0.00 0.00 72.50 70.83 2joq s THR 27 CO 0.08 -0.09 1.43 0.29 -2.21 0.00 0.00 174.62 174.12 2joq n LYS 28 N 2.31 0.10 -2.54 7.08 5.02 -1.26 -4.67 118.16 124.21 2joq n LYS 28 Ca -0.16 0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.73 2joq n LYS 28 Cb 0.57 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.71 4.88 -4.50 4.39 2.03 -1.26 -4.92 116.55 115.46 2joq n ASP 29 Ca 0.05 -2.92 -0.43 0.00 0.52 0.00 0.00 54.79 52.01 2joq n ASP 29 Cb 0.37 -1.74 -0.06 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 4.12 4.67 0.05 5.18 -1.32 -1.26 -4.81 115.64 122.27 2joq s THR 30 Ca 0.53 0.06 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 2joq s THR 30 Cb 0.04 -4.36 0.00 0.00 -1.51 0.00 0.00 72.50 66.68 2joq s THR 30 CO 0.07 -0.83 0.00 -1.54 -2.21 0.00 0.00 174.62 170.10 2joq n SER 31 N 6.69 0.26 -0.17 8.08 3.41 -1.26 -4.72 113.62 125.91 2joq n SER 31 Ca -0.01 0.07 0.19 0.00 -0.26 0.00 0.00 58.87 58.87 2joq n SER 31 Cb 0.47 -0.05 0.56 0.00 -0.26 0.00 0.00 64.21 64.93 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 0.71 -0.70 6.66 2.02 -1.98 0.18 112.91 119.79 2joq h THR 32 Ca 0.00 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.10 2joq h THR 32 Cb 0.00 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 66.75 2joq h THR 32 CO 0.00 0.05 0.45 0.25 0.37 0.00 0.00 175.52 176.64 2joq h LEU 33 N 0.30 0.74 -0.02 2.58 5.85 -1.94 -0.08 115.31 122.73 2joq h LEU 33 Ca 0.40 -0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.90 2joq h LEU 33 Cb 1.12 -0.16 0.02 0.00 0.37 0.00 0.00 40.66 42.00 2joq h LEU 33 CO -0.11 0.52 -0.83 0.11 -0.34 0.00 0.00 178.44 177.79 2joq h LYS 34 N 0.88 0.60 -0.39 1.25 1.57 -1.03 -3.22 116.57 116.23 2joq h LYS 34 Ca 0.28 -0.61 0.05 0.00 -1.87 0.00 0.00 60.65 58.49 2joq h LYS 34 Cb -0.00 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2joq h LYS 34 CO -0.10 1.23 0.13 0.93 -0.57 0.00 0.00 179.45 181.06 2joq h GLU 35 N 0.21 0.27 -0.18 3.15 4.39 -0.67 -0.82 114.58 120.94 2joq h GLU 35 Ca -0.10 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2joq h GLU 35 Cb 1.50 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.08 2joq h GLU 35 CO 0.16 0.18 -0.03 1.37 -1.16 0.00 0.00 179.01 179.53 2joq h LEU 36 N 0.28 0.24 -0.40 1.33 8.10 -1.11 -1.44 115.31 122.30 2joq h LEU 36 Ca 0.18 -0.03 -0.14 0.00 0.11 0.00 0.00 57.88 58.00 2joq h LEU 36 Cb 0.17 -0.06 -0.01 0.00 -0.44 0.00 0.00 40.66 40.32 2joq h LEU 36 CO -0.19 0.31 -0.28 -0.07 -4.11 0.00 0.00 178.44 174.10 2joq h LEU 37 N 0.25 0.94 -1.57 0.17 3.38 -1.30 -3.01 115.31 114.19 2joq h LEU 37 Ca 0.06 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2joq h LEU 37 Cb 0.22 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2joq h LEU 37 CO 0.01 1.17 0.00 -0.33 0.09 0.00 0.00 178.44 179.38 2joq h GLU 38 N 0.72 0.00 0.00 1.13 5.08 -0.16 -2.48 114.58 118.87 2joq h GLU 38 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2joq h GLU 38 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2joq h GLU 38 CO 0.08 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.88 2joq h THR 39 N 0.00 0.00 -0.00 1.13 1.35 -1.23 0.31 112.91 114.47 2joq h THR 39 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2joq h THR 39 Cb 0.47 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 2joq h THR 39 CO 0.00 0.00 -0.44 -1.22 -0.25 0.00 0.00 175.52 173.61 2joq n TYR 40 N -2.79 0.00 -0.43 4.73 4.01 -0.93 -4.94 117.16 116.81 2joq n TYR 40 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 2joq n TYR 40 Cb 0.15 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 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 -0.98 0.00 -3.16 -0.72 1.13 0.11 -4.96 117.38 108.80 2joq n GLN 41 Ca 0.09 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.84 2joq n GLN 41 Cb 0.35 -3.76 -0.04 0.00 0.11 0.00 0.00 30.24 26.90 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 -0.49 3.81 0.79 -1.09 1.70 -1.26 -5.04 118.95 117.37 2joq s ARG 42 Ca 0.00 0.38 -0.10 0.00 -0.47 0.00 0.00 55.73 55.54 2joq s ARG 42 Cb 0.00 -2.52 0.07 0.00 -0.57 0.00 0.00 34.95 31.93 2joq s ARG 42 CO 0.00 0.15 1.10 -1.25 -1.08 0.00 0.00 175.30 174.22 2joq s PRO 43 N -3.31 2.09 0.13 3.89 0.04 -1.26 -4.72 135.00 131.86 2joq s PRO 43 Ca 0.50 1.21 -0.16 0.00 0.04 0.00 0.00 61.00 62.59 2joq s PRO 43 Cb -0.11 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.59 2joq s PRO 43 CO 0.25 -1.77 0.40 -0.59 0.04 0.00 0.00 177.00 175.33 2joq s PHE 44 N -2.87 -0.19 -0.27 0.56 -0.71 -1.26 -4.20 117.98 109.04 2joq s PHE 44 Ca 0.62 -0.13 0.01 0.00 -1.04 0.00 0.00 56.93 56.38 2joq s PHE 44 Cb -0.18 0.26 0.05 0.00 -1.21 0.00 0.00 43.02 41.94 2joq s PHE 44 CO 0.56 -0.71 -0.07 0.21 -1.34 0.00 0.00 175.22 173.87 2joq s LYS 45 N -3.81 2.45 -0.28 1.99 2.20 0.37 -4.99 119.74 117.66 2joq s LYS 45 Ca 0.03 -1.23 -0.23 0.00 -0.36 0.00 0.00 55.97 54.19 2joq s LYS 45 Cb 0.02 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.35 2joq s LYS 45 CO -0.11 -0.54 0.74 -1.17 -0.36 0.00 0.00 175.35 173.91 2joq s LEU 46 N 1.20 4.09 -0.15 5.43 2.96 -1.26 -1.93 118.68 129.02 2joq s LEU 46 Ca -0.05 0.71 0.02 0.00 -0.22 0.00 0.00 54.13 54.59 2joq s LEU 46 Cb -0.19 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.50 2joq s LEU 46 CO -0.04 -0.53 -0.21 -1.61 -1.32 0.00 0.00 176.35 172.64 2joq s GLU 47 N 2.79 2.95 -0.41 1.98 0.41 0.08 -5.00 118.70 121.51 2joq s GLU 47 Ca 0.31 -0.83 -0.13 0.00 -0.41 0.00 0.00 54.97 53.91 2joq s GLU 47 Cb -0.15 -2.42 0.04 0.00 -1.78 0.00 0.00 34.13 29.83 2joq s GLU 47 CO 0.11 -0.06 0.28 0.12 -0.49 0.00 0.00 175.26 175.22 2joq s PHE 48 N 0.93 3.26 -0.03 1.61 5.36 -1.26 0.40 117.98 128.24 2joq s PHE 48 Ca -0.05 -0.95 -0.01 0.00 -0.96 0.00 0.00 56.93 54.96 2joq s PHE 48 Cb -0.15 -2.73 -0.00 0.00 -0.34 0.00 0.00 43.02 39.80 2joq s PHE 48 CO -0.04 -0.70 -0.03 0.87 -1.46 0.00 0.00 175.22 173.86 2joq h LYS 49 N 8.56 0.00 -2.96 10.12 1.79 -1.55 -3.50 116.57 129.03 2joq h LYS 49 Ca -0.26 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.07 2joq h LYS 49 Cb 1.11 0.00 -0.24 0.00 -1.58 0.00 0.00 32.23 31.52 2joq h LYS 49 CO 0.75 0.00 -0.32 1.21 -1.08 0.00 0.00 179.45 180.01 2joq s ASN 50 N -3.88 -0.31 -0.02 0.86 2.47 -1.22 -5.03 114.94 107.82 2joq s ASN 50 Ca -0.02 0.53 -0.03 0.00 0.42 0.00 0.00 52.86 53.76 2joq s ASN 50 Cb 0.00 0.59 -0.04 0.00 -1.45 0.00 0.00 41.25 40.36 2joq s ASN 50 CO 0.03 -0.19 0.16 0.28 -3.72 0.00 0.00 177.10 173.67 2joq s THR 51 N -0.17 5.34 0.87 -5.21 -1.32 -1.26 -1.02 115.64 112.86 2joq s THR 51 Ca -0.03 -0.17 -0.12 0.00 -1.21 0.00 0.00 61.69 60.16 2joq s THR 51 Cb -0.03 -3.47 0.08 0.00 -1.51 0.00 0.00 72.50 67.56 2joq s THR 51 CO 0.01 0.35 0.89 -1.20 -2.21 0.00 0.00 174.62 172.47 2joq n SER 52 N 1.06 -0.29 -0.34 8.08 7.64 -0.00 -4.82 113.62 124.94 2joq n SER 52 Ca -0.12 0.47 0.07 0.00 1.01 0.00 0.00 58.87 60.30 2joq n SER 52 Cb 0.53 -1.38 0.26 0.00 -1.01 0.00 0.00 64.21 62.60 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 -1.33 0.94 -0.65 1.43 3.64 -1.99 0.17 116.57 118.78 2joq h LYS 53 Ca -0.44 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 2joq h LYS 53 Cb 1.29 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2joq h LYS 53 CO 0.41 0.62 0.00 -1.71 -2.27 0.00 0.00 179.45 176.50 2joq n ASN 54 N -4.59 4.90 -1.18 4.20 5.15 -1.26 -4.92 115.26 117.56 2joq n ASN 54 Ca 0.18 -2.52 -0.15 0.00 -0.60 0.00 0.00 54.58 51.48 2joq n ASN 54 Cb 0.35 -0.60 -0.07 0.00 -0.53 0.00 0.00 39.78 38.93 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 1.05 -0.23 -0.01 5.20 0.00 0.59 -4.87 120.51 122.23 2joq n ALA 55 Ca 0.26 0.25 -0.13 0.00 0.00 0.00 0.00 53.44 53.82 2joq n ALA 55 Cb 0.94 -1.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.46 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 0.02 0.04 -6.49 0.00 1.63 -1.92 -3.45 116.57 106.40 2joq h LYS 56 Ca -0.32 -0.02 -0.64 0.00 -0.85 0.00 0.00 60.65 58.82 2joq h LYS 56 Cb 1.20 -0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.68 2joq h LYS 56 CO 0.46 0.41 -0.72 -0.06 -3.45 0.00 0.00 179.45 176.09 2joq s PHE 57 N -4.69 2.74 -0.17 1.91 0.08 -1.26 -4.60 117.98 111.98 2joq s PHE 57 Ca -0.15 -0.16 0.00 0.00 0.12 0.00 0.00 56.93 56.74 2joq s PHE 57 Cb 0.03 -1.39 0.03 0.00 -0.57 0.00 0.00 43.02 41.12 2joq s PHE 57 CO 0.68 0.46 -0.11 0.71 -0.10 0.00 0.00 175.22 176.87 2joq s TYR 58 N -1.42 2.17 -0.40 0.36 2.02 0.35 -0.82 117.35 119.60 2joq s TYR 58 Ca 0.23 -1.34 -0.21 0.00 -0.37 0.00 0.00 57.07 55.38 2joq s TYR 58 Cb -0.10 -1.56 0.01 0.00 -0.40 0.00 0.00 41.96 39.92 2joq s TYR 58 CO 0.15 -0.69 0.68 -1.12 -1.57 0.00 0.00 175.55 173.01 2joq s SER 59 N 1.48 6.40 0.34 2.29 0.01 -0.19 -1.93 113.70 122.10 2joq s SER 59 Ca 0.02 -0.04 0.07 0.00 1.31 0.00 0.00 55.95 57.31 2joq s SER 59 Cb -0.15 -2.34 -0.02 0.00 0.21 0.00 0.00 66.02 63.72 2joq s SER 59 CO -0.09 -0.73 0.31 -0.36 0.41 0.00 0.00 173.24 172.79 2joq s PHE 60 N 2.89 2.91 -0.07 2.43 0.40 0.78 -1.33 117.98 125.99 2joq s PHE 60 Ca 0.26 -0.31 -0.03 0.00 -0.60 0.00 0.00 56.93 56.25 2joq s PHE 60 Cb -0.14 -1.84 0.04 0.00 0.51 0.00 0.00 43.02 41.59 2joq s PHE 60 CO 0.18 0.15 0.14 1.21 0.70 0.00 0.00 175.22 177.59 2joq s ASN 61 N -4.02 0.62 -0.25 1.36 2.47 0.16 -0.88 114.94 114.40 2joq s ASN 61 Ca 0.42 0.28 -0.07 0.00 0.42 0.00 0.00 52.86 53.91 2joq s ASN 61 Cb -0.06 0.18 -0.02 0.00 -1.45 0.00 0.00 41.25 39.90 2joq s ASN 61 CO 0.27 -0.22 0.06 -0.69 -3.72 0.00 0.00 177.10 172.79 2joq s VAL 62 N 2.01 4.14 -0.29 -5.21 1.01 0.24 -0.74 120.40 121.57 2joq s VAL 62 Ca 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 2joq s VAL 62 Cb -0.12 -2.96 0.05 0.00 0.00 0.00 0.00 36.38 33.35 2joq s VAL 62 CO -0.05 0.32 -0.03 -0.44 0.00 0.00 0.00 175.10 174.90 2joq s SER 63 N 1.58 4.73 0.06 3.32 0.01 -0.81 -0.09 113.70 122.50 2joq s SER 63 Ca 0.06 -1.22 -0.04 0.00 1.31 0.00 0.00 55.95 56.05 2joq s SER 63 Cb -0.15 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.38 2joq s SER 63 CO 0.03 -0.23 0.07 0.00 0.41 0.00 0.00 173.24 173.51 2joq s MET 64 N 1.24 0.69 0.25 12.44 0.23 -0.99 -0.48 119.30 132.67 2joq s MET 64 Ca -0.05 -1.05 -0.30 0.00 -1.03 0.00 0.00 55.69 53.26 2joq s MET 64 Cb -0.19 0.26 -0.09 0.00 -1.53 0.00 0.00 34.83 33.28 2joq s MET 64 CO -0.02 -0.17 1.05 -1.21 -2.03 0.00 0.00 175.02 172.64 2joq s GLU 65 N -3.68 4.69 -0.11 3.16 2.02 -1.26 -0.05 118.70 123.47 2joq s GLU 65 Ca 0.04 1.70 0.03 0.00 0.02 0.00 0.00 54.97 56.76 2joq s GLU 65 Cb 0.05 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 31.06 2joq s GLU 65 CO -0.10 0.27 -0.20 0.14 0.02 0.00 0.00 175.26 175.39 2joq s VAL 66 N -0.98 1.86 0.07 2.63 -7.23 0.02 -4.87 120.40 111.89 2joq s VAL 66 Ca 0.44 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.79 2joq s VAL 66 Cb -0.30 -1.64 -0.23 0.00 0.56 0.00 0.00 36.38 34.77 2joq s VAL 66 CO 0.37 0.51 1.11 -1.28 -0.31 0.00 0.00 175.10 175.50 2joq h SER 67 N 7.11 0.10 -5.41 4.85 0.87 -1.95 -2.34 113.55 116.78 2joq h SER 67 Ca -0.28 -0.12 -0.21 0.00 -1.23 0.00 0.00 61.79 59.96 2joq h SER 67 Cb 1.20 -0.03 -0.07 0.00 -0.44 0.00 0.00 62.40 63.06 2joq h SER 67 CO 0.51 1.10 -0.13 0.54 -0.53 0.00 0.00 176.83 178.32 2joq s ASN 68 N -6.69 0.63 0.15 6.23 2.20 -1.26 -4.20 114.94 112.00 2joq s ASN 68 Ca -0.02 -1.35 -0.16 0.00 -0.94 0.00 0.00 52.86 50.39 2joq s ASN 68 Cb 0.09 0.67 0.02 0.00 -2.00 0.00 0.00 41.25 40.03 2joq s ASN 68 CO 0.83 -1.32 1.79 -0.08 -2.94 0.00 0.00 177.10 175.38 2joq h GLU 69 N 2.13 0.59 -0.90 3.55 4.57 -2.01 -3.04 114.58 119.46 2joq h GLU 69 Ca -0.29 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 57.89 2joq h GLU 69 Cb 1.24 -0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 29.65 2joq h GLU 69 CO 0.39 0.43 0.57 0.77 -1.18 0.00 0.00 179.01 179.99 2joq h SER 70 N 0.58 0.93 0.19 1.04 0.02 -2.00 -2.79 113.55 111.52 2joq h SER 70 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2joq h SER 70 Cb -0.01 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.34 2joq h SER 70 CO -0.03 0.61 -0.09 -0.33 -1.14 0.00 0.00 176.83 175.85 2joq h GLU 71 N 1.08 -0.24 -0.68 3.45 5.08 -1.96 -0.48 114.58 120.82 2joq h GLU 71 Ca 0.38 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.85 2joq h GLU 71 Cb 0.09 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2joq h GLU 71 CO -0.15 0.02 0.45 0.07 -1.00 0.00 0.00 179.01 178.40 2joq h ARG 72 N -0.49 0.54 0.19 2.33 0.11 -1.45 0.26 114.38 115.86 2joq h ARG 72 Ca -0.03 -0.03 -0.32 0.00 0.10 0.00 0.00 59.98 59.70 2joq h ARG 72 Cb 0.37 -0.12 0.02 0.00 1.11 0.00 0.00 29.97 31.35 2joq h ARG 72 CO 0.04 0.35 -1.47 -0.91 0.10 0.00 0.00 179.97 178.09 2joq h ASN 73 N 0.55 0.62 -0.25 0.08 2.35 -1.47 -2.88 115.58 114.57 2joq h ASN 73 Ca 0.31 -0.72 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 2joq h ASN 73 Cb 0.49 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2joq h ASN 73 CO -0.10 1.58 0.12 -0.08 -1.65 0.00 0.00 177.43 177.30 2joq h GLU 74 N 0.11 0.36 -0.93 0.81 4.81 0.36 -1.61 114.58 118.49 2joq h GLU 74 Ca -0.24 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2joq h GLU 74 Cb 2.08 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 31.35 2joq h GLU 74 CO 0.22 0.35 0.61 0.82 -0.73 0.00 0.00 179.01 180.29 2joq h ILE 75 N 0.27 1.20 -0.62 2.32 2.04 -0.66 0.17 117.51 122.23 2joq h ILE 75 Ca 0.09 -0.42 0.05 0.00 1.00 0.00 0.00 64.86 65.58 2joq h ILE 75 Cb 0.11 -0.13 -0.05 0.00 -0.74 0.00 0.00 36.82 36.01 2joq h ILE 75 CO -0.01 0.22 0.34 0.15 0.00 0.00 0.00 178.15 178.85 2joq h PHE 76 N 1.22 0.63 -0.46 1.37 3.57 -1.25 -0.18 116.94 121.84 2joq h PHE 76 Ca 0.35 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.82 2joq h PHE 76 Cb -0.08 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 2joq h PHE 76 CO -0.01 0.30 0.05 1.96 -2.23 0.00 0.00 178.31 178.38 2joq h GLN 77 N 0.64 0.78 -0.59 1.11 4.20 -0.28 -2.66 115.11 118.31 2joq h GLN 77 Ca 0.28 -0.22 0.07 0.00 0.06 0.00 0.00 58.65 58.83 2joq h GLN 77 Cb 0.16 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.80 2joq h GLN 77 CO -0.17 0.81 0.27 0.87 -0.67 0.00 0.00 178.83 179.94 2joq h LYS 78 N 0.64 0.48 0.00 1.46 1.79 -0.05 -0.31 116.57 120.58 2joq h LYS 78 Ca 0.14 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 2joq h LYS 78 Cb 0.43 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2joq h LYS 78 CO 0.01 0.32 -0.10 0.82 -1.08 0.00 0.00 179.45 179.42 2joq h ILE 79 N 0.50 0.95 0.00 1.86 2.04 -0.88 -0.56 117.51 121.42 2joq h ILE 79 Ca 0.28 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.77 2joq h ILE 79 Cb 0.26 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2joq h ILE 79 CO -0.23 0.10 0.00 -1.28 0.00 0.00 0.00 178.15 176.74 2joq h SER 80 N 0.00 0.00 0.03 1.72 0.87 -0.72 -3.23 113.55 112.22 2joq h SER 80 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2joq h SER 80 Cb 0.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2joq h SER 80 CO 0.01 0.00 -0.02 0.00 -0.53 0.00 0.00 176.83 176.30 2joq n GLN 81 N -2.67 1.30 0.18 2.24 6.02 -0.22 -3.75 117.38 120.49 2joq n GLN 81 Ca 0.04 -0.52 0.14 0.00 -0.01 0.00 0.00 57.00 56.64 2joq n GLN 81 Cb 0.41 -1.49 0.47 0.00 1.02 0.00 0.00 30.24 30.66 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 1.27 0.00 0.00 1.08 3.38 -1.65 -3.46 115.31 115.93 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 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2joq h LEU 82 CO 0.00 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.86 2joq n ASP 83 N -2.64 0.00 -0.31 -0.43 2.03 -1.25 -4.65 116.55 109.31 2joq n ASP 83 Ca 0.03 0.00 0.13 0.00 0.52 0.00 0.00 54.79 55.47 2joq n ASP 83 Cb 0.35 -0.04 0.46 0.00 -0.72 0.00 0.00 41.12 41.17 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 -0.43 1.10 -3.35 -0.67 5.02 -1.26 -4.89 118.16 113.67 2joq n LYS 84 Ca 0.00 -0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 55.34 2joq n LYS 84 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.47 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 -2.33 4.86 0.00 -0.18 0.11 -1.26 -1.27 120.40 120.33 2joq s VAL 85 Ca 0.30 0.73 0.00 0.00 -2.93 0.00 0.00 61.98 60.08 2joq s VAL 85 Cb 0.20 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.36 2joq s VAL 85 CO 0.45 0.10 0.00 1.33 -3.33 0.00 0.00 175.10 173.65 2joq n VAL 86 N 0.39 0.00 -3.63 2.04 0.24 -0.35 -4.93 118.33 112.08 2joq n VAL 86 Ca -0.03 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.15 2joq n VAL 86 Cb 0.52 0.04 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 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 -1.80 0.80 -0.11 7.34 2.00 -1.11 -5.05 119.66 121.73 2joq s GLN 87 Ca 0.00 1.03 -0.03 0.00 -2.00 0.00 0.00 55.36 54.36 2joq s GLN 87 Cb 0.00 0.35 0.05 0.00 0.80 0.00 0.00 33.01 34.21 2joq s GLN 87 CO 0.00 -0.11 0.11 0.95 -0.50 0.00 0.00 175.29 175.74 2joq s THR 88 N 0.64 -0.16 -0.30 -0.34 -4.23 -1.26 -0.70 115.64 109.28 2joq s THR 88 Ca -0.02 0.17 -0.09 0.00 -1.18 0.00 0.00 61.69 60.56 2joq s THR 88 Cb -0.05 -0.38 -0.01 0.00 1.34 0.00 0.00 72.50 73.40 2joq s THR 88 CO -0.04 -0.01 0.14 -0.76 -0.54 0.00 0.00 174.62 173.41 2joq s LEU 89 N 2.21 4.01 -0.25 4.79 1.02 -0.31 -4.91 118.68 125.23 2joq s LEU 89 Ca 0.04 -0.46 0.12 0.00 0.02 0.00 0.00 54.13 53.84 2joq s LEU 89 Cb -0.14 -1.99 0.34 0.00 0.02 0.00 0.00 46.19 44.42 2joq s LEU 89 CO -0.07 -0.17 1.37 0.61 0.02 0.00 0.00 176.35 178.12 2joq n GLY 90 N 4.97 1.66 0.85 -3.19 0.00 -1.26 -0.34 105.19 107.89 2joq n GLY 90 Ca -0.14 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.74 2joq n GLY 90 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76