#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qck n THR 2 N 0.00 -1.79 -2.04 2.03 -2.24 -1.26 -4.92 114.28 104.06 1qck n THR 2 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1qck n THR 2 Cb 0.00 -2.87 0.02 0.00 -2.10 0.00 0.00 70.33 65.38 1qck n THR 2 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qck s THR 3 N -3.14 4.49 0.90 4.28 -4.23 -1.26 -5.06 115.64 111.61 1qck s THR 3 Ca 0.45 0.64 -0.14 0.00 -1.18 0.00 0.00 61.69 61.46 1qck s THR 3 Cb -0.22 -3.78 0.14 0.00 1.34 0.00 0.00 72.50 69.99 1qck s THR 3 CO 0.55 -0.97 1.22 -0.55 -0.54 0.00 0.00 174.62 174.33 1qck s SER 4 N -4.20 3.63 0.60 3.99 0.15 -1.26 -4.90 113.70 111.71 1qck s SER 4 Ca 0.54 0.61 0.31 0.00 0.70 0.00 0.00 55.95 58.12 1qck s SER 4 Cb -0.11 -0.94 1.89 0.00 -1.71 0.00 0.00 66.02 65.15 1qck s SER 4 CO 0.51 -2.44 2.27 -0.61 1.20 0.00 0.00 173.24 174.17 1qck h GLN 5 N -1.43 0.00 -0.54 5.44 4.15 -2.01 -1.56 115.11 119.16 1qck h GLN 5 Ca -0.46 0.00 0.01 0.00 0.77 0.00 0.00 58.65 58.97 1qck h GLN 5 Cb 1.29 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.96 1qck h GLN 5 CO 0.53 0.00 0.36 0.87 -1.93 0.00 0.00 178.83 178.66 1qck h LYS 6 N 0.00 0.70 -0.09 1.69 6.56 -1.96 -0.81 116.57 122.66 1qck h LYS 6 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 1qck h LYS 6 Cb 0.01 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.51 1qck h LYS 6 CO -0.00 0.47 0.06 1.25 -2.06 0.00 0.00 179.45 179.17 1qck h HIS 7 N 0.72 0.12 -0.07 -1.35 -0.00 -1.63 0.45 115.15 113.39 1qck h HIS 7 Ca 0.20 0.00 -0.12 0.00 -0.00 0.00 0.00 60.37 60.46 1qck h HIS 7 Cb -0.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.29 1qck h HIS 7 CO -0.00 0.08 -0.48 0.00 -0.00 0.00 0.00 177.93 177.52 1qck h ARG 8 N 0.12 0.18 -0.46 5.26 3.08 -1.57 -2.93 114.38 118.06 1qck h ARG 8 Ca 0.03 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 1qck h ARG 8 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1qck h ARG 8 CO -0.01 0.63 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.81 1qck h ASP 9 N 0.14 1.03 -0.15 7.04 3.32 -0.72 -2.00 116.42 125.08 1qck h ASP 9 Ca 0.01 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1qck h ASP 9 Cb 0.91 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1qck h ASP 9 CO 0.07 1.22 0.07 0.15 -1.72 0.00 0.00 179.24 179.03 1qck h PHE 10 N 0.84 0.22 -0.11 4.55 3.57 -0.79 -2.12 116.94 123.09 1qck h PHE 10 Ca 0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1qck h PHE 10 Cb 0.85 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1qck h PHE 10 CO 0.06 0.26 0.00 1.33 -2.23 0.00 0.00 178.31 177.73 1qck n VAL 11 N -4.90 0.15 0.43 1.41 0.24 -1.12 -3.24 118.33 111.31 1qck n VAL 11 Ca -0.05 -0.15 0.08 0.00 -2.04 0.00 0.00 64.34 62.18 1qck n VAL 11 Cb 0.10 0.06 -0.11 0.00 -1.47 0.00 0.00 33.84 32.42 1qck n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qck n ALA 12 N -0.17 3.48 -3.27 2.33 0.00 -0.76 -4.95 120.51 117.17 1qck n ALA 12 Ca 0.04 -0.44 -0.14 0.00 0.00 0.00 0.00 53.44 52.90 1qck n ALA 12 Cb 0.10 -0.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1qck n ALA 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qck s GLU 13 N -2.81 0.91 1.00 0.00 -1.05 -1.13 -5.07 118.70 110.56 1qck s GLU 13 Ca 0.01 -0.18 -0.19 0.00 -0.15 0.00 0.00 54.97 54.45 1qck s GLU 13 Cb 0.12 0.41 -0.16 0.00 -0.44 0.00 0.00 34.13 34.06 1qck s GLU 13 CO 0.68 -0.30 -0.96 -2.30 0.95 0.00 0.00 175.26 173.34 1qck n PRO 14 N 0.73 -0.01 0.06 -4.83 -0.02 -1.26 -4.78 135.00 124.90 1qck n PRO 14 Ca -0.19 -0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.37 1qck n PRO 14 Cb 0.58 -1.01 -0.06 0.00 -0.02 0.00 0.00 33.50 33.00 1qck n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qck n MET 15 N 2.45 0.62 0.00 -0.52 0.00 -1.26 -5.00 117.12 113.41 1qck n MET 15 Ca -0.02 0.07 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1qck n MET 15 Cb 0.60 -1.75 0.00 0.00 0.00 0.00 0.00 33.22 32.07 1qck n MET 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qck n GLY 16 N 1.26 2.10 1.80 3.17 0.00 -1.26 -2.31 105.19 109.95 1qck n GLY 16 Ca -0.04 -0.32 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 1qck n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qck n GLU 17 N 14.00 2.13 -1.73 1.61 1.02 -1.26 -4.81 120.64 131.60 1qck n GLU 17 Ca 0.00 -3.13 -0.37 0.00 -0.02 0.00 0.00 57.16 53.63 1qck n GLU 17 Cb 0.00 -2.04 0.06 0.00 -0.02 0.00 0.00 31.44 29.44 1qck n GLU 17 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qck n LYS 18 N -1.12 1.24 -1.11 3.49 4.76 -0.98 -4.91 118.16 119.54 1qck n LYS 18 Ca 0.49 0.48 -0.32 0.00 -2.87 0.00 0.00 58.31 56.09 1qck n LYS 18 Cb 1.34 -2.55 0.12 0.00 -1.84 0.00 0.00 35.03 32.10 1qck n LYS 18 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1qck s PRO 19 N -3.28 1.81 0.18 1.97 0.04 -1.26 -3.15 135.00 131.31 1qck s PRO 19 Ca 0.81 1.42 -0.13 0.00 0.04 0.00 0.00 61.00 63.13 1qck s PRO 19 Cb -0.39 -1.83 0.14 0.00 0.04 0.00 0.00 34.50 32.47 1qck s PRO 19 CO 0.42 -2.02 1.79 -0.24 0.04 0.00 0.00 177.00 176.99 1qck h VAL 20 N -1.20 0.96 0.00 -0.36 3.04 -1.79 -0.77 116.25 116.14 1qck h VAL 20 Ca -0.44 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 1qck h VAL 20 Cb 1.26 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1qck h VAL 20 CO 0.48 0.10 0.03 0.61 -1.01 0.00 0.00 177.57 177.77 1qck n GLY 21 N -1.25 -0.12 0.17 3.17 0.00 -1.26 -0.59 105.19 105.31 1qck n GLY 21 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1qck n GLY 21 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qck h SER 22 N 0.00 0.00 -3.82 1.61 0.02 -1.40 -3.44 113.55 106.51 1qck h SER 22 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1qck h SER 22 Cb 0.06 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.68 1qck h SER 22 CO 0.00 0.21 0.71 -0.76 -1.14 0.00 0.00 176.83 175.86 1qck s LEU 23 N -6.15 4.38 0.27 5.07 1.43 0.25 -4.93 118.68 119.00 1qck s LEU 23 Ca 0.04 2.83 -0.30 0.00 -1.03 0.00 0.00 54.13 55.68 1qck s LEU 23 Cb 0.07 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1qck s LEU 23 CO 0.72 -0.69 1.40 0.00 0.23 0.00 0.00 176.35 178.01 1qck s ALA 24 N -0.95 3.58 0.00 4.21 0.00 -1.26 -2.08 121.76 125.25 1qck s ALA 24 Ca 0.52 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.78 1qck s ALA 24 Cb -0.43 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.16 1qck s ALA 24 CO 0.55 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 176.01 1qck n GLY 25 N 1.79 2.92 3.48 0.00 0.00 -1.26 -3.33 105.19 108.79 1qck n GLY 25 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1qck n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qck s ILE 26 N -2.57 5.24 0.74 -0.61 -1.09 -0.89 -4.84 121.20 117.19 1qck s ILE 26 Ca 0.00 -0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1qck s ILE 26 Cb 0.00 -3.91 0.14 0.00 -1.58 0.00 0.00 42.46 37.11 1qck s ILE 26 CO 0.00 -0.27 1.02 -0.83 -1.23 0.00 0.00 174.94 173.63 1qck s GLY 27 N 1.70 1.76 0.27 6.18 0.00 -1.26 -4.66 107.32 111.31 1qck s GLY 27 Ca 0.06 -1.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.00 1qck s GLY 27 CO 0.11 -1.17 1.87 0.83 0.00 0.00 0.00 173.10 174.73 1qck h GLU 28 N -0.60 1.08 -0.46 2.90 5.08 -1.98 0.13 114.58 120.73 1qck h GLU 28 Ca -0.36 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 57.83 1qck h GLU 28 Cb 1.26 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1qck h GLU 28 CO 0.39 0.72 -0.14 0.28 -1.00 0.00 0.00 179.01 179.25 1qck h VAL 29 N 1.11 1.27 -0.44 3.13 2.07 -2.01 -2.76 116.25 118.63 1qck h VAL 29 Ca 0.46 -1.27 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 1qck h VAL 29 Cb 0.28 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1qck h VAL 29 CO -0.20 0.44 -0.20 -0.07 0.02 0.00 0.00 177.57 177.55 1qck h LEU 30 N 0.74 0.88 -1.01 2.57 3.38 -1.69 -2.93 115.31 117.25 1qck h LEU 30 Ca 0.11 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1qck h LEU 30 Cb 0.69 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 1qck h LEU 30 CO 0.05 1.06 0.67 1.23 0.09 0.00 0.00 178.44 181.53 1qck h GLY 31 N 0.94 1.42 1.42 0.83 0.00 -0.64 -1.66 103.07 105.37 1qck h GLY 31 Ca 0.11 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1qck h GLY 31 CO 0.06 0.52 -0.07 0.50 0.00 0.00 0.00 176.54 177.54 1qck h LYS 32 N 1.37 0.70 0.24 4.80 6.56 -1.32 0.14 116.57 129.05 1qck h LYS 32 Ca 0.37 -0.21 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 1qck h LYS 32 Cb -0.16 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 31.43 1qck h LYS 32 CO -0.08 0.77 -0.11 0.87 -2.06 0.00 0.00 179.45 178.83 1qck h LYS 33 N 0.64 -0.31 -0.99 3.15 1.57 -1.20 0.12 116.57 119.56 1qck h LYS 33 Ca 0.12 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1qck h LYS 33 Cb 0.51 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.84 1qck h LYS 33 CO 0.03 0.03 0.65 -0.07 -0.57 0.00 0.00 179.45 179.52 1qck h LEU 34 N -0.69 1.14 -0.39 2.94 3.38 -1.30 -1.46 115.31 118.93 1qck h LEU 34 Ca -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1qck h LEU 34 Cb 0.48 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1qck h LEU 34 CO 0.05 0.83 0.26 -0.08 0.09 0.00 0.00 178.44 179.59 1qck h GLU 35 N 1.35 0.52 0.00 1.13 4.81 -0.58 0.64 114.58 122.44 1qck h GLU 35 Ca 0.36 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 1qck h GLU 35 Cb -0.15 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.11 1qck h GLU 35 CO -0.08 0.35 0.00 1.49 -0.73 0.00 0.00 179.01 180.04 1qck h GLU 36 N 0.53 0.00 -0.15 1.92 4.57 -0.01 0.28 114.58 121.72 1qck h GLU 36 Ca 0.14 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.32 1qck h GLU 36 Cb -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1qck h GLU 36 CO -0.03 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.34 1qck n ARG 37 N -3.08 1.72 0.00 1.92 5.12 0.05 -4.88 116.66 117.51 1qck n ARG 37 Ca -0.02 -1.08 0.00 0.00 -1.93 0.00 0.00 57.85 54.82 1qck n ARG 37 Cb 0.15 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 1qck n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qck n GLY 38 N 1.14 0.89 3.01 -0.13 0.00 0.08 -5.02 105.19 105.15 1qck n GLY 38 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1qck n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qck n PHE 39 N -1.90 3.65 1.07 1.61 3.01 -0.25 -4.82 117.46 119.83 1qck n PHE 39 Ca 0.00 -3.54 0.14 0.00 1.01 0.00 0.00 57.45 55.06 1qck n PHE 39 Cb 0.00 -1.20 0.63 0.00 -0.01 0.00 0.00 39.48 38.90 1qck n PHE 39 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1qck n ASP 40 N 1.79 0.01 -4.17 4.37 5.75 -1.26 -3.37 116.55 119.66 1qck n ASP 40 Ca 0.25 0.37 -0.16 0.00 -0.01 0.00 0.00 54.79 55.24 1qck n ASP 40 Cb 0.37 -0.45 -0.11 0.00 -1.03 0.00 0.00 41.12 39.90 1qck n ASP 40 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qck s LYS 41 N -2.93 0.83 0.18 0.11 -0.14 -1.26 -3.63 119.74 112.90 1qck s LYS 41 Ca 0.16 -1.06 -0.10 0.00 -1.36 0.00 0.00 55.97 53.62 1qck s LYS 41 Cb 0.19 -0.67 0.09 0.00 -1.68 0.00 0.00 37.83 35.77 1qck s LYS 41 CO 0.52 0.13 1.70 0.00 -0.76 0.00 0.00 175.35 176.94 1qck h ALA 42 N 3.90 0.85 0.00 5.17 0.00 -1.69 -2.54 119.26 124.96 1qck h ALA 42 Ca -0.39 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1qck h ALA 42 Cb 1.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1qck h ALA 42 CO 0.47 0.56 0.07 0.10 0.00 0.00 0.00 179.25 180.44 1qck h TYR 43 N 0.96 0.00 0.01 0.00 -0.00 -1.87 0.18 116.97 116.24 1qck h TYR 43 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.71 1qck h TYR 43 Cb 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.04 1qck h TYR 43 CO 0.03 0.00 -1.07 0.28 -0.00 0.00 0.00 178.16 177.39 1qck h VAL 44 N 0.00 1.64 -0.01 -0.90 2.07 -1.85 -2.88 116.25 114.31 1qck h VAL 44 Ca 0.00 -3.35 -0.25 0.00 0.82 0.00 0.00 66.70 63.92 1qck h VAL 44 Cb 0.14 2.82 0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1qck h VAL 44 CO 0.00 0.94 -1.00 0.58 0.02 0.00 0.00 177.57 178.11 1qck h VAL 45 N 0.01 1.30 -0.93 2.57 2.07 -0.73 -3.03 116.25 117.50 1qck h VAL 45 Ca -0.04 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 65.23 1qck h VAL 45 Cb 1.80 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 33.87 1qck h VAL 45 CO 0.13 0.70 0.61 0.25 0.02 0.00 0.00 177.57 179.28 1qck h LEU 46 N 0.38 1.08 -0.65 2.57 5.85 -1.32 -1.79 115.31 121.42 1qck h LEU 46 Ca -0.11 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.67 1qck h LEU 46 Cb 1.65 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 1qck h LEU 46 CO 0.19 0.79 0.28 1.23 -0.34 0.00 0.00 178.44 180.59 1qck h GLY 47 N 1.27 0.94 1.01 3.75 0.00 -1.39 0.13 103.07 108.77 1qck h GLY 47 Ca 0.34 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.52 1qck h GLY 47 CO -0.07 0.01 0.45 -1.61 0.00 0.00 0.00 176.54 175.32 1qck h GLN 48 N 0.48 0.91 -1.01 4.80 5.75 -1.27 0.17 115.11 124.94 1qck h GLN 48 Ca 0.32 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.78 1qck h GLN 48 Cb 0.38 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.67 1qck h GLN 48 CO -0.29 0.60 0.67 0.35 -2.65 0.00 0.00 178.83 177.50 1qck h PHE 49 N 0.93 1.27 -0.44 3.99 3.57 -0.85 -1.20 116.94 124.21 1qck h PHE 49 Ca 0.25 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.66 1qck h PHE 49 Cb -0.11 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.19 1qck h PHE 49 CO -0.03 0.80 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.58 1qck h LEU 50 N 1.37 0.90 -1.96 0.59 3.38 -0.02 -2.58 115.31 116.99 1qck h LEU 50 Ca 0.37 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1qck h LEU 50 Cb -0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.34 1qck h LEU 50 CO -0.08 1.08 -0.06 0.58 0.09 0.00 0.00 178.44 180.05 1qck h VAL 51 N 0.77 0.24 -0.42 1.22 2.07 0.42 -2.36 116.25 118.20 1qck h VAL 51 Ca 0.10 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1qck h VAL 51 Cb 0.75 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1qck h VAL 51 CO 0.06 0.06 0.00 0.18 0.02 0.00 0.00 177.57 177.89 1qck n LEU 52 N -3.30 3.74 -3.13 2.57 4.77 -0.64 -4.89 117.00 116.12 1qck n LEU 52 Ca -0.01 -1.89 -0.21 0.00 -0.03 0.00 0.00 56.01 53.87 1qck n LEU 52 Cb 0.24 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1qck n LEU 52 CO 0.27 0.55 -0.06 0.29 -1.33 0.00 0.00 177.39 177.11 1qck n LYS 53 N 0.57 -3.31 -1.59 3.23 5.02 -0.89 0.30 118.16 121.49 1qck n LYS 53 Ca 0.18 0.54 -0.20 0.00 -2.02 0.00 0.00 58.31 56.80 1qck n LYS 53 Cb 0.75 -5.24 -0.09 0.00 -0.02 0.00 0.00 35.03 30.44 1qck n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1qck n LYS 54 N -3.55 -1.45 -1.92 1.97 5.02 -1.13 -4.88 118.16 112.21 1qck n LYS 54 Ca -0.05 1.20 -0.43 0.00 -2.02 0.00 0.00 58.31 57.01 1qck n LYS 54 Cb 0.56 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 1qck n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qck s ASP 55 N -2.72 6.18 0.19 4.39 1.01 0.15 -4.86 116.67 121.00 1qck s ASP 55 Ca 0.00 1.86 -0.10 0.00 0.71 0.00 0.00 52.55 55.02 1qck s ASP 55 Cb 0.00 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.51 1qck s ASP 55 CO 0.00 -1.38 1.73 -0.08 0.21 0.00 0.00 175.17 175.65 1qck h GLU 56 N 11.69 1.02 -0.36 8.23 4.81 -1.90 -1.62 114.58 136.46 1qck h GLU 56 Ca -0.38 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 58.48 1qck h GLU 56 Cb 1.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 1qck h GLU 56 CO 0.98 0.87 -0.42 -0.44 -0.73 0.00 0.00 179.01 179.28 1qck h ASP 57 N 0.96 0.98 -0.42 1.04 3.32 -1.99 -1.59 116.42 118.73 1qck h ASP 57 Ca 0.22 -0.46 -0.15 0.00 0.02 0.00 0.00 57.03 56.65 1qck h ASP 57 Cb 0.25 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1qck h ASP 57 CO -0.01 1.26 -0.33 -0.07 -1.72 0.00 0.00 179.24 178.37 1qck h LEU 58 N 0.74 1.01 -0.01 1.55 3.38 -1.92 -1.19 115.31 118.86 1qck h LEU 58 Ca 0.05 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1qck h LEU 58 Cb 1.01 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 1qck h LEU 58 CO 0.10 1.24 0.00 0.15 0.09 0.00 0.00 178.44 180.02 1qck h PHE 59 N 0.80 0.02 -0.34 1.13 3.57 -1.25 0.72 116.94 121.58 1qck h PHE 59 Ca 0.08 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1qck h PHE 59 Cb 0.92 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1qck h PHE 59 CO 0.06 0.20 0.23 0.00 -2.23 0.00 0.00 178.31 176.57 1qck h ARG 60 N -0.17 0.45 -0.59 1.11 3.08 -1.24 0.63 114.38 117.66 1qck h ARG 60 Ca 0.00 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1qck h ARG 60 Cb 0.19 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1qck h ARG 60 CO -0.00 0.30 0.05 0.93 -1.07 0.00 0.00 179.97 180.18 1qck h GLU 61 N 0.46 0.98 -0.22 0.04 5.08 -1.15 -0.19 114.58 119.58 1qck h GLU 61 Ca 0.13 -0.27 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1qck h GLU 61 Cb -0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1qck h GLU 61 CO -0.03 0.93 0.06 2.35 -1.00 0.00 0.00 179.01 181.32 1qck h TRP 62 N 0.91 0.37 -0.16 4.33 7.01 -0.33 0.79 115.95 128.87 1qck h TRP 62 Ca 0.18 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.10 1qck h TRP 62 Cb 0.46 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1qck h TRP 62 CO 0.03 0.44 -0.04 1.25 -2.79 0.00 0.00 178.44 177.33 1qck h LEU 63 N 0.19 0.31 -0.21 0.65 5.85 -0.73 0.19 115.31 121.56 1qck h LEU 63 Ca 0.07 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1qck h LEU 63 Cb 0.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1qck h LEU 63 CO -0.00 0.61 0.10 0.50 -0.34 0.00 0.00 178.44 179.31 1qck h LYS 64 N 0.00 0.30 0.00 1.25 3.64 -1.01 0.12 116.57 120.87 1qck h LYS 64 Ca 0.04 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1qck h LYS 64 Cb 0.48 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1qck h LYS 64 CO 0.02 0.33 -0.41 -0.44 -2.27 0.00 0.00 179.45 176.68 1qck h ASP 65 N 0.20 0.00 0.68 4.20 3.32 -0.84 0.59 116.42 124.58 1qck h ASP 65 Ca 0.07 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.85 1qck h ASP 65 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1qck h ASP 65 CO -0.01 0.41 -1.23 0.74 -1.72 0.00 0.00 179.24 177.43 1qck h THR 66 N 0.00 1.51 0.00 0.35 2.02 -0.18 -3.42 112.91 113.18 1qck h THR 66 Ca -0.00 -3.11 0.00 0.00 0.77 0.00 0.00 66.41 64.07 1qck h THR 66 Cb 0.78 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 70.11 1qck h THR 66 CO 0.05 0.90 -0.39 0.00 0.37 0.00 0.00 175.52 176.46 1qck n GLY 68 N 1.45 1.21 3.48 0.00 0.00 0.21 -5.02 105.19 106.52 1qck n GLY 68 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1qck n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qck n ALA 69 N -1.43 -1.17 -1.96 4.61 0.00 -1.26 -4.93 120.51 114.37 1qck n ALA 69 Ca 0.00 -0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.11 1qck n ALA 69 Cb 0.00 -1.86 0.06 0.00 0.00 0.00 0.00 19.45 17.65 1qck n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qck s ASN 70 N -1.28 4.94 0.38 0.00 0.02 -1.26 -4.62 114.94 113.12 1qck s ASN 70 Ca 0.68 0.06 0.04 0.00 -1.02 0.00 0.00 52.86 52.63 1qck s ASN 70 Cb -0.41 -0.78 0.73 0.00 0.02 0.00 0.00 41.25 40.81 1qck s ASN 70 CO 0.55 -1.43 2.03 0.00 0.02 0.00 0.00 177.10 178.27 1qck h ALA 71 N -0.26 1.61 -0.24 0.60 0.00 -1.99 -1.02 119.26 117.96 1qck h ALA 71 Ca -0.42 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1qck h ALA 71 Cb 1.30 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qck h ALA 71 CO 0.52 0.36 -0.52 0.87 0.00 0.00 0.00 179.25 180.48 1qck h LYS 72 N 0.73 0.77 -0.55 0.00 1.57 -2.00 -2.63 116.57 114.46 1qck h LYS 72 Ca 0.20 -0.51 -0.12 0.00 -1.87 0.00 0.00 60.65 58.35 1qck h LYS 72 Cb -0.08 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1qck h LYS 72 CO -0.04 1.14 -0.11 1.96 -0.57 0.00 0.00 179.45 181.83 1qck h GLN 73 N 0.51 1.05 -0.64 3.15 4.20 -1.79 -2.97 115.11 118.62 1qck h GLN 73 Ca 0.00 -0.39 -0.07 0.00 0.06 0.00 0.00 58.65 58.26 1qck h GLN 73 Cb 1.13 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1qck h GLN 73 CO 0.11 1.08 0.13 0.77 -0.67 0.00 0.00 178.83 180.26 1qck h SER 74 N 0.93 0.97 -0.87 1.46 0.02 -1.21 -2.60 113.55 112.25 1qck h SER 74 Ca 0.14 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1qck h SER 74 Cb 0.68 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1qck h SER 74 CO 0.05 0.95 0.58 0.03 -1.14 0.00 0.00 176.83 177.29 1qck h ARG 75 N 0.97 1.15 -0.47 3.45 2.47 -1.31 -1.28 114.38 119.36 1qck h ARG 75 Ca 0.20 -0.07 -0.14 0.00 -1.26 0.00 0.00 59.98 58.71 1qck h ARG 75 Cb 0.37 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 1qck h ARG 75 CO 0.00 0.76 -0.25 -0.44 0.56 0.00 0.00 179.97 180.60 1qck h ASP 76 N 1.18 1.03 -0.43 7.04 3.32 -1.36 -2.73 116.42 124.46 1qck h ASP 76 Ca 0.32 -0.41 -0.14 0.00 0.02 0.00 0.00 57.03 56.81 1qck h ASP 76 Cb -0.14 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.12 1qck h ASP 76 CO -0.07 1.21 -0.29 0.00 -1.72 0.00 0.00 179.24 178.37 1qck h PHE 78 N 0.80 -1.29 -0.26 0.00 3.57 -1.18 0.27 116.94 118.85 1qck h PHE 78 Ca 0.09 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1qck h PHE 78 Cb 0.88 0.44 -0.01 0.00 2.79 0.00 0.00 35.95 40.04 1qck h PHE 78 CO 0.06 -0.78 0.17 0.78 -2.23 0.00 0.00 178.31 176.32 1qck h GLY 79 N -1.32 0.36 0.55 2.40 0.00 -1.54 0.56 103.07 104.08 1qck h GLY 79 Ca -0.13 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1qck h GLY 79 CO 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 176.54 176.86 1qck h LEU 81 N -0.43 0.97 -0.70 0.00 3.38 -0.09 -2.34 115.31 116.09 1qck h LEU 81 Ca 0.00 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.42 1qck h LEU 81 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1qck h LEU 81 CO 0.00 1.34 0.43 -0.09 0.09 0.00 0.00 178.44 180.21 1qck h ARG 82 N 0.64 0.95 -0.24 1.13 9.65 0.10 -2.11 114.38 124.50 1qck h ARG 82 Ca 0.00 -0.08 -0.14 0.00 -1.10 0.00 0.00 59.98 58.65 1qck h ARG 82 Cb 1.19 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 29.56 1qck h ARG 82 CO 0.13 0.67 -0.45 0.93 2.80 0.00 0.00 179.97 184.05 1qck h GLU 83 N 0.96 0.60 -0.67 0.20 3.07 -0.99 -2.41 114.58 115.34 1qck h GLU 83 Ca 0.25 -0.33 0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1qck h GLU 83 Cb -0.03 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.86 1qck h GLU 83 CO -0.05 0.93 0.44 2.35 -1.40 0.00 0.00 179.01 181.28 1qck h TRP 84 N 0.48 0.84 -0.93 4.33 7.01 -1.04 -1.90 115.95 124.74 1qck h TRP 84 Ca 0.03 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 1qck h TRP 84 Cb 0.97 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.71 1qck h TRP 84 CO 0.04 0.53 0.57 0.00 -2.79 0.00 0.00 178.44 176.79 1qck h ASP 86 N 1.28 0.46 0.26 0.00 3.32 -0.85 2.14 116.42 123.02 1qck h ASP 86 Ca 0.33 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 57.04 1qck h ASP 86 Cb -0.07 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1qck h ASP 86 CO -0.06 0.33 -1.96 0.00 -1.72 0.00 0.00 179.24 175.82 1qck n ALA 87 N -2.48 1.28 0.39 3.45 0.00 -0.77 -4.42 120.51 117.98 1qck n ALA 87 Ca 0.03 -0.81 0.06 0.00 0.00 0.00 0.00 53.44 52.72 1qck n ALA 87 Cb 0.06 -0.64 0.07 0.00 0.00 0.00 0.00 19.45 18.94 1qck n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qck n PHE 88 N -3.18 0.08 -1.17 0.00 3.72 0.13 -5.12 117.46 111.94 1qck n PHE 88 Ca -0.27 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 1qck n PHE 88 Cb 1.06 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60