#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 0.33 -1.17 2.03 -2.24 -1.26 -4.92 114.28 107.04 1qck n THR 2 Ca 0.00 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.06 1qck n THR 2 Cb 0.00 0.39 0.16 0.00 -2.10 0.00 0.00 70.33 68.78 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 -1.67 2.37 1.23 4.28 -4.23 -1.26 -5.00 115.64 111.35 1qck s THR 3 Ca 0.31 0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.76 1qck s THR 3 Cb 0.17 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.67 1qck s THR 3 CO 0.24 -0.16 0.58 -1.54 -0.54 0.00 0.00 174.62 173.20 1qck n SER 4 N -4.04 -3.20 0.30 3.99 3.41 -1.26 -4.77 113.62 108.04 1qck n SER 4 Ca 0.06 -0.51 0.20 0.00 -0.26 0.00 0.00 58.87 58.36 1qck n SER 4 Cb 0.56 -0.95 0.98 0.00 -0.26 0.00 0.00 64.21 64.54 1qck n SER 4 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1qck h GLN 5 N -2.98 0.00 -0.75 4.33 4.20 -1.98 -2.56 115.11 115.37 1qck h GLN 5 Ca -0.40 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.32 1qck h GLN 5 Cb 1.14 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.88 1qck h GLN 5 CO 0.27 0.00 0.50 0.87 -0.67 0.00 0.00 178.83 179.79 1qck h LYS 6 N 0.00 0.99 0.08 1.46 1.57 -1.94 -0.08 116.57 118.65 1qck h LYS 6 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1qck h LYS 6 Cb 0.19 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1qck h LYS 6 CO 0.00 0.66 -0.04 1.25 -0.57 0.00 0.00 179.45 180.75 1qck h HIS 7 N 1.02 -0.10 -0.14 -1.35 2.76 -1.76 0.27 115.15 115.85 1qck h HIS 7 Ca 0.28 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.32 1qck h HIS 7 Cb -0.12 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1qck h HIS 7 CO 0.00 -0.06 -0.47 0.00 -1.30 0.00 0.00 177.93 176.10 1qck h ARG 8 N -0.11 0.35 -0.36 5.26 3.08 -1.65 -2.71 114.38 118.25 1qck h ARG 8 Ca -0.01 -0.19 -0.15 0.00 0.07 0.00 0.00 59.98 59.70 1qck h ARG 8 Cb 0.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1qck h ARG 8 CO 0.01 0.75 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.84 1qck h ASP 9 N 0.28 0.91 -0.19 7.04 3.32 -0.72 -2.04 116.42 125.02 1qck h ASP 9 Ca 0.02 -0.41 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 1qck h ASP 9 Cb 0.93 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1qck h ASP 9 CO 0.08 1.19 0.04 0.15 -1.72 0.00 0.00 179.24 178.98 1qck h PHE 10 N 0.70 0.31 -0.19 4.55 3.57 -0.34 -2.69 116.94 122.86 1qck h PHE 10 Ca 0.06 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1qck h PHE 10 Cb 0.96 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1qck h PHE 10 CO 0.06 0.42 0.00 1.33 -2.23 0.00 0.00 178.31 177.89 1qck n VAL 11 N -4.78 0.31 0.53 1.41 0.24 -1.03 -3.44 118.33 111.57 1qck n VAL 11 Ca -0.04 -0.27 0.07 0.00 -2.04 0.00 0.00 64.34 62.05 1qck n VAL 11 Cb 0.17 0.06 -0.08 0.00 -1.47 0.00 0.00 33.84 32.51 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 0.07 3.57 -3.39 2.33 0.00 -0.77 -4.95 120.51 117.36 1qck n ALA 12 Ca 0.06 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 1qck n ALA 12 Cb 0.20 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 19.09 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 -2.41 0.97 1.00 0.00 -1.05 -1.18 -5.07 118.70 110.95 1qck s GLU 13 Ca 0.03 0.01 -0.19 0.00 -0.15 0.00 0.00 54.97 54.67 1qck s GLU 13 Cb 0.10 0.45 -0.16 0.00 -0.44 0.00 0.00 34.13 34.08 1qck s GLU 13 CO 0.57 -0.31 -0.92 -2.30 0.95 0.00 0.00 175.26 173.24 1qck n PRO 14 N 0.83 0.00 0.10 -4.83 -0.02 -1.26 -4.78 135.00 125.04 1qck n PRO 14 Ca -0.19 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.40 1qck n PRO 14 Cb 0.58 -1.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.05 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 2.49 0.61 0.00 -0.52 0.00 -1.26 -5.00 117.12 113.43 1qck n MET 15 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1qck n MET 15 Cb 0.59 -1.81 0.00 0.00 0.00 0.00 0.00 33.22 32.00 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 1.19 2.17 1.72 3.17 0.00 -1.26 -2.13 105.19 110.05 1qck n GLY 16 Ca -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 3.18 -1.78 1.61 1.02 -1.26 -4.78 120.64 132.63 1qck n GLU 17 Ca 0.00 -3.07 -0.37 0.00 -0.02 0.00 0.00 57.16 53.70 1qck n GLU 17 Cb 0.00 -2.10 0.06 0.00 -0.02 0.00 0.00 31.44 29.38 1qck n GLU 17 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qck s LYS 18 N -3.04 2.80 0.87 3.49 1.02 -0.91 -4.89 119.74 119.08 1qck s LYS 18 Ca 0.52 2.11 -0.11 0.00 0.02 0.00 0.00 55.97 58.51 1qck s LYS 18 Cb 0.42 -2.00 0.12 0.00 -0.52 0.00 0.00 37.83 35.85 1qck s LYS 18 CO 0.10 -1.42 1.16 -1.25 -0.92 0.00 0.00 175.35 173.02 1qck s PRO 19 N -3.20 1.30 0.17 -1.68 0.04 -1.26 -3.32 135.00 127.05 1qck s PRO 19 Ca 0.78 1.58 -0.14 0.00 0.04 0.00 0.00 61.00 63.27 1qck s PRO 19 Cb -0.38 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.48 1qck s PRO 19 CO 0.42 -2.43 1.83 -0.24 0.04 0.00 0.00 177.00 176.62 1qck h VAL 20 N -1.52 1.11 0.00 -0.36 3.04 -1.80 -1.59 116.25 115.13 1qck h VAL 20 Ca -0.44 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 1qck h VAL 20 Cb 1.27 0.37 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1qck h VAL 20 CO 0.44 0.12 0.04 0.61 -1.01 0.00 0.00 177.57 177.77 1qck n GLY 21 N -1.24 -0.11 0.18 3.17 0.00 -1.26 -0.27 105.19 105.65 1qck n GLY 21 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.63 1.61 0.02 -1.55 -3.44 113.55 106.56 1qck h SER 22 Ca 0.00 -0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.41 1qck h SER 22 Cb 0.09 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.69 1qck h SER 22 CO 0.00 0.01 0.70 -0.76 -1.14 0.00 0.00 176.83 175.63 1qck s LEU 23 N -5.73 4.40 0.24 5.07 1.43 0.62 -4.88 118.68 119.84 1qck s LEU 23 Ca 0.06 2.67 -0.30 0.00 -1.03 0.00 0.00 54.13 55.53 1qck s LEU 23 Cb 0.07 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.56 1qck s LEU 23 CO 0.69 -0.62 1.45 0.00 0.23 0.00 0.00 176.35 178.10 1qck s ALA 24 N -0.55 3.64 0.00 4.21 0.00 -1.26 -1.99 121.76 125.81 1qck s ALA 24 Ca 0.54 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1qck s ALA 24 Cb -0.41 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1qck s ALA 24 CO 0.48 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1qck n GLY 25 N 2.28 3.38 3.51 0.00 0.00 -1.26 -3.42 105.19 109.68 1qck n GLY 25 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.72 5.20 0.71 -0.61 -1.09 -0.84 -4.82 121.20 117.03 1qck s ILE 26 Ca 0.00 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.19 1qck s ILE 26 Cb 0.00 -3.86 0.13 0.00 -1.58 0.00 0.00 42.46 37.15 1qck s ILE 26 CO 0.00 -0.18 0.98 -0.83 -1.23 0.00 0.00 174.94 173.67 1qck s GLY 27 N 1.74 1.74 0.26 6.18 0.00 -1.26 -4.65 107.32 111.33 1qck s GLY 27 Ca 0.09 -1.91 -0.03 0.00 0.00 0.00 0.00 44.72 42.87 1qck s GLY 27 CO 0.11 -1.32 1.88 0.83 0.00 0.00 0.00 173.10 174.60 1qck h GLU 28 N -0.44 1.14 -0.24 2.90 5.08 -1.98 0.11 114.58 121.15 1qck h GLU 28 Ca -0.34 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 1qck h GLU 28 Cb 1.27 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1qck h GLU 28 CO 0.38 0.75 0.01 0.28 -1.00 0.00 0.00 179.01 179.44 1qck h VAL 29 N 1.17 1.25 -0.50 3.13 2.07 -2.00 -2.40 116.25 118.98 1qck h VAL 29 Ca 0.43 -0.86 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 1qck h VAL 29 Cb 0.17 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1qck h VAL 29 CO -0.17 0.27 -0.02 -0.07 0.02 0.00 0.00 177.57 177.60 1qck h LEU 30 N 0.19 0.81 -1.03 2.57 3.38 -1.80 -2.53 115.31 116.90 1qck h LEU 30 Ca 0.07 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.84 1qck h LEU 30 Cb 0.39 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 1qck h LEU 30 CO 0.01 0.89 0.65 1.23 0.09 0.00 0.00 178.44 181.31 1qck h GLY 31 N 0.98 1.40 1.06 0.83 0.00 -0.64 -0.82 103.07 105.88 1qck h GLY 31 Ca 0.15 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1qck h GLY 31 CO 0.02 0.49 0.22 0.50 0.00 0.00 0.00 176.54 177.77 1qck h LYS 32 N 1.32 1.16 -0.21 4.80 1.79 -1.01 0.20 116.57 124.62 1qck h LYS 32 Ca 0.37 -0.26 -0.08 0.00 -2.18 0.00 0.00 60.65 58.50 1qck h LYS 32 Cb -0.12 -0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 30.36 1qck h LYS 32 CO -0.09 1.00 -0.20 0.87 -1.08 0.00 0.00 179.45 179.95 1qck h LYS 33 N 1.11 0.50 -0.84 3.15 1.57 -1.12 -0.89 116.57 120.05 1qck h LYS 33 Ca 0.24 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1qck h LYS 33 Cb 0.33 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1qck h LYS 33 CO -0.00 0.84 0.38 -0.07 -0.57 0.00 0.00 179.45 180.03 1qck h LEU 34 N 0.18 1.12 -0.85 2.94 3.38 -1.04 -1.46 115.31 119.58 1qck h LEU 34 Ca 0.03 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1qck h LEU 34 Cb 0.74 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1qck h LEU 34 CO 0.05 0.96 0.56 -0.08 0.09 0.00 0.00 178.44 180.02 1qck h GLU 35 N 1.21 1.13 0.00 1.13 4.81 -0.41 0.14 114.58 122.57 1qck h GLU 35 Ca 0.29 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1qck h GLU 35 Cb 0.15 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1qck h GLU 35 CO -0.03 0.75 0.00 1.49 -0.73 0.00 0.00 179.01 180.49 1qck h GLU 36 N 1.16 0.00 -0.05 1.92 4.22 -0.45 -1.50 114.58 119.88 1qck h GLU 36 Ca 0.31 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.75 1qck h GLU 36 Cb -0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1qck h GLU 36 CO -0.07 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 177.30 1qck n ARG 37 N -3.07 1.71 -0.03 1.92 5.12 0.39 -4.90 116.66 117.79 1qck n ARG 37 Ca -0.00 -1.04 0.00 0.00 -1.93 0.00 0.00 57.85 54.88 1qck n ARG 37 Cb 0.26 -1.46 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 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 1.18 1.22 2.34 -0.13 0.00 -0.57 -5.06 105.19 104.16 1qck n GLY 38 Ca 0.18 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.25 0.74 0.94 1.61 3.01 -0.66 -4.92 117.46 117.93 1qck n PHE 39 Ca 0.00 -3.71 0.14 0.00 1.01 0.00 0.00 57.45 54.89 1qck n PHE 39 Cb 0.01 -0.31 0.58 0.00 -0.01 0.00 0.00 39.48 39.74 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 1.58 0.14 -4.17 4.37 5.75 -1.26 -3.74 116.55 119.22 1qck n ASP 40 Ca 0.25 0.49 -0.16 0.00 -0.01 0.00 0.00 54.79 55.35 1qck n ASP 40 Cb 0.48 -0.52 -0.11 0.00 -1.03 0.00 0.00 41.12 39.93 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 -3.02 0.81 0.12 0.11 -0.14 -1.26 -4.02 119.74 112.35 1qck s LYS 41 Ca 0.13 -1.02 -0.17 0.00 -1.36 0.00 0.00 55.97 53.55 1qck s LYS 41 Cb 0.18 -0.68 -0.03 0.00 -1.68 0.00 0.00 37.83 35.62 1qck s LYS 41 CO 0.54 0.14 1.69 0.00 -0.76 0.00 0.00 175.35 176.96 1qck h ALA 42 N 4.02 0.44 0.00 5.17 0.00 -1.72 -2.52 119.26 124.65 1qck h ALA 42 Ca -0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1qck h ALA 42 Cb 1.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1qck h ALA 42 CO 0.45 0.01 0.16 0.10 0.00 0.00 0.00 179.25 179.97 1qck h TYR 43 N 0.41 0.00 0.04 0.00 -0.00 -1.86 0.41 116.97 115.96 1qck h TYR 43 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.62 1qck h TYR 43 Cb 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.85 1qck h TYR 43 CO -0.01 0.00 -1.04 0.28 -0.00 0.00 0.00 178.16 177.38 1qck h VAL 44 N 0.00 1.63 0.07 -0.90 2.07 -1.85 -2.80 116.25 114.46 1qck h VAL 44 Ca 0.00 -3.22 -0.26 0.00 0.82 0.00 0.00 66.70 64.05 1qck h VAL 44 Cb 0.31 2.82 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1qck h VAL 44 CO 0.00 0.93 -1.11 0.58 0.02 0.00 0.00 177.57 177.99 1qck h VAL 45 N 0.03 1.39 -0.79 2.57 2.07 -0.28 -2.99 116.25 118.25 1qck h VAL 45 Ca -0.05 -2.62 0.01 0.00 0.82 0.00 0.00 66.70 64.86 1qck h VAL 45 Cb 1.78 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 34.15 1qck h VAL 45 CO 0.15 0.78 0.52 0.25 0.02 0.00 0.00 177.57 179.29 1qck h LEU 46 N 0.20 0.91 -0.66 2.57 5.85 -1.22 -1.58 115.31 121.39 1qck h LEU 46 Ca -0.13 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.64 1qck h LEU 46 Cb 1.78 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 1qck h LEU 46 CO 0.20 0.66 0.34 1.23 -0.34 0.00 0.00 178.44 180.53 1qck h GLY 47 N 1.07 0.97 1.01 3.75 0.00 -1.35 -0.45 103.07 108.07 1qck h GLY 47 Ca 0.29 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1qck h GLY 47 CO -0.06 0.11 0.51 -1.61 0.00 0.00 0.00 176.54 175.49 1qck h GLN 48 N 0.62 1.03 -0.99 4.80 5.75 -1.23 0.39 115.11 125.48 1qck h GLN 48 Ca 0.31 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.75 1qck h GLN 48 Cb 0.25 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 1qck h GLN 48 CO -0.22 0.68 0.66 0.35 -2.65 0.00 0.00 178.83 177.65 1qck h PHE 49 N 1.05 1.24 -0.37 3.99 3.57 -0.95 0.73 116.94 126.20 1qck h PHE 49 Ca 0.28 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.65 1qck h PHE 49 Cb -0.12 -0.42 -0.00 0.00 2.79 0.00 0.00 35.95 38.20 1qck h PHE 49 CO -0.02 0.78 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.36 1qck h LEU 50 N 1.34 1.00 -1.30 0.59 3.38 0.01 -2.58 115.31 117.75 1qck h LEU 50 Ca 0.36 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1qck h LEU 50 Cb -0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.30 1qck h LEU 50 CO -0.08 1.28 -0.30 0.58 0.09 0.00 0.00 178.44 180.01 1qck h VAL 51 N 0.75 0.88 -0.26 1.22 2.07 0.61 -2.80 116.25 118.72 1qck h VAL 51 Ca 0.05 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1qck h VAL 51 Cb 1.02 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1qck h VAL 51 CO 0.10 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.16 1qck n LEU 52 N -3.71 2.45 -1.65 2.57 4.77 0.17 -4.85 117.00 116.74 1qck n LEU 52 Ca -0.01 -1.24 -0.17 0.00 -0.03 0.00 0.00 56.01 54.56 1qck n LEU 52 Cb 0.40 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1qck n LEU 52 CO 0.35 0.41 -0.17 0.29 -1.33 0.00 0.00 177.39 176.94 1qck n LYS 53 N 0.31 -1.47 -1.58 3.23 5.02 -1.06 -1.15 118.16 121.47 1qck n LYS 53 Ca 0.11 0.98 -0.20 0.00 -2.02 0.00 0.00 58.31 57.18 1qck n LYS 53 Cb 0.49 -5.36 -0.09 0.00 -0.02 0.00 0.00 35.03 30.06 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 -2.27 -1.47 -2.07 1.97 5.02 -0.98 -4.91 118.16 113.46 1qck n LYS 54 Ca -0.18 1.21 -0.42 0.00 -2.02 0.00 0.00 58.31 56.90 1qck n LYS 54 Cb 0.58 -5.59 -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 0.34 -0.52 0.00 0.00 177.40 177.22 1qck s ASP 55 N -2.75 6.71 0.20 4.39 -1.08 -0.30 -4.89 116.67 118.96 1qck s ASP 55 Ca 0.00 2.22 -0.10 0.00 -0.52 0.00 0.00 52.55 54.15 1qck s ASP 55 Cb 0.00 -2.55 0.14 0.00 -1.46 0.00 0.00 42.92 39.06 1qck s ASP 55 CO 0.00 -0.86 1.81 -0.08 0.52 0.00 0.00 175.17 176.56 1qck h GLU 56 N 8.84 1.06 -0.37 4.34 4.57 -1.90 -1.10 114.58 130.01 1qck h GLU 56 Ca -0.39 -0.14 -0.16 0.00 -1.18 0.00 0.00 59.36 57.49 1qck h GLU 56 Cb 1.18 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 1qck h GLU 56 CO 0.94 0.81 -0.41 -0.44 -1.18 0.00 0.00 179.01 178.73 1qck h ASP 57 N 1.04 1.00 -0.36 1.04 3.32 -1.99 -1.07 116.42 119.39 1qck h ASP 57 Ca 0.26 -0.47 -0.17 0.00 0.02 0.00 0.00 57.03 56.68 1qck h ASP 57 Cb 0.07 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.34 1qck h ASP 57 CO -0.04 1.27 -0.42 -0.07 -1.72 0.00 0.00 179.24 178.26 1qck h LEU 58 N 0.75 1.00 -0.13 1.55 3.38 -1.92 -1.88 115.31 118.07 1qck h LEU 58 Ca 0.06 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1qck h LEU 58 Cb 1.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1qck h LEU 58 CO 0.10 1.28 0.06 0.15 0.09 0.00 0.00 178.44 180.11 1qck h PHE 59 N 0.75 0.19 -0.29 1.13 3.57 -1.13 0.02 116.94 121.17 1qck h PHE 59 Ca 0.05 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1qck h PHE 59 Cb 1.02 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1qck h PHE 59 CO 0.06 0.25 0.19 0.00 -2.23 0.00 0.00 178.31 176.58 1qck h ARG 60 N 0.07 0.38 -0.74 1.11 3.08 -1.13 -0.44 114.38 116.71 1qck h ARG 60 Ca 0.04 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1qck h ARG 60 Cb 0.13 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1qck h ARG 60 CO -0.01 0.26 0.22 0.93 -1.07 0.00 0.00 179.97 180.30 1qck h GLU 61 N 0.39 1.15 0.00 0.04 5.08 -1.25 -0.94 114.58 119.06 1qck h GLU 61 Ca 0.11 -0.25 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1qck h GLU 61 Cb -0.04 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.05 1qck h GLU 61 CO -0.02 0.99 -0.00 2.35 -1.00 0.00 0.00 179.01 181.32 1qck h TRP 62 N 1.10 -0.01 -0.14 4.33 7.01 -0.49 0.35 115.95 128.10 1qck h TRP 62 Ca 0.24 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.20 1qck h TRP 62 Cb 0.32 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1qck h TRP 62 CO 0.03 0.08 -0.04 1.25 -2.79 0.00 0.00 178.44 176.96 1qck h LEU 63 N -0.08 0.28 -0.26 0.65 5.85 -0.98 0.27 115.31 121.03 1qck h LEU 63 Ca -0.00 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1qck h LEU 63 Cb 0.08 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1qck h LEU 63 CO 0.00 0.60 0.10 0.50 -0.34 0.00 0.00 178.44 179.30 1qck h LYS 64 N -0.03 0.40 -0.04 1.25 3.64 -1.15 0.80 116.57 121.43 1qck h LYS 64 Ca 0.03 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 1qck h LYS 64 Cb 0.48 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1qck h LYS 64 CO 0.02 0.43 -0.40 0.22 -2.27 0.00 0.00 179.45 177.45 1qck h ASP 65 N 0.27 0.08 0.56 4.20 1.82 -0.29 0.50 116.42 123.56 1qck h ASP 65 Ca 0.09 -0.03 -0.26 0.00 -0.39 0.00 0.00 57.03 56.43 1qck h ASP 65 Cb 0.19 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1qck h ASP 65 CO -0.01 0.48 -1.17 0.74 -1.61 0.00 0.00 179.24 177.67 1qck h THR 66 N 0.07 1.48 0.00 2.25 2.02 -0.07 -3.42 112.91 115.23 1qck h THR 66 Ca 0.00 -2.92 0.00 0.00 0.77 0.00 0.00 66.41 64.27 1qck h THR 66 Cb 0.75 2.82 0.00 0.00 -1.74 0.00 0.00 68.15 69.98 1qck h THR 66 CO 0.06 0.85 -0.41 0.00 0.37 0.00 0.00 175.52 176.39 1qck n GLY 68 N 1.90 1.44 3.45 0.00 0.00 0.17 -5.01 105.19 107.14 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 -0.90 -1.55 -1.96 4.61 0.00 -1.26 -4.92 120.51 114.53 1qck n ALA 69 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1qck n ALA 69 Cb 0.00 -1.83 0.06 0.00 0.00 0.00 0.00 19.45 17.68 1qck n ALA 69 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1qck s ASN 70 N -1.40 4.98 0.43 0.00 3.84 -1.26 -4.61 114.94 116.92 1qck s ASN 70 Ca 0.65 0.16 0.09 0.00 0.21 0.00 0.00 52.86 53.97 1qck s ASN 70 Cb -0.37 -0.90 0.92 0.00 -0.55 0.00 0.00 41.25 40.36 1qck s ASN 70 CO 0.58 -1.41 2.07 0.00 -2.79 0.00 0.00 177.10 175.54 1qck h ALA 71 N -0.28 1.74 -0.23 1.71 0.00 -2.00 -2.16 119.26 118.04 1qck h ALA 71 Ca -0.43 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1qck h ALA 71 Cb 1.30 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1qck h ALA 71 CO 0.54 0.23 -0.50 0.87 0.00 0.00 0.00 179.25 180.39 1qck h LYS 72 N 0.44 0.75 -0.36 0.00 1.57 -2.01 -2.84 116.57 114.13 1qck h LYS 72 Ca 0.12 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.30 1qck h LYS 72 Cb -0.03 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 1qck h LYS 72 CO -0.02 1.12 -0.21 1.96 -0.57 0.00 0.00 179.45 181.73 1qck h GLN 73 N 0.48 0.68 -0.45 3.15 4.20 -1.81 -2.99 115.11 118.37 1qck h GLN 73 Ca 0.00 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.34 1qck h GLN 73 Cb 1.11 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.84 1qck h GLN 73 CO 0.11 0.84 -0.18 1.03 -0.67 0.00 0.00 178.83 179.96 1qck h SER 74 N 0.60 0.89 -0.67 1.46 0.87 -1.40 -2.72 113.55 112.59 1qck h SER 74 Ca 0.09 -0.31 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1qck h SER 74 Cb 0.68 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 62.36 1qck h SER 74 CO 0.05 1.05 0.44 0.03 -0.53 0.00 0.00 176.83 177.87 1qck h ARG 75 N 0.78 0.87 -0.44 2.24 3.08 -1.35 -1.04 114.38 118.52 1qck h ARG 75 Ca 0.11 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1qck h ARG 75 Cb 0.71 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 1qck h ARG 75 CO 0.05 0.58 -0.25 -0.44 -1.07 0.00 0.00 179.97 178.84 1qck h ASP 76 N 0.90 0.96 -0.43 7.04 3.32 -1.43 -2.46 116.42 124.31 1qck h ASP 76 Ca 0.25 -0.38 -0.12 0.00 0.02 0.00 0.00 57.03 56.80 1qck h ASP 76 Cb -0.10 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.17 1qck h ASP 76 CO -0.05 1.15 -0.19 0.00 -1.72 0.00 0.00 179.24 178.43 1qck h PHE 78 N 0.72 -1.25 -0.49 0.00 3.57 -1.12 0.74 116.94 119.12 1qck h PHE 78 Ca 0.10 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1qck h PHE 78 Cb 0.76 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1qck h PHE 78 CO 0.06 -0.77 0.32 0.78 -2.23 0.00 0.00 178.31 176.46 1qck h GLY 79 N -1.34 0.69 0.79 2.40 0.00 -1.48 0.95 103.07 105.08 1qck h GLY 79 Ca -0.14 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 1qck h GLY 79 CO 0.23 0.25 -0.18 0.00 0.00 0.00 0.00 176.54 176.84 1qck h LEU 81 N 0.08 0.80 -0.83 0.00 3.38 0.11 -2.09 115.31 116.76 1qck h LEU 81 Ca 0.03 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 1qck h LEU 81 Cb 0.72 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1qck h LEU 81 CO 0.04 1.20 0.48 -0.09 0.09 0.00 0.00 178.44 180.17 1qck h ARG 82 N 0.43 1.14 -0.29 1.13 9.65 0.93 -2.07 114.38 125.29 1qck h ARG 82 Ca 0.00 -0.11 -0.15 0.00 -1.10 0.00 0.00 59.98 58.62 1qck h ARG 82 Cb 1.08 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 29.42 1qck h ARG 82 CO 0.10 0.81 -0.43 0.93 2.80 0.00 0.00 179.97 184.18 1qck h GLU 83 N 1.14 0.74 -0.66 0.20 4.39 -0.90 -2.21 114.58 117.29 1qck h GLU 83 Ca 0.30 -0.40 0.01 0.00 0.34 0.00 0.00 59.36 59.60 1qck h GLU 83 Cb -0.02 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 1qck h GLU 83 CO -0.05 1.03 0.44 2.35 -1.16 0.00 0.00 179.01 181.61 1qck h TRP 84 N 0.60 0.82 -1.00 4.33 7.01 -1.01 -1.53 115.95 125.16 1qck h TRP 84 Ca 0.04 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.07 1qck h TRP 84 Cb 0.99 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.72 1qck h TRP 84 CO 0.05 0.52 0.67 0.00 -2.79 0.00 0.00 178.44 176.89 1qck h ASP 86 N 1.36 0.47 0.25 0.00 3.32 -0.66 1.77 116.42 122.94 1qck h ASP 86 Ca 0.37 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 57.07 1qck h ASP 86 Cb -0.16 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 1qck h ASP 86 CO -0.08 0.33 -1.99 0.00 -1.72 0.00 0.00 179.24 175.78 1qck n ALA 87 N -2.48 1.29 0.25 3.45 0.00 -0.60 -4.45 120.51 117.97 1qck n ALA 87 Ca 0.05 -0.83 0.05 0.00 0.00 0.00 0.00 53.44 52.71 1qck n ALA 87 Cb 0.12 -0.62 0.08 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.17 0.14 -1.07 0.00 3.72 0.14 -5.12 117.46 112.10 1qck n PHE 88 Ca -0.27 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 56.97 1qck n PHE 88 Cb 1.06 -0.01 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