#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 0.00 -2.29 2.03 -1.04 -1.26 -4.93 114.28 106.79 1qck n THR 2 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1qck n THR 2 Cb 0.00 -0.91 0.06 0.00 -1.82 0.00 0.00 70.33 67.66 1qck n THR 2 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1qck s THR 3 N -1.00 2.35 0.97 12.58 -4.23 -1.26 -5.05 115.64 120.01 1qck s THR 3 Ca 0.00 -0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 60.05 1qck s THR 3 Cb 0.00 -3.00 0.17 0.00 1.34 0.00 0.00 72.50 71.01 1qck s THR 3 CO 0.00 -0.00 1.10 -0.44 -0.54 0.00 0.00 174.62 174.74 1qck s SER 4 N -4.50 2.60 0.61 3.99 0.01 -1.26 -4.83 113.70 110.32 1qck s SER 4 Ca 0.60 1.91 0.31 0.00 1.31 0.00 0.00 55.95 60.08 1qck s SER 4 Cb -0.11 -2.45 1.77 0.00 0.21 0.00 0.00 66.02 65.44 1qck s SER 4 CO 0.43 -3.26 2.12 0.06 0.41 0.00 0.00 173.24 173.00 1qck h GLN 5 N -1.97 0.00 -0.84 12.44 3.07 -2.01 -0.57 115.11 125.23 1qck h GLN 5 Ca -0.49 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.26 1qck h GLN 5 Cb 1.28 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.80 1qck h GLN 5 CO 0.46 0.00 0.55 0.87 0.09 0.00 0.00 178.83 180.80 1qck h LYS 6 N 0.00 1.11 0.23 0.06 1.57 -1.92 0.12 116.57 117.74 1qck h LYS 6 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1qck h LYS 6 Cb 0.44 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1qck h LYS 6 CO -0.00 0.74 -0.11 1.25 -0.57 0.00 0.00 179.45 180.76 1qck h HIS 7 N 1.14 -0.28 -0.20 -1.35 2.76 -1.41 0.18 115.15 115.98 1qck h HIS 7 Ca 0.31 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.33 1qck h HIS 7 Cb -0.12 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 1qck h HIS 7 CO 0.00 -0.17 -0.45 0.00 -1.30 0.00 0.00 177.93 176.01 1qck h ARG 8 N -0.31 0.51 -0.66 5.26 3.08 -1.60 -2.86 114.38 117.80 1qck h ARG 8 Ca -0.03 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 59.66 1qck h ARG 8 Cb 0.24 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 1qck h ARG 8 CO 0.05 0.86 0.08 -0.44 -1.07 0.00 0.00 179.97 179.45 1qck h ASP 9 N 0.41 1.08 -0.03 7.04 3.32 -0.54 0.13 116.42 127.83 1qck h ASP 9 Ca 0.03 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1qck h ASP 9 Cb 0.95 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 40.21 1qck h ASP 9 CO 0.08 1.08 0.01 0.15 -1.72 0.00 0.00 179.24 178.85 1qck h PHE 10 N 1.03 0.04 -0.15 4.55 3.57 -0.52 -2.68 116.94 122.79 1qck h PHE 10 Ca 0.20 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1qck h PHE 10 Cb 0.48 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1qck h PHE 10 CO 0.04 0.18 0.00 1.33 -2.23 0.00 0.00 178.31 177.63 1qck n VAL 11 N -4.99 0.19 0.12 1.41 0.24 -1.09 -3.61 118.33 110.61 1qck n VAL 11 Ca -0.07 -0.25 0.11 0.00 -2.04 0.00 0.00 64.34 62.09 1qck n VAL 11 Cb 0.10 0.15 -0.15 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.02 3.02 -3.22 2.33 0.00 0.45 -4.97 120.51 118.14 1qck n ALA 12 Ca 0.13 -0.51 -0.14 0.00 0.00 0.00 0.00 53.44 52.93 1qck n ALA 12 Cb 0.23 -0.78 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.45 0.81 0.71 0.00 -1.05 -1.11 -5.05 118.70 109.55 1qck s GLU 13 Ca -0.06 -0.22 -0.15 0.00 -0.15 0.00 0.00 54.97 54.40 1qck s GLU 13 Cb 0.14 0.36 -0.13 0.00 -0.44 0.00 0.00 34.13 34.07 1qck s GLU 13 CO 0.90 -0.25 -0.50 -2.30 0.95 0.00 0.00 175.26 174.05 1qck n PRO 14 N 0.92 0.00 -0.05 -4.83 -0.02 -1.26 -4.74 135.00 125.03 1qck n PRO 14 Ca -0.20 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.20 1qck n PRO 14 Cb 0.58 -0.84 -0.14 0.00 -0.02 0.00 0.00 33.50 33.07 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 1.84 0.65 0.00 -0.52 0.00 -1.26 -4.99 117.12 112.84 1qck n MET 15 Ca 0.01 0.18 0.00 0.00 0.00 0.00 0.00 57.70 57.89 1qck n MET 15 Cb 0.45 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 31.97 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 1.61 2.89 1.77 3.17 0.00 -1.26 -2.41 105.19 110.96 1qck n GLY 16 Ca -0.22 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 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 2.58 -1.72 1.61 1.02 -1.26 -4.67 120.64 132.21 1qck n GLU 17 Ca 0.00 -3.49 -0.38 0.00 -0.02 0.00 0.00 57.16 53.27 1qck n GLU 17 Cb 0.00 -2.09 0.06 0.00 -0.02 0.00 0.00 31.44 29.39 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 -0.96 1.29 -1.09 3.49 5.02 -1.01 -4.76 118.16 120.15 1qck n LYS 18 Ca 0.46 0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 56.91 1qck n LYS 18 Cb 0.97 -2.50 0.13 0.00 -0.02 0.00 0.00 35.03 33.61 1qck n LYS 18 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1qck s PRO 19 N -3.12 1.59 0.15 1.97 0.04 -1.26 -2.35 135.00 132.01 1qck s PRO 19 Ca 0.78 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 63.40 1qck s PRO 19 Cb -0.40 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.40 1qck s PRO 19 CO 0.44 -2.25 1.74 -0.24 0.04 0.00 0.00 177.00 176.73 1qck h VAL 20 N -0.96 0.89 0.00 -0.36 3.04 -1.80 -0.81 116.25 116.25 1qck h VAL 20 Ca -0.46 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.16 1qck h VAL 20 Cb 1.30 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1qck h VAL 20 CO 0.46 0.04 0.06 0.61 -1.01 0.00 0.00 177.57 177.73 1qck n GLY 21 N -1.21 -0.13 0.17 3.17 0.00 -1.26 -0.30 105.19 105.63 1qck n GLY 21 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.55 1.61 0.02 -1.40 -3.44 113.55 106.79 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 0.12 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.73 1qck h SER 22 CO 0.00 0.15 0.78 -0.76 -1.14 0.00 0.00 176.83 175.86 1qck s LEU 23 N -6.03 4.37 0.28 5.07 1.43 0.58 -4.86 118.68 119.52 1qck s LEU 23 Ca 0.04 2.82 -0.30 0.00 -1.03 0.00 0.00 54.13 55.66 1qck s LEU 23 Cb 0.07 -3.64 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1qck s LEU 23 CO 0.73 -0.77 1.44 0.00 0.23 0.00 0.00 176.35 177.98 1qck s ALA 24 N -0.40 3.62 0.00 4.21 0.00 -1.26 -1.84 121.76 126.09 1qck s ALA 24 Ca 0.57 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.90 1qck s ALA 24 Cb -0.44 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1qck s ALA 24 CO 0.50 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1qck n GLY 25 N 1.85 3.43 3.53 0.00 0.00 -1.26 -3.08 105.19 109.65 1qck n GLY 25 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.73 5.28 0.74 -0.61 -1.09 -0.77 -4.76 121.20 117.27 1qck s ILE 26 Ca 0.00 -0.23 -0.03 0.00 -2.23 0.00 0.00 60.65 58.17 1qck s ILE 26 Cb 0.00 -3.73 0.13 0.00 -1.58 0.00 0.00 42.46 37.27 1qck s ILE 26 CO 0.00 -0.03 1.02 -0.83 -1.23 0.00 0.00 174.94 173.87 1qck s GLY 27 N 1.72 1.76 0.27 6.18 0.00 -1.26 -4.65 107.32 111.35 1qck s GLY 27 Ca 0.06 -1.61 -0.01 0.00 0.00 0.00 0.00 44.72 43.16 1qck s GLY 27 CO 0.11 -1.04 1.87 0.83 0.00 0.00 0.00 173.10 174.87 1qck h GLU 28 N -0.64 1.11 -0.32 2.90 5.08 -1.98 0.14 114.58 120.87 1qck h GLU 28 Ca -0.38 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1qck h GLU 28 Cb 1.27 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1qck h GLU 28 CO 0.41 0.73 -0.04 0.28 -1.00 0.00 0.00 179.01 179.40 1qck h VAL 29 N 1.14 1.27 -0.43 3.13 2.07 -2.00 -2.51 116.25 118.92 1qck h VAL 29 Ca 0.45 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 1qck h VAL 29 Cb 0.23 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1qck h VAL 29 CO -0.19 0.34 -0.13 -0.07 0.02 0.00 0.00 177.57 177.54 1qck h LEU 30 N 0.38 0.79 -1.01 2.57 3.38 -1.74 -2.63 115.31 117.05 1qck h LEU 30 Ca 0.09 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.82 1qck h LEU 30 Cb 0.51 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1qck h LEU 30 CO 0.02 0.93 0.67 1.23 0.09 0.00 0.00 178.44 181.39 1qck h GLY 31 N 0.97 1.42 1.08 0.83 0.00 -0.61 -2.19 103.07 104.57 1qck h GLY 31 Ca 0.12 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1qck h GLY 31 CO 0.04 0.52 0.14 0.50 0.00 0.00 0.00 176.54 177.74 1qck h LYS 32 N 1.37 1.13 -0.10 4.80 1.57 -1.10 -1.19 116.57 123.05 1qck h LYS 32 Ca 0.37 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1qck h LYS 32 Cb -0.16 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.01 1qck h LYS 32 CO -0.08 1.01 0.01 0.87 -0.57 0.00 0.00 179.45 180.69 1qck h LYS 33 N 1.06 0.17 -0.54 3.15 1.57 -1.12 -1.88 116.57 118.98 1qck h LYS 33 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1qck h LYS 33 Cb 0.40 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1qck h LYS 33 CO 0.01 0.39 0.26 -0.07 -0.57 0.00 0.00 179.45 179.47 1qck h LEU 34 N -0.07 0.68 -0.76 2.94 3.38 -1.37 -2.24 115.31 117.88 1qck h LEU 34 Ca 0.03 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1qck h LEU 34 Cb 0.30 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1qck h LEU 34 CO 0.00 0.58 0.50 -0.08 0.09 0.00 0.00 178.44 179.54 1qck h GLU 35 N 0.76 1.00 0.00 1.13 4.81 -0.85 0.56 114.58 122.00 1qck h GLU 35 Ca 0.19 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1qck h GLU 35 Cb 0.08 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1qck h GLU 35 CO -0.03 0.66 0.00 0.93 -0.73 0.00 0.00 179.01 179.85 1qck h GLU 36 N 1.03 0.00 -0.28 1.92 5.08 -0.73 -0.72 114.58 120.87 1qck h GLU 36 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1qck h GLU 36 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1qck h GLU 36 CO -0.06 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 1qck n ARG 37 N -2.99 1.88 -0.07 2.33 1.74 0.11 -4.88 116.66 114.78 1qck n ARG 37 Ca -0.01 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1qck n ARG 37 Cb 0.18 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 1qck n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qck n GLY 38 N 1.17 0.87 3.00 -0.13 0.00 -0.28 -5.01 105.19 104.80 1qck n GLY 38 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.06 3.21 0.94 1.61 3.72 -0.72 -4.78 117.46 119.39 1qck n PHE 39 Ca 0.00 -3.21 0.14 0.00 -0.05 0.00 0.00 57.45 54.33 1qck n PHE 39 Cb 0.00 -1.23 0.55 0.00 -0.94 0.00 0.00 39.48 37.86 1qck n PHE 39 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1qck n ASP 40 N 1.60 0.17 -4.20 4.37 5.75 -1.26 -3.64 116.55 119.34 1qck n ASP 40 Ca 0.26 0.44 -0.19 0.00 -0.01 0.00 0.00 54.79 55.28 1qck n ASP 40 Cb 0.36 -0.46 -0.12 0.00 -1.03 0.00 0.00 41.12 39.87 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 0.89 0.20 0.11 -0.14 -1.26 -4.22 119.74 112.30 1qck s LYS 41 Ca 0.13 -1.01 -0.08 0.00 -1.36 0.00 0.00 55.97 53.64 1qck s LYS 41 Cb 0.18 -0.94 0.11 0.00 -1.68 0.00 0.00 37.83 35.50 1qck s LYS 41 CO 0.56 0.21 1.71 0.00 -0.76 0.00 0.00 175.35 177.06 1qck h ALA 42 N 4.20 0.93 0.00 5.17 0.00 -1.65 -2.48 119.26 125.44 1qck h ALA 42 Ca -0.42 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1qck h ALA 42 Cb 1.19 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1qck h ALA 42 CO 0.41 0.67 0.00 0.10 0.00 0.00 0.00 179.25 180.43 1qck h TYR 43 N 1.07 0.00 0.06 0.00 -0.00 -1.83 0.17 116.97 116.45 1qck h TYR 43 Ca 0.22 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.71 1qck h TYR 43 Cb 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.12 1qck h TYR 43 CO 0.03 0.00 -1.11 0.28 -0.00 0.00 0.00 178.16 177.37 1qck h VAL 44 N 0.00 1.59 0.04 -0.90 2.07 -1.85 -2.79 116.25 114.41 1qck h VAL 44 Ca 0.00 -3.16 -0.25 0.00 0.82 0.00 0.00 66.70 64.10 1qck h VAL 44 Cb 0.03 2.86 0.01 0.00 -1.52 0.00 0.00 31.29 32.66 1qck h VAL 44 CO 0.00 0.91 -1.06 0.58 0.02 0.00 0.00 177.57 178.03 1qck h VAL 45 N 0.05 1.36 -0.55 2.57 2.07 -0.79 -2.98 116.25 117.98 1qck h VAL 45 Ca -0.07 -2.48 0.01 0.00 0.82 0.00 0.00 66.70 64.97 1qck h VAL 45 Cb 1.84 2.52 -0.03 0.00 -1.52 0.00 0.00 31.29 34.11 1qck h VAL 45 CO 0.17 0.75 0.37 0.25 0.02 0.00 0.00 177.57 179.12 1qck h LEU 46 N 0.26 0.63 -0.96 2.57 5.85 -0.84 -1.32 115.31 121.50 1qck h LEU 46 Ca -0.12 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1qck h LEU 46 Cb 1.71 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.54 1qck h LEU 46 CO 0.19 0.46 0.63 1.23 -0.34 0.00 0.00 178.44 180.61 1qck h GLY 47 N 0.75 1.34 1.01 3.75 0.00 -1.33 -2.25 103.07 106.33 1qck h GLY 47 Ca 0.20 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 47.04 1qck h GLY 47 CO -0.04 0.49 0.56 -1.61 0.00 0.00 0.00 176.54 175.94 1qck h GLN 48 N 1.29 1.11 -1.01 4.80 5.75 -1.20 -0.11 115.11 125.74 1qck h GLN 48 Ca 0.35 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.79 1qck h GLN 48 Cb -0.15 -0.25 -0.05 0.00 1.07 0.00 0.00 27.48 28.10 1qck h GLN 48 CO -0.08 0.73 0.67 0.35 -2.65 0.00 0.00 178.83 177.85 1qck h PHE 49 N 1.14 1.26 -0.42 3.99 3.57 -1.31 -1.68 116.94 123.51 1qck h PHE 49 Ca 0.31 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.71 1qck h PHE 49 Cb -0.13 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.17 1qck h PHE 49 CO -0.01 0.80 -0.26 -0.07 -2.23 0.00 0.00 178.31 176.53 1qck h LEU 50 N 1.36 0.91 -2.16 0.59 3.38 -0.94 -2.71 115.31 115.74 1qck h LEU 50 Ca 0.37 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 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 1.11 -0.07 0.58 0.09 0.00 0.00 178.44 180.08 1qck h VAL 51 N 0.75 0.50 -0.40 1.22 2.07 -0.15 -1.93 116.25 118.32 1qck h VAL 51 Ca 0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1qck h VAL 51 Cb 0.82 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1qck h VAL 51 CO 0.07 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1qck n LEU 52 N -3.66 3.92 -3.02 2.57 4.77 -0.88 -4.89 117.00 115.81 1qck n LEU 52 Ca -0.02 -1.98 -0.19 0.00 -0.03 0.00 0.00 56.01 53.79 1qck n LEU 52 Cb 0.18 -0.58 -0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1qck n LEU 52 CO 0.28 0.53 -0.07 0.29 -1.33 0.00 0.00 177.39 177.09 1qck n LYS 53 N 0.50 -3.09 -1.60 3.23 5.02 -0.73 0.14 118.16 121.64 1qck n LYS 53 Ca 0.18 0.52 -0.21 0.00 -2.02 0.00 0.00 58.31 56.78 1qck n LYS 53 Cb 0.81 -5.19 -0.09 0.00 -0.02 0.00 0.00 35.03 30.54 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 -3.40 -1.46 -2.04 1.97 5.02 -1.12 -4.90 118.16 112.23 1qck n LYS 54 Ca -0.06 1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 57.03 1qck n LYS 54 Cb 0.57 -5.62 -0.03 0.00 -0.02 0.00 0.00 35.03 29.93 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 -2.77 6.20 0.23 4.39 -1.08 0.12 -4.87 116.67 118.89 1qck s ASP 55 Ca 0.00 1.57 -0.07 0.00 -0.52 0.00 0.00 52.55 53.53 1qck s ASP 55 Cb 0.00 -2.53 0.20 0.00 -1.46 0.00 0.00 42.92 39.13 1qck s ASP 55 CO 0.00 -1.41 1.84 -0.08 0.52 0.00 0.00 175.17 176.04 1qck h GLU 56 N 11.52 1.26 -0.38 4.34 4.81 -1.90 -1.49 114.58 132.74 1qck h GLU 56 Ca -0.35 -0.16 -0.16 0.00 -0.13 0.00 0.00 59.36 58.57 1qck h GLU 56 Cb 1.16 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1qck h GLU 56 CO 1.01 0.93 -0.39 -0.44 -0.73 0.00 0.00 179.01 179.38 1qck h ASP 57 N 1.25 0.98 -0.29 1.04 3.32 -1.99 -1.24 116.42 119.49 1qck h ASP 57 Ca 0.31 -0.45 -0.15 0.00 0.02 0.00 0.00 57.03 56.76 1qck h ASP 57 Cb 0.05 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1qck h ASP 57 CO -0.05 1.25 -0.38 -0.07 -1.72 0.00 0.00 179.24 178.27 1qck h LEU 58 N 0.75 0.89 0.05 1.55 3.38 -1.92 -0.80 115.31 119.21 1qck h LEU 58 Ca 0.06 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1qck h LEU 58 Cb 0.98 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1qck h LEU 58 CO 0.10 1.16 -0.02 0.15 0.09 0.00 0.00 178.44 179.92 1qck h PHE 59 N 0.69 -0.06 -0.53 1.13 3.57 -1.17 0.18 116.94 120.75 1qck h PHE 59 Ca 0.06 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1qck h PHE 59 Cb 0.95 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1qck h PHE 59 CO 0.05 0.15 0.25 0.00 -2.23 0.00 0.00 178.31 176.53 1qck h ARG 60 N -0.26 0.77 -0.74 1.11 3.08 -1.19 0.66 114.38 117.81 1qck h ARG 60 Ca -0.01 -0.12 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1qck h ARG 60 Cb 0.23 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1qck h ARG 60 CO 0.01 0.65 0.23 1.49 -1.07 0.00 0.00 179.97 181.28 1qck h GLU 61 N 0.72 1.15 -0.24 0.04 4.81 -1.05 0.88 114.58 120.88 1qck h GLU 61 Ca 0.18 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1qck h GLU 61 Cb 0.13 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1qck h GLU 61 CO -0.02 0.98 0.03 2.35 -0.73 0.00 0.00 179.01 181.61 1qck h TRP 62 N 1.10 0.44 -0.03 0.92 7.01 -0.13 0.12 115.95 125.39 1qck h TRP 62 Ca 0.24 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1qck h TRP 62 Cb 0.30 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1qck h TRP 62 CO 0.03 0.54 -0.01 1.25 -2.79 0.00 0.00 178.44 177.46 1qck h LEU 63 N 0.21 0.06 -0.11 0.65 5.85 -0.68 0.33 115.31 121.62 1qck h LEU 63 Ca 0.07 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 1qck h LEU 63 Cb 0.35 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1qck h LEU 63 CO 0.01 0.42 0.07 0.50 -0.34 0.00 0.00 178.44 179.10 1qck h LYS 64 N -0.31 0.15 0.00 1.25 3.64 -0.84 0.15 116.57 120.61 1qck h LYS 64 Ca 0.01 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.29 1qck h LYS 64 Cb 0.40 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1qck h LYS 64 CO 0.00 0.14 -0.40 0.22 -2.27 0.00 0.00 179.45 177.14 1qck h ASP 65 N 0.12 0.00 0.64 4.20 1.82 -0.77 0.85 116.42 123.27 1qck h ASP 65 Ca 0.04 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.42 1qck h ASP 65 Cb 0.02 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.04 1qck h ASP 65 CO -0.01 0.40 -1.18 0.74 -1.61 0.00 0.00 179.24 177.58 1qck h THR 66 N 0.00 1.51 0.00 2.25 2.02 0.20 -3.42 112.91 115.47 1qck h THR 66 Ca -0.00 -3.03 0.00 0.00 0.77 0.00 0.00 66.41 64.15 1qck h THR 66 Cb 0.76 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.04 1qck h THR 66 CO 0.05 0.88 -0.42 0.00 0.37 0.00 0.00 175.52 176.40 1qck n GLY 68 N 1.53 1.23 3.46 0.00 0.00 0.29 -5.02 105.19 106.68 1qck n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.34 -1.56 -1.96 4.61 0.00 -1.26 -4.93 120.51 114.08 1qck n ALA 69 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 1qck n ALA 69 Cb 0.00 -1.84 0.06 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.44 4.98 0.41 0.00 -0.87 -1.26 -4.59 114.94 112.17 1qck s ASN 70 Ca 0.65 0.08 0.07 0.00 -1.57 0.00 0.00 52.86 52.09 1qck s ASN 70 Cb -0.36 -0.81 0.87 0.00 -0.02 0.00 0.00 41.25 40.93 1qck s ASN 70 CO 0.58 -1.40 2.06 0.00 -2.57 0.00 0.00 177.10 175.77 1qck h ALA 71 N -0.23 1.71 -0.22 0.60 0.00 -1.99 -1.20 119.26 117.93 1qck h ALA 71 Ca -0.42 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.27 1qck h ALA 71 Cb 1.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1qck h ALA 71 CO 0.53 0.26 -0.61 -0.22 0.00 0.00 0.00 179.25 179.21 1qck h LYS 72 N 0.55 0.81 -0.45 0.00 3.64 -2.00 -2.22 116.57 116.90 1qck h LYS 72 Ca 0.15 -0.57 -0.14 0.00 -1.27 0.00 0.00 60.65 58.81 1qck h LYS 72 Cb -0.06 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1qck h LYS 72 CO -0.03 1.19 -0.28 1.96 -2.27 0.00 0.00 179.45 180.02 1qck h GLN 73 N 0.56 0.98 -0.49 1.90 4.20 -1.75 -2.88 115.11 117.63 1qck h GLN 73 Ca -0.01 -0.46 -0.12 0.00 0.06 0.00 0.00 58.65 58.12 1qck h GLN 73 Cb 1.23 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.98 1qck h GLN 73 CO 0.13 1.13 -0.15 0.77 -0.67 0.00 0.00 178.83 180.04 1qck h SER 74 N 0.83 0.95 -0.87 1.46 0.02 -1.25 -2.78 113.55 111.90 1qck h SER 74 Ca 0.09 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1qck h SER 74 Cb 0.87 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1qck h SER 74 CO 0.08 1.09 0.58 0.03 -1.14 0.00 0.00 176.83 177.47 1qck h ARG 75 N 0.83 1.15 -0.53 3.45 2.47 -1.31 -1.89 114.38 118.54 1qck h ARG 75 Ca 0.12 -0.07 -0.12 0.00 -1.26 0.00 0.00 59.98 58.65 1qck h ARG 75 Cb 0.70 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 1qck h ARG 75 CO 0.05 0.76 -0.13 -0.44 0.56 0.00 0.00 179.97 180.77 1qck h ASP 76 N 1.18 1.04 -0.58 7.04 3.32 -1.29 -2.91 116.42 124.23 1qck h ASP 76 Ca 0.32 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 1qck h ASP 76 Cb -0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.11 1qck h ASP 76 CO -0.07 1.16 -0.06 0.00 -1.72 0.00 0.00 179.24 178.55 1qck h PHE 78 N 0.95 -1.30 -0.35 0.00 3.57 -1.24 0.32 116.94 118.90 1qck h PHE 78 Ca 0.16 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1qck h PHE 78 Cb 0.63 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1qck h PHE 78 CO 0.04 -0.77 0.17 0.78 -2.23 0.00 0.00 178.31 176.31 1qck h GLY 79 N -1.30 0.51 0.55 2.40 0.00 -1.55 0.66 103.07 104.33 1qck h GLY 79 Ca -0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1qck h GLY 79 CO 0.17 0.21 -0.00 0.00 0.00 0.00 0.00 176.54 176.92 1qck h LEU 81 N -0.45 1.01 -0.71 0.00 3.38 -0.11 -1.93 115.31 116.50 1qck h LEU 81 Ca 0.00 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1qck h LEU 81 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1qck h LEU 81 CO 0.00 1.28 0.28 -0.09 0.09 0.00 0.00 178.44 180.01 1qck h ARG 82 N 0.75 1.06 -0.23 1.13 2.43 0.34 -1.96 114.38 117.91 1qck h ARG 82 Ca 0.05 -0.19 -0.14 0.00 -0.81 0.00 0.00 59.98 58.89 1qck h ARG 82 Cb 1.02 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1qck h ARG 82 CO 0.10 0.88 -0.44 0.93 -1.51 0.00 0.00 179.97 179.93 1qck h GLU 83 N 1.02 0.56 -0.61 0.20 5.08 -0.53 -1.45 114.58 118.85 1qck h GLU 83 Ca 0.24 -0.30 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1qck h GLU 83 Cb 0.21 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1qck h GLU 83 CO -0.02 0.89 0.41 2.35 -1.00 0.00 0.00 179.01 181.64 1qck h TRP 84 N 0.46 0.77 -0.95 4.33 7.01 -1.02 -0.70 115.95 125.85 1qck h TRP 84 Ca 0.03 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.04 1qck h TRP 84 Cb 0.95 -0.26 -0.05 0.00 -2.10 0.00 0.00 29.16 27.70 1qck h TRP 84 CO 0.04 0.49 0.56 0.00 -2.79 0.00 0.00 178.44 176.74 1qck h ASP 86 N 1.31 0.88 0.25 0.00 3.32 -0.09 -2.68 116.42 119.40 1qck h ASP 86 Ca 0.34 -0.04 -0.34 0.00 0.02 0.00 0.00 57.03 57.01 1qck h ASP 86 Cb -0.05 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1qck h ASP 86 CO -0.06 0.67 -1.80 0.00 -1.72 0.00 0.00 179.24 176.32 1qck h ALA 87 N 1.49 0.35 -3.00 3.45 0.00 -0.31 -3.45 119.26 117.78 1qck h ALA 87 Ca 0.27 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1qck h ALA 87 Cb -0.07 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1qck h ALA 87 CO -0.05 1.22 0.00 1.19 0.00 0.00 0.00 179.25 181.60 1qck n PHE 88 N -3.47 0.00 1.95 0.00 3.72 0.24 -5.10 117.46 114.80 1qck n PHE 88 Ca -0.25 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.31 1qck n PHE 88 Cb 1.06 0.00 0.91 0.00 -0.94 0.00 0.00 39.48 40.51 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60