#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 0.23 -1.43 2.03 5.66 -1.26 -4.88 114.28 114.63 1qck n THR 2 Ca 0.00 -0.26 -0.29 0.00 -3.05 0.00 0.00 64.05 60.45 1qck n THR 2 Cb 0.00 0.13 0.15 0.00 -1.55 0.00 0.00 70.33 69.06 1qck n THR 2 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1qck s THR 3 N -1.77 2.04 1.26 1.09 -4.23 -1.26 -5.02 115.64 107.75 1qck s THR 3 Ca 0.21 0.01 -0.17 0.00 -1.18 0.00 0.00 61.69 60.56 1qck s THR 3 Cb 0.11 -2.69 0.32 0.00 1.34 0.00 0.00 72.50 71.58 1qck s THR 3 CO 0.15 -0.02 0.99 -0.55 -0.54 0.00 0.00 174.62 174.66 1qck s SER 4 N -3.86 0.21 0.66 3.99 0.15 -1.26 -4.82 113.70 108.77 1qck s SER 4 Ca 0.64 1.22 0.42 0.00 0.70 0.00 0.00 55.95 58.94 1qck s SER 4 Cb -0.16 -1.85 2.34 0.00 -1.71 0.00 0.00 66.02 64.64 1qck s SER 4 CO 0.55 -4.63 2.36 1.56 1.20 0.00 0.00 173.24 174.27 1qck h GLN 5 N -2.92 0.00 -0.85 5.44 1.08 -1.97 -2.28 115.11 113.60 1qck h GLN 5 Ca -0.55 0.00 0.01 0.00 -1.45 0.00 0.00 58.65 56.65 1qck h GLN 5 Cb 1.34 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.73 1qck h GLN 5 CO 0.43 0.00 0.56 0.87 -0.95 0.00 0.00 178.83 179.74 1qck h LYS 6 N 0.00 1.13 0.17 1.46 1.79 -1.92 0.13 116.57 119.32 1qck h LYS 6 Ca 0.00 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 1qck h LYS 6 Cb 0.00 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.40 1qck h LYS 6 CO -0.00 0.75 -0.08 1.25 -1.08 0.00 0.00 179.45 180.28 1qck h HIS 7 N 1.16 -0.22 -0.20 -1.35 2.76 -1.73 0.33 115.15 115.91 1qck h HIS 7 Ca 0.31 -0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.34 1qck h HIS 7 Cb -0.13 0.07 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1qck h HIS 7 CO 0.00 -0.13 -0.45 0.00 -1.30 0.00 0.00 177.93 176.05 1qck h ARG 8 N -0.23 0.49 -0.51 5.26 3.08 -1.65 -2.67 114.38 118.14 1qck h ARG 8 Ca -0.02 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.64 1qck h ARG 8 Cb 0.18 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1qck h ARG 8 CO 0.04 0.84 -0.17 -0.44 -1.07 0.00 0.00 179.97 179.17 1qck h ASP 9 N 0.40 1.04 -0.13 7.04 3.32 -0.50 0.19 116.42 127.77 1qck h ASP 9 Ca 0.03 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.69 1qck h ASP 9 Cb 0.95 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1qck h ASP 9 CO 0.08 1.18 0.04 0.15 -1.72 0.00 0.00 179.24 178.97 1qck h PHE 10 N 0.89 0.22 -0.20 4.55 3.57 -0.24 -2.69 116.94 123.04 1qck h PHE 10 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1qck h PHE 10 Cb 0.75 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.43 1qck h PHE 10 CO 0.05 0.34 0.00 1.33 -2.23 0.00 0.00 178.31 177.80 1qck n VAL 11 N -4.86 0.27 0.30 1.41 0.24 -1.02 -3.60 118.33 111.08 1qck n VAL 11 Ca -0.05 -0.30 0.11 0.00 -2.04 0.00 0.00 64.34 62.06 1qck n VAL 11 Cb 0.15 0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.54 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 0.14 3.38 -3.33 2.33 0.00 0.05 -4.97 120.51 118.11 1qck n ALA 12 Ca 0.11 -0.53 -0.15 0.00 0.00 0.00 0.00 53.44 52.87 1qck n ALA 12 Cb 0.22 -0.77 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 -3.36 0.95 0.56 0.00 -1.05 -1.17 -5.06 118.70 109.57 1qck s GLU 13 Ca -0.03 -0.11 -0.14 0.00 -0.15 0.00 0.00 54.97 54.55 1qck s GLU 13 Cb 0.14 0.44 -0.12 0.00 -0.44 0.00 0.00 34.13 34.16 1qck s GLU 13 CO 0.89 -0.32 -0.33 -2.30 0.95 0.00 0.00 175.26 174.16 1qck n PRO 14 N 0.73 0.00 0.05 -4.83 -0.02 -1.26 -4.76 135.00 124.90 1qck n PRO 14 Ca -0.19 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 61.33 1qck n PRO 14 Cb 0.58 -0.77 -0.07 0.00 -0.02 0.00 0.00 33.50 33.22 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 1.50 0.62 0.00 -0.52 0.00 -1.26 -5.00 117.12 112.46 1qck n MET 15 Ca 0.03 0.16 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1qck n MET 15 Cb 0.39 -1.78 0.00 0.00 0.00 0.00 0.00 33.22 31.83 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 1.33 2.66 2.08 3.17 0.00 -1.26 -2.32 105.19 110.85 1qck n GLY 16 Ca -0.07 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 3.00 -1.73 1.61 1.02 -1.26 -4.67 120.64 132.62 1qck n GLU 17 Ca 0.00 -3.66 -0.37 0.00 -0.02 0.00 0.00 57.16 53.11 1qck n GLU 17 Cb 0.00 -2.24 0.07 0.00 -0.02 0.00 0.00 31.44 29.25 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 -0.85 1.12 -1.84 3.49 5.02 -0.98 -4.78 118.16 119.33 1qck n LYS 18 Ca 0.52 0.44 -0.37 0.00 -2.02 0.00 0.00 58.31 56.88 1qck n LYS 18 Cb 0.86 -2.53 0.05 0.00 -0.02 0.00 0.00 35.03 33.38 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 -3.37 2.86 0.53 1.97 0.04 -1.26 -2.22 135.00 133.55 1qck s PRO 19 Ca 0.83 2.04 0.29 0.00 0.04 0.00 0.00 61.00 64.19 1qck s PRO 19 Cb -0.38 -2.00 1.44 0.00 0.04 0.00 0.00 34.50 33.61 1qck s PRO 19 CO 0.40 -1.35 1.94 -0.24 0.04 0.00 0.00 177.00 177.79 1qck h VAL 20 N 0.92 0.64 0.00 -0.36 3.04 -1.80 0.36 116.25 119.05 1qck h VAL 20 Ca -0.51 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1qck h VAL 20 Cb 1.31 0.63 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 1qck h VAL 20 CO 0.55 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.72 1qck n GLY 21 N -1.68 -0.91 0.18 3.17 0.00 -1.26 -2.74 105.19 101.94 1qck n GLY 21 Ca 0.14 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.15 1qck n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1qck h SER 22 N 0.00 0.00 -3.41 1.61 0.87 -0.52 -3.44 113.55 108.66 1qck h SER 22 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1qck h SER 22 Cb 0.13 0.00 0.07 0.00 -0.44 0.00 0.00 62.40 62.16 1qck h SER 22 CO 0.00 0.08 0.82 -0.76 -0.53 0.00 0.00 176.83 176.44 1qck s LEU 23 N -5.98 4.36 0.23 2.23 1.43 -1.11 -4.89 118.68 114.96 1qck s LEU 23 Ca 0.04 2.84 -0.31 0.00 -1.03 0.00 0.00 54.13 55.68 1qck s LEU 23 Cb 0.07 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1qck s LEU 23 CO 0.72 -0.82 1.53 0.00 0.23 0.00 0.00 176.35 178.01 1qck s ALA 24 N -0.12 3.72 0.00 4.21 0.00 -1.26 -1.71 121.76 126.60 1qck s ALA 24 Ca 0.61 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.97 1qck s ALA 24 Cb -0.45 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.06 1qck s ALA 24 CO 0.47 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1qck n GLY 25 N 2.78 3.44 3.50 0.00 0.00 -1.26 -3.00 105.19 110.65 1qck n GLY 25 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.77 5.21 0.71 -0.61 -1.09 -0.69 -4.82 121.20 117.14 1qck s ILE 26 Ca 0.00 -0.29 -0.00 0.00 -2.23 0.00 0.00 60.65 58.13 1qck s ILE 26 Cb 0.00 -3.87 0.13 0.00 -1.58 0.00 0.00 42.46 37.14 1qck s ILE 26 CO 0.00 -0.20 0.98 -0.83 -1.23 0.00 0.00 174.94 173.66 1qck s GLY 27 N 1.73 1.76 0.27 6.18 0.00 -1.26 -4.63 107.32 111.37 1qck s GLY 27 Ca 0.09 -1.78 -0.02 0.00 0.00 0.00 0.00 44.72 43.01 1qck s GLY 27 CO 0.11 -1.21 1.87 0.83 0.00 0.00 0.00 173.10 174.71 1qck h GLU 28 N -0.49 1.11 -0.28 2.90 5.08 -1.98 0.31 114.58 121.24 1qck h GLU 28 Ca -0.36 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 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 0.40 0.74 -0.06 0.28 -1.00 0.00 0.00 179.01 179.36 1qck h VAL 29 N 1.15 1.28 -0.47 3.13 2.07 -2.00 -2.65 116.25 118.75 1qck h VAL 29 Ca 0.45 -1.08 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 1qck h VAL 29 Cb 0.23 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1qck h VAL 29 CO -0.19 0.34 -0.11 -0.07 0.02 0.00 0.00 177.57 177.56 1qck h LEU 30 N 0.29 0.85 -1.15 2.57 3.38 -1.74 -2.69 115.31 116.83 1qck h LEU 30 Ca 0.07 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1qck h LEU 30 Cb 0.54 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.00 1qck h LEU 30 CO 0.03 0.98 0.58 1.23 0.09 0.00 0.00 178.44 181.35 1qck h GLY 31 N 0.97 1.28 1.14 0.83 0.00 -0.28 -1.97 103.07 105.05 1qck h GLY 31 Ca 0.13 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1qck h GLY 31 CO 0.04 0.36 0.15 0.50 0.00 0.00 0.00 176.54 177.59 1qck h LYS 32 N 1.09 1.06 -0.30 4.80 1.57 -1.14 -1.27 116.57 122.38 1qck h LYS 32 Ca 0.36 -0.25 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1qck h LYS 32 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1qck h LYS 32 CO -0.12 0.94 -0.05 0.87 -0.57 0.00 0.00 179.45 180.52 1qck h LYS 33 N 1.00 0.57 -0.84 3.15 1.57 -1.27 -1.82 116.57 118.94 1qck h LYS 33 Ca 0.21 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1qck h LYS 33 Cb 0.37 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1qck h LYS 33 CO 0.00 0.75 0.39 -0.07 -0.57 0.00 0.00 179.45 179.96 1qck h LEU 34 N 0.35 1.11 -0.76 2.94 3.38 -1.33 -2.19 115.31 118.80 1qck h LEU 34 Ca 0.08 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1qck h LEU 34 Cb 0.53 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1qck h LEU 34 CO 0.03 0.95 0.51 -0.08 0.09 0.00 0.00 178.44 179.93 1qck h GLU 35 N 1.21 1.00 0.00 1.13 4.81 -0.99 0.83 114.58 122.58 1qck h GLU 35 Ca 0.29 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1qck h GLU 35 Cb 0.14 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1qck h GLU 35 CO -0.03 0.66 0.00 0.93 -0.73 0.00 0.00 179.01 179.84 1qck h GLU 36 N 1.03 0.00 -0.09 1.92 4.39 -0.82 -1.12 114.58 119.89 1qck h GLU 36 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1qck h GLU 36 Cb -0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1qck h GLU 36 CO -0.06 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.33 1qck n ARG 37 N -3.01 1.78 -0.16 2.33 5.12 0.21 -4.90 116.66 118.04 1qck n ARG 37 Ca -0.01 -1.15 0.00 0.00 -1.93 0.00 0.00 57.85 54.76 1qck n ARG 37 Cb 0.21 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 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 1.19 1.23 2.31 -0.13 0.00 -0.43 -5.06 105.19 104.30 1qck n GLY 38 Ca 0.18 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.43 1.12 0.84 1.61 3.01 -0.74 -4.91 117.46 117.96 1qck n PHE 39 Ca 0.00 -3.78 0.12 0.00 1.01 0.00 0.00 57.45 54.80 1qck n PHE 39 Cb 0.03 -0.40 0.53 0.00 -0.01 0.00 0.00 39.48 39.64 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 1.32 0.09 -4.19 4.37 5.75 -1.26 -3.72 116.55 118.90 1qck n ASP 40 Ca 0.25 0.51 -0.17 0.00 -0.01 0.00 0.00 54.79 55.37 1qck n ASP 40 Cb 0.48 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.92 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 0.88 0.19 0.11 -0.14 -1.26 -4.27 119.74 112.23 1qck s LYS 41 Ca 0.12 -1.10 -0.09 0.00 -1.36 0.00 0.00 55.97 53.54 1qck s LYS 41 Cb 0.16 -0.73 0.08 0.00 -1.68 0.00 0.00 37.83 35.66 1qck s LYS 41 CO 0.47 0.14 1.65 0.00 -0.76 0.00 0.00 175.35 176.85 1qck h ALA 42 N 3.83 0.85 0.00 5.17 0.00 -1.64 -2.80 119.26 124.66 1qck h ALA 42 Ca -0.39 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1qck h ALA 42 Cb 1.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1qck h ALA 42 CO 0.47 0.67 0.15 0.10 0.00 0.00 0.00 179.25 180.65 1qck h TYR 43 N 0.99 0.00 0.00 0.00 -0.00 -1.83 0.30 116.97 116.43 1qck h TYR 43 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 58.73 58.70 1qck h TYR 43 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.25 1qck h TYR 43 CO 0.04 0.00 -0.99 0.28 -0.00 0.00 0.00 178.16 177.49 1qck h VAL 44 N 0.00 1.71 0.01 -0.90 2.07 -1.89 -2.94 116.25 114.30 1qck h VAL 44 Ca 0.00 -3.39 -0.24 0.00 0.82 0.00 0.00 66.70 63.89 1qck h VAL 44 Cb 0.30 2.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.91 1qck h VAL 44 CO 0.00 0.97 -0.98 0.58 0.02 0.00 0.00 177.57 178.15 1qck h VAL 45 N 0.00 1.37 -0.94 2.57 2.07 -0.54 -3.01 116.25 117.78 1qck h VAL 45 Ca -0.01 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.10 1qck h VAL 45 Cb 1.75 2.44 -0.05 0.00 -1.52 0.00 0.00 31.29 33.91 1qck h VAL 45 CO 0.13 0.73 0.62 0.25 0.02 0.00 0.00 177.57 179.32 1qck h LEU 46 N 0.26 1.08 -0.68 2.57 5.85 -1.36 -1.86 115.31 121.17 1qck h LEU 46 Ca -0.10 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.64 1qck h LEU 46 Cb 1.63 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 1qck h LEU 46 CO 0.18 0.78 0.40 1.23 -0.34 0.00 0.00 178.44 180.69 1qck h GLY 47 N 1.27 0.99 1.01 3.75 0.00 -1.39 -0.79 103.07 107.90 1qck h GLY 47 Ca 0.34 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.39 1qck h GLY 47 CO -0.07 0.22 0.49 -1.61 0.00 0.00 0.00 176.54 175.56 1qck h GLN 48 N 0.76 0.97 -0.78 4.80 5.75 -1.27 0.27 115.11 125.62 1qck h GLN 48 Ca 0.29 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1qck h GLN 48 Cb 0.10 -0.22 -0.04 0.00 1.07 0.00 0.00 27.48 28.40 1qck h GLN 48 CO -0.14 0.64 0.52 0.35 -2.65 0.00 0.00 178.83 177.55 1qck h PHE 49 N 1.00 0.98 -0.36 3.99 3.57 -0.99 -1.17 116.94 123.96 1qck h PHE 49 Ca 0.27 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 1qck h PHE 49 Cb -0.12 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.28 1qck h PHE 49 CO -0.02 0.62 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.28 1qck h LEU 50 N 1.06 0.84 -1.98 0.59 3.38 -0.33 -2.58 115.31 116.29 1qck h LEU 50 Ca 0.29 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1qck h LEU 50 Cb -0.12 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1qck h LEU 50 CO -0.06 1.09 -0.08 0.58 0.09 0.00 0.00 178.44 180.06 1qck h VAL 51 N 0.67 0.34 -0.39 1.22 2.07 0.31 -1.79 116.25 118.68 1qck h VAL 51 Ca 0.07 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1qck h VAL 51 Cb 0.87 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1qck h VAL 51 CO 0.08 0.08 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1qck n LEU 52 N -3.41 3.47 -4.00 2.57 4.77 -0.52 -4.90 117.00 114.98 1qck n LEU 52 Ca -0.01 -1.75 -0.32 0.00 -0.03 0.00 0.00 56.01 53.89 1qck n LEU 52 Cb 0.23 -0.52 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1qck n LEU 52 CO 0.28 0.53 0.04 0.29 -1.33 0.00 0.00 177.39 177.19 1qck n LYS 53 N 0.54 -4.27 -1.48 3.23 5.02 -0.67 0.28 118.16 120.81 1qck n LYS 53 Ca 0.17 0.49 -0.17 0.00 -2.02 0.00 0.00 58.31 56.77 1qck n LYS 53 Cb 0.69 -5.30 -0.07 0.00 -0.02 0.00 0.00 35.03 30.34 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 -4.46 -1.44 -2.10 1.97 5.02 -1.11 -4.87 118.16 111.17 1qck n LYS 54 Ca 0.06 1.03 -0.42 0.00 -2.02 0.00 0.00 58.31 56.95 1qck n LYS 54 Cb 0.51 -5.36 -0.03 0.00 -0.02 0.00 0.00 35.03 30.14 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 -2.48 5.93 0.24 4.39 -1.08 0.14 -4.86 116.67 118.95 1qck s ASP 55 Ca 0.00 1.04 -0.07 0.00 -0.52 0.00 0.00 52.55 53.01 1qck s ASP 55 Cb 0.00 -2.53 0.23 0.00 -1.46 0.00 0.00 42.92 39.16 1qck s ASP 55 CO 0.00 -1.72 1.88 -0.08 0.52 0.00 0.00 175.17 175.77 1qck h GLU 56 N 12.55 1.29 -0.43 4.34 4.81 -1.89 -0.91 114.58 134.35 1qck h GLU 56 Ca -0.31 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 58.65 1qck h GLU 56 Cb 1.15 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 1qck h GLU 56 CO 1.07 0.91 -0.31 -0.44 -0.73 0.00 0.00 179.01 179.51 1qck h ASP 57 N 1.31 1.01 -0.29 1.04 3.32 -1.98 -0.35 116.42 120.47 1qck h ASP 57 Ca 0.34 -0.43 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 1qck h ASP 57 Cb -0.04 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1qck h ASP 57 CO -0.06 1.23 -0.44 -0.07 -1.72 0.00 0.00 179.24 178.18 1qck h LEU 58 N 0.80 0.93 0.01 1.55 3.38 -1.90 -1.97 115.31 118.11 1qck h LEU 58 Ca 0.08 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 1qck h LEU 58 Cb 0.90 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1qck h LEU 58 CO 0.08 1.23 -0.00 0.15 0.09 0.00 0.00 178.44 179.99 1qck h PHE 59 N 0.69 -0.01 -0.37 1.13 3.57 -1.04 0.53 116.94 121.44 1qck h PHE 59 Ca 0.04 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1qck h PHE 59 Cb 1.02 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1qck h PHE 59 CO 0.06 0.18 0.24 0.00 -2.23 0.00 0.00 178.31 176.57 1qck h ARG 60 N -0.20 0.48 -0.55 1.11 3.08 -1.05 0.10 114.38 117.35 1qck h ARG 60 Ca -0.00 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1qck h ARG 60 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1qck h ARG 60 CO 0.00 0.32 0.00 1.49 -1.07 0.00 0.00 179.97 180.71 1qck h GLU 61 N 0.50 0.95 -0.10 0.04 4.81 -1.30 -0.33 114.58 119.14 1qck h GLU 61 Ca 0.14 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.07 1qck h GLU 61 Cb -0.05 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 1qck h GLU 61 CO -0.03 0.94 0.00 2.35 -0.73 0.00 0.00 179.01 181.54 1qck h TRP 62 N 0.87 0.20 -0.23 0.92 7.01 -0.37 0.43 115.95 124.79 1qck h TRP 62 Ca 0.16 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 1qck h TRP 62 Cb 0.51 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 1qck h TRP 62 CO 0.03 0.42 -0.00 1.25 -2.79 0.00 0.00 178.44 177.36 1qck h LEU 63 N -0.09 0.39 -0.35 0.65 5.85 -0.74 1.02 115.31 122.05 1qck h LEU 63 Ca 0.03 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1qck h LEU 63 Cb 0.34 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1qck h LEU 63 CO 0.00 0.61 0.15 0.50 -0.34 0.00 0.00 178.44 179.36 1qck h LYS 64 N 0.17 0.52 -0.07 1.25 3.64 -1.05 0.19 116.57 121.21 1qck h LYS 64 Ca 0.06 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1qck h LYS 64 Cb 0.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1qck h LYS 64 CO 0.01 0.49 -0.46 0.22 -2.27 0.00 0.00 179.45 177.44 1qck h ASP 65 N 0.42 0.19 0.88 4.20 1.82 0.01 0.77 116.42 124.71 1qck h ASP 65 Ca 0.12 -0.09 -0.23 0.00 -0.39 0.00 0.00 57.03 56.44 1qck h ASP 65 Cb 0.16 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.10 1qck h ASP 65 CO -0.01 0.63 -1.09 0.74 -1.61 0.00 0.00 179.24 177.89 1qck h THR 66 N 0.15 1.63 0.00 2.25 2.02 0.15 -3.42 112.91 115.69 1qck h THR 66 Ca 0.01 -3.30 0.00 0.00 0.77 0.00 0.00 66.41 63.89 1qck h THR 66 Cb 0.87 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 70.14 1qck h THR 66 CO 0.07 0.94 -0.36 0.00 0.37 0.00 0.00 175.52 176.53 1qck n GLY 68 N 1.20 1.11 3.45 0.00 0.00 0.27 -5.01 105.19 106.20 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 -1.66 -1.63 -1.98 4.61 0.00 -1.25 -4.92 120.51 113.68 1qck n ALA 69 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 1qck n ALA 69 Cb 0.00 -1.82 0.08 0.00 0.00 0.00 0.00 19.45 17.71 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 -1.43 4.74 0.33 0.00 -0.87 -1.26 -4.57 114.94 111.88 1qck s ASN 70 Ca 0.65 -0.19 0.00 0.00 -1.57 0.00 0.00 52.86 51.76 1qck s ASN 70 Cb -0.36 -0.41 0.56 0.00 -0.02 0.00 0.00 41.25 41.02 1qck s ASN 70 CO 0.59 -1.56 1.99 0.00 -2.57 0.00 0.00 177.10 175.55 1qck h ALA 71 N -0.29 1.49 -0.04 0.60 0.00 -1.99 -0.58 119.26 118.45 1qck h ALA 71 Ca -0.39 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.23 1qck h ALA 71 Cb 1.28 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.79 1qck h ALA 71 CO 0.46 0.47 -0.92 1.57 0.00 0.00 0.00 179.25 180.83 1qck h LYS 72 N 0.97 0.61 -0.49 0.00 2.10 -2.00 -2.83 116.57 114.93 1qck h LYS 72 Ca 0.26 -0.60 -0.11 0.00 -2.00 0.00 0.00 60.65 58.20 1qck h LYS 72 Cb -0.11 0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.36 1qck h LYS 72 CO -0.06 1.21 -0.13 1.96 -2.00 0.00 0.00 179.45 180.43 1qck h GLN 73 N 0.37 0.92 -0.43 0.07 1.08 -1.79 -2.93 115.11 112.40 1qck h GLN 73 Ca -0.09 -0.34 -0.11 0.00 -1.45 0.00 0.00 58.65 56.67 1qck h GLN 73 Cb 1.56 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.91 1qck h GLN 73 CO 0.18 0.99 -0.16 0.66 -0.95 0.00 0.00 178.83 179.55 1qck h SER 74 N 0.82 0.82 -0.83 1.46 4.64 -1.14 -2.85 113.55 116.46 1qck h SER 74 Ca 0.13 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1qck h SER 74 Cb 0.67 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 1qck h SER 74 CO 0.05 0.97 0.53 0.03 -0.87 0.00 0.00 176.83 177.54 1qck h ARG 75 N 0.72 1.11 -0.53 4.77 2.47 -1.32 -1.85 114.38 119.76 1qck h ARG 75 Ca 0.11 -0.08 -0.12 0.00 -1.26 0.00 0.00 59.98 58.63 1qck h ARG 75 Cb 0.66 -0.24 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 1qck h ARG 75 CO 0.05 0.75 -0.15 -0.44 0.56 0.00 0.00 179.97 180.74 1qck h ASP 76 N 1.13 1.04 -0.43 7.04 3.32 -1.38 -2.88 116.42 124.26 1qck h ASP 76 Ca 0.30 -0.37 -0.15 0.00 0.02 0.00 0.00 57.03 56.84 1qck h ASP 76 Cb -0.10 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 1qck h ASP 76 CO -0.06 1.17 -0.31 0.00 -1.72 0.00 0.00 179.24 178.31 1qck h PHE 78 N 0.81 -1.23 -0.22 0.00 3.57 -1.27 0.30 116.94 118.91 1qck h PHE 78 Ca 0.08 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1qck h PHE 78 Cb 0.90 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 40.05 1qck h PHE 78 CO 0.06 -0.74 0.05 0.78 -2.23 0.00 0.00 178.31 176.23 1qck h GLY 79 N -1.28 0.33 0.62 2.40 0.00 -1.58 0.37 103.07 103.93 1qck h GLY 79 Ca -0.13 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1qck h GLY 79 CO 0.19 0.15 -0.11 0.00 0.00 0.00 0.00 176.54 176.77 1qck h LEU 81 N -0.26 1.00 -0.78 0.00 3.38 -0.11 -2.32 115.31 116.22 1qck h LEU 81 Ca 0.01 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1qck h LEU 81 Cb 0.66 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1qck h LEU 81 CO 0.03 1.28 0.27 -0.09 0.09 0.00 0.00 178.44 180.02 1qck h ARG 82 N 0.74 1.19 -0.34 1.13 2.43 -0.27 -2.34 114.38 116.93 1qck h ARG 82 Ca 0.05 -0.24 -0.14 0.00 -0.81 0.00 0.00 59.98 58.84 1qck h ARG 82 Cb 1.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1qck h ARG 82 CO 0.10 0.98 -0.37 0.93 -1.51 0.00 0.00 179.97 180.11 1qck h GLU 83 N 1.15 0.79 -0.46 0.20 4.39 -0.94 -1.69 114.58 118.02 1qck h GLU 83 Ca 0.25 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1qck h GLU 83 Cb 0.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1qck h GLU 83 CO -0.01 1.02 0.30 2.35 -1.16 0.00 0.00 179.01 181.51 1qck h TRP 84 N 0.65 0.58 -1.00 4.33 7.01 -1.18 -1.64 115.95 124.70 1qck h TRP 84 Ca 0.06 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1qck h TRP 84 Cb 0.92 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.73 1qck h TRP 84 CO 0.05 0.36 0.66 0.00 -2.79 0.00 0.00 178.44 176.73 1qck h ASP 86 N 1.35 0.53 0.21 0.00 3.32 -0.41 2.23 116.42 123.66 1qck h ASP 86 Ca 0.37 -0.01 -0.35 0.00 0.02 0.00 0.00 57.03 57.06 1qck h ASP 86 Cb -0.16 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1qck h ASP 86 CO -0.08 0.39 -1.99 0.00 -1.72 0.00 0.00 179.24 175.83 1qck n ALA 87 N -2.47 1.17 0.49 3.45 0.00 -0.56 -4.40 120.51 118.19 1qck n ALA 87 Ca 0.04 -0.75 0.07 0.00 0.00 0.00 0.00 53.44 52.80 1qck n ALA 87 Cb 0.06 -0.63 0.08 0.00 0.00 0.00 0.00 19.45 18.95 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 -3.28 0.09 -1.23 0.00 3.72 0.21 -5.11 117.46 111.86 1qck n PHE 88 Ca -0.29 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 1qck n PHE 88 Cb 1.05 -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